#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 -0.00 -1.26 -5.02 115.22 108.70 3b6p n HIS 10 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.33 3b6p n HIS 10 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 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 -1.15 2.66 0.21 -0.41 1.00 -1.26 -4.23 119.30 116.12 3b6p s MET 11 Ca 0.00 1.14 0.11 0.00 0.00 0.00 0.00 55.69 56.94 3b6p s MET 11 Cb 0.00 -4.40 0.00 0.00 0.00 0.00 0.00 34.83 30.43 3b6p s MET 11 CO 0.00 -2.66 1.40 1.96 0.00 0.00 0.00 175.02 175.73 3b6p h GLN 12 N 15.90 0.00 -4.14 2.03 1.08 -1.72 -3.42 115.11 124.84 3b6p h GLN 12 Ca -0.28 0.00 -0.44 0.00 -1.45 0.00 0.00 58.65 56.47 3b6p h GLN 12 Cb 1.20 0.00 -0.34 0.00 -0.05 0.00 0.00 27.48 28.29 3b6p h GLN 12 CO 1.14 0.74 -0.78 0.99 -0.95 0.00 0.00 178.83 179.97 3b6p s THR 13 N -2.94 0.70 -0.24 -0.54 2.01 -1.16 0.07 115.64 113.54 3b6p s THR 13 Ca 0.02 -0.20 -0.08 0.00 0.31 0.00 0.00 61.69 61.74 3b6p s THR 13 Cb 0.09 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 3b6p s THR 13 CO 0.78 0.27 0.08 -0.76 -0.69 0.00 0.00 174.62 174.29 3b6p s LEU 14 N 0.98 3.56 -0.44 4.42 1.43 -0.07 -1.42 118.68 127.14 3b6p s LEU 14 Ca -0.10 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 3b6p s LEU 14 Cb -0.14 -1.95 0.08 0.00 0.03 0.00 0.00 46.19 44.21 3b6p s LEU 14 CO 0.00 0.01 0.30 -0.63 0.23 0.00 0.00 176.35 176.26 3b6p s ILE 15 N 1.38 4.51 -0.01 -0.59 1.01 0.30 -0.84 121.20 126.97 3b6p s ILE 15 Ca 0.05 -1.33 -0.30 0.00 0.00 0.00 0.00 60.65 59.07 3b6p s ILE 15 Cb -0.15 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 3b6p s ILE 15 CO 0.04 -0.55 1.26 -0.36 0.00 0.00 0.00 174.94 175.34 3b6p s PHE 16 N 1.48 3.15 0.01 3.97 0.08 0.54 -0.43 117.98 126.78 3b6p s PHE 16 Ca 0.03 1.11 0.05 0.00 0.12 0.00 0.00 56.93 58.24 3b6p s PHE 16 Cb -0.24 -3.50 -0.02 0.00 -0.57 0.00 0.00 43.02 38.70 3b6p s PHE 16 CO 0.03 -1.67 -0.15 -1.17 -0.10 0.00 0.00 175.22 172.15 3b6p s LEU 17 N 1.97 2.08 -0.11 -0.37 1.98 0.10 -0.51 118.68 123.82 3b6p s LEU 17 Ca 0.59 -0.34 -0.11 0.00 -2.89 0.00 0.00 54.13 51.38 3b6p s LEU 17 Cb -0.28 -0.76 0.03 0.00 0.66 0.00 0.00 46.19 45.84 3b6p s LEU 17 CO 0.25 0.15 0.31 -0.62 -1.89 0.00 0.00 176.35 174.55 3b6p s ASP 18 N -0.63 -0.32 -0.01 3.68 2.15 -1.05 -4.29 116.67 116.20 3b6p s ASP 18 Ca 0.05 0.61 0.06 0.00 0.43 0.00 0.00 52.55 53.69 3b6p s ASP 18 Cb -0.07 0.62 -0.03 0.00 -0.30 0.00 0.00 42.92 43.15 3b6p s ASP 18 CO 0.00 -0.12 -0.18 -0.76 -0.17 0.00 0.00 175.17 173.94 3b6p s LEU 19 N 0.10 2.54 -0.00 -1.34 1.43 -1.26 -1.82 118.68 118.33 3b6p s LEU 19 Ca -0.01 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3b6p s LEU 19 Cb -0.02 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 3b6p s LEU 19 CO 0.01 0.30 0.01 -1.61 0.23 0.00 0.00 176.35 175.29 3b6p s GLU 20 N -1.00 2.82 0.31 1.70 0.41 0.74 -4.91 118.70 118.76 3b6p s GLU 20 Ca 0.12 -0.60 0.01 0.00 -0.41 0.00 0.00 54.97 54.10 3b6p s GLU 20 Cb -0.10 -2.69 -0.02 0.00 -1.78 0.00 0.00 34.13 29.54 3b6p s GLU 20 CO 0.02 0.63 0.33 0.00 -0.49 0.00 0.00 175.26 175.75 3b6p s ALA 21 N -1.10 1.24 0.15 5.21 0.00 -1.26 0.24 121.76 126.23 3b6p s ALA 21 Ca 0.20 -1.75 0.28 0.00 0.00 0.00 0.00 51.96 50.70 3b6p s ALA 21 Cb -0.12 1.33 1.16 0.00 0.00 0.00 0.00 23.12 25.49 3b6p s ALA 21 CO 0.11 -0.70 1.92 1.79 0.00 0.00 0.00 175.76 178.87 3b6p h THR 22 N 2.23 0.32 0.00 0.00 1.35 -1.67 -3.45 112.91 111.69 3b6p h THR 22 Ca -0.28 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 3b6p h THR 22 Cb 1.24 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 3b6p h THR 22 CO 0.40 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 3b6p n GLY 23 N 0.03 -0.62 3.90 5.82 0.00 -1.26 -0.19 105.19 112.87 3b6p n GLY 23 Ca 0.00 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 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 3.43 0.59 0.99 1.43 -1.26 -4.72 118.68 119.14 3b6p s LEU 24 Ca 0.00 0.96 0.29 0.00 -1.03 0.00 0.00 54.13 54.35 3b6p s LEU 24 Cb 0.00 -3.89 1.47 0.00 0.03 0.00 0.00 46.19 43.80 3b6p s LEU 24 CO 0.00 -0.78 1.89 -0.65 0.23 0.00 0.00 176.35 177.03 3b6p h PRO 25 N -0.01 0.00 0.00 1.29 0.11 -1.98 -0.72 132.00 130.70 3b6p h PRO 25 Ca -0.46 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3b6p h PRO 25 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3b6p h PRO 25 CO 0.62 0.00 -0.36 0.66 -0.21 0.00 0.00 178.00 178.70 3b6p h SER 26 N 0.00 0.00 -0.20 -2.05 4.64 -2.01 -2.92 113.55 111.02 3b6p h SER 26 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3b6p h SER 26 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3b6p h SER 26 CO -0.00 0.36 0.00 -1.54 -0.87 0.00 0.00 176.83 174.78 3b6p n SER 27 N -3.76 1.84 -3.32 4.97 3.41 -0.28 -4.98 113.62 111.51 3b6p n SER 27 Ca -0.01 -1.75 -0.13 0.00 -0.26 0.00 0.00 58.87 56.72 3b6p n SER 27 Cb 0.45 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.44 -1.58 -1.75 4.33 1.74 -1.10 -4.95 116.66 113.79 3b6p n ARG 28 Ca 0.16 1.33 -0.31 0.00 -0.77 0.00 0.00 57.85 58.26 3b6p n ARG 28 Cb 0.35 -4.27 0.03 0.00 -1.02 0.00 0.00 32.46 27.56 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 -3.55 3.19 0.01 5.56 0.04 -1.26 -5.02 135.00 133.98 3b6p s PRO 29 Ca 0.07 0.78 0.08 0.00 0.04 0.00 0.00 61.00 61.97 3b6p s PRO 29 Cb -0.01 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 3b6p s PRO 29 CO 0.81 -0.87 -0.24 -1.21 0.04 0.00 0.00 177.00 175.53 3b6p s GLU 30 N -5.15 1.81 0.22 4.56 2.02 -1.26 -4.91 118.70 115.98 3b6p s GLU 30 Ca 0.57 -0.96 -0.31 0.00 0.02 0.00 0.00 54.97 54.29 3b6p s GLU 30 Cb -0.12 -1.86 -0.10 0.00 0.10 0.00 0.00 34.13 32.15 3b6p s GLU 30 CO 0.54 0.49 1.50 0.08 0.02 0.00 0.00 175.26 177.90 3b6p s VAL 31 N -0.68 2.61 -0.02 2.63 1.01 -1.26 -1.66 120.40 123.02 3b6p s VAL 31 Ca 0.10 0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.63 3b6p s VAL 31 Cb -0.09 -3.30 -0.12 0.00 0.00 0.00 0.00 36.38 32.86 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 3.02 0.06 -3.65 3.92 -2.24 0.14 -4.48 114.28 111.05 3b6p n THR 32 Ca 0.10 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.53 3b6p n THR 32 Cb 0.39 0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 68.73 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 -2.52 0.76 0.03 -0.78 2.12 -0.89 0.37 118.70 117.79 3b6p s GLU 33 Ca -0.03 0.69 0.02 0.00 0.36 0.00 0.00 54.97 56.01 3b6p s GLU 33 Cb 0.05 0.37 -0.02 0.00 0.26 0.00 0.00 34.13 34.79 3b6p s GLU 33 CO 0.33 -0.13 -0.07 -0.48 -0.54 0.00 0.00 175.26 174.37 3b6p s LEU 34 N -0.02 2.21 -0.03 2.70 0.05 -0.39 -0.18 118.68 123.02 3b6p s LEU 34 Ca -0.03 -0.47 0.01 0.00 0.05 0.00 0.00 54.13 53.69 3b6p s LEU 34 Cb -0.04 -0.18 0.02 0.00 -2.05 0.00 0.00 46.19 43.94 3b6p s LEU 34 CO 0.02 -0.15 -0.01 0.00 -0.55 0.00 0.00 176.35 175.66 3b6p s LEU 36 N 0.92 2.38 -0.32 0.00 1.02 0.42 -2.53 118.68 120.56 3b6p s LEU 36 Ca -0.10 -0.52 0.03 0.00 0.02 0.00 0.00 54.13 53.56 3b6p s LEU 36 Cb -0.13 -1.54 0.08 0.00 0.02 0.00 0.00 46.19 44.62 3b6p s LEU 36 CO -0.01 0.06 0.00 -0.22 0.02 0.00 0.00 176.35 176.20 3b6p s LEU 37 N 0.96 4.31 -0.25 1.79 2.96 0.33 -0.95 118.68 127.83 3b6p s LEU 37 Ca -0.03 -1.84 -0.21 0.00 -0.22 0.00 0.00 54.13 51.83 3b6p s LEU 37 Cb -0.15 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 