#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbh s ALA 3 N 0.00 1.74 -0.44 2.98 0.00 -1.26 -5.12 121.76 119.66 3mbh s ALA 3 Ca 0.00 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.20 3mbh s ALA 3 Cb 0.00 -0.56 0.17 0.00 0.00 0.00 0.00 23.12 22.73 3mbh s ALA 3 CO 0.00 0.32 0.46 1.21 0.00 0.00 0.00 175.76 177.76 3mbh s ASN 4 N -0.03 0.50 0.00 0.00 3.04 -1.26 -5.16 114.94 112.03 3mbh s ASN 4 Ca -0.04 -2.48 0.00 0.00 0.04 0.00 0.00 52.86 50.38 3mbh s ASN 4 Cb -0.12 0.41 0.00 0.00 -1.54 0.00 0.00 41.25 39.99 3mbh s ASN 4 CO 0.03 -0.14 0.00 2.29 -3.04 0.00 0.00 177.10 176.23 3mbh n LYS 5 N 3.04 1.28 -3.69 0.43 2.85 -1.26 -5.02 118.16 115.78 3mbh n LYS 5 Ca 0.24 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.12 3mbh n LYS 5 Cb 0.50 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.76 3mbh n LYS 5 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3mbh s VAL 6 N 0.00 4.39 0.49 0.58 1.01 -1.26 -5.11 120.40 120.49 3mbh s VAL 6 Ca 0.00 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 3mbh s VAL 6 Cb 0.00 -3.24 -0.07 0.00 0.00 0.00 0.00 36.38 33.07 3mbh s VAL 6 CO 0.00 0.08 1.23 -0.54 0.00 0.00 0.00 175.10 175.86 3mbh s LYS 7 N 1.58 3.55 -0.06 2.72 1.02 -1.26 -4.76 119.74 122.53 3mbh s LYS 7 Ca 0.04 1.92 0.03 0.00 0.02 0.00 0.00 55.97 57.98 3mbh s LYS 7 Cb -0.17 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.76 3mbh s LYS 7 CO 0.05 -0.76 -0.13 0.15 -0.92 0.00 0.00 175.35 173.74 3mbh s LYS 8 N -2.77 2.67 -0.16 1.68 1.02 -1.26 -1.36 119.74 119.56 3mbh s LYS 8 Ca 0.66 -0.67 0.01 0.00 0.02 0.00 0.00 55.97 55.99 3mbh s LYS 8 Cb -0.32 -2.45 0.01 0.00 -0.52 0.00 0.00 37.83 34.54 3mbh s LYS 8 CO 0.39 0.57 -0.19 0.42 -0.92 0.00 0.00 175.35 175.63 3mbh s ILE 9 N -0.59 2.29 -0.20 2.17 1.01 0.19 -0.37 121.20 125.70 3mbh s ILE 9 Ca 0.09 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.56 3mbh s ILE 9 Cb -0.11 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.41 3mbh s ILE 9 CO 0.01 0.53 1.08 0.00 0.00 0.00 0.00 174.94 176.56 3mbh s ALA 10 N 1.03 3.64 -0.38 9.38 0.00 -0.31 -1.28 121.76 133.84 3mbh s ALA 10 Ca -0.01 0.27 -0.07 0.00 0.00 0.00 0.00 51.96 52.14 3mbh s ALA 10 Cb -0.14 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.49 3mbh s ALA 10 CO -0.06 -0.99 0.18 0.00 0.00 0.00 0.00 175.76 174.89 3mbh s ALA 11 N 3.04 3.16 -1.11 0.00 0.00 -0.54 -0.26 121.76 126.04 3mbh s ALA 11 Ca 0.47 -1.98 -0.08 0.00 0.00 0.00 0.00 51.96 50.37 3mbh s ALA 11 Cb -0.17 -2.45 0.28 0.00 0.00 0.00 0.00 23.12 20.79 3mbh s ALA 11 CO 0.10 -1.51 1.16 0.28 0.00 0.00 0.00 175.76 175.79 3mbh n VAL 12 N 4.84 4.67 -4.13 0.00 0.31 0.14 -1.27 118.33 122.89 3mbh n VAL 12 Ca -0.11 -5.46 -0.09 0.00 -0.01 0.00 0.00 64.34 58.68 3mbh n VAL 12 Cb 0.44 -2.53 -0.10 0.00 -0.91 0.00 0.00 33.84 30.74 3mbh n VAL 12 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3mbh s HIS 13 N -1.48 0.75 0.69 3.52 3.76 -1.23 -1.15 115.29 120.16 3mbh s HIS 13 Ca 0.31 -1.15 -0.11 0.00 -0.15 0.00 0.00 55.06 53.95 3mbh s HIS 13 Cb -0.08 -0.46 0.01 0.00 1.11 0.00 0.00 32.58 33.16 3mbh s HIS 13 CO -0.06 -0.44 1.06 0.16 -0.85 0.00 0.00 174.74 174.61 3mbh s ASP 14 N -3.01 5.48 -0.31 1.40 1.47 -1.21 -1.65 116.67 118.84 3mbh s ASP 14 Ca 0.17 1.45 -0.08 0.00 1.18 0.00 0.00 52.55 55.27 3mbh s ASP 14 Cb 0.08 -2.34 0.01 0.00 -0.34 0.00 0.00 42.92 40.33 3mbh s ASP 14 CO -0.03 -1.36 0.12 -0.22 0.68 0.00 0.00 175.17 174.36 3mbh s LEU 15 N -5.46 4.04 -0.09 2.11 2.96 -0.39 -1.87 118.68 119.98 3mbh s LEU 15 Ca 0.58 -0.70 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3mbh s LEU 15 Cb -0.13 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 3mbh s LEU 15 CO 0.54 -0.22 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.80 3mbh s SER 16 N 1.54 4.27 0.00 3.68 0.01 -1.26 -1.06 113.70 120.87 3mbh s SER 16 Ca 0.03 -0.19 0.13 0.00 1.31 0.00 0.00 55.95 57.23 3mbh s SER 16 Cb -0.17 -1.30 0.64 0.00 0.21 0.00 0.00 66.02 65.39 3mbh s SER 16 CO 0.04 0.27 1.33 0.61 0.41 0.00 0.00 173.24 175.90 3mbh n GLY 17 N 2.86 -0.73 1.34 3.44 0.00 -0.33 -4.79 105.19 106.98 3mbh n GLY 17 Ca -0.18 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 45.94 3mbh n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mbh n GLY 19 N -0.20 -2.74 3.05 -0.02 0.00 -1.26 -4.92 105.19 99.09 3mbh n GLY 19 Ca 0.06 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 3mbh n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mbh s ARG 20 N -4.14 2.97 0.30 1.61 0.52 -1.22 -4.94 118.95 114.05 3mbh s ARG 20 Ca 0.00 -3.22 0.03 0.00 -0.52 0.00 0.00 55.73 52.02 3mbh s ARG 20 Cb 0.00 -3.78 -0.06 0.00 0.52 0.00 0.00 34.95 31.63 3mbh s ARG 20 CO 0.00 -1.26 0.07 0.14 0.02 0.00 0.00 175.30 174.27 3mbh s VAL 21 N -1.24 0.96 0.00 3.52 -7.23 -1.26 -4.22 120.40 110.93 3mbh s VAL 21 Ca 0.26 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 3mbh s VAL 21 Cb -0.08 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.12 3mbh s VAL 21 CO -0.12 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.13 3mbh n SER 22 N -0.62 0.00 0.25 4.85 3.41 -1.26 -2.22 113.62 118.03 3mbh n SER 22 Ca -0.01 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.67 3mbh n SER 22 Cb 0.66 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.23 3mbh n SER 22 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3mbh h LEU 23 N 0.00 0.00 0.00 1.04 3.38 -1.68 0.37 115.31 118.42 3mbh h LEU 23 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mbh h LEU 23 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3mbh h LEU 23 CO 0.00 0.07 0.00 0.35 0.09 0.00 0.00 178.44 178.95 3mbh n THR 24 N -4.38 0.05 -0.07 0.22 -2.24 -0.94 -1.45 114.28 105.47 3mbh n THR 24 Ca -0.03 0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 3mbh n THR 24 Cb 0.15 -0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 67.75 3mbh n THR 24 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3mbh n VAL 25 N -1.10 0.77 -0.08 2.28 0.31 -0.03 -4.55 118.33 115.94 3mbh n VAL 25 Ca 0.18 -0.29 -0.10 0.00 -0.01 0.00 0.00 64.34 64.13 3mbh n VAL 25 Cb 0.14 -1.06 -0.03 0.00 -0.91 0.00 0.00 33.84 31.98 3mbh n VAL 25 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3mbh h VAL 26 N -0.06 1.16 0.53 2.52 2.07 -1.04 -2.38 116.25 119.06 3mbh h VAL 26 Ca -0.31 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 3mbh h VAL 26 Cb 1.45 1.02 0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3mbh h VAL 26 CO -0.07 0.17 -0.25 0.40 0.02 0.00 0.00 177.57 177.84 3mbh h ILE 27 N 0.27 0.48 -0.73 4.57 2.04 -1.50 -1.23 117.51 121.40 3mbh h ILE 27 Ca 0.09 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 3mbh h ILE 27 Cb 0.16 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3mbh h ILE 27 CO -0.01 0.01 0.25 1.55 0.00 0.00 0.00 178.15 179.95 3mbh h PRO 28 N -0.74 1.11 0.51 2.37 0.13 -1.78 -1.41 132.00 132.19 3mbh h PRO 28 Ca -0.07 -0.23 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 3mbh h PRO 28 Cb 0.56 -0.17 0.01 0.00 0.13 0.00 0.00 31.00 31.53 3mbh h PRO 28 CO 0.12 0.94 -0.25 0.82 -0.23 0.00 0.00 178.00 179.40 3mbh h ILE 29 N 1.06 0.45 -0.10 -3.56 2.04 -1.36 -1.75 117.51 114.29 3mbh h ILE 29 Ca 0.24 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 3mbh h ILE 29 Cb 0.27 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3mbh h ILE 29 CO -0.01 0.04 -0.38 -0.07 0.00 0.00 0.00 178.15 177.73 3mbh h LEU 30 N -0.85 0.23 -0.33 1.44 3.38 -1.26 -2.68 115.31 115.23 3mbh h LEU 30 Ca -0.07 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3mbh h LEU 30 Cb 0.59 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3mbh h LEU 30 CO 0.12 0.59 0.12 0.28 0.09 0.00 0.00 178.44 179.64 3mbh h SER 31 N 0.19 0.47 0.00 -0.43 0.02 -1.26 -0.93 113.55 111.60 3mbh h SER 31 Ca 0.02 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 3mbh h SER 31 Cb 0.76 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 3mbh h SER 31 CO 0.06 0.53 0.06 -1.20 -1.14 0.00 0.00 176.83 175.13 3mbh n SER 32 N -4.69 2.07 -0.13 3.07 7.64 -0.66 -3.94 113.62 116.99 3mbh n SER 32 Ca -0.01 -1.68 0.01 0.00 1.01 0.00 0.00 58.87 58.20 3mbh n SER 32 Cb 0.15 -0.48 0.01 0.00 -1.01 0.00 0.00 64.21 62.88 3mbh n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mbh n GLY 34 N 2.18 -0.11 3.47 0.23 0.00 -0.98 -5.03 105.19 104.95 3mbh n GLY 34 Ca 0.06 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3mbh n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mbh s PHE 35 N -0.51 2.64 -0.16 1.61 0.08 -0.39 -4.53 117.98 116.72 3mbh s PHE 35 Ca 0.03 -0.20 -0.29 0.00 0.12 0.00 0.00 56.93 56.59 3mbh s PHE 35 Cb 0.03 -1.55 -0.00 0.00 -0.57 0.00 0.00 43.02 40.93 3mbh s PHE 35 CO 0.00 0.22 1.02 -1.14 -0.10 0.00 0.00 175.22 175.23 3mbh s GLN 36 N -1.10 4.35 -0.25 0.44 0.74 -0.46 -3.40 119.66 119.98 3mbh s GLN 36 Ca 0.13 1.38 -0.10 0.00 0.05 0.00 0.00 55.36 56.82 3mbh s GLN 36 Cb -0.11 -3.58 -0.04 0.00 1.10 0.00 0.00 33.01 30.37 3mbh s GLN 36 CO 0.03 -0.45 0.14 0.08 -0.55 0.00 0.00 175.29 174.55 3mbh s VAL 37 N 2.52 5.08 -0.39 1.34 1.01 -1.26 -0.64 120.40 128.07 3mbh s VAL 37 Ca 0.46 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.47 3mbh s VAL 37 Cb -0.17 -3.38 0.08 0.00 0.00 0.00 0.00 36.38 32.90 3mbh s VAL 37 CO 0.13 0.32 0.18 0.00 0.00 0.00 0.00 175.10 175.73 3mbh s PRO 39 N 1.32 4.67 -0.77 0.00 0.04 -1.26 -1.47 135.00 137.53 3mbh s PRO 39 Ca 0.02 1.54 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 3mbh s PRO 39 Cb -0.22 -3.34 0.20 0.00 0.04 0.00 0.00 34.50 31.18 3mbh s PRO 39 CO -0.00 0.18 0.65 -1.17 0.04 0.00 0.00 177.00 176.71 3mbh s LEU 40 N -0.17 5.87 0.24 -3.56 2.96 -0.40 -4.89 118.68 118.73 3mbh s LEU 40 Ca 0.47 -3.00 -0.30 0.00 -0.22 0.00 0.00 54.13 51.09 3mbh s LEU 40 Cb -0.25 -2.01 -0.09 0.00 0.50 0.00 0.00 46.19 44.34 3mbh