#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 -1.57 -0.41 2.98 0.00 -1.26 -5.11 121.76 116.40 3mbh s ALA 3 Ca 0.00 0.93 0.04 0.00 0.00 0.00 0.00 51.96 52.93 3mbh s ALA 3 Cb 0.00 0.26 0.17 0.00 0.00 0.00 0.00 23.12 23.54 3mbh s ALA 3 CO 0.00 -0.47 0.34 1.21 0.00 0.00 0.00 175.76 176.84 3mbh s ASN 4 N -1.67 1.49 0.96 0.00 2.47 -1.26 -5.16 114.94 111.77 3mbh s ASN 4 Ca -0.08 -2.88 -0.14 0.00 0.42 0.00 0.00 52.86 50.19 3mbh s ASN 4 Cb -0.01 -0.32 0.21 0.00 -1.45 0.00 0.00 41.25 39.68 3mbh s ASN 4 CO 0.03 -0.19 1.29 2.29 -3.72 0.00 0.00 177.10 176.81 3mbh n LYS 5 N 3.03 -1.11 -2.83 0.43 0.00 -1.26 -5.03 118.16 111.39 3mbh n LYS 5 Ca 0.27 -2.21 -0.43 0.00 -0.00 0.00 0.00 58.31 55.94 3mbh n LYS 5 Cb 0.47 -1.27 -0.04 0.00 -0.00 0.00 0.00 35.03 34.19 3mbh n LYS 5 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3mbh s VAL 6 N -3.82 4.59 0.48 0.58 1.01 -1.26 -5.03 120.40 116.96 3mbh s VAL 6 Ca 0.75 1.11 -0.22 0.00 0.00 0.00 0.00 61.98 63.62 3mbh s VAL 6 Cb -0.02 -4.33 -0.07 0.00 0.00 0.00 0.00 36.38 31.96 3mbh s VAL 6 CO 0.52 -0.55 1.17 -0.54 0.00 0.00 0.00 175.10 175.70 3mbh s LYS 7 N 3.45 3.63 -0.09 2.72 1.02 -1.26 -4.76 119.74 124.46 3mbh s LYS 7 Ca 0.37 1.77 0.01 0.00 0.02 0.00 0.00 55.97 58.14 3mbh s LYS 7 Cb -0.12 -2.31 -0.02 0.00 -0.52 0.00 0.00 37.83 34.86 3mbh s LYS 7 CO 0.19 -0.65 -0.12 0.15 -0.92 0.00 0.00 175.35 173.99 3mbh s LYS 8 N -2.83 2.93 -0.13 1.68 1.02 -1.26 -1.10 119.74 120.05 3mbh s LYS 8 Ca 0.66 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 56.01 3mbh s LYS 8 Cb -0.28 -2.53 0.01 0.00 -0.52 0.00 0.00 37.83 34.51 3mbh s LYS 8 CO 0.34 0.46 -0.18 0.42 -0.92 0.00 0.00 175.35 175.46 3mbh s ILE 9 N -0.28 1.78 -0.23 2.17 1.01 0.17 -0.62 121.20 125.21 3mbh s ILE 9 Ca 0.02 -0.80 -0.27 0.00 0.00 0.00 0.00 60.65 59.60 3mbh s ILE 9 Cb -0.13 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.74 3mbh s ILE 9 CO 0.03 0.50 0.93 0.00 0.00 0.00 0.00 174.94 176.39 3mbh s ALA 10 N 0.99 3.65 -0.36 9.38 0.00 -0.07 -0.95 121.76 134.39 3mbh s ALA 10 Ca -0.05 0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.87 3mbh s ALA 10 Cb -0.15 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.63 3mbh s ALA 10 CO -0.03 -0.95 0.15 0.00 0.00 0.00 0.00 175.76 174.93 3mbh s ALA 11 N 2.92 3.12 -0.94 0.00 0.00 -0.62 -0.41 121.76 125.82 3mbh s ALA 11 Ca 0.39 -1.90 -0.11 0.00 0.00 0.00 0.00 51.96 50.34 3mbh s ALA 11 Cb -0.15 -2.38 0.24 0.00 0.00 0.00 0.00 23.12 20.83 3mbh s ALA 11 CO 0.07 -1.45 0.90 0.08 0.00 0.00 0.00 175.76 175.37 3mbh s VAL 12 N 1.39 5.68 0.16 0.00 1.01 0.95 -0.98 120.40 128.62 3mbh s VAL 12 Ca 0.00 -2.94 -0.07 0.00 0.00 0.00 0.00 61.98 58.98 3mbh s VAL 12 Cb -0.21 -4.47 -0.02 0.00 0.00 0.00 0.00 36.38 31.69 3mbh s VAL 12 CO 0.02 -1.09 0.23 -1.00 0.00 0.00 0.00 175.10 173.26 3mbh s HIS 13 N -0.50 0.56 0.76 5.22 3.76 -1.23 -1.42 115.29 122.45 3mbh s HIS 13 Ca 0.24 -0.91 -0.12 0.00 -0.15 0.00 0.00 55.06 54.11 3mbh s HIS 13 Cb -0.10 -0.18 0.05 0.00 1.11 0.00 0.00 32.58 33.46 3mbh s HIS 13 CO -0.09 -0.69 1.14 0.16 -0.85 0.00 0.00 174.74 174.42 3mbh s ASP 14 N -3.00 4.95 -0.27 1.40 -4.77 -1.23 -1.65 116.67 112.10 3mbh s ASP 14 Ca 0.21 0.96 -0.04 0.00 -3.30 0.00 0.00 52.55 50.38 3mbh s ASP 14 Cb 0.04 -1.60 0.02 0.00 -1.09 0.00 0.00 42.92 40.30 3mbh s ASP 14 CO 0.02 -1.64 -0.01 -0.22 0.70 0.00 0.00 175.17 174.02 3mbh s LEU 15 N -5.48 3.46 -0.08 2.11 2.96 -0.30 -2.03 118.68 119.31 3mbh s LEU 15 Ca 0.60 -0.83 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 3mbh s LEU 15 Cb -0.11 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 3mbh s LEU 15 CO 0.50 -0.16 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.78 3mbh s SER 16 N 1.39 3.85 0.00 3.68 0.01 -1.26 -0.88 113.70 120.49 3mbh s SER 16 Ca 0.01 -0.31 0.11 0.00 1.31 0.00 0.00 55.95 57.07 3mbh s SER 16 Cb -0.17 -1.17 0.56 0.00 0.21 0.00 0.00 66.02 65.45 3mbh s SER 16 CO -0.02 0.25 1.20 0.61 0.41 0.00 0.00 173.24 175.70 3mbh n GLY 17 N 2.93 -0.57 0.81 3.44 0.00 -0.40 -4.77 105.19 106.62 3mbh n GLY 17 Ca -0.18 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.37 -1.03 3.04 -0.02 0.00 -1.26 -4.94 105.19 100.62 3mbh n GLY 19 Ca 0.06 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.53 2.64 0.16 1.61 0.52 -1.22 -4.93 118.95 113.21 3mbh s ARG 20 Ca 0.00 -2.89 0.02 0.00 -0.52 0.00 0.00 55.73 52.34 3mbh s ARG 20 Cb 0.00 -3.67 -0.05 0.00 0.52 0.00 0.00 34.95 31.75 3mbh s ARG 20 CO 0.00 -1.21 -0.02 0.14 0.02 0.00 0.00 175.30 174.24 3mbh s VAL 21 N -0.68 0.75 0.00 3.52 -7.23 -1.26 -4.17 120.40 111.32 3mbh s VAL 21 Ca 0.21 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 3mbh s VAL 21 Cb -0.15 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.75 3mbh s VAL 21 CO -0.07 -0.55 0.00 -1.54 -0.31 0.00 0.00 175.10 172.63 3mbh n SER 22 N -0.22 0.00 0.14 4.85 3.41 -1.26 -2.35 113.62 118.19 3mbh n SER 22 Ca -0.08 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.57 3mbh n SER 22 Cb 0.63 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 65.00 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 0.18 0.00 1.04 3.38 -1.72 0.11 115.31 118.30 3mbh h LEU 23 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3mbh h LEU 23 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3mbh h LEU 23 CO 0.00 0.32 0.00 0.35 0.09 0.00 0.00 178.44 179.20 3mbh n THR 24 N -4.31 0.00 -0.03 0.22 -2.24 -0.99 -1.24 114.28 105.69 3mbh n THR 24 Ca -0.01 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.70 3mbh n THR 24 Cb 0.24 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.83 0.38 -0.25 2.28 0.31 -0.43 -4.60 118.33 115.19 3mbh n VAL 25 Ca 0.11 -0.10 -0.01 0.00 -0.01 0.00 0.00 64.34 64.33 3mbh n VAL 25 Cb 0.05 -1.49 0.10 0.00 -0.91 0.00 0.00 33.84 31.59 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 -0.22 1.02 0.31 2.52 2.07 -0.72 -2.25 116.25 118.98 3mbh h VAL 26 Ca -0.17 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3mbh h VAL 26 Cb 1.16 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3mbh h VAL 26 CO -0.10 0.15 -0.15 0.40 0.02 0.00 0.00 177.57 177.89 3mbh h ILE 27 N 0.80 0.72 -0.30 4.57 2.04 -1.41 -1.06 117.51 122.86 3mbh h ILE 27 Ca 0.31 -0.35 -0.13 0.00 1.00 0.00 0.00 64.86 65.70 3mbh h ILE 