3b6p s LEU 37 CO -0.03 -0.32 0.66 0.00 -1.32 0.00 0.00 176.35 175.34 3b6p s ALA 38 N 1.01 3.62 -0.10 5.97 0.00 0.67 -0.34 121.76 132.58 3b6p s ALA 38 Ca 0.03 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 51.63 3b6p s ALA 38 Cb -0.20 -3.07 0.01 0.00 0.00 0.00 0.00 23.12 19.86 3b6p s ALA 38 CO -0.06 -0.83 -0.18 0.08 0.00 0.00 0.00 175.76 174.77 3b6p s VAL 39 N 2.55 1.67 0.57 0.00 1.01 -0.02 -2.35 120.40 123.85 3b6p s VAL 39 Ca 0.27 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 3b6p s VAL 39 Cb -0.15 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3b6p s VAL 39 CO 0.08 0.47 1.15 -2.28 0.00 0.00 0.00 175.10 174.53 3b6p s HIS 40 N 0.73 2.56 0.25 5.22 2.46 -1.26 -0.89 115.29 124.36 3b6p s HIS 40 Ca -0.11 1.54 -0.03 0.00 0.47 0.00 0.00 55.06 56.92 3b6p s HIS 40 Cb -0.16 -3.34 0.51 0.00 -0.13 0.00 0.00 32.58 29.46 3b6p s HIS 40 CO 0.02 -1.81 1.70 -0.09 -2.47 0.00 0.00 174.74 172.09 3b6p h ARG 41 N 0.95 0.34 -0.05 2.88 2.43 -0.62 -2.18 114.38 118.13 3b6p h ARG 41 Ca -0.50 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 58.53 3b6p h ARG 41 Cb 1.27 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 3b6p h ARG 41 CO 0.56 0.22 -0.53 -0.09 -1.51 0.00 0.00 179.97 178.62 3b6p h ARG 42 N 0.35 0.13 -0.15 0.20 9.65 -1.92 -2.82 114.38 119.81 3b6p h ARG 42 Ca 0.44 -0.08 -0.04 0.00 -1.10 0.00 0.00 59.98 59.20 3b6p h ARG 42 Cb 0.75 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.33 3b6p h ARG 42 CO -0.48 0.63 -0.10 0.00 2.80 0.00 0.00 179.97 182.82 3b6p h ALA 43 N 1.36 1.56 -0.03 2.80 0.00 -1.77 -0.96 119.26 122.21 3b6p h ALA 43 Ca -0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3b6p h ALA 43 Cb 0.97 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3b6p h ALA 43 CO 0.08 0.32 -0.25 -0.07 0.00 0.00 0.00 179.25 179.32 3b6p h LEU 44 N 0.22 0.27 -1.57 0.00 3.38 -1.49 -3.32 115.31 112.81 3b6p h LEU 44 Ca 0.05 -0.71 0.04 0.00 0.09 0.00 0.00 57.88 57.35 3b6p h LEU 44 Cb 0.32 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3b6p h LEU 44 CO 0.02 0.94 0.35 -0.33 0.09 0.00 0.00 178.44 179.50 3b6p h GLU 45 N -0.38 0.54 -0.36 1.13 5.08 -1.24 -2.44 114.58 116.91 3b6p h GLU 45 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3b6p h GLU 45 Cb 0.95 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3b6p h GLU 45 CO 0.05 0.36 0.00 0.09 -1.00 0.00 0.00 179.01 178.51 3b6p n ASN 46 N -4.47 1.78 -4.76 1.42 3.02 -0.39 -4.82 115.26 107.04 3b6p n ASN 46 Ca 0.06 -2.04 -0.39 0.00 -0.03 0.00 0.00 54.58 52.18 3b6p n ASN 46 Cb 0.18 -0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 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 -1.60 4.10 0.19 3.41 2.01 -0.92 -5.02 115.64 117.80 3b6p s THR 47 Ca 0.21 2.04 -0.31 0.00 0.31 0.00 0.00 61.69 63.94 3b6p s THR 47 Cb 0.11 -4.27 -0.09 0.00 0.01 0.00 0.00 72.50 68.26 3b6p s THR 47 CO 0.13 0.43 1.41 -0.44 -0.69 0.00 0.00 174.62 175.47 3b6p s SER 48 N -1.26 6.75 -0.31 3.53 0.01 -1.26 -4.92 113.70 116.23 3b6p s SER 48 Ca 0.43 2.51 -0.28 0.00 1.31 0.00 0.00 55.95 59.91 3b6p s SER 48 Cb -0.25 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.34 3b6p s SER 48 CO 0.30 -0.66 2.01 -0.63 0.41 0.00 0.00 173.24 174.67 3b6p s ILE 49 N 0.48 3.25 -0.95 1.44 1.01 -1.26 -4.77 121.20 120.40 3b6p s ILE 49 Ca 0.62 0.25 -0.27 0.00 0.00 0.00 0.00 60.65 61.25 3b6p s ILE 49 Cb -0.40 -3.37 -0.22 0.00 0.01 0.00 0.00 42.46 38.48 3b6p s ILE 49 CO 0.37 -0.25 2.51 -1.20 0.00 0.00 0.00 174.94 176.37 3b6p n SER 50 N 11.37 0.07 -4.57 3.58 7.64 -1.25 -4.90 113.62 125.55 3b6p n SER 50 Ca 0.26 0.08 -0.34 0.00 1.01 0.00 0.00 58.87 59.89 3b6p n SER 50 Cb 0.47 -0.83 -0.11 0.00 -1.01 0.00 0.00 64.21 62.73 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 8.34 3.42 0.00 1.43 0.74 -1.26 -4.87 119.66 127.47 3b6p s GLN 51 Ca 1.29 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 56.23 3b6p s GLN 51 Cb -1.15 -2.88 0.00 0.00 1.10 0.00 0.00 33.01 30.08 3b6p s GLN 51 CO 0.48 0.41 0.00 0.41 -0.55 0.00 0.00 175.29 176.04 3b6p n GLY 52 N 3.02 3.37 2.57 2.59 0.00 -1.26 -4.61 105.19 110.87 3b6p n GLY 52 Ca -0.18 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.36 0.98 0.49 1.61 3.76 -1.26 -2.82 115.29 115.69 3b6p s HIS 53 Ca 0.00 -1.57 -0.12 0.00 -0.15 0.00 0.00 55.06 53.22 3b6p s HIS 53 Cb 0.00 -1.21 -0.06 0.00 1.11 0.00 0.00 32.58 32.42 3b6p s HIS 53 CO 0.00 -0.83 0.89 -1.25 -0.85 0.00 0.00 174.74 172.70 3b6p s PRO 54 N 1.33 3.79 0.57 8.40 0.04 -1.26 -5.15 135.00 142.72 3b6p s PRO 54 Ca 0.14 0.67 -0.17 0.00 0.04 0.00 0.00 61.00 61.68 3b6p s PRO 54 Cb -0.20 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 3b6p s PRO 54 CO -0.14 -0.23 1.08 -1.25 0.04 0.00 0.00 177.00 176.50 3b6p s PRO 55 N -4.24 3.33 0.64 0.56 0.04 -1.13 -5.03 135.00 129.18 3b6p s PRO 55 Ca 0.54 1.34 -0.15 0.00 0.04 0.00 0.00 61.00 62.77 3b6p s PRO 55 Cb -0.10 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 3b6p s PRO 55 CO 0.36 -0.82 1.11 -1.25 0.04 0.00 0.00 177.00 176.44 3b6p s PRO 56 N -3.76 2.92 -0.12 0.56 0.04 -1.26 -4.72 135.00 128.66 3b6p s PRO 56 Ca 0.67 1.39 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 3b6p s PRO 56 Cb -0.18 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 3b6p s PRO 56 CO 0.32 -1.15 1.65 0.08 0.04 0.00 0.00 177.00 177.94 3b6p s VAL 57 N -2.30 3.62 0.48 -0.36 1.01 -1.26 -4.96 120.40 116.63 3b6p s VAL 57 Ca 0.67 0.72 -0.23 0.00 0.00 0.00 0.00 61.98 63.15 3b6p s VAL 57 Cb -0.20 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 3b6p s VAL 57 CO 0.39 -0.14 1.20 -2.16 0.00 0.00 0.00 175.10 174.39 3b6p s PRO 58 N 4.35 3.64 0.32 2.72 0.04 -1.26 -5.00 135.00 139.81 3b6p s PRO 58 Ca 0.73 1.85 -0.28 0.00 0.04 0.00 0.00 61.00 63.34 3b6p s PRO 58 Cb -0.30 -2.37 -0.10 0.00 0.04 0.00 0.00 34.50 31.77 3b6p s PRO 58 CO 0.29 -0.67 1.16 0.50 0.04 0.00 0.00 177.00 178.32 3b6p s ARG 59 N -2.74 4.46 0.76 4.56 3.52 -1.26 -4.91 118.95 123.34 3b6p s ARG 59 Ca 0.65 1.91 -0.15 0.00 -0.13 0.00 0.00 55.73 58.01 3b6p s ARG 59 Cb -0.31 -3.06 0.01 0.00 -1.56 0.00 0.00 34.95 30.04 3b6p s ARG 59 CO 0.37 0.02 0.79 -2.30 -0.81 0.00 0.00 175.30 173.36 3b6p n PRO 60 N 0.87 0.28 -1.74 5.12 -0.02 -1.26 -4.94 135.00 133.30 3b6p n PRO 60 Ca 0.00 0.15 -0.38 0.00 -2.02 0.00 0.00 63.50 61.25 3b6p n PRO 60 Cb 0.44 -2.08 0.05 0.00 -0.02 0.00 0.00 33.50 31.90 3b6p n PRO 60 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3b6p n PRO 61 N -1.70 1.47 0.22 0.52 -0.02 -1.26 -4.94 135.00 129.29 3b6p n PRO 61 Ca 0.11 0.55 -0.15 0.00 -2.02 0.00 0.00 63.50 61.99 3b6p n PRO 61 Cb 0.50 -2.57 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 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 1.08 -0.48 -6.64 -0.52 9.65 -1.94 -3.39 114.38 112.14 3b6p h ARG 62 Ca -0.51 0.03 -0.56 0.00 -1.10 0.00 0.00 59.98 57.84 3b6p h ARG 62 Cb 1.32 0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 29.93 3b6p h ARG 62 CO 0.55 -0.30 0.94 0.08 2.80 0.00 0.00 179.97 184.04 3b6p s VAL 63 N -6.00 4.13 -0.13 0.20 1.01 -1.26 -4.98 120.40 113.37 3b6p s VAL 63 Ca -0.16 1.