s LEU 40 CO 0.31 -0.40 1.25 -2.16 -1.32 0.00 0.00 176.35 174.04 3mbh s PRO 41 N -0.29 4.44 0.09 0.98 0.04 -1.26 -3.46 135.00 135.54 3mbh s PRO 41 Ca 0.20 2.01 0.22 0.00 0.04 0.00 0.00 61.00 63.47 3mbh s PRO 41 Cb -0.14 -3.18 -0.15 0.00 0.04 0.00 0.00 34.50 31.08 3mbh s PRO 41 CO -0.07 -0.14 0.78 0.25 0.04 0.00 0.00 177.00 177.87 3mbh n THR 42 N 2.02 0.48 -3.59 1.26 -2.24 -0.66 -4.82 114.28 106.73 3mbh n THR 42 Ca 0.03 -0.56 -0.06 0.00 -2.27 0.00 0.00 64.05 61.20 3mbh n THR 42 Cb 0.43 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 3mbh n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mbh s ALA 43 N -3.35 -2.02 -0.16 6.98 0.00 -1.26 -2.33 121.76 119.62 3mbh s ALA 43 Ca -0.04 1.60 0.01 0.00 0.00 0.00 0.00 51.96 53.53 3mbh s ALA 43 Cb 0.11 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.74 3mbh s ALA 43 CO 0.84 -0.46 -0.18 0.08 0.00 0.00 0.00 175.76 176.04 3mbh s VAL 44 N -1.89 2.39 0.09 0.00 1.01 -0.26 -1.26 120.40 120.48 3mbh s VAL 44 Ca 0.06 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.25 3mbh s VAL 44 Cb -0.01 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3mbh s VAL 44 CO -0.04 0.53 -0.17 -0.76 0.00 0.00 0.00 175.10 174.66 3mbh s LEU 45 N 0.93 2.31 0.47 3.92 1.02 -0.23 -0.04 118.68 127.06 3mbh s LEU 45 Ca -0.04 -0.67 0.14 0.00 0.02 0.00 0.00 54.13 53.59 3mbh s LEU 45 Cb -0.15 -0.65 1.08 0.00 0.02 0.00 0.00 46.19 46.49 3mbh s LEU 45 CO -0.03 -0.04 2.05 0.77 0.02 0.00 0.00 176.35 179.12 3mbh h SER 46 N 4.09 0.03 -5.02 2.29 4.64 -1.82 -0.87 113.55 116.89 3mbh h SER 46 Ca -0.43 -0.00 0.32 0.00 -0.47 0.00 0.00 61.79 61.21 3mbh h SER 46 Cb 1.19 -0.01 -0.16 0.00 -0.31 0.00 0.00 62.40 63.11 3mbh h SER 46 CO 0.42 0.13 0.89 0.54 -0.87 0.00 0.00 176.83 177.93 3mbh s ASN 47 N -7.01 -0.06 0.96 4.97 4.22 -1.26 -2.28 114.94 114.48 3mbh s ASN 47 Ca -0.05 -0.05 -0.12 0.00 -2.14 0.00 0.00 52.86 50.51 3mbh s ASN 47 Cb 0.16 0.10 0.17 0.00 1.28 0.00 0.00 41.25 42.96 3mbh s ASN 47 CO 0.69 -0.17 1.09 -1.38 -2.04 0.00 0.00 177.10 175.29 3mbh s HIS 48 N -2.27 2.06 -2.18 1.54 -3.43 -1.26 -4.82 115.29 104.93 3mbh s HIS 48 Ca 0.12 1.23 0.18 0.00 -0.80 0.00 0.00 55.06 55.79 3mbh s HIS 48 Cb 0.03 -3.19 0.65 0.00 -1.43 0.00 0.00 32.58 28.64 3mbh s HIS 48 CO -0.04 -2.77 1.48 0.25 -2.00 0.00 0.00 174.74 171.65 3mbh n THR 49 N -4.14 0.26 1.07 -5.38 -2.24 -1.26 -3.11 114.28 99.48 3mbh n THR 49 Ca 0.06 -0.35 0.12 0.00 -2.27 0.00 0.00 64.05 61.61 3mbh n THR 49 Cb 0.55 0.29 0.10 0.00 -2.10 0.00 0.00 70.33 69.17 3mbh n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mbh n GLN 50 N 0.28 0.97 -1.02 -0.78 6.02 -1.26 -4.71 117.38 116.87 3mbh n GLN 50 Ca 0.15 -0.75 -0.29 0.00 -0.01 0.00 0.00 57.00 56.10 3mbh n GLN 50 Cb 0.30 -1.48 0.19 0.00 1.02 0.00 0.00 30.24 30.27 3mbh n GLN 50 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3mbh s TYR 51 N -2.55 1.93 0.54 1.08 2.02 -1.18 -4.93 117.35 114.27 3mbh s TYR 51 Ca 0.19 1.05 0.40 0.00 -0.37 0.00 0.00 57.07 58.34 3mbh s TYR 51 Cb 0.18 -3.22 2.13 0.00 -0.40 0.00 0.00 41.96 40.65 3mbh s TYR 51 CO 0.59 -3.11 2.28 -1.35 -1.57 0.00 0.00 175.55 172.38 3mbh h PRO 52 N -2.06 0.00 -2.70 -1.71 0.11 -1.90 -3.45 132.00 120.29 3mbh h PRO 52 Ca -0.56 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.65 3mbh h PRO 52 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 3mbh h PRO 52 CO 0.56 0.01 0.49 0.20 -0.21 0.00 0.00 178.00 179.04 3mbh s GLY 53 N -4.16 0.21 -0.11 -0.55 0.00 -1.26 -5.19 107.32 96.26 3mbh s GLY 53 Ca -0.04 -0.49 -0.30 0.00 0.00 0.00 0.00 44.72 43.89 3mbh s GLY 53 CO 0.46 1.62 0.94 -0.11 0.00 0.00 0.00 173.10 176.01 3mbh s PHE 54 N -2.17 -0.39 0.35 1.90 -0.71 -1.26 -4.88 117.98 110.81 3mbh s PHE 54 Ca 0.20 0.59 -0.12 0.00 -1.04 0.00 0.00 56.93 56.56 3mbh s PHE 54 Cb -0.03 0.47 -0.07 0.00 -1.21 0.00 0.00 43.02 42.17 3mbh s PHE 54 CO 0.07 -0.41 0.72 -1.54 -1.34 0.00 0.00 175.22 172.72 3mbh s SER 55 N -1.44 6.63 -0.12 1.98 1.04 -1.26 -4.95 113.70 115.58 3mbh s SER 55 Ca -0.01 1.15 -0.05 0.00 0.48 0.00 0.00 55.95 57.52 3mbh s SER 55 Cb -0.01 -2.32 0.06 0.00 0.10 0.00 0.00 66.02 63.85 3mbh s SER 55 CO 0.00 -0.27 0.25 0.12 0.98 0.00 0.00 173.24 174.31 3mbh s PHE 56 N -2.14 -0.38 -0.21 5.02 5.36 -1.26 -2.74 117.98 121.63 3mbh s PHE 56 Ca 0.52 0.90 0.02 0.00 -0.96 0.00 0.00 56.93 57.40 3mbh s PHE 56 Cb -0.10 -0.05 0.04 0.00 -0.34 0.00 0.00 43.02 42.56 3mbh s PHE 56 CO 0.24 -0.33 -0.16 -1.17 -1.46 0.00 0.00 175.22 172.35 3mbh s LEU 57 N 2.23 2.68 -0.07 6.12 2.96 0.95 -4.98 118.68 128.57 3mbh s LEU 57 Ca -0.00 -0.94 -0.30 0.00 -0.22 0.00 0.00 54.13 52.67 3mbh s LEU 57 Cb -0.12 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3mbh s LEU 57 CO -0.08 -0.08 1.20 -0.62 -1.32 0.00 0.00 176.35 175.45 3mbh s ASP 58 N 1.22 7.05 -0.16 3.68 -1.08 -1.26 -1.10 116.67 125.02 3mbh s ASP 58 Ca -0.01 1.80 0.17 0.00 -0.52 0.00 0.00 52.55 53.99 3mbh s ASP 58 Cb -0.16 -2.56 0.77 0.00 -1.46 0.00 0.00 42.92 39.51 3mbh s ASP 58 CO -0.10 -0.60 1.68 0.18 0.52 0.00 0.00 175.17 176.86 3mbh n LEU 59 N 5.32 5.14 -0.29 -1.34 4.77 -0.99 -4.59 117.00 125.03 3mbh n LEU 59 Ca 0.11 -2.60 0.10 0.00 -0.03 0.00 0.00 56.01 53.59 3mbh n LEU 59 Cb 0.46 -0.62 0.26 0.00 -2.33 0.00 0.00 43.42 41.19 3mbh n LEU 59 CO 0.55 0.76 1.02 0.74 -1.33 0.00 0.00 177.39 179.13 3mbh h THR 60 N 4.13 0.52 0.00 -5.08 2.02 -1.91 -1.08 112.91 111.51 3mbh h THR 60 Ca 0.00 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 3mbh h THR 60 Cb 1.64 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3mbh h THR 60 CO 0.32 0.07 -0.29 0.44 0.37 0.00 0.00 175.52 176.43 3mbh h ASP 61 N 0.39 0.00 -0.01 4.18 3.32 -1.97 -3.38 116.42 118.95 3mbh h ASP 61 Ca 0.51 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.47 3mbh h ASP 61 Cb 0.91 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 3mbh h ASP 61 CO -0.50 0.29 -0.16 1.21 -1.72 0.00 0.00 179.24 178.36 3mbh n GLU 62 N -3.26 1.45 0.00 3.56 4.07 -0.41 -4.41 120.64 121.63 3mbh n GLU 62 Ca 0.02 -0.46 0.00 0.00 -0.06 0.00 0.00 57.16 56.65 3mbh n GLU 62 Cb 0.57 -1.45 0.00 0.00 -0.06 0.00 0.00 31.44 30.50 3mbh n GLU 62 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3mbh n PRO 64 N 1.92 0.00 -0.09 5.31 -0.02 -1.26 -1.81 135.00 139.06 3mbh n PRO 64 Ca 0.19 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.56 3mbh n PRO 64 Cb 0.68 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.18 3mbh n PRO 64 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3mbh h LYS 65 N 0.00 0.84 0.04 -0.52 1.57 -1.94 -0.61 116.57 115.95 3mbh h LYS 65 Ca 0.00 -0.44 -0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3mbh h LYS 65 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3mbh h LYS 65 CO 0.00 1.08 -0.02 0.82 -0.57 0.00 0.00 179.45 180.76 3mbh h ILE 66 N 0.68 1.18 -0.50 1.86 2.04 -1.74 -2.61 117.51 118.42 3mbh h ILE 66 Ca 0.05 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.28 3mbh h ILE 66 Cb 0.97 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.64 3mbh h ILE 66 CO 0.09 0.18 0.19 0.40 0.00 0.00 0.00 178.15 179.01 3mbh h ILE 67 N -0.36 0.85 -0.83 -0.67 2.04 -1.82 0.90 117.51 117.62 3mbh h ILE 67 Ca -0.01 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.78 3mbh h ILE 67 Cb 0.33 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 3mbh h ILE 67 CO 0.01 0.07 0.54 0.00 0.00 0.00 0.00 178.15 178.77 3mbh h ALA 68 N 1.32 1.55 -0.23 1.87 0.00 -1.11 -0.43 119.26 122.23 3mbh h ALA 68 Ca 0.24 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.93 3mbh h ALA 68 Cb 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3mbh h ALA 68 CO -0.23 0.34 -0.61 0.93 0.00 0.00 0.00 179.25 179.68 3mbh h GLU 69 N 0.96 0.79 -0.55 0.00 4.39 -0.75 -2.47 114.58 116.95 3mbh h GLU 69 Ca 0.35 -0.54 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 3mbh h GLU 69 Cb 0.15 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 3mbh h GLU 69 CO -0.12 1.16 0.34 -1.49 -1.16 0.00 0.00 179.01 177.74 3mbh h TRP 70 N 0.59 0.71 -0.42 4.33 6.55 -0.25 -0.77 115.95 126.69 3mbh h TRP 70 Ca -0.00 0.01 -0.04 0.00 0.95 0.00 0.00 58.89 59.80 3mbh h TRP 70 Cb 1.22 -0.24 -0.02 0.00 -0.86 0.00 0.00 29.16 29.26 3mbh h TRP 70 CO 0.07 0.47 0.09 0.87 -1.05 0.00 0.00 178.44 178.89 3mbh h LYS 71 N 0.75 0.68 -0.62 0.49 1.57 -0.97 -2.46 116.57 116.02 3mbh h LYS 71 Ca 0.20 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3mbh h LYS 71 Cb -0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3mbh h LYS 71 CO -0.04 0.70 0.41 0.87 -0.57 0.00 0.00 179.45 180.82 3mbh h LYS 72 N 0.55 0.72 0.00 3.15 1.57 -0.91 -1.58 116.57 120.06 3mbh h LYS 72 Ca 0.13 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3mbh h LYS 72 Cb 0.34 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3mbh h LYS 72 CO 0.00 0.47 0.00 -0.07 -0.57 0.00 0.00 179.45 179.29 3mbh h LEU 73 N 0.74 0.00 0.41 2.94 3.38 -0.80 -3.47 115.31 118.51 3mbh h LEU 73 Ca 0.25 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.89 3mbh h LEU 73 Cb 0.06 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.88 3mbh h LEU 73 CO -0.07 0.00 -0.50 -0.62 0.09 0.00 0.00 178.44 177.35 3mbh n GLU 74 N -2.32 -4.38 -2.67 1.13 1.02 -0.59 -4.97 120.64 107.86 3mbh n GLU 74 Ca 0.03 0.72 -0.38 0.00 -0.02 0.00 0.00 57.16 57.51 3mbh n GLU 74 Cb 0.31 -5.21 -0.05 0.00 -0.02 0.00 0.00 31.44 26.46 3mbh n GLU 74 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3mbh s VAL 75 N -3.09 3.94 -0.04 2.62 0.11 -1.08 -5.04 120.40 117.82 3mbh s VAL 75 Ca 0.28 1.74 0.07 0.00 -2.93 0.00 0.00 61.98 61.14 3mbh s VAL 75 Cb -0.12 -4.02 -0.01 0.00 -1.53 0.00 0.00 36.38 30.69 3mbh s VAL 75 CO 0.35 0.25 -0.24 -1.10 -3.33 0.00 0.00 175.10 171.03 3mbh s GLN 76 N -1.79 2.21 -0.04 1.54 -1.52 -1.26 -4.92 119.66 113.88 3mbh s GLN 76 Ca 0.48 -0.87 