27 Cb 0.14 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3mbh h ILE 27 CO -0.16 0.07 -0.33 1.55 0.00 0.00 0.00 178.15 179.28 3mbh h PRO 28 N -0.61 0.66 0.35 2.37 0.13 -1.76 -1.41 132.00 131.73 3mbh h PRO 28 Ca -0.04 -0.30 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 3mbh h PRO 28 Cb 0.44 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.56 3mbh h PRO 28 CO 0.07 0.90 -0.17 0.82 -0.23 0.00 0.00 178.00 179.39 3mbh h ILE 29 N 0.55 0.66 -0.28 -3.56 2.04 -1.38 -2.02 117.51 113.52 3mbh h ILE 29 Ca 0.06 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 3mbh h ILE 29 Cb 0.84 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3mbh h ILE 29 CO 0.07 0.06 -0.29 -0.07 0.00 0.00 0.00 178.15 177.93 3mbh h LEU 30 N -0.66 0.59 -0.56 1.44 3.38 -1.22 -2.56 115.31 115.73 3mbh h LEU 30 Ca -0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3mbh h LEU 30 Cb 0.47 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3mbh h LEU 30 CO 0.08 0.86 0.33 0.28 0.09 0.00 0.00 178.44 180.08 3mbh h SER 31 N 0.50 0.67 0.00 -0.43 0.02 -1.22 -1.53 113.55 111.56 3mbh h SER 31 Ca 0.06 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mbh h SER 31 Cb 0.76 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3mbh h SER 31 CO 0.06 0.53 0.00 -1.20 -1.14 0.00 0.00 176.83 175.08 3mbh n SER 32 N -4.65 0.85 -0.31 3.07 7.64 -0.76 -3.88 113.62 115.58 3mbh n SER 32 Ca 0.03 -1.17 0.02 0.00 1.01 0.00 0.00 58.87 58.76 3mbh n SER 32 Cb 0.06 -0.18 0.03 0.00 -1.01 0.00 0.00 64.21 63.10 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 1.85 0.95 3.34 0.23 0.00 -0.92 -5.04 105.19 105.59 3mbh n GLY 34 Ca 0.00 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.62 2.41 -0.08 1.61 0.08 -0.62 -4.46 117.98 116.30 3mbh s PHE 35 Ca 0.06 -0.40 -0.29 0.00 0.12 0.00 0.00 56.93 56.42 3mbh s PHE 35 Cb 0.06 -1.53 -0.02 0.00 -0.57 0.00 0.00 43.02 40.96 3mbh s PHE 35 CO 0.01 -0.01 0.98 -1.14 -0.10 0.00 0.00 175.22 174.96 3mbh s GLN 36 N -0.61 4.45 -0.21 0.44 0.74 -0.26 -3.22 119.66 121.00 3mbh s GLN 36 Ca 0.10 1.36 -0.08 0.00 0.05 0.00 0.00 55.36 56.79 3mbh s GLN 36 Cb -0.10 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 3mbh s GLN 36 CO -0.00 -0.24 0.09 0.08 -0.55 0.00 0.00 175.29 174.66 3mbh s VAL 37 N 1.75 4.90 -0.35 1.34 1.01 -1.26 -0.65 120.40 127.13 3mbh s VAL 37 Ca 0.48 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.49 3mbh s VAL 37 Cb -0.19 -3.24 0.09 0.00 0.00 0.00 0.00 36.38 33.05 3mbh s VAL 37 CO 0.20 0.41 0.07 0.00 0.00 0.00 0.00 175.10 175.79 3mbh s PRO 39 N 1.04 4.70 -0.67 0.00 0.04 -1.26 -1.59 135.00 137.27 3mbh s PRO 39 Ca 0.06 1.67 0.02 0.00 0.04 0.00 0.00 61.00 62.79 3mbh s PRO 39 Cb -0.20 -3.19 0.16 0.00 0.04 0.00 0.00 34.50 31.31 3mbh s PRO 39 CO -0.06 0.31 0.46 -1.17 0.04 0.00 0.00 177.00 176.59 3mbh s LEU 40 N -1.40 4.89 0.38 -3.56 2.96 -0.16 -4.87 118.68 116.92 3mbh s LEU 40 Ca 0.44 -3.38 -0.26 0.00 -0.22 0.00 0.00 54.13 50.71 3mbh s LEU 40 Cb -0.29 -1.73 -0.09 0.00 0.50 0.00 0.00 46.19 44.58 3mbh s LEU 40 CO 0.37 -0.20 1.22 -2.16 -1.32 0.00 0.00 176.35 174.25 3mbh s PRO 41 N -0.81 4.15 -0.06 0.98 0.04 -1.26 -3.51 135.00 134.54 3mbh s PRO 41 Ca 0.21 1.98 0.20 0.00 0.04 0.00 0.00 61.00 63.43 3mbh s PRO 41 Cb -0.15 -2.82 -0.26 0.00 0.04 0.00 0.00 34.50 31.31 3mbh s PRO 41 CO -0.08 -0.28 0.42 0.25 0.04 0.00 0.00 177.00 177.35 3mbh n THR 42 N 0.34 0.67 -3.52 1.26 -2.24 -0.66 -4.81 114.28 105.33 3mbh n THR 42 Ca 0.03 -0.65 -0.08 0.00 -2.27 0.00 0.00 64.05 61.08 3mbh n THR 42 Cb 0.45 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 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 -3.08 -1.87 -0.11 6.98 0.00 -1.26 -1.59 121.76 120.83 3mbh s ALA 43 Ca -0.08 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.05 3mbh s ALA 43 Cb 0.10 0.28 -0.00 0.00 0.00 0.00 0.00 23.12 23.50 3mbh s ALA 43 CO 0.86 -0.65 -0.21 0.08 0.00 0.00 0.00 175.76 175.84 3mbh s VAL 44 N -2.91 2.32 0.09 0.00 1.01 -0.04 -1.15 120.40 119.72 3mbh s VAL 44 Ca 0.05 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.17 3mbh s VAL 44 Cb -0.01 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 3mbh s VAL 44 CO -0.08 0.55 -0.14 -0.76 0.00 0.00 0.00 175.10 174.67 3mbh s LEU 45 N 0.43 2.34 0.47 3.92 1.02 -0.06 -1.17 118.68 125.62 3mbh s LEU 45 Ca -0.15 -0.71 0.16 0.00 0.02 0.00 0.00 54.13 53.45 3mbh s LEU 45 Cb -0.17 -0.51 1.10 0.00 0.02 0.00 0.00 46.19 46.63 3mbh s LEU 45 CO 0.06 -0.12 2.02 0.77 0.02 0.00 0.00 176.35 179.11 3mbh h SER 46 N 3.92 0.00 -4.89 2.29 4.64 -1.85 -1.07 113.55 116.59 3mbh h SER 46 Ca -0.40 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.16 3mbh h SER 46 Cb 1.19 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.13 3mbh h SER 46 CO 0.45 0.15 0.72 0.54 -0.87 0.00 0.00 176.83 177.83 3mbh s ASN 47 N -6.89 -0.16 0.91 4.97 4.22 -1.26 -2.93 114.94 113.80 3mbh s ASN 47 Ca -0.04 -0.09 -0.11 0.00 -2.14 0.00 0.00 52.86 50.48 3mbh s ASN 47 Cb 0.16 0.23 0.14 0.00 1.28 0.00 0.00 41.25 43.06 3mbh s ASN 47 CO 0.68 -0.40 1.10 -1.38 -2.04 0.00 0.00 177.10 175.06 3mbh s HIS 48 N -2.65 1.99 -2.06 1.54 -3.43 -1.26 -4.83 115.29 104.59 3mbh s HIS 48 Ca 0.10 1.51 0.12 0.00 -0.80 0.00 0.00 55.06 55.99 3mbh s HIS 48 Cb 0.01 -3.19 0.43 0.00 -1.43 0.00 0.00 32.58 28.40 3mbh s HIS 48 CO -0.04 -2.61 1.32 0.25 -2.00 0.00 0.00 174.74 171.65 3mbh n THR 49 N -4.07 0.26 0.92 -5.38 -2.24 -1.26 -3.06 114.28 99.44 3mbh n THR 49 Ca 0.09 -0.29 0.12 0.00 -2.27 0.00 0.00 64.05 61.70 3mbh n THR 49 Cb 0.53 0.15 0.18 0.00 -2.10 0.00 0.00 70.33 69.10 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 0.11 2.28 -1.71 -0.78 6.02 -1.26 -4.61 117.38 117.43 3mbh n GLN 50 Ca 0.10 -1.88 -0.30 0.00 -0.01 0.00 0.00 57.00 54.92 3mbh n GLN 50 Cb 0.21 -1.47 0.09 0.00 1.02 0.00 0.00 30.24 30.09 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 -1.89 2.93 0.44 1.08 2.02 -1.17 -4.98 117.35 115.77 3mbh s TYR 51 Ca 0.31 0.98 0.12 0.00 -0.37 0.00 0.00 57.07 58.11 3mbh s TYR 51 Cb 0.21 -3.24 0.97 0.00 -0.40 0.00 0.00 41.96 39.50 3mbh s TYR 51 CO 0.31 -1.73 2.02 -1.35 -1.57 0.00 0.00 175.55 173.22 3mbh h PRO 52 N -1.05 0.19 -4.16 -1.71 0.11 -1.90 -3.45 132.00 120.03 3mbh h PRO 52 Ca -0.47 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.40 