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.80 3b6p s VAL 63 Cb 0.04 -4.66 0.04 0.00 0.00 0.00 0.00 36.38 31.81 3b6p s VAL 63 CO 0.63 -1.15 0.32 -0.69 0.00 0.00 0.00 175.10 174.21 3b6p s VAL 64 N 4.66 -0.01 -0.21 2.92 1.01 -1.26 -4.69 120.40 122.81 3b6p s VAL 64 Ca 0.45 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.39 3b6p s VAL 64 Cb -0.07 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 3b6p s VAL 64 CO 0.29 0.02 0.10 -1.81 0.00 0.00 0.00 175.10 173.70 3b6p s ASP 65 N 0.62 5.80 -0.02 3.32 1.11 -0.99 -5.00 116.67 121.51 3b6p s ASP 65 Ca -0.04 0.08 0.05 0.00 0.18 0.00 0.00 52.55 52.82 3b6p s ASP 65 Cb -0.05 -2.02 -0.01 0.00 1.07 0.00 0.00 42.92 41.91 3b6p s ASP 65 CO -0.04 0.12 -0.16 -0.75 1.18 0.00 0.00 175.17 175.52 3b6p s LYS 66 N 0.71 1.43 -0.11 8.23 2.20 -1.26 -0.24 119.74 130.69 3b6p s LYS 66 Ca 0.05 -0.57 -0.03 0.00 -0.36 0.00 0.00 55.97 55.06 3b6p s LYS 66 Cb -0.13 -1.33 0.05 0.00 -1.51 0.00 0.00 37.83 34.90 3b6p s LYS 66 CO 0.02 0.31 0.06 -1.17 -0.36 0.00 0.00 175.35 174.21 3b6p s LEU 67 N -0.23 0.40 -0.13 5.43 2.96 -0.12 -5.00 118.68 121.99 3b6p s LEU 67 Ca 0.03 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 3b6p s LEU 67 Cb -0.08 -0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.35 3b6p s LEU 67 CO 0.00 -0.29 -0.18 -0.55 -1.32 0.00 0.00 176.35 174.01 3b6p s SER 68 N 2.09 2.76 -0.01 3.68 0.15 -1.26 -0.44 113.70 120.68 3b6p s SER 68 Ca 0.03 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.18 3b6p s SER 68 Cb -0.14 -1.26 -0.00 0.00 -1.71 0.00 0.00 66.02 62.91 3b6p s SER 68 CO -0.06 0.03 -0.05 -0.76 1.20 0.00 0.00 173.24 173.60 3b6p s LEU 69 N 0.98 1.96 -0.15 3.45 1.43 -0.31 -5.02 118.68 121.02 3b6p s LEU 69 Ca -0.05 -0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 3b6p s LEU 69 Cb -0.15 -0.26 -0.05 0.00 0.03 0.00 0.00 46.19 45.76 3b6p s LEU 69 CO -0.03 0.05 0.16 0.00 0.23 0.00 0.00 176.35 176.76 3b6p s ILE 71 N -0.33 1.65 -0.03 0.00 1.01 0.16 -4.59 121.20 119.06 3b6p s ILE 71 Ca 0.13 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.70 3b6p s ILE 71 Cb -0.12 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 3b6p s ILE 71 CO 0.02 0.47 1.22 0.00 0.00 0.00 0.00 174.94 176.65 3b6p s ALA 72 N 0.50 3.49 0.49 9.38 0.00 -0.58 -4.27 121.76 130.77 3b6p s ALA 72 Ca -0.17 0.69 -0.05 0.00 0.00 0.00 0.00 51.96 52.43 3b6p s ALA 72 Cb -0.17 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 3b6p s ALA 72 CO 0.06 -0.73 0.78 -1.25 0.00 0.00 0.00 175.76 174.63 3b6p s PRO 73 N 2.06 3.45 0.35 0.00 0.04 -1.26 -4.11 135.00 135.54 3b6p s PRO 73 Ca 0.57 0.13 0.24 0.00 0.04 0.00 0.00 61.00 61.98 3b6p s PRO 73 Cb -0.26 -2.38 0.42 0.00 0.04 0.00 0.00 34.50 32.31 3b6p s PRO 73 CO 0.24 -0.25 1.58 0.78 0.04 0.00 0.00 177.00 179.39 3b6p h GLY 74 N 0.21 0.00 -3.33 0.56 0.00 -1.94 -3.46 103.07 95.10 3b6p h GLY 74 Ca -0.47 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.40 3b6p h GLY 74 CO 0.61 0.00 -0.76 -1.59 0.00 0.00 0.00 176.54 174.80 3b6p s LYS 75 N -3.20 1.16 0.51 4.80 -2.85 -1.26 -5.14 119.74 113.76 3b6p s LYS 75 Ca 0.07 -1.35 -0.20 0.00 -1.00 0.00 0.00 55.97 53.48 3b6p s LYS 75 Cb 0.07 -1.09 -0.07 0.00 -2.06 0.00 0.00 37.83 34.69 3b6p s LYS 75 CO 0.67 0.21 1.10 0.00 0.10 0.00 0.00 175.35 177.43 3b6p s ALA 76 N -2.25 2.80 0.41 0.59 0.00 -1.26 -4.87 121.76 117.19 3b6p s ALA 76 Ca 0.13 0.77 -0.24 0.00 0.00 0.00 0.00 51.96 52.62 3b6p s ALA 76 Cb -0.04 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 3b6p s ALA 76 CO 0.05 -0.59 1.12 0.00 0.00 0.00 0.00 175.76 176.34 3b6p s SER 78 N -1.33 5.39 0.23 0.00 1.04 0.73 -4.83 113.70 114.94 3b6p s SER 78 Ca 0.58 2.25 -0.07 0.00 0.48 0.00 0.00 55.95 59.19 3b6p s SER 78 Cb -0.27 -2.59 0.41 0.00 0.10 0.00 0.00 66.02 63.67 3b6p s SER 78 CO 0.34 -1.45 1.68 -0.65 0.98 0.00 0.00 173.24 174.14 3b6p h PRO 79 N 0.90 0.24 -0.02 4.02 0.11 -1.96 -0.87 132.00 134.42 3b6p h PRO 79 Ca -0.50 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 3b6p h PRO 79 Cb 1.28 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3b6p h PRO 79 CO 0.56 0.16 -0.31 0.78 -0.21 0.00 0.00 178.00 178.98 3b6p h GLY 80 N 0.24 0.04 0.89 -0.55 0.00 -1.95 -2.89 103.07 98.85 3b6p h GLY 80 Ca 0.38 -0.03 -0.14 0.00 0.00 0.00 0.00 47.33 47.54 3b6p h GLY 80 CO -0.50 0.03 -0.47 0.00 0.00 0.00 0.00 176.54 175.61 3b6p h ALA 81 N 1.66 0.23 -0.19 3.60 0.00 -1.47 -3.10 119.26 120.00 3b6p h ALA 81 Ca 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3b6p h ALA 81 Cb 0.56 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3b6p h ALA 81 CO 0.04 0.38 -0.11 0.77 0.00 0.00 0.00 179.25 180.33 3b6p h SER 82 N 0.16 0.28 -0.15 0.00 0.02 -1.35 -1.70 113.55 110.81 3b6p h SER 82 Ca -0.02 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 3b6p h SER 82 Cb 1.10 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 3b6p h SER 82 CO 0.10 0.42 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.87 3b6p h GLU 83 N 0.28 0.26 0.15 3.45 5.08 -1.54 -1.50 114.58 120.76 3b6p h GLU 83 Ca 0.06 -0.09 -0.29 0.00 -1.00 0.00 0.00 59.36 58.03 3b6p h GLU 83 Cb 0.37 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.63 3b6p h GLU 83 CO 0.02 0.51 -1.27 -0.84 -1.00 0.00 0.00 179.01 176.43 3b6p h ILE 84 N -0.01 1.36 0.07 3.13 3.07 -1.47 -3.35 117.51 120.30 3b6p h ILE 84 Ca 0.04 -2.69 -0.26 0.00 1.55 0.00 0.00 64.86 63.50 3b6p h ILE 84 Cb 0.40 2.82 -0.02 0.00 -0.27 0.00 0.00 36.82 39.76 3b6p h ILE 84 CO 0.01 0.80 -1.28 0.71 -1.05 0.00 0.00 178.15 177.34 3b6p h THR 85 N 0.18 1.42 -0.16 0.16 1.35 -1.42 -3.42 112.91 111.01 3b6p h THR 85 Ca -0.18 -3.08 -0.06 0.00 -0.55 0.00 0.00 66.41 62.54 3b6p h THR 85 Cb 1.96 2.81 -0.02 0.00 -1.73 0.00 0.00 68.15 71.17 3b6p h THR 85 CO 0.23 0.86 -0.05 0.61 -0.25 0.00 0.00 175.52 176.92 3b6p n GLY 86 N 1.51 0.55 3.37 5.82 0.00 -0.57 -4.73 105.19 111.14 3b6p n GLY 86 Ca -0.08 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.64 2.36 0.05 0.99 1.43 -1.24 -5.07 118.68 116.56 3b6p s LEU 87 Ca 0.00 -0.78 -0.09 0.00 -1.03 0.00 0.00 54.13 52.22 3b6p s LEU 87 Cb 0.00 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 45.13 3b6p s LEU 87 CO 0.00 0.11 0.20 -0.94 0.23 0.00 0.00 176.35 175.95 3b6p s SER 88 N -2.27 0.05 0.15 2.29 1.04 -1.26 -4.29 113.70 109.41 3b6p s SER 88 Ca 0.14 -0.45 -0.18 0.00 0.48 0.00 0.00 55.95 55.95 3b6p s SER 88 Cb -0.09 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.37 3b6p s SER 88 CO 0.07 -0.61 1.70 0.50 0.98 0.00 0.00 173.24 175.88 3b6p h LYS 89 N 3.23 0.06 -0.57 4.02 3.64 -1.94 -0.80 116.57 124.21 3b6p h LYS 89 Ca -0.33 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.07 3b6p h LYS 89 Cb 1.19 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 3b6p h LYS 89 CO 0.51 0.04 0.36 0.00 -2.27 0.00 0.00 179.45 178.08 3b6p h ALA 90 N 1.27 0.73 -0.37 5.00 0.00 -1.98 0.73 119.26 124.64 3b6p h ALA 90 Ca 0.14 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3b6p h ALA 90 Cb 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3b6p h ALA 90 CO -0.26 0.10 -0.25 1.49 0.00 0.00 0.00 179.25 180.32 3b6p h GLU 91 N 0.71 0.75 -0.44 0.00 4.57 -1.91 -0.16 114.58 118.10 3b6p h GLU 91 Ca 0.22 -0.32 -0.12 0.00 -1.18 0.00 0.00 59.36 57.96 3b6p h GLU 91 Cb -0.01 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3b6p h GLU 91 CO -0.08 0.93 -0.22 -0.07 -1.18 0.00 0.00 179.01 178.38 3b6p h LEU 92 N 0.65 0.92 -0.11 1.64 3.38 -0.82 -2.71 115.31 118.26 3b6p h LEU 