0.01 0.00 -1.95 0.00 0.00 55.36 53.03 3mbh s GLN 76 Cb -0.24 -2.00 -0.03 0.00 -0.22 0.00 0.00 33.01 30.52 3mbh s GLN 76 CO 0.30 0.45 -0.06 -0.06 -0.25 0.00 0.00 175.29 175.67 3mbh s PHE 77 N -0.37 2.94 -0.17 0.91 0.08 -1.26 -4.81 117.98 115.31 3mbh s PHE 77 Ca 0.03 0.02 0.16 0.00 0.12 0.00 0.00 56.93 57.26 3mbh s PHE 77 Cb -0.11 -1.68 0.12 0.00 -0.57 0.00 0.00 43.02 40.77 3mbh s PHE 77 CO 0.01 0.36 1.47 -0.44 -0.10 0.00 0.00 175.22 176.52 3mbh h ASP 78 N 4.98 0.00 -5.06 1.36 3.32 -1.09 -3.45 116.42 116.48 3mbh h ASP 78 Ca -0.49 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.46 3mbh h ASP 78 Cb 1.17 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.55 3mbh h ASP 78 CO 0.53 0.46 -0.30 0.00 -1.72 0.00 0.00 179.24 178.21 3mbh s ALA 79 N -3.01 -0.57 -0.09 3.45 0.00 -1.05 -2.15 121.76 118.36 3mbh s ALA 79 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.91 3mbh s ALA 79 Cb 0.07 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.53 3mbh s ALA 79 CO 0.74 -0.40 -0.12 0.42 0.00 0.00 0.00 175.76 176.40 3mbh s ILE 80 N -2.61 1.18 -0.17 0.00 1.01 -0.40 -1.16 121.20 119.04 3mbh s ILE 80 Ca -0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 3mbh s ILE 80 Cb -0.01 -1.10 0.04 0.00 0.01 0.00 0.00 42.46 41.40 3mbh s ILE 80 CO -0.04 0.37 -0.05 -0.47 0.00 0.00 0.00 174.94 174.76 3mbh s TYR 81 N 0.99 1.71 0.15 3.97 5.04 0.64 -0.47 117.35 129.38 3mbh s TYR 81 Ca -0.08 -1.12 0.07 0.00 -2.44 0.00 0.00 57.07 53.50 3mbh s TYR 81 Cb -0.15 -1.31 -0.04 0.00 0.35 0.00 0.00 41.96 40.81 3mbh s TYR 81 CO -0.00 -0.63 -0.01 0.95 -1.34 0.00 0.00 175.55 174.52 3mbh s THR 82 N 1.63 3.73 0.00 4.34 -4.23 -0.32 0.27 115.64 121.06 3mbh s THR 82 Ca 0.00 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 3mbh s THR 82 Cb -0.16 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.84 3mbh s THR 82 CO -0.08 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 3mbh n GLY 83 N 0.10 4.05 3.69 3.99 0.00 -0.30 -1.29 105.19 115.44 3mbh n GLY 83 Ca -0.10 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3mbh n GLY 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3mbh s TYR 84 N 2.40 2.05 0.10 1.61 6.14 -1.26 -4.47 117.35 123.92 3mbh s TYR 84 Ca 0.00 -0.06 0.04 0.00 0.64 0.00 0.00 57.07 57.70 3mbh s TYR 84 Cb 0.00 -4.17 -0.04 0.00 0.42 0.00 0.00 41.96 38.17 3mbh s TYR 84 CO 0.00 -4.89 0.06 -0.51 0.64 0.00 0.00 175.55 170.85 3mbh s LEU 85 N 2.97 3.66 0.27 6.97 1.43 -1.26 -3.33 118.68 129.39 3mbh s LEU 85 Ca 0.81 -0.11 0.23 0.00 -1.03 0.00 0.00 54.13 54.03 3mbh s LEU 85 Cb -0.45 -2.34 0.12 0.00 0.03 0.00 0.00 46.19 43.55 3mbh s LEU 85 CO 0.37 0.15 1.22 1.23 0.23 0.00 0.00 176.35 179.55 3mbh h GLY 86 N 3.15 0.00 -2.98 -3.19 0.00 -1.95 -3.48 103.07 94.62 3mbh h GLY 86 Ca -0.47 0.00 0.04 0.00 0.00 0.00 0.00 47.33 46.90 3mbh h GLY 86 CO 0.63 0.00 0.32 -1.35 0.00 0.00 0.00 176.54 176.14 3mbh s SER 87 N -5.55 -0.45 0.56 0.19 1.04 -1.26 -4.92 113.70 103.30 3mbh s SER 87 Ca 0.02 -0.08 0.24 0.00 0.48 0.00 0.00 55.95 56.61 3mbh s SER 87 Cb 0.08 0.53 1.56 0.00 0.10 0.00 0.00 66.02 68.30 3mbh s SER 87 CO 0.75 -0.89 2.18 -0.65 0.98 0.00 0.00 173.24 175.61 3mbh h PRO 88 N 2.00 0.00 0.00 4.02 0.11 -1.92 -1.52 132.00 134.69 3mbh h PRO 88 Ca -0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 3mbh h PRO 88 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3mbh h PRO 88 CO 0.34 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.05 3mbh h ARG 89 N 0.00 0.00 0.00 1.05 3.08 -1.96 -2.82 114.38 113.73 3mbh h ARG 89 Ca 0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3mbh h ARG 89 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3mbh h ARG 89 CO -0.00 0.07 -0.16 1.96 -1.07 0.00 0.00 179.97 180.77 3mbh h GLN 90 N 0.00 0.00 -0.77 0.04 4.20 -1.67 -3.21 115.11 113.70 3mbh h GLN 90 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3mbh h GLN 90 Cb 0.36 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 3mbh h GLN 90 CO 0.01 0.16 0.48 0.82 -0.67 0.00 0.00 178.83 179.63 3mbh h ILE 91 N 0.00 1.21 -0.40 2.54 5.03 -1.67 0.16 117.51 124.38 3mbh h ILE 91 Ca -0.00 -0.45 -0.03 0.00 -0.12 0.00 0.00 64.86 64.26 3mbh h ILE 91 Cb 0.55 0.12 -0.02 0.00 -3.03 0.00 0.00 36.82 34.44 3mbh h ILE 91 CO 0.02 0.22 0.15 -0.61 -0.68 0.00 0.00 178.15 177.24 3mbh h GLN 92 N 1.05 0.61 -0.31 2.37 5.75 -1.78 0.30 115.11 123.10 3mbh h GLN 92 Ca 0.28 -0.12 0.06 0.00 -0.15 0.00 0.00 58.65 58.72 3mbh h GLN 92 Cb -0.06 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.34 3mbh h GLN 92 CO -0.05 0.59 -0.05 0.82 -2.65 0.00 0.00 178.83 177.48 3mbh h ILE 93 N 0.50 0.72 -0.37 2.39 2.04 -1.51 0.17 117.51 121.44 3mbh h ILE 93 Ca 0.13 -0.01 -0.14 0.00 1.00 0.00 0.00 64.86 65.84 3mbh h ILE 93 Cb 0.22 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3mbh h ILE 93 CO -0.01 0.01 -0.34 0.58 0.00 0.00 0.00 178.15 178.39 3mbh h VAL 94 N 0.03 1.28 -0.33 1.67 2.07 -0.34 -0.80 116.25 119.83 3mbh h VAL 94 Ca 0.15 -1.51 0.01 0.00 0.82 0.00 0.00 66.70 66.17 3mbh h VAL 94 Cb 0.22 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3mbh h VAL 94 CO -0.30 0.50 0.21 -1.28 0.02 0.00 0.00 177.57 176.72 3mbh h SER 95 N 0.71 0.36 -0.51 0.57 0.87 -0.17 0.21 113.55 115.59 3mbh h SER 95 Ca 0.07 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.58 3mbh h SER 95 Cb 0.91 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 3mbh h SER 95 CO 0.08 0.26 0.16 0.44 -0.53 0.00 0.00 176.83 177.24 3mbh h ASP 96 N 0.43 0.78 -0.31 6.23 3.32 -0.82 -0.66 116.42 125.39 3mbh h ASP 96 Ca 0.12 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3mbh h ASP 96 Cb -0.03 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3mbh h ASP 96 CO -0.04 0.74 0.09 0.15 -1.72 0.00 0.00 179.24 178.46 3mbh h PHE 97 N 0.81 0.50 -0.20 4.55 3.57 -0.72 -0.82 116.94 124.65 3mbh h PHE 97 Ca 0.18 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3mbh h PHE 97 Cb 0.26 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3mbh h PHE 97 CO 0.02 0.52 0.10 0.82 -2.23 0.00 0.00 178.31 177.54 3mbh h ILE 98 N 0.34 1.13 -0.49 1.41 2.04 -0.76 0.32 117.51 121.50 3mbh h ILE 98 Ca 0.10 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.68 3mbh h ILE 98 Cb 0.26 1.01 -0.08 0.00 -0.74 0.00 0.00 36.82 37.28 3mbh h ILE 98 CO -0.00 0.12 0.02 0.50 0.00 0.00 0.00 178.15 178.79 3mbh h LYS 99 N 0.19 0.14 0.00 2.37 3.64 -0.92 0.24 116.57 122.22 3mbh h LYS 99 Ca 0.07 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 3mbh h LYS 99 Cb 0.11 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3mbh h LYS 99 CO -0.01 0.09 -0.60 -0.44 -2.27 0.00 0.00 179.45 176.22 3mbh h ASP 100 N 0.14 0.00 0.00 4.20 3.32 -0.87 -3.34 116.42 119.87 3mbh h ASP 100 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3mbh h ASP 100 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3mbh h ASP 100 CO -0.39 0.58 -0.70 0.49 -1.72 0.00 0.00 179.24 177.50 3mbh n PHE 101 N -3.24 0.00 -2.14 4.55 3.01 0.08 -4.99 117.46 114.74 3mbh n PHE 101 Ca 0.01 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.09 3mbh n PHE 101 Cb 0.77 -0.02 -0.00 0.00 -0.01 0.00 0.00 39.48 40.22 3mbh n PHE 101 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 3mbh s ARG 102 N -2.32 3.83 0.37 -1.08 1.70 0.06 -4.60 118.95 116.91 3mbh s ARG 102 Ca 0.05 1.98 0.08 0.00 -0.47 0.00 0.00 55.73 57.37 3mbh s ARG 102 Cb 0.10 -2.58 -0.07 0.00 -0.57 0.00 0.00 34.95 31.83 3mbh s ARG 102 CO 0.56 -0.55 -0.04 -0.65 -1.08 0.00 0.00 175.30 173.54 3mbh s GLN 103 N -2.46 1.88 0.52 3.89 -0.21 -1.26 -5.01 119.66 117.00 3mbh s GLN 103 Ca 0.60 -2.02 0.17 0.00 0.02 0.00 0.00 55.36 54.14 3mbh s GLN 103 Cb -0.34 -1.64 1.27 0.00 1.00 0.00 0.00 33.01 33.30 3mbh s GLN 103 CO 0.42 0.04 2.12 -1.35 -2.12 0.00 0.00 175.29 174.40 3mbh h PRO 104 N 1.91 0.02 -0.66 2.91 0.11 -2.00 -1.63 132.00 132.67 3mbh h PRO 104 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3mbh h PRO 104 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3mbh h PRO 104 CO 0.75 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 178.31 3mbh n ASP 105 N -4.51 3.88 -4.70 -2.05 8.00 -1.26 -4.99 116.55 110.92 3mbh n ASP 105 Ca -0.01 -2.00 -0.36 0.00 0.71 0.00 0.00 54.79 53.13 3mbh n ASP 105 Cb 0.18 -0.44 0.08 0.00 -0.02 0.00 0.00 41.12 40.92 3mbh n ASP 105 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mbh n SER 106 N 1.64 1.60 -4.44 -2.24 7.64 -0.61 -4.99 113.62 112.22 3mbh n SER 106 Ca 0.24 0.75 -0.35 0.00 1.01 0.00 0.00 58.87 60.52 3mbh n SER 106 Cb 0.63 -1.52 -0.13 0.00 -1.01 0.00 0.00 64.21 62.18 3mbh n SER 106 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3mbh s LEU 107 N -4.42 3.31 -0.31 -3.43 2.96 -0.91 -4.95 118.68 110.92 3mbh s LEU 107 Ca 0.79 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 54.43 3mbh s LEU 107 Cb -0.36 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.50 3mbh s LEU 107 CO 0.44 0.03 0.07 -0.63 -1.32 0.00 0.00 176.35 174.94 3mbh s ILE 108 N 1.24 3.76 -0.17 6.68 -1.09 -1.26 -1.28 121.20 129.07 3mbh s ILE 108 Ca 0.04 -0.92 -0.02 0.00 -2.23 0.00 0.00 60.65 57.52 3mbh s ILE 108 Cb -0.15 -3.02 -0.01 0.00 -1.58 0.00 0.00 42.46 37.71 3mbh s ILE 108 CO 0.02 -0.02 -0.09 -0.69 -1.23 0.00 0.00 174.94 172.93 3mbh s VAL 109 N 1.44 3.23 -0.22 2.92 1.01 0.38 -0.50 120.40 128.67 3mbh s VAL 109 Ca 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3mbh s VAL 109 Cb -0.18 -2.41 0.05 0.00 0.00 0.00 0.00 36.38 33.84 3mbh s VAL 109 CO 0.02 0.48 -0.10 0.00 0.00 0.00 0.00 175.10 175.50 3mbh s ALA 110 N 0.83 2.14 -0.45 5.51 0.00 -0.42 -1.18 121.76 128.20 3mbh s ALA 110 Ca -0.03 -1.37 -0.27 0.00 0.00 0.00 0.00 51.96 50.30 3mbh s ALA 110 Cb -0.15 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.62 3mbh s ALA 110 CO 0.01 -0.97 1.01 0.34 0.00 0.00 0.00 175.76 176.16 