3mbh h PRO 52 Cb 1.29 -0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.26 3mbh h PRO 52 CO 0.62 0.24 -0.31 0.20 -0.21 0.00 0.00 178.00 178.54 3mbh s GLY 53 N -4.01 1.25 -0.17 -0.55 0.00 -1.26 -5.16 107.32 97.41 3mbh s GLY 53 Ca -0.06 -1.41 -0.30 0.00 0.00 0.00 0.00 44.72 42.95 3mbh s GLY 53 CO 0.71 -1.03 1.01 -0.11 0.00 0.00 0.00 173.10 173.68 3mbh s PHE 54 N -3.68 -0.36 0.61 1.90 -0.71 -1.26 -4.91 117.98 109.57 3mbh s PHE 54 Ca 0.31 0.64 -0.12 0.00 -1.04 0.00 0.00 56.93 56.72 3mbh s PHE 54 Cb 0.02 0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 3mbh s PHE 54 CO 0.15 -0.32 1.02 -1.54 -1.34 0.00 0.00 175.22 173.19 3mbh s SER 55 N -1.02 6.23 -0.20 1.98 1.04 -1.26 -4.95 113.70 115.52 3mbh s SER 55 Ca -0.01 1.47 -0.10 0.00 0.48 0.00 0.00 55.95 57.79 3mbh s SER 55 Cb -0.01 -2.48 0.07 0.00 0.10 0.00 0.00 66.02 63.71 3mbh s SER 55 CO 0.01 -0.87 0.47 0.12 0.98 0.00 0.00 173.24 173.95 3mbh s PHE 56 N -3.05 -0.76 -0.17 5.02 5.36 -1.26 -3.39 117.98 119.74 3mbh s PHE 56 Ca 0.56 1.52 0.00 0.00 -0.96 0.00 0.00 56.93 58.06 3mbh s PHE 56 Cb -0.11 0.36 0.03 0.00 -0.34 0.00 0.00 43.02 42.96 3mbh s PHE 56 CO 0.50 -0.42 -0.11 -1.17 -1.46 0.00 0.00 175.22 172.55 3mbh s LEU 57 N 1.80 1.89 -0.16 6.12 2.96 -0.32 -4.98 118.68 125.99 3mbh s LEU 57 Ca -0.08 -0.66 -0.29 0.00 -0.22 0.00 0.00 54.13 52.89 3mbh s LEU 57 Cb -0.09 -1.15 -0.00 0.00 0.50 0.00 0.00 46.19 45.44 3mbh s LEU 57 CO -0.14 -0.11 0.99 -0.62 -1.32 0.00 0.00 176.35 175.15 3mbh s ASP 58 N 1.48 7.14 -0.27 3.68 -1.08 -1.26 -0.86 116.67 125.50 3mbh s ASP 58 Ca 0.02 1.41 0.13 0.00 -0.52 0.00 0.00 52.55 53.59 3mbh s ASP 58 Cb -0.14 -2.53 0.80 0.00 -1.46 0.00 0.00 42.92 39.58 3mbh s ASP 58 CO -0.09 -0.52 1.78 0.18 0.52 0.00 0.00 175.17 177.03 3mbh n LEU 59 N 5.53 5.90 -0.29 -1.34 4.77 -0.62 -4.61 117.00 126.34 3mbh n LEU 59 Ca 0.09 -3.05 0.09 0.00 -0.03 0.00 0.00 56.01 53.11 3mbh n LEU 59 Cb 0.48 -0.71 0.24 0.00 -2.33 0.00 0.00 43.42 41.10 3mbh n LEU 59 CO 0.51 0.70 1.05 0.74 -1.33 0.00 0.00 177.39 179.06 3mbh h THR 60 N 3.52 0.61 0.00 -5.08 2.02 -1.91 -1.82 112.91 110.24 3mbh h THR 60 Ca 0.10 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 3mbh h THR 60 Cb 2.12 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 3mbh h THR 60 CO 0.59 0.09 -0.26 0.44 0.37 0.00 0.00 175.52 176.74 3mbh h ASP 61 N 0.49 0.00 -0.22 4.18 3.32 -1.97 -3.38 116.42 118.83 3mbh h ASP 61 Ca 0.49 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.30 3mbh h ASP 61 Cb 0.80 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.26 3mbh h ASP 61 CO -0.44 0.26 -0.17 1.21 -1.72 0.00 0.00 179.24 178.38 3mbh n GLU 62 N -3.24 1.97 0.00 3.56 4.07 -0.69 -4.38 120.64 121.94 3mbh n GLU 62 Ca 0.02 -1.18 0.00 0.00 -0.06 0.00 0.00 57.16 55.94 3mbh n GLU 62 Cb 0.57 -1.91 0.00 0.00 -0.06 0.00 0.00 31.44 30.03 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 2.01 0.00 -0.00 5.31 -0.02 -1.26 -2.13 135.00 138.91 3mbh n PRO 64 Ca 0.39 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.78 3mbh n PRO 64 Cb 0.79 0.00 0.06 0.00 -0.02 0.00 0.00 33.50 34.33 