92 Ca 0.08 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3b6p h LEU 92 Cb 0.77 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3b6p h LEU 92 CO 0.06 1.10 -0.07 -0.33 0.09 0.00 0.00 178.44 179.29 3b6p h GLU 93 N 0.78 0.24 0.00 1.13 5.08 -0.67 -0.98 114.58 120.15 3b6p h GLU 93 Ca 0.10 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3b6p h GLU 93 Cb 0.77 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 3b6p h GLU 93 CO 0.06 0.61 -0.11 -0.24 -1.00 0.00 0.00 179.01 178.34 3b6p h VAL 94 N -0.13 0.45 -0.45 3.13 3.04 -1.07 -0.74 116.25 120.48 3b6p h VAL 94 Ca 0.02 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 3b6p h VAL 94 Cb 0.55 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 3b6p h VAL 94 CO 0.02 0.11 0.00 0.00 -1.01 0.00 0.00 177.57 176.69 3b6p n GLN 95 N -3.49 3.37 -2.19 4.17 6.02 -1.02 -4.94 117.38 119.30 3b6p n GLN 95 Ca -0.01 -2.16 -0.15 0.00 -0.01 0.00 0.00 57.00 54.66 3b6p n GLN 95 Cb 0.25 -1.88 -0.01 0.00 1.02 0.00 0.00 30.24 29.63 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 0.70 -0.05 3.77 1.08 0.00 -0.28 -4.99 105.19 105.41 3b6p n GLY 96 Ca 0.19 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.58 4.34 0.34 1.61 1.81 -0.38 -5.04 118.95 117.05 3b6p s ARG 97 Ca 0.00 1.82 0.03 0.00 -1.72 0.00 0.00 55.73 55.86 3b6p s ARG 97 Cb 0.00 -2.91 -0.02 0.00 -0.45 0.00 0.00 34.95 31.57 3b6p s ARG 97 CO 0.00 -0.06 0.51 -0.65 -0.68 0.00 0.00 175.30 174.42 3b6p s GLN 98 N -1.92 3.33 1.00 3.54 -0.21 -1.26 -4.40 119.66 119.72 3b6p s GLN 98 Ca 0.51 -0.60 -0.14 0.00 0.02 0.00 0.00 55.36 55.15 3b6p s GLN 98 Cb -0.31 -2.73 0.19 0.00 1.00 0.00 0.00 33.01 31.16 3b6p s GLN 98 CO 0.40 0.12 1.15 1.03 -2.12 0.00 0.00 175.29 175.87 3b6p s ARG 99 N -4.25 0.44 -0.89 2.91 1.81 -1.26 -1.52 118.95 116.19 3b6p s ARG 99 Ca 0.41 0.14 -0.25 0.00 -1.72 0.00 0.00 55.73 54.31 3b6p s ARG 99 Cb -0.09 -1.77 -0.02 0.00 -0.45 0.00 0.00 34.95 32.61 3b6p s ARG 99 CO 0.34 -2.64 1.80 0.12 -0.68 0.00 0.00 175.30 174.23 3b6p s PHE 100 N -3.26 1.97 0.19 -0.53 5.36 -1.26 -4.85 117.98 115.60 3b6p s PHE 100 Ca 0.67 0.29 0.00 0.00 -0.96 0.00 0.00 56.93 56.93 3b6p s PHE 100 Cb -0.13 -4.22 -0.00 0.00 -0.34 0.00 0.00 43.02 38.33 3b6p s PHE 100 CO 0.54 -1.87 0.01 -0.40 -1.46 0.00 0.00 175.22 172.04 3b6p n ASP 101 N 12.49 2.38 -0.05 6.13 5.68 -1.26 -4.94 116.55 136.97 3b6p n ASP 101 Ca 0.35 -1.85 -0.01 0.00 -0.50 0.00 0.00 54.79 52.78 3b6p n ASP 101 Cb 0.49 0.16 0.25 0.00 -1.14 0.00 0.00 41.12 40.88 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 0.48 0.61 -0.52 -1.12 3.32 -2.00 -2.57 116.42 114.62 3b6p h ASP 102 Ca -0.16 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 3b6p h ASP 102 Cb 0.48 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3b6p h ASP 102 CO 0.26 0.65 0.18 -1.13 -1.72 0.00 0.00 179.24 177.48 3b6p h ASN 103 N 0.62 0.78 -0.34 6.45 -1.24 -1.96 -1.26 115.58 118.62 3b6p h ASN 103 Ca 0.13 -0.12 -0.08 0.00 0.71 0.00 0.00 56.30 56.94 3b6p h ASN 103 Cb 0.33 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 3b6p h ASN 103 CO 0.01 0.73 -0.07 0.25 -1.29 0.00 0.00 177.43 177.06 3b6p h LEU 104 N 0.82 0.74 -0.61 0.34 5.85 -1.81 -1.12 115.31 119.52 3b6p h LEU 104 Ca 0.19 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3b6p h LEU 104 Cb 0.23 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3b6p h LEU 104 CO -0.01 0.85 0.11 0.00 -0.34 0.00 0.00 178.44 179.04 3b6p h ALA 105 N 1.23 0.81 -0.55 1.25 0.00 -1.05 -0.51 119.26 120.44 3b6p h ALA 105 Ca 0.13 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3b6p h ALA 105 Cb 0.53 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3b6p h ALA 105 CO 0.03 0.57 0.23 0.82 0.00 0.00 0.00 179.25 180.89 3b6p h ILE 106 N 0.92 1.22 -0.08 0.00 2.04 -1.08 -0.70 117.51 119.84 3b6p h ILE 106 Ca 0.19 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.40 3b6p h ILE 106 Cb 0.42 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3b6p h ILE 106 CO 0.01 0.26 -0.01 0.25 0.00 0.00 0.00 178.15 178.66 3b6p h LEU 107 N 0.75 -0.05 -0.52 1.44 6.46 -0.99 -0.32 115.31 122.08 3b6p h LEU 107 Ca 0.18 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.98 3b6p h LEU 107 Cb 0.18 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.12 3b6p h LEU 107 CO -0.02 -0.01 0.33 -0.07 -0.62 0.00 0.00 178.44 178.05 3b6p h LEU 108 N 0.02 0.56 -0.31 2.25 3.38 -0.97 -1.27 115.31 118.97 3b6p h LEU 108 Ca 0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3b6p h LEU 108 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3b6p h LEU 108 CO -0.07 0.40 0.17 -0.09 0.09 0.00 0.00 178.44 178.94 3b6p h ARG 109 N 0.67 0.42 -0.14 1.13 9.65 -0.89 -0.20 114.38 125.03 3b6p h ARG 109 Ca 0.20 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.96 3b6p h ARG 109 Cb -0.03 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 3b6p h ARG 109 CO -0.06 0.35 -0.24 0.00 2.80 0.00 0.00 179.97 182.81 3b6p h ALA 110 N 1.05 1.34 -0.19 2.80 0.00 -0.91 0.10 119.26 123.44 3b6p h ALA 110 Ca 0.11 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3b6p h ALA 110 Cb 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3b6p h ALA 110 CO -0.02 0.45 -0.18 0.35 0.00 0.00 0.00 179.25 179.86 3b6p h PHE 111 N 0.22 0.55 -0.23 0.00 3.57 -0.96 -3.15 116.94 116.95 3b6p h PHE 111 Ca 0.04 -0.16 -0.11 0.00 3.53 0.00 0.00 57.97 61.27 3b6p h PHE 111 Cb 0.56 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3b6p h PHE 111 CO 0.01 0.81 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.52 3b6p h LEU 112 N 0.13 0.47 -1.69 0.59 3.38 -0.78 -2.95 115.31 114.45 3b6p h LEU 112 Ca 0.03 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3b6p h LEU 112 Cb 0.72 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3b6p h LEU 112 CO 0.05 0.76 -0.18 -0.61 0.09 0.00 0.00 178.44 178.54 3b6p h GLN 113 N 0.40 0.00 0.00 1.13 4.15 -1.02 -1.93 115.11 117.84 3b6p h GLN 113 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3b6p h GLN 113 Cb 0.74 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.43 3b6p h GLN 113 CO 0.06 0.18 0.00 0.54 -1.93 0.00 0.00 178.83 177.68 3b6p n ARG 114 N -3.90 0.10 -3.63 1.69 1.74 -1.11 -4.77 116.66 106.78 3b6p n ARG 114 Ca -0.02 0.26 -0.37 0.00 -0.77 0.00 0.00 57.85 56.95 3b6p n ARG 114 Cb 0.28 -1.67 -0.06 0.00 -1.02 0.00 0.00 32.46 29.98 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 -3.12 3.92 0.28 5.56 -1.52 -0.73 -5.06 119.66 118.99 3b6p s GLN 115 Ca 0.08 0.12 -0.30 0.00 -1.95 0.00 0.00 55.36 53.31 3b6p s GLN 115 Cb 0.11 -3.30 -0.11 0.00 -0.22 0.00 0.00 33.01 29.50 3b6p s GLN 115 CO 0.40 0.53 1.53 -1.25 -0.25 0.00 0.00 175.29 176.25 3b6p s PRO 116 N -0.44 4.18 0.26 2.91 0.04 -1.26 -4.99 135.00 135.70 3b6p s PRO 116 Ca 0.18 2.47 -0.00 0.00 0.04 0.00 0.00 61.00 63.69 3b6p s PRO 116 Cb -0.14 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 3b6p s PRO 116 CO 0.07 -0.55 0.46 -0.65 0.04 0.00 0.00 177.00 176.37 3b6p s GLN 117 N -0.46 3.52 0.61 4.56 -1.52 -1.26 -3.84 119.66 121.26 3b6p s GLN 117 Ca 0.62 -0.34 -0.15 0.00 -1.95 0.00 0.00 55.36 53.54 3b6p s GLN 117 Cb -0.45 -2.76 -0.03 0.00 -0.22 0.00 0.00 33.01 29.54 3b6p s GLN 117 CO 0.46 0.30 1.06 -1.25 -0.25 0.00 0.00 175.29 175.61 3b6p s PRO 118 N -3.73 3.27 0.06 2.91 0.04 -1.26 -4.61 135.00 131.68 3b6p s PRO 118 Ca 0.39 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.63 3b6p s PRO 118 Cb -0.10 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3b6p s PRO 118 CO 0.31 -0.85 -0.06 0.00 0.04 0.00 0.00 177.00 176.45 3b6p s LEU 121 N 1.65 4.43 -0.19 0.00 1.43 0.47 -0.54 118.68 125.94 3b6p s LEU 121 Ca 0.01 1.86 0.01 0.00 -1.03 0.00 0.00 54.13 54.98 3b6p s LEU 121 Cb -0.13 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.53 3b6p s LEU 121 CO -0.05 -0.24 -0.18 -0.69 0.23 0.00 0.00 176.35 175.42 3b6p s VAL 122 N 0.48 2.14 0.01 -1.59 1.01 0.43 -0.39 120.40 122.49 3b6p s VAL 122 Ca 0.51 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3b6p s VAL 122 Cb -0.25 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 3b6p s VAL 122 CO 0.30 0.49 -0.01 0.00 0.00 0.00 0.00 175.10 175.88 3b6p s ALA 123 N 1.28 0.05 -0.16 5.51 0.00 -1.14 0.03 121.76 127.34 3b6p s ALA 123 Ca 0.04 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 3b6p s ALA 123 Cb -0.14 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 3b6p s ALA 123 CO -0.12 -0.05 1.11 -1.58 0.00 0.00 0.00 175.76 175.12 3b6p s HIS 124 N -0.52 3.22 -1.49 0.00 2.46 -1.26 -1.95 115.29 115.75 3b6p s HIS 124 Ca -0.06 1.34 -0.06 0.00 0.47 0.00 0.00 55.06 56.75 3b6p s HIS 124 Cb -0.04 -3.34 0.02 0.00 -0.13 0.00 0.00 32.58 29.10 3b6p s HIS 124 CO -0.00 -0.87 0.63 -1.71 -2.47 0.00 0.00 174.74 170.32 3b6p n ASN 125 N 5.98 -5.62 -0.11 9.88 4.05 -1.26 -4.83 115.26 123.35 3b6p n ASN 125 Ca 0.12 -0.34 -0.07 0.00 0.45 0.00 0.00 54.58 54.74 3b6p n ASN 125 Cb 0.46 -4.55 0.11 0.00 1.23 0.00 0.00 39.78 37.04 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 -1.42 0.88 2.00 8.20 0.00 -1.83 -1.76 103.07 109.14 3b6p h GLY 126 Ca -0.51 -0.67 -0.05 0.00 0.00 0.00 0.00 47.33 46.10 3b6p h GLY 126 CO 0.57 0.62 -0.22 -0.55 0.00 0.00 0.00 176.54 176.95 3b6p h ASP 127 N 0.73 0.00 0.00 0.19 3.32 -1.90 0.38 116.42 119.15 3b6p h ASP 127 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3b6p h ASP 127 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3b6p h ASP 127 CO 0.04 0.22 -0.94 0.54 -1.72 0.00 0.00 179.24 177.38 3b6p n ARG 128 N -3.94 1.71 0.01 3.56 1.74 -1.16 -4.69 116.66 113.90 3b6p n ARG 128 Ca -0.02 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3b6p n ARG 128 Cb 0.30 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 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 -1.51 -0.17 0.01 -1.55 9.36 -0.67 -4.91 117.16 117.71 3b6p n TYR 129 Ca 0.01 0.03 -0.11 0.00 3.32 0.00 0.00 57.90 61.15 3b6p n TYR 129 Cb 0.27 0.40 -0.06 0.00 -0.63 0.00 0.00 39.34 39.32 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 0.07 -0.05 2.98 3.32 -1.57 -2.14 116.42 119.03 3b6p h ASP 130 Ca 0.00 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3b6p h ASP 130 Cb 0.00 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3b6p h ASP 130 CO 0.00 0.08 -0.05 -0.26 -1.72 0.00 0.00 179.24 177.29 3b6p h PHE 131 N 0.06 0.13 -0.57 4.55 0.05 -1.24 -2.11 116.94 117.82 3b6p h PHE 131 Ca 0.02 -0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.76 3b6p h PHE 131 Cb 0.02 -0.03 -0.03 0.00 2.00 0.00 0.00 35.95 37.91 3b6p h PHE 131 CO -0.07 0.57 0.30 -1.35 -0.18 0.00 0.00 178.31 177.58 3b6p h PRO 132 N -0.34 0.78 -0.21 1.51 0.11 -1.72 -1.07 132.00 131.05 3b6p h PRO 132 Ca 0.01 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 3b6p h PRO 132 Cb 0.55 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3b6p h PRO 132 CO 0.01 0.59 -0.07 1.25 -0.21 0.00 0.00 178.00 179.56 3b6p h LEU 133 N 0.79 0.44 -1.26 2.35 6.46 -1.39 -1.52 115.31 121.18 3b6p h LEU 133 Ca 0.20 -0.39 -0.06 0.00 -0.12 0.00 0.00 57.88 57.51 3b6p h LEU 133 Cb 0.04 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 3b6p h LEU 133 CO -0.03 0.72 -0.14 0.25 -0.62 0.00 0.00 178.44 178.62 3b6p h LEU 134 N 0.15 0.32 -0.63 2.25 5.85 -1.25 -1.50 115.31 120.49 3b6p h LEU 134 Ca 0.05 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 3b6p h LEU 134 Cb 0.54 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3b6p h LEU 134 CO 0.03 0.49 0.02 -0.61 -0.34 0.00 0.00 178.44 178.02 3b6p h GLN 135 N 0.31 1.09 -0.63 1.25 5.75 -1.09 -1.80 115.11 119.99 3b6p h GLN 135 Ca 0.06 -0.34 -0.05 0.00 -0.15 0.00 0.00 58.65 58.17 3b6p h GLN 135 Cb 0.44 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 3b6p h GLN 135 CO 0.03 1.05 0.20 1.15 -2.65 0.00 0.00 178.83 178.60 3b6p h THR 136 N 0.99 1.25 -0.53 2.39 2.02 -0.77 -1.71 112.91 116.55 3b6p h THR 136 Ca 0.18 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 66.42 3b6p h THR 136 Cb 0.54 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3b6p h THR 136 CO 0.03 0.32 -0.04 -0.33 0.37 0.00 0.00 175.52 175.87 3b6p h GLU 137 N 0.91 0.96 0.00 6.66 4.39 -1.17 -3.04 114.58 123.29 3b6p h GLU 137 Ca 0.20 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 3b6p h GLU 137 Cb 0.29 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3b6p h GLU 137 CO -0.01 0.99 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.57 3b6p h LEU 138 N 0.83 0.00 -1.01 1.33 3.38 -1.27 -3.14 115.31 115.43 3b6p h LEU 138 Ca 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3b6p h LEU 138 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3b6p h LEU 138 CO 0.03 0.20 -0.25 0.00 0.09 0.00 0.00 178.44 178.51 3b6p h ALA 139 N 1.80 1.00 0.00 1.53 0.00 -1.19 -2.87 119.26 119.53 3b6p h ALA 139 Ca -0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3b6p h ALA 139 Cb 0.91 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3b6p h ALA 139 CO 0.03 0.32 -0.22 0.00 0.00 0.00 0.00 179.25 179.37 3b6p h ARG 140 N 0.00 0.00 -6.98 0.00 3.08 -1.54 -3.46 114.38 105.48 3b6p h ARG 140 Ca -0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.59 3b6p h ARG 140 Cb 0.81 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 3b6p h ARG 140 CO 0.03 0.22 0.32 -0.51 -1.07 0.00 0.00 179.97 178.96 3b6p s LEU 141 N -6.70 4.06 0.09 3.04 1.43 -1.09 -4.99 118.68 114.52 3b6p s LEU 141 Ca 0.01 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 54.69 3b6p s LEU 141 Cb 0.10 -4.35 -0.18 0.00 0.03 0.00 0.00 46.19 41.79 3b6p s LEU 141 CO 0.64 -0.26 1.24 0.77 0.23 0.00 0.00 176.35 178.96 3b6p h SER 142 N 2.29 0.81 -3.97 2.29 4.64 -1.89 -3.45 113.55 114.27 3b6p h SER 142 Ca -0.48 -0.63 -0.52 0.00 -0.47 0.00 0.00 61.79 59.68 3b6p h SER 142 Cb 1.18 -0.25 0.08 0.00 -0.31 0.00 0.00 62.40 63.10 3b6p h SER 142 CO 0.62 1.43 0.55 0.42 -0.87 0.00 0.00 176.83 178.99 3b6p s THR 143 N -3.36 2.82 0.67 2.95 -4.23 -1.26 -5.00 115.64 108.24 3b6p s THR 143 Ca -0.09 0.68 -0.17 0.00 -1.18 0.00 0.00 61.69 60.93 3b6p s THR 143 Cb 0.08 -3.37 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 3b6p s THR 143 CO 0.90 0.05 1.07 -0.81 -0.54 0.00 0.00 174.62 175.30 3b6p n PRO 144 N -0.18 0.78 -1.92 3.99 -0.04 -1.26 -4.91 135.00 131.47 3b6p n PRO 144 Ca 0.06 0.32 -0.42 0.00 -0.04 0.00 0.00 63.50 63.41 3b6p n PRO 144 Cb 0.46 -2.31 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 3b6p n PRO 144 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3b6p s SER 145 N -1.47 6.58 0.52 3.54 0.15 -1.26 -4.90 113.70 116.85 3b6p s SER 145 Ca 0.77 2.55 0.30 0.00 0.70 0.00 0.00 55.95 