3mbh s ASP 111 N 1.32 6.60 -1.36 0.00 -1.08 -0.41 -3.06 116.67 118.68 3mbh s ASP 111 Ca -0.04 0.37 -0.14 0.00 -0.52 0.00 0.00 52.55 52.22 3mbh s ASP 111 Cb -0.18 -2.49 0.09 0.00 -1.46 0.00 0.00 42.92 38.88 3mbh s ASP 111 CO -0.07 -1.09 1.97 -0.81 0.52 0.00 0.00 175.17 175.69 3mbh n PRO 112 N 7.35 3.14 -2.07 4.34 -0.04 -1.26 -4.03 135.00 142.43 3mbh n PRO 112 Ca 0.09 -3.06 -0.43 0.00 -0.04 0.00 0.00 63.50 60.06 3mbh n PRO 112 Cb 0.49 -3.24 -0.03 0.00 -0.04 0.00 0.00 33.50 30.68 3mbh n PRO 112 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3mbh s VAL 113 N 2.71 3.55 0.00 0.52 1.01 -1.26 -4.72 120.40 122.21 3mbh s VAL 113 Ca 0.47 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.99 3mbh s VAL 113 Cb 0.09 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3mbh s VAL 113 CO -0.02 -0.51 0.00 0.18 0.00 0.00 0.00 175.10 174.75 3mbh n LEU 114 N 10.17 0.42 0.00 3.92 4.77 -1.26 -4.77 117.00 130.25 3mbh n LEU 114 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3mbh n LEU 114 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3mbh n LEU 114 CO 0.69 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 3mbh n GLY 115 N 1.63 -1.16 3.72 -0.72 0.00 -1.26 -0.59 105.19 106.81 3mbh n GLY 115 Ca 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.18 3mbh n GLY 115 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mbh s ASP 116 N -4.00 -0.18 -1.36 1.61 -1.08 -0.36 -4.57 116.67 106.73 3mbh s ASP 116 Ca 0.00 -0.34 -0.10 0.00 -0.52 0.00 0.00 52.55 51.59 3mbh s ASP 116 Cb 0.00 0.44 0.08 0.00 -1.46 0.00 0.00 42.92 41.97 3mbh s ASP 116 CO 0.00 -0.80 0.57 0.59 0.52 0.00 0.00 175.17 176.05 3mbh n ASN 117 N -0.45 -4.00 -0.36 -0.34 4.13 -1.26 -1.70 115.26 111.27 3mbh n ASN 117 Ca -0.06 -0.47 -0.05 0.00 1.68 0.00 0.00 54.58 55.68 3mbh n ASN 117 Cb 0.61 -3.29 -0.02 0.00 -1.54 0.00 0.00 39.78 35.54 3mbh n ASN 117 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mbh n GLY 118 N -1.27 0.69 3.16 7.41 0.00 -1.26 -5.00 105.19 108.92 3mbh n GLY 118 Ca -0.01 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 3mbh n GLY 118 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3mbh s ARG 119 N -1.85 0.80 0.46 1.61 1.04 -0.69 -5.03 118.95 115.29 3mbh s ARG 119 Ca 0.00 -0.92 -0.22 0.00 -1.04 0.00 0.00 55.73 53.55 3mbh s ARG 119 Cb 0.00 -0.80 -0.08 0.00 -2.04 0.00 0.00 34.95 32.03 3mbh s ARG 119 CO 0.00 0.18 1.06 -0.51 -0.04 0.00 0.00 175.30 175.99 3mbh s LEU 120 N -1.68 3.94 0.90 -1.89 1.43 -1.26 -1.22 118.68 118.91 3mbh s LEU 120 Ca -0.02 2.02 -0.11 0.00 -1.03 0.00 0.00 54.13 54.99 3mbh s LEU 120 Cb -0.10 -4.42 0.13 0.00 0.03 0.00 0.00 46.19 41.84 3mbh s LEU 120 CO 0.02 -0.75 1.12 -1.22 0.23 0.00 0.00 176.35 175.75 3mbh n TYR 121 N -0.68 0.82 -1.65 0.29 4.01 0.24 -4.85 117.16 115.33 3mbh n TYR 121 Ca 0.08 0.39 -0.48 0.00 -0.16 0.00 0.00 57.90 57.73 3mbh n TYR 121 Cb 0.51 -2.01 -0.05 0.00 -0.31 0.00 0.00 39.34 37.49 3mbh n TYR 121 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3mbh n THR 122 N -4.08 0.06 -0.54 -0.72 -1.04 -1.26 -1.18 114.28 105.52 3mbh n THR 122 Ca 0.12 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 3mbh n THR 122 Cb 0.52 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 3mbh n THR 122 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3mbh n ASN 123 N 3.57 0.00 -4.78 8.00 3.02 -1.26 -5.02 115.26 118.79 3mbh n ASN 123 Ca 0.18 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.37 3mbh n ASN 123 Cb 0.26 -0.69 -0.04 0.00 -0.61 0.00 0.00 39.78 38.71 3mbh n ASN 123 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3mbh s PHE 124 N -2.79 3.16 0.00 3.10 0.40 -0.32 -5.14 117.98 116.39 3mbh s PHE 124 Ca 0.00 1.62 0.00 0.00 -0.60 0.00 0.00 56.93 57.95 3mbh s PHE 124 Cb 0.00 -3.14 0.00 0.00 0.51 0.00 0.00 43.02 40.39 3mbh s PHE 124 CO 0.00 -0.76 0.00 -0.40 0.70 0.00 0.00 175.22 174.76 3mbh n ASP 125 N -0.32 0.00 -1.72 1.36 5.68 -1.26 -4.84 116.55 115.45 3mbh n ASP 125 Ca 0.06 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.31 3mbh n ASP 125 Cb 0.50 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.47 3mbh n ASP 125 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3mbh n GLU 127 N 0.00 -1.84 0.00 0.11 2.13 -1.26 -4.78 120.64 115.00 3mbh n GLU 127 Ca 0.00 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.02 3mbh n GLU 127 Cb 0.00 -4.48 0.00 0.00 0.27 0.00 0.00 31.44 27.23 3mbh n GLU 127 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3mbh n VAL 129 N -1.93 0.00 -0.18 6.31 0.31 -1.26 -2.20 118.33 119.37 3mbh n VAL 129 Ca -0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.23 3mbh n VAL 129 Cb 0.31 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.27 3mbh n VAL 129 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3mbh h LYS 130 N 0.00 0.67 -1.76 5.55 1.57 -1.93 -1.61 116.57 119.06 3mbh h LYS 130 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3mbh h LYS 130 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3mbh h LYS 130 CO 0.00 0.44 0.00 0.39 -0.57 0.00 0.00 179.45 179.71 3mbh n GLU 131 N -4.74 0.40 0.00 3.15 -0.58 -0.94 -3.40 120.64 114.53 3mbh n GLU 131 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 3mbh n GLU 131 Cb 0.05 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 3mbh n GLU 131 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3mbh n ARG 133 N 1.19 0.00 -0.08 3.49 1.74 -0.61 -1.92 116.66 120.47 3mbh n ARG 133 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3mbh n ARG 133 Cb 0.20 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.59 3mbh n ARG 133 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3mbh h HIS 134 N 0.00 0.77 -0.61 -1.55 2.76 -1.85 -3.31 115.15 111.36 3mbh h HIS 134 Ca 0.00 -0.24 -0.08 0.00 -2.20 0.00 0.00 60.37 57.85 3mbh h HIS 134 Cb 0.00 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 3mbh h HIS 134 CO 0.00 0.96 0.06 1.25 -1.30 0.00 0.00 177.93 178.90 3mbh h LEU 135 N 0.35 1.00 -2.44 0.26 5.85 -1.72 -1.97 115.31 116.64 3mbh h LEU 135 Ca 0.04 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3mbh h LEU 135 Cb 0.85 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3mbh h LEU 135 CO 0.07 1.02 0.00 0.16 -0.34 0.00 0.00 178.44 179.34 3mbh h ILE 136 N 0.96 0.00 0.00 4.05 3.07 -1.86 -1.88 117.51 121.85 3mbh h ILE 136 Ca 0.18 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.47 3mbh h ILE 136 Cb 0.47 1.06 0.00 0.00 -0.27 0.00 0.00 36.82 38.09 3mbh h ILE 136 CO 0.02 0.00 0.00 0.71 -1.05 0.00 0.00 178.15 177.83 3mbh h THR 137 N 0.00 0.00 -0.01 0.16 1.35 -1.48 -2.32 112.91 110.62 3mbh h THR 137 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3mbh h THR 137 Cb 0.13 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 3mbh h THR 137 CO 0.00 0.00 -0.53 0.29 -0.25 0.00 0.00 175.52 175.03 3mbh n LYS 138 N -2.71 0.70 -3.44 4.72 4.76 -0.71 -4.52 118.16 116.97 3mbh n LYS 138 Ca 0.00 -0.53 -0.26 0.00 -2.87 0.00 0.00 58.31 54.66 3mbh n LYS 138 Cb 0.22 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.90 3mbh n LYS 138 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mbh s ALA 139 N -2.66 3.71 -0.09 7.82 0.00 -0.87 -4.93 121.76 124.74 3mbh s ALA 139 Ca 0.17 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.36 3mbh s ALA 139 Cb 0.18 -2.14 -0.25 0.00 0.00 0.00 0.00 23.12 20.91 3mbh s ALA 139 CO 0.64 0.15 0.49 -0.25 0.00 0.00 0.00 175.76 176.79 3mbh n ASP 140 N -1.30 1.55 -3.97 0.00 8.00 0.35 -3.20 116.55 117.98 3mbh n ASP 140 Ca -0.04 0.30 -0.23 0.00 0.71 0.00 0.00 54.79 55.53 3mbh n ASP 140 Cb 0.55 -0.49 -0.16 0.00 -0.02 0.00 0.00 41.12 40.99 3mbh n ASP 140 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mbh s VAL 141 N -2.58 0.89 0.09 2.53 1.01 -0.78 -1.13 120.40 120.43 3mbh s VAL 141 Ca -0.14 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3mbh s VAL 141 Cb 0.07 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3mbh s VAL 141 CO 0.79 0.30 -0.18 0.27 0.00 0.00 0.00 175.10 176.29 3mbh s ILE 142 N 0.79 1.44 -0.41 2.22 -4.36 -0.70 -1.30 121.20 118.87 3mbh s ILE 142 Ca -0.13 -1.42 0.11 0.00 -0.26 0.00 0.00 60.65 58.95 3mbh s ILE 142 Cb -0.15 -1.34 0.39 0.00 1.25 0.00 0.00 42.46 42.62 3mbh s ILE 142 CO 0.02 -0.12 0.92 0.35 0.24 0.00 0.00 174.94 176.35 3mbh n THR 143 N 1.21 1.36 -1.95 8.37 -2.24 -1.17 -1.09 114.28 118.77 3mbh n THR 143 Ca -0.20 -4.42 -0.39 0.00 -2.27 0.00 0.00 64.05 56.78 3mbh n THR 143 Cb 0.54 -0.43 0.02 0.00 -2.10 0.00 0.00 70.33 68.36 3mbh n THR 143 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3mbh s PRO 144 N -3.07 3.55 0.91 -0.78 0.04 -1.06 -4.65 135.00 129.93 3mbh s PRO 144 Ca 0.40 2.14 -0.13 0.00 0.04 0.00 0.00 61.00 63.45 3mbh s PRO 144 Cb 0.38 -2.47 0.14 0.00 0.04 0.00 0.00 34.50 32.59 3mbh s PRO 144 CO -0.08 -0.83 1.17 0.54 0.04 0.00 0.00 177.00 177.84 3mbh s ASN 145 N -0.93 3.56 0.32 6.66 2.20 -1.26 -0.66 114.94 124.83 3mbh s ASN 145 Ca 0.65 0.79 0.03 0.00 -0.94 0.00 0.00 52.86 53.39 3mbh s ASN 145 Cb -0.38 -1.25 0.54 0.00 -2.00 0.00 0.00 41.25 38.17 3mbh s ASN 145 CO 0.46 -2.50 1.86 0.25 -2.94 0.00 0.00 177.10 174.23 3mbh h LEU 146 N -1.47 0.56 -0.47 3.54 5.85 -1.49 0.35 115.31 122.19 3mbh h LEU 146 Ca -0.48 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.10 3mbh h LEU 146 Cb 1.32 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3mbh h LEU 146 CO 0.58 0.62 0.16 0.74 -0.34 0.00 0.00 178.44 180.20 3mbh h THR 147 N 0.58 1.22 -0.62 1.05 2.02 -1.88 -2.59 112.91 112.68 3mbh h THR 147 Ca 0.12 -0.72 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 3mbh h THR 147 Cb 0.33 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3mbh h THR 147 CO 0.01 0.26 0.10 -0.33 0.37 0.00 0.00 175.52 175.93 3mbh h GLU 148 N 0.62 1.02 -0.24 6.66 5.08 -1.54 -2.65 114.58 123.53 3mbh h GLU 148 