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 0.58 0.02 -0.52 1.57 -1.94 -0.85 116.57 115.44 3mbh h LYS 65 Ca 0.00 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3mbh h LYS 65 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3mbh h LYS 65 CO 0.00 0.96 -0.01 0.82 -0.57 0.00 0.00 179.45 180.65 3mbh h ILE 66 N 0.45 1.31 -0.68 1.86 2.04 -1.81 -2.82 117.51 117.86 3mbh h ILE 66 Ca 0.01 -1.06 0.12 0.00 1.00 0.00 0.00 64.86 64.93 3mbh h ILE 66 Cb 1.07 2.02 -0.08 0.00 -0.74 0.00 0.00 36.82 39.09 3mbh h ILE 66 CO 0.10 0.27 0.26 0.40 0.00 0.00 0.00 178.15 179.18 3mbh h ILE 67 N -0.49 0.71 -0.90 -0.67 2.04 -1.83 -0.21 117.51 116.16 3mbh h ILE 67 Ca -0.00 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.77 3mbh h ILE 67 Cb 0.47 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 3mbh h ILE 67 CO 0.01 0.08 0.57 0.00 0.00 0.00 0.00 178.15 178.80 3mbh h ALA 68 N 1.48 1.23 -0.33 1.87 0.00 -1.13 -1.20 119.26 121.18 3mbh h ALA 68 Ca 0.36 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 3mbh h ALA 68 Cb 0.49 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3mbh h ALA 68 CO -0.36 0.35 -0.43 0.93 0.00 0.00 0.00 179.25 179.75 3mbh h GLU 69 N 1.05 0.87 -0.74 0.00 4.39 -1.02 -2.65 114.58 116.49 3mbh h GLU 69 Ca 0.38 -0.50 0.06 0.00 0.34 0.00 0.00 59.36 59.65 3mbh h GLU 69 Cb 0.13 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 3mbh h GLU 69 CO -0.16 1.14 0.49 -1.49 -1.16 0.00 0.00 179.01 177.82 3mbh h TRP 70 N 0.66 0.79 -0.48 4.33 6.55 -0.59 -0.29 115.95 126.93 3mbh h TRP 70 Ca 0.04 0.02 -0.09 0.00 0.95 0.00 0.00 58.89 59.81 3mbh h TRP 70 Cb 1.02 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 29.05 3mbh h TRP 70 CO 0.07 0.42 -0.05 0.87 -1.05 0.00 0.00 178.44 178.70 3mbh h LYS 71 N 0.78 0.87 -0.02 0.49 1.57 -1.06 -2.36 116.57 116.84 3mbh h LYS 71 Ca 0.32 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3mbh h LYS 71 Cb 0.25 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3mbh h LYS 71 CO -0.11 0.94 -0.25 0.87 -0.57 0.00 0.00 179.45 180.33 3mbh h LYS 72 N 0.72 0.04 0.00 3.15 1.57 -0.98 -0.99 116.57 120.08 3mbh h LYS 72 Ca 0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3mbh h LYS 72 Cb 0.58 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3mbh h LYS 72 CO 0.03 0.29 0.00 1.28 -0.57 0.00 0.00 179.45 180.48 3mbh n LEU 73 N -4.23 0.65 -3.29 2.94 4.77 -0.20 -4.94 117.00 112.70 3mbh n LEU 73 Ca -0.02 0.58 -0.23 0.00 -0.03 0.00 0.00 56.01 56.31 3mbh n LEU 73 Cb 0.31 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.06 3mbh n LEU 73 CO 0.38 -0.23 0.12 -0.62 -1.33 0.00 0.00 177.39 175.71 3mbh n GLU 74 N -2.13 -6.43 -2.56 3.23 1.02 -0.38 -4.95 120.64 108.44 3mbh n GLU 74 Ca 0.05 0.87 -0.40 0.00 -0.02 0.00 0.00 57.16 57.66 3mbh n GLU 74 Cb 0.37 -5.82 -0.05 0.00 -0.02 0.00 0.00 31.44 25.92 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 -3.25 3.68 -0.12 2.62 0.11 -1.08 -5.02 120.40 117.34 3mbh s VAL 75 Ca 0.44 1.67 -0.00 0.00 -2.93 0.00 0.00 61.98 61.16 3mbh s VAL 75 Cb -0.20 -4.06 -0.02 0.00 -1.53 0.00 0.00 36.38 30.58 3mbh s VAL 75 CO 0.55 0.39 -0.11 -1.10 -3.33 0.00 0.00 175.10 171.49 3mbh s GLN 76 N -1.41 3.27 -0.10 1.54 -0.21 -1.26 -4.93 119.66 116.56 3mbh s GLN 76 Ca 0.44 -0.65 -0.02 0.00 0.02 0.00 0.00 55.36 55.15 3mbh s GLN 76 Cb -0.30 -2.64 -0.03 0.00 1.00 0.00 0.00 33.01 31.04 3mbh s GLN 76 CO 0.38 0.31 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.78 3mbh s PHE 77 N 0.12 3.10 -0.40 0.91 0.08 -1.26 -4.77 117.98 115.75 3mbh s PHE 77 Ca -0.05 0.07 0.22 0.00 0.12 0.00 0.00 56.93 57.29 3mbh s PHE 77 Cb -0.15 -1.81 0.29 0.00 -0.57 0.00 0.00 43.02 40.78 3mbh s PHE 77 CO 0.04 0.34 1.55 -0.44 -0.10 0.00 0.00 175.22 176.62 3mbh h ASP 78 N 5.51 0.00 -5.02 1.36 3.32 -1.25 -3.44 116.42 116.89 3mbh h ASP 78 Ca -0.46 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 3mbh h ASP 78 Cb 1.19 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.58 3mbh h ASP 78 CO 0.56 0.06 0.03 0.00 -1.72 0.00 0.00 179.24 178.17 3mbh s ALA 79 N -3.19 -1.31 -0.08 3.45 0.00 -1.10 -2.18 121.76 117.34 3mbh s ALA 79 Ca 0.06 0.57 -0.00 0.00 0.00 0.00 0.00 51.96 52.59 3mbh s ALA 79 Cb 0.06 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.60 3mbh s ALA 79 CO 0.69 -0.51 -0.04 0.42 0.00 0.00 0.00 175.76 176.31 3mbh s ILE 80 N -2.50 0.70 -0.21 0.00 1.01 -0.54 -0.89 121.20 118.77 3mbh s ILE 80 Ca -0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.48 3mbh s ILE 80 Cb -0.01 -0.76 0.05 0.00 0.01 0.00 0.00 42.46 41.75 3mbh s ILE 80 CO -0.02 0.30 -0.04 -0.47 0.00 0.00 0.00 174.94 174.71 3mbh s TYR 81 N 1.61 1.91 0.05 3.97 5.04 0.45 -0.58 117.35 129.80 3mbh s TYR 81 Ca 0.01 -1.37 0.02 0.00 -2.44 0.00 0.00 57.07 53.29 3mbh s TYR 81 Cb -0.13 -1.39 -0.04 0.00 0.35 0.00 0.00 41.96 40.75 3mbh s TYR 81 CO -0.05 -0.69 0.08 0.95 -1.34 0.00 0.00 175.55 174.50 3mbh s THR 82 N 1.56 4.61 0.00 4.34 -4.23 -0.13 -0.03 115.64 121.76 3mbh s THR 82 Ca -0.03 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 3mbh s THR 82 Cb -0.17 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.48 3mbh s THR 82 CO -0.07 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 3mbh n GLY 83 N 0.68 4.24 3.66 3.99 0.00 -0.50 -0.75 105.19 116.51 3mbh n GLY 83 Ca -0.10 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 3mbh n GLY 83 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3mbh n TYR 84 N 0.00 2.53 -4.06 1.61 4.19 -1.26 -4.44 117.16 115.73 3mbh n TYR 84 Ca 0.00 -0.36 -0.28 0.00 3.31 0.00 0.00 57.90 60.57 3mbh n TYR 84 Cb 0.00 -2.80 -0.06 0.00 0.49 0.00 0.00 39.34 36.97 3mbh n TYR 84 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 3mbh s LEU 85 N 4.28 3.83 0.16 2.98 1.43 -1.26 -3.55 118.68 126.55 3mbh s LEU 85 Ca 0.88 -0.06 0.24 0.00 -1.03 0.00 0.00 54.13 54.17 3mbh s LEU 85 Cb -0.44 -2.47 0.40 0.00 0.03 0.00 0.00 46.19 43.71 3mbh s LEU 85 CO 0.42 0.12 1.40 1.23 0.23 0.00 0.00 176.35 179.74 3mbh h GLY 86 N 2.82 0.00 -4.07 -3.19 0.00 -1.95 -3.48 103.07 93.21 3mbh h GLY 86 Ca -0.47 0.00 0.09 0.00 0.00 0.00 0.00 47.33 46.95 3mbh h GLY 86 CO 0.65 0.00 0.53 -1.35 0.00 0.00 0.00 176.54 176.37 3mbh s SER 87 N -4.48 -0.37 0.64 0.19 1.04 -1.26 -4.89 113.70 104.56 3mbh s SER 87 Ca 0.07 