60.27 3b6p s SER 145 Cb -0.37 -2.57 1.28 0.00 -1.71 0.00 0.00 66.02 62.65 3b6p s SER 145 CO 0.46 -0.87 1.96 1.55 1.20 0.00 0.00 173.24 177.54 3b6p h PRO 146 N 7.78 0.00 -0.14 5.44 0.13 -1.91 -2.90 132.00 140.41 3b6p h PRO 146 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3b6p h PRO 146 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3b6p h PRO 146 CO 0.93 0.10 0.00 1.28 -0.23 0.00 0.00 178.00 180.07 3b6p n LEU 147 N -3.28 1.57 -4.70 1.56 4.77 -1.26 -4.81 117.00 110.86 3b6p n LEU 147 Ca -0.00 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 54.92 3b6p n LEU 147 Cb 0.33 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3b6p n LEU 147 CO 0.29 0.32 1.01 -0.62 -1.33 0.00 0.00 177.39 177.06 3b6p s ASP 148 N -1.63 6.95 0.00 -1.43 2.15 -1.10 -2.43 116.67 119.18 3b6p s ASP 148 Ca 0.33 2.07 0.00 0.00 0.43 0.00 0.00 52.55 55.38 3b6p s ASP 148 Cb 0.18 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 3b6p s ASP 148 CO 0.27 -0.61 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 3b6p n GLY 149 N 3.44 1.88 3.91 2.66 0.00 -1.26 -5.06 105.19 110.76 3b6p n GLY 149 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.49 5.14 0.43 2.61 -4.23 -1.02 -4.71 115.64 111.37 3b6p s THR 150 Ca 0.00 -0.14 0.08 0.00 -1.18 0.00 0.00 61.69 60.45 3b6p s THR 150 Cb 0.00 -3.71 0.02 0.00 1.34 0.00 0.00 72.50 70.15 3b6p s THR 150 CO 0.00 -0.17 0.59 -0.36 -0.54 0.00 0.00 174.62 174.14 3b6p s PHE 151 N -1.89 2.70 0.02 3.99 0.08 0.10 -1.32 117.98 121.67 3b6p s PHE 151 Ca 0.41 -0.42 -0.14 0.00 0.12 0.00 0.00 56.93 56.90 3b6p s PHE 151 Cb -0.11 -2.37 0.02 0.00 -0.57 0.00 0.00 43.02 39.99 3b6p s PHE 151 CO 0.28 -0.48 0.29 0.00 -0.10 0.00 0.00 175.22 175.21 3b6p s VAL 153 N -2.12 0.04 -0.14 0.00 0.11 0.48 -2.80 120.40 115.96 3b6p s VAL 153 Ca -0.08 -0.31 -0.16 0.00 -2.93 0.00 0.00 61.98 58.50 3b6p s VAL 153 Cb -0.02 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 3b6p s VAL 153 CO -0.01 -0.17 0.38 -0.62 -3.33 0.00 0.00 175.10 171.36 3b6p s ASP 154 N -1.13 6.55 0.43 3.54 -1.08 -1.26 -2.88 116.67 120.83 3b6p s ASP 154 Ca -0.12 0.65 0.26 0.00 -0.52 0.00 0.00 52.55 52.83 3b6p s ASP 154 Cb -0.04 -2.23 0.66 0.00 -1.46 0.00 0.00 42.92 39.85 3b6p s ASP 154 CO 0.05 0.05 1.72 0.77 0.52 0.00 0.00 175.17 178.28 3b6p h SER 155 N 6.70 0.00 -0.11 -0.34 4.64 -1.77 -2.38 113.55 120.30 3b6p h SER 155 Ca -0.41 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.88 3b6p h SER 155 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3b6p h SER 155 CO 0.76 0.00 -0.04 0.40 -0.87 0.00 0.00 176.83 177.08 3b6p h ILE 156 N 0.00 1.31 -0.28 0.95 2.04 -1.94 -0.92 117.51 118.67 3b6p h ILE 156 Ca 0.00 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 3b6p h ILE 156 Cb 0.83 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 3b6p h ILE 156 CO 0.00 0.29 0.04 0.00 0.00 0.00 0.00 178.15 178.49 3b6p h ALA 157 N 0.67 1.56 0.36 1.87 0.00 -1.94 -0.85 119.26 120.92 3b6p h ALA 157 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3b6p h ALA 157 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3b6p h ALA 157 CO 0.01 0.33 -0.17 0.00 0.00 0.00 0.00 179.25 179.42 3b6p h ALA 158 N 1.65 -0.48 -0.32 0.00 0.00 -1.30 -2.91 119.26 115.91 3b6p h ALA 158 Ca 0.09 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3b6p h ALA 158 Cb 0.20 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3b6p h ALA 158 CO 0.00 -0.67 -0.21 -0.07 0.00 0.00 0.00 179.25 178.30 3b6p h LEU 159 N -0.67 0.61 -1.50 0.00 3.38 -1.00 -2.10 115.31 114.03 3b6p h LEU 159 Ca -0.05 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3b6p h LEU 159 Cb 0.48 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3b6p h LEU 159 CO 0.08 0.82 -0.11 0.11 0.09 0.00 0.00 178.44 179.43 3b6p h LYS 160 N 0.54 0.19 0.04 1.13 1.57 -1.22 0.20 116.57 119.03 3b6p h LYS 160 Ca 0.08 -0.04 -0.25 0.00 -1.87 0.00 0.00 60.65 58.57 3b6p h LYS 160 Cb 0.66 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 3b6p h LYS 160 CO 0.05 0.31 -1.25 0.00 -0.57 0.00 0.00 179.45 177.98 3b6p h ALA 161 N 1.71 0.36 0.18 3.86 0.00 -1.28 -2.86 119.26 121.24 3b6p h ALA 161 Ca 0.04 -1.03 -0.24 0.00 0.00 0.00 0.00 54.91 53.67 3b6p h ALA 161 Cb 0.31 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.19 3b6p h ALA 161 CO 0.02 1.24 -1.06 -0.07 0.00 0.00 0.00 179.25 179.38 3b6p h LEU 162 N 0.02 0.62 -0.49 0.00 3.38 -1.16 -3.35 115.31 114.33 3b6p h LEU 162 Ca -0.12 -0.93 -0.06 0.00 0.09 0.00 0.00 57.88 56.86 3b6p h LEU 162 Cb 1.89 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.42 3b6p h LEU 162 CO 0.14 1.51 0.09 -0.08 0.09 0.00 0.00 178.44 180.19 3b6p h GLU 163 N -0.16 0.81 -3.13 1.13 4.81 -0.75 -3.29 114.58 114.01 3b6p h GLU 163 Ca -0.18 -0.21 -0.80 0.00 -0.13 0.00 0.00 59.36 58.04 3b6p h GLU 163 Cb 1.83 -0.10 -0.25 0.00 0.63 0.00 0.00 28.75 30.86 3b6p h GLU 163 CO 0.20 0.80 0.99 1.04 -0.73 0.00 0.00 179.01 181.32 3b6p n GLN 164 N -4.43 4.22 0.00 1.92 6.02 -1.08 -5.09 117.38 118.95 3b6p n GLN 164 Ca 0.01 -4.35 0.00 0.00 -0.01 0.00 0.00 57.00 52.66 3b6p n GLN 164 Cb 0.25 -2.60 0.00 0.00 1.02 0.00 0.00 30.24 28.90 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 2.00 0.00 -0.05 -1.58 0.00 -1.24 -4.78 120.51 114.86 3b6p n ALA 165 Ca 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.67 3b6p n ALA 165 Cb 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 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 2.04 -2.55 0.00 4.76 -1.26 -5.08 118.16 116.06 3b6p n LYS 175 Ca 0.00 0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 3b6p n LYS 175 Cb 0.24 -1.24 -0.03 0.00 -1.84 0.00 0.00 35.03 32.16 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 -4.35 7.12 -0.34 4.39 0.15 -1.26 -4.94 113.70 114.47 3b6p s SER 176 Ca -0.07 1.69 0.07 0.00 0.70 0.00 0.00 55.95 58.34 3b6p s SER 176 Cb 0.03 -2.56 0.55 0.00 -1.71 0.00 0.00 66.02 62.34 3b6p s SER 176 CO 0.36 -0.54 1.60 -1.22 1.20 0.00 0.00 173.24 174.64 3b6p n TYR 177 N 5.23 1.69 -1.75 3.44 4.01 -1.26 -4.44 117.16 124.08 3b6p n TYR 177 Ca 0.10 -1.71 -0.32 0.00 -0.16 0.00 0.00 57.90 55.81 3b6p n TYR 177 Cb 0.47 -0.63 0.04 0.00 -0.31 0.00 0.00 39.34 38.90 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 -2.20 5.40 0.28 7.72 1.04 -1.26 -4.90 113.70 119.78 3b6p s SER 178 Ca 0.48 1.77 -0.01 0.00 0.48 0.00 0.00 55.95 58.68 3b6p s SER 178 Cb 0.43 -2.52 0.47 0.00 0.10 0.00 0.00 66.02 64.50 3b6p s SER 178 CO 0.03 -1.43 1.88 0.25 0.98 0.00 0.00 173.24 174.95 3b6p h LEU 179 N -0.21 0.99 -0.30 2.42 5.85 -1.98 -2.30 115.31 119.77 3b6p h LEU 179 Ca -0.45 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 3b6p h LEU 179 Cb 1.22 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3b6p h LEU 179 CO 0.56 0.61 -0.21 1.23 -0.34 0.00 0.00 178.44 180.29 3b6p h GLY 180 N 1.11 0.72 1.04 3.75 0.00 -1.98 -2.70 103.07 105.02 3b6p h GLY 180 Ca 0.44 -0.69 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 3b6p h GLY 180 CO -0.18 0.63 0.18 0.23 0.00 0.00 0.00 176.54 177.40 3b6p h SER 181 N 0.41 1.01 -0.32 0.19 0.87 -1.78 -1.18 113.55 112.76 3b6p h SER 181 Ca 0.06 -0.23 -0.10 0.00 -1.23 0.00 0.00 61.79 60.29 3b6p h SER 181 Cb 0.76 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 3b6p h SER 181 CO 0.06 0.97 -0.19 