Ca 0.15 -0.27 0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3mbh h GLU 148 Cb 0.25 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 3mbh h GLU 148 CO -0.01 0.96 -0.27 1.25 -1.00 0.00 0.00 179.01 179.94 3mbh h LEU 149 N 0.93 -0.86 -1.02 1.33 5.85 -0.72 0.10 115.31 120.92 3mbh h LEU 149 Ca 0.19 0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.99 3mbh h LEU 149 Cb 0.43 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3mbh h LEU 149 CO 0.01 -0.30 -0.00 -0.26 -0.34 0.00 0.00 178.44 177.55 3mbh h PHE 150 N -0.28 0.74 -0.59 1.25 0.04 -1.39 0.30 116.94 117.01 3mbh h PHE 150 Ca 0.13 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 3mbh h PHE 150 Cb 0.49 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 3mbh h PHE 150 CO -0.42 0.70 0.21 1.88 -0.60 0.00 0.00 178.31 180.07 3mbh h TYR 151 N 0.66 0.92 -0.68 -0.55 0.05 -1.13 0.97 116.97 117.21 3mbh h TYR 151 Ca 0.13 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 3mbh h TYR 151 Cb 0.42 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 3mbh h TYR 151 CO 0.02 0.76 0.21 -0.07 -1.05 0.00 0.00 178.16 178.03 3mbh h LEU 152 N 0.82 1.00 -0.02 3.88 3.38 -0.11 -2.52 115.31 121.75 3mbh h LEU 152 Ca 0.19 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3mbh h LEU 152 Cb 0.25 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3mbh h LEU 152 CO -0.01 0.95 0.00 0.18 0.09 0.00 0.00 178.44 179.65 3mbh n LEU 153 N -4.31 0.10 -3.23 1.67 4.77 0.03 -4.92 117.00 111.10 3mbh n LEU 153 Ca 0.05 0.51 -0.19 0.00 -0.03 0.00 0.00 56.01 56.35 3mbh n LEU 153 Cb 0.22 -0.48 0.07 0.00 -2.33 0.00 0.00 43.42 40.91 3mbh n LEU 153 CO 0.41 -0.07 0.18 -0.67 -1.33 0.00 0.00 177.39 175.91 3mbh n ASP 154 N -1.60 -4.46 -4.34 -1.43 2.03 0.17 -5.02 116.55 101.90 3mbh n ASP 154 Ca 0.06 -0.51 -0.21 0.00 0.52 0.00 0.00 54.79 54.65 3mbh n ASP 154 Cb 0.32 -4.59 -0.11 0.00 -0.72 0.00 0.00 41.12 36.02 3mbh n ASP 154 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3mbh s GLU 155 N -5.81 1.31 0.31 -0.67 0.41 -0.22 -5.04 118.70 108.99 3mbh s GLU 155 Ca 0.33 -1.47 -0.29 0.00 -0.41 0.00 0.00 54.97 53.13 3mbh s GLU 155 Cb -0.14 -1.31 -0.10 0.00 -1.78 0.00 0.00 34.13 30.80 3mbh s GLU 155 CO 0.65 0.25 1.22 -2.14 -0.49 0.00 0.00 175.26 174.76 3mbh s PRO 156 N -3.03 4.46 0.16 0.39 0.02 -1.26 -4.33 135.00 131.41 3mbh s PRO 156 Ca 0.18 2.05 -0.33 0.00 0.02 0.00 0.00 61.00 62.92 3mbh s PRO 156 Cb -0.05 -3.10 -0.16 0.00 0.02 0.00 0.00 34.50 31.21 3mbh s PRO 156 CO 0.07 -0.04 1.11 0.98 -0.33 0.00 0.00 177.00 178.79 3mbh n TYR 157 N 0.93 1.12 -3.82 6.54 9.36 -1.26 -4.98 117.16 125.04 3mbh n TYR 157 Ca -0.00 0.73 -0.12 0.00 3.32 0.00 0.00 57.90 61.82 3mbh n TYR 157 Cb 0.43 -2.24 -0.12 0.00 -0.63 0.00 0.00 39.34 36.78 3mbh n TYR 157 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 3mbh s LYS 158 N -0.42 0.24 0.14 2.98 -2.85 -1.26 -5.08 119.74 113.50 3mbh s LYS 158 Ca 0.74 0.12 0.13 0.00 -1.00 0.00 0.00 55.97 55.95 3mbh s LYS 158 Cb -0.89 0.11 -0.10 0.00 -2.06 0.00 0.00 37.83 34.90 3mbh s LYS 158 CO 0.53 -0.04 1.16 0.00 0.10 0.00 0.00 175.35 177.10 3mbh h ALA 159 N 5.61 0.58 -2.17 0.59 0.00 -2.02 -3.41 119.26 118.45 3mbh h ALA 159 Ca -0.26 -0.81 -0.62 0.00 0.00 0.00 0.00 54.91 53.22 3mbh h ALA 159 Cb 1.20 0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.63 3mbh h ALA 159 CO 0.40 1.01 -0.45 -0.40 0.00 0.00 0.00 179.25 179.81 3mbh n ASP 160 N -3.17 4.40 -4.80 0.00 3.85 -1.26 -4.54 116.55 111.03 3mbh n ASP 160 Ca -0.03 -3.56 -0.35 0.00 -0.71 0.00 0.00 54.79 50.13 3mbh n ASP 160 Cb 0.86 -0.68 -0.07 0.00 -1.35 0.00 0.00 41.12 39.88 3mbh n ASP 160 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 3mbh s SER 161 N -2.80 7.17 0.76 -1.12 0.01 -1.26 -5.06 113.70 111.40 3mbh s SER 161 Ca 0.43 1.73 -0.11 0.00 1.31 0.00 0.00 55.95 59.31 3mbh s SER 161 Cb 0.20 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.93 3mbh s SER 161 CO -0.06 -0.15 1.09 0.42 0.41 0.00 0.00 173.24 174.94 3mbh s THR 162 N -1.80 3.38 0.42 1.44 -4.23 -1.26 -4.88 115.64 108.71 3mbh s THR 162 Ca 0.53 0.45 0.08 0.00 -1.18 0.00 0.00 61.69 61.57 3mbh s THR 162 Cb -0.15 -3.25 0.28 0.00 1.34 0.00 0.00 72.50 70.72 3mbh s THR 162 CO 0.20 -0.59 2.05 0.44 -0.54 0.00 0.00 174.62 176.18 3mbh h ASP 163 N -0.91 0.45 -0.35 3.99 5.19 -1.99 -1.34 116.42 121.46 3mbh h ASP 163 Ca -0.46 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 55.86 3mbh h ASP 163 Cb 1.25 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 3mbh h ASP 163 CO 0.60 0.32 -0.06 -0.33 -3.12 0.00 0.00 179.24 176.64 3mbh h GLU 164 N 0.53 0.75 -0.52 3.56 4.39 -2.00 -1.44 114.58 119.85 3mbh h GLU 164 Ca 0.17 -0.23 -0.10 0.00 0.34 0.00 0.00 59.36 59.55 3mbh h GLU 164 Cb 0.04 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3mbh h GLU 164 CO -0.04 0.81 -0.06 0.93 -1.16 0.00 0.00 179.01 179.49 3mbh h GLU 165 N 0.69 0.96 -0.41 2.33 5.08 -1.76 -2.63 114.58 118.85 3mbh h GLU 165 Ca 0.13 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 58.04 3mbh h GLU 165 Cb 0.52 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3mbh h GLU 165 CO 0.03 1.00 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.75 3mbh h LEU 166 N 0.82 0.83 -1.17 1.33 3.38 -1.01 -1.19 115.31 118.30 3mbh h LEU 166 Ca 0.14 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3mbh h LEU 166 Cb 0.60 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3mbh h LEU 166 CO 0.04 1.02 0.28 0.11 0.09 0.00 0.00 178.44 179.98 3mbh h LYS 167 N 0.71 0.86 -0.51 1.13 1.57 -1.21 -1.46 116.57 117.67 3mbh h LYS 167 Ca 0.10 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 3mbh h LYS 167 Cb 0.73 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3mbh h LYS 167 CO 0.06 0.68 -0.17 1.49 -0.57 0.00 0.00 179.45 180.93 3mbh h GLU 168 N 0.86 1.01 -0.74 3.15 4.57 -1.06 -1.75 114.58 120.62 3mbh h GLU 168 Ca 0.21 -0.41 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 3mbh h GLU 168 Cb 0.10 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 3mbh h GLU 168 CO -0.03 1.09 0.41 1.88 -1.18 0.00 0.00 179.01 181.19 3mbh h TYR 169 N 0.87 1.00 -0.26 0.92 0.05 -0.73 -0.21 116.97 118.61 3mbh h TYR 169 Ca 0.12 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 3mbh h TYR 169 Cb 0.75 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 3mbh h TYR 169 CO 0.05 0.69 0.12 -0.07 -1.05 0.00 0.00 178.16 177.90 3mbh h LEU 170 N 1.03 0.34 -0.28 3.88 3.38 -0.97 -1.94 115.31 120.75 3mbh h LEU 170 Ca 0.26 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3mbh h LEU 170 Cb 0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3mbh h LEU 170 CO -0.04 0.39 0.14 0.03 0.09 0.00 0.00 178.44 179.04 3mbh h ARG 171 N 0.28 0.41 -0.43 1.13 3.08 -0.96 -0.11 114.38 117.77 3mbh h ARG 171 Ca 0.09 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.16 3mbh h ARG 171 Cb 0.14 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.05 3mbh h ARG 171 CO -0.01 0.38 0.04 -0.07 -1.07 0.00 0.00 179.97 179.24 3mbh h LEU 172 N 0.33 -0.10 -0.19 3.04 3.38 -0.84 -0.31 115.31 120.61 3mbh h LEU 172 Ca 0.10 0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.94 3mbh h LEU 172 Cb 0.11 0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.01 3mbh h LEU 172 CO -0.01 -0.02 -0.72 -0.07 0.09 0.00 0.00 178.44 177.71 3mbh h LEU 173 N 0.15 0.96 -0.75 1.67 3.38 -1.26 -3.27 115.31 116.19 3mbh h LEU 173 Ca 0.21 -0.60 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 3mbh h LEU 173 Cb 0.29 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3mbh h LEU 173 CO -0.32 1.40 0.11 -1.28 0.09 0.00 0.00 178.44 178.44 3mbh h SER 174 N 0.58 1.01 0.50 -0.43 0.87 -0.69 -1.82 113.55 113.56 3mbh h SER 174 Ca -0.04 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 3mbh h SER 174 Cb 1.35 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 63.04 3mbh h SER 174 CO 0.15 1.00 -0.05 0.44 -0.53 0.00 0.00 176.83 177.85 3mbh h ASP 175 N 0.99 0.00 1.09 6.23 3.32 -1.14 -0.81 116.42 126.10 3mbh h ASP 175 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3mbh h ASP 175 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3mbh h ASP 175 CO 0.01 0.05 -0.01 0.29 -1.72 0.00 0.00 179.24 177.86 3mbh n LYS 176 N -3.28 0.05 0.00 3.56 5.02 -0.69 -4.91 118.16 117.91 3mbh n LYS 176 Ca -0.01 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3mbh n LYS 176 Cb 0.22 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3mbh n LYS 176 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mbh n GLY 177 N 1.46 -0.92 3.66 0.72 0.00 -0.32 -4.53 105.19 105.26 3mbh n GLY 177 Ca 0.07 0.42 -0.42 0.00 0.00 0.00 0.00 46.02 46.09 3mbh n GLY 177 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mbh s PRO 178 N 0.00 4.15 0.30 1.61 0.01 -1.18 -4.86 135.00 135.04 3mbh s PRO 178 Ca 0.00 2.11 0.06 0.00 0.01 0.00 0.00 61.00 63.18 3mbh s PRO 178 Cb 0.00 -3.97 0.74 0.00 0.01 0.00 0.00 34.50 31.27 3mbh s PRO 178 CO 0.00 -0.87 1.77 0.37 0.01 0.00 0.00 177.00 178.28 3mbh h GLN 179 N 9.55 0.73 -5.12 5.54 4.15 -1.70 -3.40 115.11 124.86 3mbh h GLN 179 Ca -0.38 -0.04 -0.67 0.00 0.77 0.00 0.00 58.65 58.33 3mbh h GLN 179 Cb 1.17 -0.16 -0.32 0.00 0.21 0.00 0.00 27.48 28.38 3mbh h GLN 179 CO 0.96 0.48 -0.82 0.08 -1.93 0.00 0.00 178.83 177.60 3mbh s VAL 180 N -5.86 2.49 -0.07 2.39 1.01 -0.28 -0.99 120.40 119.09 3mbh s VAL 180 Ca -0.11 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.10 3mbh s VAL 180 Cb 0.25 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 3mbh s VAL 180 CO 0.80 0.51 -0.22 -0.69 0.00 0.00 0.00 175.10 175.51 3mbh s VAL 181 N 1.06 1.83 -0.11 2.92 1.01 -0.88 -1.72 120.40 124.50 3mbh s VAL 181 Ca -0.01 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3mbh s VAL 181 Cb -0.14 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.67 