0.40 -0.53 0.00 0.00 176.83 177.54 3b6p h ILE 182 N 1.00 1.29 -0.74 2.23 2.04 -1.49 -2.50 117.51 119.34 3b6p h ILE 182 Ca 0.21 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 3b6p h ILE 182 Cb 0.35 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 3b6p h ILE 182 CO -0.00 0.43 0.40 0.22 0.00 0.00 0.00 178.15 179.20 3b6p h TYR 183 N 0.45 1.03 -0.05 1.37 3.20 -1.35 -2.55 116.97 119.07 3b6p h TYR 183 Ca 0.07 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 3b6p h TYR 183 Cb 0.74 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3b6p h TYR 183 CO 0.06 0.73 -0.50 1.79 -1.64 0.00 0.00 178.16 178.61 3b6p h THR 184 N 1.03 1.35 -0.23 1.81 1.35 -1.20 -1.48 112.91 115.55 3b6p h THR 184 Ca 0.26 -1.72 -0.16 0.00 -0.55 0.00 0.00 66.41 64.24 3b6p h THR 184 Cb 0.05 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 3b6p h THR 184 CO -0.04 0.50 -0.51 0.03 -0.25 0.00 0.00 175.52 175.25 3b6p h ARG 185 N 0.10 0.64 0.20 4.72 3.08 -1.24 -1.31 114.38 120.56 3b6p h ARG 185 Ca 0.00 -0.38 -0.31 0.00 0.07 0.00 0.00 59.98 59.36 3b6p h ARG 185 Cb 0.91 0.04 0.02 0.00 0.08 0.00 0.00 29.97 31.02 3b6p h ARG 185 CO 0.07 0.99 -1.46 -0.07 -1.07 0.00 0.00 179.97 178.43 3b6p h LEU 186 N 0.50 0.66 -0.19 3.04 3.38 -1.37 -3.40 115.31 117.93 3b6p h LEU 186 Ca 0.02 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.07 3b6p h LEU 186 Cb 1.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3b6p h LEU 186 CO 0.10 1.68 -0.33 -1.22 0.09 0.00 0.00 178.44 178.76 3b6p n TYR 187 N -3.77 0.00 -1.53 1.13 4.02 -0.57 -4.27 117.16 112.18 3b6p n TYR 187 Ca -0.20 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.52 3b6p n TYR 187 Cb 1.03 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 40.28 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 -0.95 -0.05 -4.22 -0.72 7.02 -0.49 -4.88 117.44 113.16 3b6p n TRP 188 Ca 0.02 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.31 3b6p n TRP 188 Cb 0.14 -2.88 -0.12 0.00 -2.42 0.00 0.00 31.31 26.03 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 -3.48 0.89 0.37 -0.99 -0.21 -1.26 -5.04 119.66 109.93 3b6p s GLN 189 Ca 0.00 -0.97 -0.26 0.00 0.02 0.00 0.00 55.36 54.16 3b6p s GLN 189 Cb 0.00 -0.94 -0.09 0.00 1.00 0.00 0.00 33.01 32.98 3b6p s GLN 189 CO 0.00 0.21 1.10 0.00 -2.12 0.00 0.00 175.29 174.48 3b6p s ALA 190 N -1.20 3.19 0.62 6.09 0.00 -1.26 -3.85 121.76 125.36 3b6p s ALA 190 Ca -0.00 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 52.63 3b6p s ALA 190 Cb -0.10 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 3b6p s ALA 190 CO 0.02 -0.29 1.13 -2.14 0.00 0.00 0.00 175.76 174.48 3b6p s PRO 191 N -2.15 2.94 0.11 0.00 0.02 -1.26 -5.05 135.00 129.61 3b6p s PRO 191 Ca 0.54 1.52 -0.01 0.00 0.02 0.00 0.00 61.00 63.07 3b6p s PRO 191 Cb -0.27 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.24 3b6p s PRO 191 CO 0.34 -1.16 0.29 0.95 -0.33 0.00 0.00 177.00 177.09 3b6p s THR 192 N -2.08 5.29 -1.31 0.99 -4.23 -1.26 -4.56 115.64 108.48 3b6p s THR 192 Ca 0.70 -0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 60.92 3b6p s THR 192 Cb -0.23 -3.65 -0.00 0.00 1.34 0.00 0.00 72.50 69.96 3b6p s THR 192 CO 0.36 0.05 0.66 0.47 -0.54 0.00 0.00 174.62 175.63 3b6p n ASP 193 N 0.05 -1.32 -4.76 3.99 8.00 -1.26 -4.71 116.55 116.54 3b6p n ASP 193 Ca -0.04 -0.86 -0.38 0.00 0.71 0.00 0.00 54.79 54.22 3b6p n ASP 193 Cb 0.52 -3.90 0.02 0.00 -0.02 0.00 0.00 41.12 37.74 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 -4.31 5.67 -1.89 -2.24 0.01 -1.26 -3.22 113.70 106.46 3b6p s SER 194 Ca 0.03 2.56 0.00 0.00 1.31 0.00 0.00 55.95 59.85 3b6p s SER 194 Cb -0.01 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.60 3b6p s SER 194 CO 0.82 -1.28 0.00 1.41 0.41 0.00 0.00 173.24 174.61 3b6p n HIS 195 N -0.79 -0.43 -4.77 2.43 8.25 -1.26 -4.83 115.22 113.82 3b6p n HIS 195 Ca 0.09 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.24 3b6p n HIS 195 Cb 0.46 -3.53 -0.13 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 -2.84 2.84 0.15 1.59 -4.23 -1.20 -4.11 115.64 107.84 3b6p s THR 196 Ca 0.00 -1.04 -0.17 0.00 -1.18 0.00 0.00 61.69 59.31 3b6p s THR 196 Cb 0.00 -2.16 0.02 0.00 1.34 0.00 0.00 72.50 71.70 3b6p s THR 196 CO 0.00 0.43 1.73 0.00 -0.54 0.00 0.00 174.62 176.24 3b6p h ALA 197 N 4.83 0.37 -0.28 3.99 0.00 -1.88 0.48 119.26 126.76 3b6p h ALA 197 Ca -0.47 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 3b6p h ALA 197 Cb 1.15 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3b6p h ALA 197 CO 0.49 -0.32 -0.41 1.49 0.00 0.00 0.00 179.25 180.49 3b6p h GLU 198 N 0.20 0.77 -0.67 0.00 4.81 -1.90 -2.52 114.58 115.26 3b6p h GLU 198 Ca 0.16 -0.45 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 3b6p h GLU 198 Cb 0.17 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3b6p h GLU 198 CO -0.20 1.08 0.39 0.78 -0.73 0.00 0.00 179.01 180.33 3b6p h GLY 199 N 0.52 0.99 1.94 1.92 0.00 -1.66 -1.72 103.07 105.07 3b6p h GLY 199 Ca 0.03 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 3b6p h GLY 199 CO 0.09 0.42 -0.61 -0.55 0.00 0.00 0.00 176.54 175.89 3b6p h ASP 200 N 0.92 0.07 -0.21 0.19 3.32 -0.93 -1.61 116.42 118.16 3b6p h ASP 200 Ca 0.24 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 3b6p h ASP 200 Cb 0.00 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3b6p h ASP 200 CO -0.04 0.66 -0.13 0.58 -1.72 0.00 0.00 179.24 178.59 3b6p h VAL 201 N 0.04 1.31 -0.44 -1.35 2.07 -1.26 -0.65 116.25 115.98 3b6p h VAL 201 Ca -0.01 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.22 3b6p h VAL 201 Cb 1.08 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 3b6p h VAL 201 CO 0.08 0.37 -0.02 -0.07 0.02 0.00 0.00 177.57 177.96 3b6p h LEU 202 N 0.16 0.69 -0.46 2.57 3.38 -1.27 0.21 115.31 120.59 3b6p h LEU 202 Ca 0.04 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3b6p h LEU 202 Cb 0.64 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3b6p h LEU 202 CO 0.04 0.77 0.08 0.74 0.09 0.00 0.00 178.44 180.16 3b6p h THR 203 N 0.67 1.25 -0.47 0.22 2.02 -1.29 -1.66 112.91 113.65 3b6p h THR 203 Ca 0.13 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 3b6p h THR 203 Cb 0.45 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 3b6p h THR 203 CO 0.02 0.32 0.18 0.25 0.37 0.00 0.00 175.52 176.65 3b6p h LEU 204 N 0.63 0.66 -0.92 2.58 5.85 -0.63 -2.37 115.31 121.10 3b6p h LEU 204 Ca 0.14 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3b6p h LEU 204 Cb 0.38 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3b6p h LEU 204 CO 0.01 0.66 0.61 0.25 -0.34 0.00 0.00 178.44 179.62 3b6p h LEU 205 N 0.62 1.03 -0.56 2.25 7.12 -0.52 -0.88 115.31 124.37 3b6p h LEU 205 Ca 0.16 -0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.13 3b6p h LEU 205 Cb 0.21 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 40.07 3b6p h LEU 205 CO -0.01 0.73 0.28 0.28 -0.13 0.00 0.00 178.44 179.59 3b6p h SER 206 N 1.21 0.72 -0.53 1.25 0.02 -1.10 -2.05 113.55 113.08 3b6p h SER 206 Ca 0.35 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 61.09 3b6p h SER 206 Cb -0.08 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3b6p h SER 206 CO -0.09 0.63 -0.02 0.40 -1.14 0.00 0.00 176.83 176.61 3b6p h ILE 207 N 0.75 1.26 0.00 3.27 2.04 -1.04 -2.86 117.51 120.94 3b6p h ILE 207 Ca 0.19 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.92 3b6p h ILE 207 Cb 0.09 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3b6p h ILE 207 CO -0.03 0.41 0.00 0.00 0.00 0.00 0.00 178.15 178.53 3b6p n GLN 209 N -1.78 0.99 0.00 0.00 6.02 -0.79 -3.85 117.38 117.98 3b6p n GLN 209 Ca 0.05 -0.49 -0.12 0.00 -0.01 0.00 0.00 57.00 56.42 3b6p n GLN 209 Cb 0.29 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 29.98 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 1.21 0.05 -2.32 1.08 7.01 -1.56 -3.38 115.95 118.03 3b6p h TRP 210 Ca 0.00 -0.01 -0.59 0.00 2.11 0.00 0.00 58.89 60.41 3b6p h TRP 210 Cb 0.43 -0.01 -0.39 0.00 -2.10 0.00 0.00 29.16 27.09 3b6p h TRP 210 CO 0.00 0.29 -0.95 1.63 -2.79 0.00 0.00 178.44 176.62 3b6p n LYS 211 N -4.94 0.68 -0.09 2.65 4.76 -1.26 -3.83 118.16 116.14 3b6p n LYS 211 Ca -0.07 -3.43 -0.11 0.00 -2.87 0.00 0.00 58.31 51.83 3b6p n LYS 211 Cb 0.15 -1.64 0.03 0.00 -1.84 0.00 0.00 35.03 31.73 3b6p n LYS 211 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3b6p h PRO 212 N 5.03 0.82 -0.56 1.97 0.11 -1.74 -1.21 132.00 136.41 3b6p h PRO 212 Ca 0.19 -0.41 -0.11 0.00 0.11 0.00 0.00 66.00 65.78 3b6p h PRO 212 Cb 0.87 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 3b6p h PRO 212 CO 0.47 1.05 -0.09 1.96 -0.21 0.00 0.00 178.00 181.17 3b6p h GLN 213 N 0.68 1.05 -0.01 1.05 4.20 -1.90 0.20 115.11 120.37 3b6p h GLN 213 Ca 0.06 -0.38 -0.13 0.00 0.06 0.00 0.00 58.65 58.26 3b6p h GLN 213 Cb 0.93 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 3b6p h GLN 213 CO 0.09 1.07 -0.62 0.00 -0.67 0.00 0.00 178.83 178.70 3b6p h ALA 214 N 0.95 0.95 0.01 3.87 0.00 -1.98 -2.44 119.26 120.62 3b6p h ALA 214 Ca 0.15 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3b6p h ALA 214 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3b6p h ALA 214 CO 0.05 0.76 -0.00 1.25 0.00 0.00 0.00 179.25 181.31 3b6p h LEU 215 N 0.03 -0.01 -1.20 0.00 7.12 -0.87 -2.34 115.31 118.04 3b6p h LEU 215 Ca -0.01 -0.35 -0.05 0.00 0.13 0.00 0.00 57.88 57.61 3b6p h LEU 215 Cb 1.10 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.21 3b6p h LEU 215 CO 0.08 0.34 0.02 -0.07 -0.13 0.00 0.00 178.44 178.69 3b6p h LEU 216 N -0.36 0.54 -0.67 2.25 3.38 -0.99 -0.55 115.31 118.91 3b6p h LEU 216 Ca -0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3b6p h LEU 216 Cb 0.36 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3b6p h LEU 216 CO 0.00 0.59 0.30 -0.61 0.09 0.00 0.00 178.44 178.82 3b6p h GLN 217 N 0.55 0.97 -0.24 1.13 4.15 -1.43 -2.24 115.11 118.00 3b6p h GLN 217 Ca 0.12 -0.15 -0.14 0.00 0.77 0.00 0.00 58.65 59.24 3b6p h GLN 217 Cb 0.32 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 3b6p h GLN 217 CO 0.01 0.78 -0.44 2.35 -1.93 0.00 0.00 178.83 179.60 3b6p h TRP 218 N 0.93 0.74 -0.38 3.99 7.01 -0.89 -3.12 115.95 124.23 3b6p h TRP 218 Ca 0.23 -0.23 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 3b6p h TRP 218 Cb 0.14 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 3b6p h TRP 218 CO 0.01 0.95 0.18 0.28 -2.79 0.00 0.00 178.44 177.07 3b6p h VAL 219 N 0.50 1.17 0.00 2.65 2.07 -0.92 -1.88 116.25 119.83 3b6p h VAL 219 Ca 0.03 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3b6p h VAL 219 Cb 0.97 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3b6p h VAL 219 CO 0.09 0.18 -0.04 0.44 0.02 0.00 0.00 177.57 178.26 3b6p h ASP 220 N 0.47 0.00 0.55 0.57 3.32 -1.43 -0.79 116.42 119.12 3b6p h ASP 220 Ca 0.13 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.90 3b6p h ASP 220 Cb 0.12 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 3b6p h ASP 220 CO -0.02 0.04 -1.58 -0.33 -1.72 0.00 0.00 179.24 175.63 3b6p h GLU 221 N 0.00 0.05 0.00 3.56 5.08 -1.38 -3.41 114.58 118.48 3b6p h GLU 221 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3b6p h GLU 221 Cb 0.24 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3b6p h GLU 221 CO 0.00 0.70 0.00 0.72 -1.00 0.00 0.00 179.01 179.44 3b6p n HIS 222 N -3.18 0.00 -2.05 4.33 8.25 -0.75 -5.02 115.22 116.80 3b6p n HIS 222 Ca -0.15 -0.12 -0.42 0.00 -0.26 0.00 0.00 57.72 56.76 3b6p n HIS 222 Cb 1.03 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 32.10 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 -0.25 3.57 0.09 -1.41 0.00 -0.33 -4.90 121.76 118.53 3b6p s ALA 223 Ca 0.00 0.84 0.04 0.00 0.00 0.00 0.00 51.96 52.84 3b6p s ALA 223 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 3b6p s ALA 223 CO 0.00 -1.46 0.02 -0.98 0.00 0.00 0.00 175.76 173.34 3b6p s ARG 224 N 4.09 2.63 0.36 0.00 1.70 -1.12 -4.90 118.95 121.71 3b6p s ARG 224 Ca 0.72 -0.80 -0.28 0.00 -0.47 0.00 0.00 55.73 54.89 3b6p s ARG 224 Cb -0.31 -2.59 -0.11 0.00 -0.57 0.00 0.00 34.95 31.37 3b6p s ARG 224 CO 0.28 0.55 1.49 -2.30 -1.08 0.00 0.00 175.30 174.24 3b6p n PRO 225 N 0.53 2.64 0.27 3.89 -0.02 -1.26 -0.78 135.00 140.27 3b6p n PRO 225 Ca -0.10 0.93 0.14 0.00 -2.02 0.00 0.00 63.50 62.44 3b6p n PRO 225 Cb 0.52 -2.66 0.74 0.00 -0.02 0.00 0.00 33.50 32.08 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 3.27 0.00 0.00 6.00 3.57 -1.46 -2.38 116.94 125.95 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 0.54 0.11 0.00 0.66 -2.23 0.00 0.00 178.31 177.38 3b6p h SER 227 N 0.00 0.00 0.77 0.41 4.64 -1.82 -2.16 113.55 115.39 3b6p h SER 227 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3b6p h SER 227 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3b6p h SER 227 CO 0.01 0.00 -0.36 0.35 -0.87 0.00 0.00 176.83 175.97 3b6p n THR 228 N -2.88 0.11 -2.30 2.95 -2.24 -0.89 -4.84 114.28 104.18 3b6p n THR 228 Ca -0.00 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.28 3b6p n THR 228 Cb 0.20 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.33 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 -3.04 4.07 0.31 2.28 1.01 -0.81 -5.01 120.40 119.22 3b6p s VAL 229 Ca 0.11 1.30 -0.28 0.00 0.00 0.00 0.00 61.98 63.10 3b6p s VAL 229 Cb 0.17 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 3b6p s VAL 229 CO 0.65 -0.12 1.10 -0.54 0.00 0.00 0.00 175.10 176.19 3b6p s LYS 230 N 3.68 4.49 0.61 2.72 1.02 -1.26 -4.95 119.74 126.04 3b6p s LYS 230 Ca 0.60 1.76 -0.19 0.00 0.02 0.00 0.00 55.97 58.17 3b6p s LYS 230 Cb -0.25 -3.02 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 3b6p s LYS 230 CO 0.19 0.09 1.23 -2.14 -0.92 0.00 0.00 175.35 173.80 3b6p s PRO 231 N -1.73 2.87 0.13 -1.68 0.02 -1.26 -4.35 135.00 129.00 3b6p s PRO 231 Ca 0.48 1.89 -0.16 0.00 0.02 0.00 0.00 61.00 63.23 3b6p s PRO 231 Cb -0.30 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.30 3b6p s PRO 231 CO 0.39 -1.30 1.66 1.98 -0.33 0.00 0.00 177.00 179.39 3b6p h MET 232 N 0.81 0.61 -3.58 5.54 4.05 -1.65 -3.46 114.93 117.24 3b6p h MET 232 Ca -0.51 -0.13 -0.06 0.00 -0.28 0.00 0.00 59.70 58.73 3b6p h MET 232 Cb 1.31 -0.09 -0.11 0.00 -0.80 0.00 0.00 31.60 31.90 3b6p h MET 232 CO 0.55 0.60 -0.14 1.52 0.23 0.00 0.00 176.91 179.67 3b6p s TYR 233 N -5.44 0.11 0.00 1.39 1.13 -1.26 -5.06 117.35 108.22 3b6p s TYR 233 Ca -0.13 -0.47 0.00 0.00 -1.41 0.00 0.00 57.07 55.06 3b6p s TYR 233 Cb 0.10 0.17 0.00 0.00 -1.10 0.00 0.00 41.96 41.13 3b6p s TYR 233 CO 0.76 -0.81 0.00 0.41 -2.51 0.00 0.00 175.55 173.40