3mbh s VAL 181 CO -0.05 0.51 -0.14 -0.63 0.00 0.00 0.00 175.10 174.80 3mbh s ILE 182 N 0.19 1.42 -0.22 2.22 1.01 -0.25 -1.06 121.20 124.51 3mbh s ILE 182 Ca -0.12 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 3mbh s ILE 182 Cb -0.15 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 3mbh s ILE 182 CO 0.06 0.43 -0.01 -0.63 0.00 0.00 0.00 174.94 174.78 3mbh s ILE 183 N 1.17 3.65 0.47 2.92 1.01 0.17 -2.56 121.20 128.03 3mbh s ILE 183 Ca -0.03 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.30 3mbh s ILE 183 Cb -0.14 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.68 3mbh s ILE 183 CO -0.04 0.41 0.55 0.42 0.00 0.00 0.00 174.94 176.28 3mbh s THR 184 N 1.40 2.58 -1.42 2.92 -4.23 0.16 -0.92 115.64 116.12 3mbh s THR 184 Ca 0.05 -1.15 -0.06 0.00 -1.18 0.00 0.00 61.69 59.35 3mbh s THR 184 Cb -0.14 -2.73 0.01 0.00 1.34 0.00 0.00 72.50 70.98 3mbh s THR 184 CO -0.01 0.00 0.80 -1.20 -0.54 0.00 0.00 174.62 173.67 3mbh n SER 185 N -1.84 -6.07 -4.66 3.99 7.64 -1.14 -1.49 113.62 110.05 3mbh n SER 185 Ca 0.07 -0.37 -0.40 0.00 1.01 0.00 0.00 58.87 59.18 3mbh n SER 185 Cb 0.61 -4.81 -0.06 0.00 -1.01 0.00 0.00 64.21 58.94 3mbh n SER 185 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mbh s VAL 186 N -3.22 5.01 0.71 0.44 1.01 -0.58 -4.48 120.40 119.29 3mbh s VAL 186 Ca 0.40 1.24 -0.16 0.00 0.00 0.00 0.00 61.98 63.46 3mbh s VAL 186 Cb -0.18 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.26 3mbh s VAL 186 CO 0.49 0.11 1.22 -2.65 0.00 0.00 0.00 175.10 174.27 3mbh n PRO 187 N 4.99 0.73 -4.04 2.72 -0.02 -1.26 -1.10 135.00 137.03 3mbh n PRO 187 Ca -0.01 0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.44 3mbh n PRO 187 Cb 0.50 -2.46 -0.14 0.00 -0.02 0.00 0.00 33.50 31.38 3mbh n PRO 187 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mbh s VAL 188 N -1.68 3.46 -0.14 -1.45 1.01 -1.26 -4.77 120.40 115.58 3mbh s VAL 188 Ca 0.79 -0.47 -0.37 0.00 0.00 0.00 0.00 61.98 61.92 3mbh s VAL 188 Cb -0.35 -2.56 -0.14 0.00 0.00 0.00 0.00 36.38 33.33 3mbh s VAL 188 CO 0.45 0.44 1.72 0.00 0.00 0.00 0.00 175.10 177.70 3mbh n HIS 189 N 4.54 2.09 -0.87 5.22 1.44 -1.26 -1.55 115.22 124.82 3mbh n HIS 189 Ca -0.18 0.36 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 3mbh n HIS 189 Cb 0.51 -2.51 0.00 0.00 0.12 0.00 0.00 29.99 28.11 3mbh n HIS 189 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3mbh n ASP 190 N 5.23 -0.46 -3.76 4.39 5.75 -1.26 -4.91 116.55 121.53 3mbh n ASP 190 Ca 0.23 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.73 3mbh n ASP 190 Cb 0.20 -0.81 -0.12 0.00 -1.03 0.00 0.00 41.12 39.36 3mbh n ASP 190 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3mbh s GLU 191 N -0.33 1.95 0.10 0.11 0.41 -0.60 -4.97 118.70 115.38 3mbh s GLU 191 Ca 0.00 -2.89 0.18 0.00 -0.41 0.00 0.00 54.97 51.85 3mbh s GLU 191 Cb 0.00 -2.82 0.76 0.00 -1.78 0.00 0.00 34.13 30.28 3mbh s GLU 191 CO 0.00 -1.29 1.55 -0.35 -0.49 0.00 0.00 175.26 174.68 3mbh n PRO 192 N 2.38 0.08 -0.41 0.39 -0.04 -1.26 -2.14 135.00 134.00 3mbh n PRO 192 Ca 0.20 0.33 0.08 0.00 -0.04 0.00 0.00 63.50 64.07 3mbh n PRO 192 Cb 0.38 -1.65 0.26 0.00 -0.04 0.00 0.00 33.50 32.45 3mbh n PRO 192 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3mbh n HIS 193 N -1.80 0.98 -4.32 0.54 8.25 -1.26 -4.96 115.22 112.64 3mbh n HIS 193 Ca 0.03 -0.64 -0.25 0.00 -0.26 0.00 0.00 57.72 56.60 3mbh n HIS 193 Cb 0.19 -0.18 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 3mbh n HIS 193 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3mbh s LYS 194 N -1.79 2.10 0.15 -0.41 1.02 -0.91 -3.27 119.74 116.62 3mbh s LYS 194 Ca 0.39 -1.76 -0.00 0.00 0.02 0.00 0.00 55.97 54.62 3mbh s LYS 194 Cb 0.26 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.60 3mbh s LYS 194 CO 0.18 0.11 0.06 -0.08 -0.92 0.00 0.00 175.35 174.70 3mbh s THR 195 N -2.53 0.19 0.04 2.17 -1.32 -0.23 -4.20 115.64 109.78 3mbh s THR 195 Ca 0.35 -1.94 -0.04 0.00 -1.21 0.00 0.00 61.69 58.86 3mbh s THR 195 Cb 0.00 -2.14 -0.02 0.00 -1.51 0.00 0.00 72.50 68.84 3mbh s THR 195 CO 0.20 -0.39 0.05 -0.94 -2.21 0.00 0.00 174.62 171.33 3mbh s SER 196 N -3.09 0.27 -0.02 8.08 1.04 -0.25 -0.59 113.70 119.13 3mbh s SER 196 Ca 0.27 -0.67 0.06 0.00 0.48 0.00 0.00 55.95 56.08 3mbh s SER 196 Cb 0.07 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 3mbh s SER 196 CO 0.04 -0.53 -0.20 -0.69 0.98 0.00 0.00 173.24 172.84 3mbh s VAL 197 N -2.96 1.59 0.03 5.02 1.01 0.55 -1.53 120.40 124.13 3mbh s VAL 197 Ca -0.02 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.18 3mbh s VAL 197 Cb 0.01 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 3mbh s VAL 197 CO -0.06 0.45 -0.21 -0.31 0.00 0.00 0.00 175.10 174.97 3mbh s TYR 198 N -0.36 1.83 0.08 5.22 1.51 -0.10 -0.69 117.35 124.84 3mbh s TYR 198 Ca 0.05 -0.37 -0.09 0.00 -1.01 0.00 0.00 57.07 55.65 3mbh s TYR 198 Cb -0.09 -1.11 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 3mbh s TYR 198 CO 0.00 0.07 0.20 0.00 -1.11 0.00 0.00 175.55 174.70 3mbh s ALA 199 N -0.73 -0.28 -0.01 3.71 0.00 -0.24 0.44 121.76 124.66 3mbh s ALA 199 Ca 0.08 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.52 3mbh s ALA 199 Cb -0.09 0.45 -0.00 0.00 0.00 0.00 0.00 23.12 23.48 3mbh s ALA 199 CO 0.01 -0.48 -0.04 -0.47 0.00 0.00 0.00 175.76 174.78 3mbh s TYR 200 N -3.57 0.38 -0.21 0.00 5.04 -0.22 -0.05 117.35 118.72 3mbh s TYR 200 Ca 0.03 -0.07 0.01 0.00 -2.44 0.00 0.00 57.07 54.60 3mbh s TYR 200 Cb 0.04 -0.27 0.04 0.00 0.35 0.00 0.00 41.96 42.12 3mbh s TYR 200 CO -0.09 -0.02 -0.13 1.21 -1.34 0.00 0.00 175.55 175.18 3mbh s ASN 201 N 0.00 3.62 0.39 4.32 3.84 -0.50 -2.08 114.94 124.54 3mbh s ASN 201 Ca 0.00 -0.97 0.12 0.00 0.21 0.00 0.00 52.86 52.22 3mbh s ASN 201 Cb -0.03 -1.37 0.91 0.00 -0.55 0.00 0.00 41.25 40.21 3mbh s ASN 201 CO -0.00 -0.13 1.90 -0.09 -2.79 0.00 0.00 177.10 175.99 3mbh h ARG 202 N 7.91 0.56 -6.37 0.43 2.43 -1.38 0.09 114.38 118.06 3mbh h ARG 202 Ca -0.29 -0.03 -0.54 0.00 -0.81 0.00 0.00 59.98 58.30 3mbh h ARG 202 Cb 1.09 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.44 3mbh h ARG 202 CO 0.51 0.37 1.06 -0.65 -1.51 0.00 0.00 179.97 179.75 3mbh s GLN 203 N -5.56 3.20 0.00 0.20 -1.52 -1.26 -3.06 119.66 111.65 3mbh s GLN 203 Ca -0.09 -0.19 0.00 0.00 -1.95 0.00 0.00 55.36 53.13 3mbh s GLN 203 Cb 0.21 -4.17 0.00 0.00 -0.22 0.00 0.00 33.01 28.83 3mbh s GLN 203 CO 0.78 -2.13 0.00 0.41 -0.25 0.00 0.00 175.29 174.09 3mbh n GLY 204 N 5.37 2.12 3.42 3.09 0.00 -1.26 -4.66 105.19 113.27 3mbh n GLY 204 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 3mbh n GLY 204 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mbh n ASN 205 N 0.00 -6.14 -4.80 1.61 5.15 -0.01 -4.99 115.26 106.09 3mbh n ASN 205 Ca 0.00 -0.47 -0.36 0.00 -0.60 0.00 0.00 54.58 53.15 3mbh n ASN 205 Cb 0.00 -4.88 -0.07 0.00 -0.53 0.00 0.00 39.78 34.30 3mbh n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3mbh s ARG 206 N -6.12 3.24 -0.11 1.20 0.52 -1.02 -4.92 118.95 111.73 3mbh s ARG 206 Ca 0.49 -0.26 -0.01 0.00 -0.52 0.00 0.00 55.73 55.43 3mbh s ARG 206 Cb -0.22 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.21 3mbh s ARG 206 CO 0.61 0.74 -0.07 0.71 0.02 0.00 0.00 175.30 177.31 3mbh s TYR 207 N -0.99 2.94 0.14 -0.53 1.51 -1.26 -1.41 117.35 117.75 3mbh s TYR 207 Ca 0.15 -0.23 0.08 0.00 -1.01 0.00 0.00 57.07 56.07 3mbh s TYR 207 Cb -0.12 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 3mbh s TYR 207 CO 0.04 0.09 -0.20 -1.58 -1.11 0.00 0.00 175.55 172.79 3mbh s TRP 208 N -0.16 1.83 0.00 2.71 0.52 0.93 -0.65 118.94 124.12 3mbh s TRP 208 Ca 0.02 -0.44 -0.01 0.00 0.02 0.00 0.00 56.10 55.68 3mbh s TRP 208 Cb -0.13 -0.95 -0.01 0.00 -1.15 0.00 0.00 33.47 31.23 3mbh s TRP 208 CO 0.03 0.28 0.02 0.21 0.02 0.00 0.00 176.95 177.50 3mbh s LYS 209 N -2.36 0.18 -0.01 4.98 2.20 0.19 -1.08 119.74 123.85 3mbh s LYS 209 Ca 0.11 -0.24 -0.01 0.00 -0.36 0.00 0.00 55.97 55.48 3mbh s LYS 209 Cb -0.08 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 3mbh s LYS 209 CO 0.06 -0.03 0.02 0.54 -0.36 0.00 0.00 175.35 175.58 3mbh s VAL 210 N -0.66 -0.00 -0.11 4.02 0.11 0.13 -0.31 120.40 123.58 3mbh s VAL 210 Ca -0.07 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 3mbh s VAL 210 Cb -0.05 -0.04 -0.02 0.00 -1.53 0.00 0.00 36.38 34.75 3mbh s VAL 210 CO -0.00 0.00 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.75 3mbh s THR 211 N 0.07 3.03 -0.01 5.04 2.01 -1.26 -0.33 115.64 124.19 3mbh s THR 211 Ca -0.01 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.34 3mbh s THR 211 Cb -0.01 -2.25 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 3mbh s THR 211 CO -0.00 0.54 -0.12 0.00 -0.69 0.00 0.00 174.62 174.36 3mbh n PRO 213 N 2.80 4.49 -3.85 0.00 -0.04 -1.26 -1.06 135.00 136.09 3mbh n PRO 213 Ca -0.14 -3.68 -0.09 0.00 -0.04 0.00 0.00 63.50 59.55 3mbh n PRO 213 Cb 0.56 -2.67 -0.05 0.00 -0.04 0.00 0.00 33.50 31.30 3mbh n PRO 213 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3mbh s TYR 214 N -1.31 0.11 -0.49 0.54 -0.85 -1.20 -4.91 117.35 109.24 3mbh s TYR 214 Ca 0.48 -0.47 0.04 0.00 -0.52 0.00 0.00 57.07 56.60 3mbh s TYR 214 Cb 0.16 0.22 0.13 0.00 0.38 0.00 0.00 41.96 42.85 3mbh s TYR 214 CO -0.07 -0.87 0.23 -0.51 -1.52 0.00 0.00 175.55 172.82 3mbh s LEU 215 N -2.92 4.29 0.52 -3.49 1.43 -1.26 -2.84 118.68 114.41 3mbh s LEU 215 Ca 0.13 -2.88 0.17 0.00 -1.03 0.00 0.00 54.13 50.52 3mbh s LEU 215 Cb 0.00 -1.61 1.29 0.00 0.03 0.00 0.00 46.19 45.91 3mbh s LEU 215 CO -0.00 -0.25 2.14 1.55 0.23 0.00 0.00 176.35 180.02 3mbh h PRO 216 N 6.66 0.00 0.00 1.29 0.13 -1.96 -1.79 132.00 136.32 3mbh h PRO 216 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 3mbh h PRO 216 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 3mbh h PRO 216 CO 0.66 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.40 3mbh h ALA 217 N 1.98 1.07 0.00 -0.56 0.00 -1.99 -2.18 119.26 117.59 3mbh h ALA 217 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mbh h ALA 217 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3mbh h ALA 217 CO -0.00 0.04 0.00 0.72 0.00 0.00 0.00 179.25 180.01 3mbh n HIS 218 N -3.22 0.83 -3.83 0.00 8.25 -0.67 -4.40 115.22 112.18 3mbh n HIS 218 Ca -0.01 0.34 -0.30 0.00 -0.26 0.00 0.00 57.72 57.49 3mbh n HIS 218 Cb 0.20 -1.05 -0.14 0.00 1.12 0.00 0.00 29.99 30.12 3mbh n HIS 218 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3mbh s TYR 219 N -3.36 2.57 0.26 4.41 2.02 -0.82 -4.57 117.35 117.87 3mbh s TYR 219 Ca 0.03 -2.69 -0.29 0.00 -0.37 0.00 0.00 57.07 53.75 3mbh s TYR 219 Cb 0.09 -2.32 -0.14 0.00 -0.40 0.00 0.00 41.96 39.19 3mbh s TYR 219 CO 0.37 -0.79 1.02 -2.30 -1.57 0.00 0.00 175.55 172.28 3mbh n PRO 220 N 3.59 1.28 -0.46 -1.71 -0.02 -1.26 -2.13 135.00 134.28 3mbh n PRO 220 Ca 0.06 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3mbh n PRO 220 Cb 0.35 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3mbh n PRO 220 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mbh n GLY 221 N 1.41 0.95 0.35 -1.23 0.00 -1.26 -4.37 105.19 101.04 3mbh n GLY 221 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.23 3mbh n GLY 221 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3mbh h THR 222 N 0.00 0.95 -0.81 2.61 1.35 -1.68 -1.25 112.91 114.08 3mbh h THR 222 Ca 0.00 -0.18 -0.00 0.00 -0.55 0.00 0.00 66.41 65.68 3mbh h THR 222 Cb 0.00 0.38 -0.04 0.00 -1.73 0.00 0.00 68.15 66.76 3mbh h THR 222 CO 0.00 0.09 0.49 1.23 -0.25 0.00 0.00 175.52 177.09 3mbh h GLY 223 N 0.52 1.16 1.19 5.82 0.00 -1.90 0.35 103.07 110.21 3mbh h GLY 223 Ca 0.28 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 3mbh h GLY 223 CO -0.08 0.46 -0.27 -0.55 0.00 0.00 0.00 176.54 176.10 3mbh h ASP 224 N 1.11 0.95 -0.38 0.19 3.32 -1.63 -0.93 116.42 119.05 3mbh h ASP 224 Ca 0.29 -0.38 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 3mbh h ASP 224 Cb -0.06 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 3mbh h ASP 224 CO -0.06 1.15 0.18 0.74 -1.72 0.00 0.00 179.24 179.53 3mbh h THR 225 N 0.78 1.17 -0.15 0.35 2.02 -0.84 -1.01 112.91 115.24 3mbh h THR 225 Ca 0.09 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 66.80 3mbh h THR 225 Cb 0.83 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 3mbh h THR 225 CO 0.07 0.19 -0.03 0.15 0.37 0.00 0.00 175.52 176.27 3mbh h PHE 226 N 0.47 -0.06 0.02 3.16 3.57 -0.22 -2.02 116.94 121.87 3mbh h PHE 226 Ca 0.13 0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.44 3mbh h PHE 226 Cb 0.13 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3mbh h PHE 226 CO -0.01 -0.05 -0.93 1.15 -2.23 0.00 0.00 178.31 176.24 3mbh h THR 227 N 0.01 1.54 -0.48 4.41 2.02 -1.09 -1.74 112.91 117.58 3mbh h THR 227 Ca 0.07 -2.81 0.02 0.00 0.77 0.00 0.00 66.41 64.47 3mbh h THR 227 Cb 0.10 2.58 -0.03 0.00 -1.74 0.00 0.00 68.15 69.06 3mbh h THR 227 CO -0.14 0.81 0.29 0.28 0.37 0.00 0.00 175.52 177.13 3mbh h SER 228 N 0.08 0.46 -0.43 4.18 0.02 -1.03 0.44 113.55 117.27 3mbh h SER 228 Ca -0.05 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 3mbh h SER 228 Cb 1.59 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 3mbh h SER 228 CO 0.14 0.33 -0.04 0.58 -1.14 0.00 0.00 176.83 176.69 3mbh h VAL 229 N 0.57 1.27 -0.31 2.27 2.07 -1.06 -1.03 116.25 120.03 3mbh h VAL 229 Ca 0.19 -1.11 0.06 0.00 0.82 0.00 0.00 66.70 66.66 3mbh h VAL 229 Cb 0.02 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 3mbh h VAL 229 CO -0.09 0.38 -0.07 0.40 0.02 0.00 0.00 177.57 178.21 3mbh h ILE 230 N 0.62 0.69 -0.11 4.57 1.08 -1.18 0.48 117.51 123.67 3mbh h ILE 230 Ca 0.12 -0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.58 3mbh h ILE 230 Cb 0.56 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 3mbh h ILE 230 CO 0.03 0.00 0.06 0.74 -0.69 0.00 0.00 178.15 178.29 3mbh h THR 231 N 0.01 1.09 -0.44 -0.27 2.02 -0.70 -1.70 112.91 112.91 3mbh h THR 231 Ca 0.15 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 3mbh h THR 231 Cb 0.23 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3mbh h THR 231 CO -0.32 0.08 -0.09 1.23 0.37 0.00 0.00 175.52 176.80 3mbh h GLY 232 N 0.08 0.85 0.89 2.16 0.00 -1.02 -3.17 103.07 102.85 3mbh h GLY 232 Ca 0.04 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 3mbh h GLY 232 CO -0.01 0.57 -0.17 1.76 0.00 0.00 0.00 176.54 178.70 3mbh h SER 233 N 0.72 -0.42 0.00 0.19 0.02 -0.71 -0.45 113.55 112.89 3mbh h SER 233 Ca 0.13 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3mbh h SER 233 Cb 0.56 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3mbh h SER 233 CO 0.03 -0.27 0.00 0.18 -1.14 0.00 0.00 176.83 175.64 3mbh n LEU 234 N -5.29 0.09 0.00 5.07 4.77 -0.65 -1.51 117.00 119.48 3mbh n LEU 234 Ca -0.09 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3mbh n LEU 234 Cb 0.21 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3mbh n LEU 234 CO 0.33 0.02 0.00 0.00 -1.33 0.00 0.00 177.39 176.40 3mbh n GLN 236 N 1.01 0.00 -0.28 3.23 6.02 -0.18 -4.03 117.38 123.16 3mbh n GLN 236 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3mbh n GLN 236 Cb 0.02 -0.02 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3mbh n GLN 236 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mbh n GLY 237 N 0.02 0.81 3.75 1.08 0.00 -1.08 -5.07 105.19 104.71 3mbh n GLY 237 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3mbh n GLY 237 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mbh s ASP 238 N -2.23 5.03 0.81 1.61 1.01 -0.57 -5.03 116.67 117.30 3mbh s ASP 238 Ca 0.00 2.25 -0.11 0.00 0.71 0.00 0.00 52.55 55.39 3mbh s ASP 238 Cb 0.00 -2.58 0.08 0.00 1.01 0.00 0.00 42.92 41.43 3mbh s ASP 238 CO 0.00 -1.69 1.10 -0.94 0.21 0.00 0.00 175.17 173.84 3mbh s SER 239 N -1.98 4.37 0.15 0.27 1.04 -1.26 -4.41 113.70 111.88 3mbh s SER 239 Ca 0.73 1.32 -0.17 0.00 0.48 0.00 0.00 55.95 58.31 3mbh s SER 239 Cb -0.26 -2.05 0.05 0.00 0.10 0.00 0.00 66.02 63.86 3mbh s SER 239 CO 0.37 -2.05 1.71 0.25 0.98 0.00 0.00 173.24 174.50 3mbh h LEU 240 N -1.14 -0.10 -2.71 2.42 5.85 -1.99 -0.36 115.31 117.28 3mbh h LEU 240 Ca -0.47 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3mbh h LEU 240 Cb 1.27 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.42 3mbh h LEU 240 CO 0.59 -0.01 0.00 -0.81 -0.34 0.00 0.00 178.44 177.86 3mbh n PRO 241 N -5.15 0.17 0.00 5.25 -0.04 -1.26 -1.17 135.00 132.80 3mbh n PRO 241 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3mbh n PRO 241 Cb 0.16 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 3mbh n PRO 241 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mbh n ALA 243 N 1.30 0.00 -0.23 0.55 0.00 -0.15 -1.77 120.51 120.21 3mbh n ALA 243 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3mbh n ALA 243 Cb 0.09 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.64 3mbh n ALA 243 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3mbh h LEU 244 N 0.00 0.54 -0.22 0.00 3.38 -1.42 -0.14 115.31 117.45 3mbh h LEU 244 Ca 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3mbh h LEU 244 Cb 0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3mbh h LEU 244 CO 0.00 0.35 0.06 0.44 0.09 0.00 0.00 178.44 179.38 3mbh h ASP 245 N 0.68 0.33 -0.24 -0.43 3.32 -1.61 -1.59 116.42 116.88 3mbh h ASP 245 Ca 0.30 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3mbh h ASP 245 Cb 0.20 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3mbh h ASP 245 CO -0.19 0.45 0.04 0.03 -1.72 0.00 0.00 179.24 177.85 3mbh h ARG 246 N 0.19 0.40 -0.00 3.56 3.08 -1.76 -1.31 114.38 118.54 3mbh h ARG 246 Ca 0.07 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3mbh h ARG 246 Cb 0.25 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3mbh h ARG 246 CO -0.00 0.53 0.00 0.00 -1.07 0.00 0.00 179.97 179.43 3mbh h ALA 247 N 0.85 0.01 -0.57 0.04 0.00 -1.03 -1.12 119.26 117.44 3mbh h ALA 247 Ca 0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3mbh h ALA 247 Cb 0.33 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3mbh h ALA 247 CO 0.00 -0.46 0.14 1.79 0.00 0.00 0.00 179.25 180.72 3mbh h THR 248 N -0.07 1.25 -0.54 0.00 1.35 -1.28 -1.89 112.91 111.73 3mbh h THR 248 Ca 0.00 -0.89 -0.08 0.00 -0.55 0.00 0.00 66.41 64.89 3mbh h THR 248 Cb 0.07 0.73 -0.02 0.00 -1.73 0.00 0.00 68.15 67.20 3mbh h THR 248 CO -0.00 0.33 0.03 1.56 -0.25 0.00 0.00 175.52 177.19 3mbh h GLN 249 N 0.82 0.90 0.01 4.72 1.08 -1.20 -0.87 115.11 120.57 3mbh h GLN 249 Ca 0.18 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3mbh h GLN 249 Cb 0.35 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3mbh h GLN 249 CO 0.00 0.88 -0.01 0.35 -0.95 0.00 0.00 178.83 179.11 3mbh h PHE 250 N 0.84 -0.02 -0.66 2.96 3.57 -1.07 -1.57 116.94 120.99 3mbh h PHE 250 Ca 0.16 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3mbh h PHE 250 Cb 0.46 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 3mbh h PHE 250 CO 0.03 0.02 0.29 0.82 -2.23 0.00 0.00 178.31 177.23 3mbh h ILE 251 N -0.05 1.23 -0.23 1.41 2.04 -1.15 -0.39 117.51 120.37 3mbh h ILE 251 Ca -0.00 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 65.21 3mbh h ILE 251 Cb 0.04 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 3mbh h ILE 251 CO 0.00 0.28 -0.13 0.25 0.00 0.00 0.00 178.15 178.56 3mbh h LEU 252 N 0.93 -0.43 -0.43 1.44 5.85 -1.08 0.43 115.31 122.02 3mbh h LEU 252 Ca 0.22 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.04 3mbh h LEU 252 Cb 0.17 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3mbh h LEU 252 CO -0.02 -0.17 0.27 1.56 -0.34 0.00 0.00 178.44 179.75 3mbh h GLN 253 N -0.11 0.58 -0.35 1.25 4.20 -0.89 0.12 115.11 119.91 3mbh h GLN 253 Ca 0.13 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3mbh h GLN 253 Cb 0.30 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3mbh h GLN 253 CO -0.30 0.41 0.18 0.78 -0.67 0.00 0.00 178.83 179.22 3mbh h GLY 254 N 0.58 0.51 0.69 3.46 0.00 -0.59 -1.14 103.07 106.58 3mbh h GLY 254 Ca 0.16 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 3mbh h GLY 254 CO -0.03 0.21 -0.56 -2.22 0.00 0.00 0.00 176.54 173.93 3mbh h ILE 255 N 0.49 1.47 0.00 2.60 2.04 -0.46 -1.90 117.51 121.75 3mbh h ILE 255 Ca 0.13 -2.15 -0.03 0.00 1.00 0.00 0.00 64.86 63.81 3mbh h ILE 255 Cb 0.04 2.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.87 3mbh h ILE 255 CO -0.02 0.61 -0.15 0.03 0.00 0.00 0.00 178.15 178.62 3mbh h ARG 256 N -0.25 0.00 0.00 2.37 3.08 -0.54 -0.51 114.38 118.54 3mbh h ARG 256 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3mbh h ARG 256 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3mbh h ARG 256 CO 0.11 0.15 0.00 0.00 -1.07 0.00 0.00 179.97 179.16 3mbh h ALA 257 N 1.85 1.00 -0.00 0.04 0.00 -1.31 -2.12 119.26 118.71 3mbh h ALA 257 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mbh h ALA 257 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3mbh h ALA 257 CO 0.02 0.00 -0.25 0.25 0.00 0.00 0.00 179.25 179.27 3mbh n THR 258 N -3.04 0.00 -3.01 0.00 -2.24 -0.20 -4.93 114.28 100.86 3mbh n THR 258 Ca -0.02 -0.04 -0.35 0.00 -2.27 0.00 0.00 64.05 61.37 3mbh n THR 258 Cb 0.13 0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.32 3mbh n THR 258 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3mbh s PHE 259 N -2.76 3.56 0.00 4.78 0.08 -0.80 -4.32 117.98 118.52 3mbh s PHE 259 Ca 0.19 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.70 3mbh s PHE 259 Cb 0.19 -2.69 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 3mbh s PHE 259 CO 0.57 0.21 0.00 0.41 -0.10 0.00 0.00 175.22 176.31 3mbh n GLY 260 N 0.30 1.70 3.33 4.36 0.00 -1.26 -5.07 105.19 108.55 3mbh n GLY 260 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3mbh n GLY 260 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mbh s TYR 261 N -2.14 0.76 0.00 1.61 1.51 -1.26 -5.11 117.35 112.73 3mbh s TYR 261 Ca 0.00 -1.07 -0.35 0.00 -1.01 0.00 0.00 57.07 54.65 3mbh s TYR 261 Cb 0.00 -0.25 -0.13 0.00 -0.11 0.00 0.00 41.96 41.47 3mbh s TYR 261 CO 0.00 -0.74 1.73 -0.85 -1.11 0.00 0.00 175.55 174.59 3mbh n GLU 262 N -0.27 2.05 -4.02 -0.62 -0.00 -1.26 -4.98 120.64 111.54 3mbh n GLU 262 Ca -0.02 0.75 -0.15 0.00 -0.00 0.00 0.00 57.16 57.74 3mbh n GLU 262 Cb 0.64 -2.55 -0.15 0.00 -0.00 0.00 0.00 31.44 29.39 3mbh n GLU 262 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 3mbh s TYR 263 N 2.69 0.30 -0.71 -1.84 5.04 -1.26 -5.09 117.35 116.48 3mbh s TYR 263 Ca 0.87 -0.05 -0.20 0.00 -2.44 0.00 0.00 57.07 55.26 3mbh s TYR 263 Cb -0.72 -0.23 0.10 0.00 0.35 0.00 0.00 41.96 41.46 3mbh s TYR 263 CO 0.47 -0.03 0.90 0.34 -1.34 0.00 0.00 175.55 175.89 3mbh s ASP 264 N 0.15 6.31 0.63 4.32 -1.08 -1.26 -4.88 116.67 120.87 3mbh s ASP 264 Ca -0.01 -1.48 0.36 0.00 -0.52 0.00 0.00 52.55 50.90 3mbh s ASP 264 Cb -0.04 -2.36 2.05 0.00 -1.46 0.00 0.00 42.92 41.11 3mbh s ASP 264 CO -0.00 -1.19 2.25 0.78 0.52 0.00 0.00 175.17 177.52 3mbh h ASN 265 N 9.17 0.00 -0.01 -0.34 2.35 -1.90 -0.83 115.58 124.02 3mbh h ASN 265 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 3mbh h ASN 265 Cb 1.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.43 3mbh h ASN 265 CO 1.11 0.00 0.02 0.03 -1.65 0.00 0.00 177.43 176.94 3mbh h ARG 266 N 0.00 0.00 0.00 0.81 3.08 -1.90 -1.49 114.38 114.88 3mbh h ARG 266 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3mbh h ARG 266 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3mbh h ARG 266 CO -0.00 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.29 3mbh n GLU 267 N -3.47 0.14 0.00 0.04 1.02 -0.32 -4.62 120.64 113.44 3mbh n GLU 267 Ca -0.03 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3mbh n GLU 267 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3mbh n GLU 267 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mbh n GLY 268 N 0.63 -2.09 3.78 0.62 0.00 -0.56 -3.43 105.19 104.15 3mbh n GLY 268 Ca 0.08 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 3mbh n GLY 268 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mbh s ILE 269 N -0.14 3.48 -1.33 -0.61 -4.36 -1.26 -4.89 121.20 112.09 3mbh s ILE 269 Ca 0.00 0.48 -0.12 0.00 -0.26 0.00 0.00 60.65 60.75 3mbh s ILE 269 Cb 0.00 -3.07 0.12 0.00 1.25 0.00 0.00 42.46 40.76 3mbh s ILE 269 CO 0.00 -0.63 1.92 0.18 0.24 0.00 0.00 174.94 176.65 3mbh n LEU 270 N -3.42 6.38 -0.16 0.37 4.77 -0.71 -4.82 117.00 119.41 3mbh n LEU 270 Ca 0.08 -4.40 -0.05 0.00 -0.03 0.00 0.00 56.01 51.61 3mbh n LEU 270 Cb 0.54 -1.58 0.02 0.00 -2.33 0.00 0.00 43.42 40.07 3mbh n LEU 270 CO 0.55 1.10 0.68 0.25 -1.33 0.00 0.00 177.39 178.64 3mbh h LEU 271 N 9.18 -0.86 -1.43 2.23 5.85 -1.90 -2.55 115.31 125.83 3mbh h LEU 271 Ca 0.44 0.19 -0.06 0.00 0.84 0.00 0.00 57.88 59.30 3mbh h LEU 271 Cb 0.68 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3mbh h LEU 271 CO 1.64 -0.27 -0.27 -0.33 -0.34 0.00 0.00 178.44 178.88 3mbh h GLU 272 N -0.14 0.00 0.00 1.25 3.07 -2.00 0.44 114.58 117.19 3mbh h GLU 272 Ca 0.22 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.02 3mbh h GLU 272 Cb 0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 3mbh h GLU 272 CO -0.58 0.27 -0.29 -0.22 -1.40 0.00 0.00 179.01 176.79 3mbh h LYS 273 N 0.00 0.00 -0.01 2.33 1.63 -1.87 -3.31 116.57 115.34 3mbh h LYS 273 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3mbh h LYS 273 Cb 0.58 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 3mbh h LYS 273 CO 0.04 0.29 -0.01 1.33 -3.45 0.00 0.00 179.45 177.64 3mbh n VAL 274 N -3.61 0.00 -0.26 2.00 0.24 -0.54 -4.67 118.33 111.49 3mbh n VAL 274 Ca -0.01 -0.49 0.14 0.00 -2.04 0.00 0.00 64.34 61.94 3mbh n VAL 274 Cb 0.42 1.11 0.42 0.00 -1.47 0.00 0.00 33.84 34.32 3mbh n VAL 274 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3mbh h LEU 275 N 1.02 0.58 0.00 1.34 5.85 -1.05 0.23 115.31 123.27 3mbh h LEU 275 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3mbh h LEU 275 Cb 0.22 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3mbh h LEU 275 CO 0.00 0.27 0.00 1.41 -0.34 0.00 0.00 178.44 179.78 3mbh n HIS 276 N -4.56 0.00 0.55 1.25 8.25 -1.26 -2.82 115.22 116.62 3mbh n HIS 276 Ca 0.18 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.76 3mbh n HIS 276 Cb 0.55 -0.30 0.45 0.00 1.12 0.00 0.00 29.99 31.82 3mbh n HIS 276 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3mbh n ASN 277 N -1.30 0.60 0.22 0.41 3.02 0.80 -3.87 115.26 115.14 3mbh n ASN 277 Ca 0.10 0.60 0.11 0.00 -0.03 0.00 0.00 54.58 55.36 3mbh n ASN 277 Cb 0.18 -0.75 0.68 0.00 -0.61 0.00 0.00 39.78 39.28 3mbh n ASN 277 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3mbh h LEU 278 N 0.00 0.00 -7.21 3.41 3.38 -1.68 -3.45 115.31 109.76 3mbh h LEU 278 Ca 0.00 0.00 -0.80 0.00 0.09 0.00 0.00 57.88 57.17 3mbh h LEU 278 Cb 0.51 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.99 3mbh h LEU 278 CO 0.00 0.00 0.79 -0.90 0.09 0.00 0.00 178.44 178.42 3mbh n ASP 279 N -4.43 5.87 -4.76 -0.43 5.68 -1.25 -5.04 116.55 112.18 3mbh n ASP 279 Ca -0.01 -3.20 -0.37 0.00 -0.50 0.00 0.00 54.79 50.71 3mbh n ASP 279 Cb 0.18 -1.35 -0.07 0.00 -1.14 0.00 0.00 41.12 38.74 3mbh n ASP 279 CO 0.00 0.00 0.00 -2.84 -1.33 0.00 0.00 177.20 173.03 3mbh s PRO 281 N -1.62 4.11 0.15 0.11 0.02 -1.26 -5.23 135.00 131.28 3mbh s PRO 281 Ca 0.33 0.14 0.08 0.00 0.02 0.00 0.00 61.00 61.56 3mbh s PRO 281 Cb -0.02 -3.36 -0.04 0.00 0.02 0.00 0.00 34.50 31.10 3mbh s PRO 281 CO 0.01 0.37 -0.07 -1.50 -0.33 0.00 0.00 177.00 175.49 3mbh s ILE 282 N 0.04 3.42 0.00 2.83 1.10 -1.26 -5.19 121.20 122.14 3mbh s ILE 282 Ca 0.18 -1.44 0.00 0.00 -0.51 0.00 0.00 60.65 58.87 3mbh s ILE 282 Cb -0.14 -2.67 0.00 0.00 0.15 0.00 0.00 42.46 39.80 3mbh s ILE 282 CO 0.06 -0.03 0.00 0.00 -2.11 0.00 0.00 174.94 172.86 3mbh n GLN 283 N 0.23 0.00 0.00 3.50 10.64 -1.26 -5.07 117.38 125.42 3mbh n GLN 283 Ca -0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 3mbh n GLN 283 Cb 0.54 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.92 3mbh n GLN 283 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3mbh n ALA 285 N -3.00 0.00 -1.78 2.61 0.00 -1.26 -4.84 120.51 112.24 3mbh n ALA 285 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3mbh n ALA 285 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3mbh n ALA 285 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mbh s SER 286 N -1.05 6.26 0.06 0.00 1.04 -1.26 -4.76 113.70 113.99 3mbh s SER 286 Ca 0.00 2.16 -0.01 0.00 0.48 0.00 0.00 55.95 58.58 3mbh s SER 286 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 3mbh s SER 286 CO 0.00 -0.85 -0.02 -0.72 0.98 0.00 0.00 173.24 172.64 3mbh s TYR 287 N -1.68 0.58 0.20 5.02 1.13 0.58 -4.95 117.35 118.23 3mbh s TYR 287 Ca 0.64 -1.10 -0.30 0.00 -1.41 0.00 0.00 57.07 54.91 3mbh s TYR 287 Cb -0.24 -0.41 -0.08 0.00 -1.10 0.00 0.00 41.96 40.13 3mbh s TYR 287 CO 0.29 -0.40 0.98 -1.21 -2.51 0.00 0.00 175.55 172.71 3mbh s GLU 288 N -3.94 4.76 -0.24 -3.49 2.02 -1.26 -0.64 118.70 115.91 3mbh s GLU 288 Ca 0.10 1.54 -0.19 0.00 0.02 0.00 0.00 54.97 56.44 3mbh s GLU 288 Cb 0.08 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.99 3mbh s GLU 288 CO -0.08 0.34 0.56 -0.51 0.02 0.00 0.00 175.26 175.59 3mbh s LEU 289 N -0.76 4.08 0.00 1.80 1.43 0.17 -4.87 118.68 120.54 3mbh s LEU 289 Ca 0.44 0.63 0.17 0.00 -1.03 0.00 0.00 54.13 54.35 3mbh s LEU 289 Cb -0.26 -2.75 0.14 0.00 0.03 0.00 0.00 46.19 43.34 3mbh s LEU 289 CO 0.33 -0.30 1.04 -0.38 0.23 0.00 0.00 176.35 177.27