0.28 0.41 0.00 0.48 0.00 0.00 55.95 57.18 3mbh s SER 87 Cb 0.12 0.33 2.19 0.00 0.10 0.00 0.00 66.02 68.76 3mbh s SER 87 CO 0.70 -0.43 2.30 -0.65 0.98 0.00 0.00 173.24 176.14 3mbh h PRO 88 N 2.39 0.00 0.00 4.02 0.11 -1.91 -1.32 132.00 135.28 3mbh h PRO 88 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3mbh h PRO 88 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3mbh h PRO 88 CO 0.31 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.11 3mbh h ARG 89 N 0.00 0.00 0.00 1.05 3.08 -1.96 -2.85 114.38 113.70 3mbh h ARG 89 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3mbh h ARG 89 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3mbh h ARG 89 CO 0.00 0.00 -0.06 1.96 -1.07 0.00 0.00 179.97 180.80 3mbh h GLN 90 N 0.00 0.00 -0.50 0.04 4.20 -1.63 -3.23 115.11 113.98 3mbh h GLN 90 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 3mbh h GLN 90 Cb 0.31 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 3mbh h GLN 90 CO 0.00 0.06 0.26 0.82 -0.67 0.00 0.00 178.83 179.30 3mbh h ILE 91 N 0.00 0.96 -0.55 2.54 5.03 -1.68 0.01 117.51 123.81 3mbh h ILE 91 Ca -0.00 -0.17 -0.05 0.00 -0.12 0.00 0.00 64.86 64.52 3mbh h ILE 91 Cb 0.72 0.41 -0.02 0.00 -3.03 0.00 0.00 36.82 34.90 3mbh h ILE 91 CO 0.01 0.09 0.16 -0.61 -0.68 0.00 0.00 178.15 177.12 3mbh h GLN 92 N 0.50 0.87 -0.26 2.37 5.75 -1.78 0.18 115.11 122.74 3mbh h GLN 92 Ca 0.22 -0.20 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3mbh h GLN 92 Cb 0.13 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 3mbh h GLN 92 CO -0.15 0.80 0.16 0.82 -2.65 0.00 0.00 178.83 177.80 3mbh h ILE 93 N 0.78 1.10 -0.25 2.39 2.04 -1.54 -0.57 117.51 121.46 3mbh h ILE 93 Ca 0.18 -0.23 -0.17 0.00 1.00 0.00 0.00 64.86 65.63 3mbh h ILE 93 Cb 0.30 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3mbh h ILE 93 CO -0.00 0.10 -0.54 0.58 0.00 0.00 0.00 178.15 178.28 3mbh h VAL 94 N 0.32 1.29 -0.58 1.67 2.07 -0.67 -1.09 116.25 119.26 3mbh h VAL 94 Ca 0.09 -1.75 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 3mbh h VAL 94 Cb 0.02 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3mbh h VAL 94 CO -0.02 0.56 0.28 0.28 0.02 0.00 0.00 177.57 178.69 3mbh h SER 95 N 0.56 0.77 -0.10 0.57 0.02 -0.52 -0.84 113.55 114.02 3mbh h SER 95 Ca 0.01 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.74 3mbh h SER 95 Cb 1.12 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 3mbh h SER 95 CO 0.11 0.68 -0.22 0.44 -1.14 0.00 0.00 176.83 176.71 3mbh h ASP 96 N 0.79 0.51 0.00 3.07 3.32 -0.91 -0.40 116.42 122.81 3mbh h ASP 96 Ca 0.20 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3mbh h ASP 96 Cb 0.12 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3mbh h ASP 96 CO -0.02 0.73 -0.00 0.15 -1.72 0.00 0.00 179.24 178.38 3mbh h PHE 97 N 0.46 -0.00 -0.40 4.55 3.57 -1.01 -0.66 116.94 123.45 3mbh h PHE 97 Ca 0.07 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.60 3mbh h PHE 97 Cb 0.63 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 3mbh h PHE 97 CO 0.02 0.06 0.22 0.82 -2.23 0.00 0.00 178.31 177.20 3mbh h ILE 98 N -0.06 1.01 -0.52 1.41 2.04 -0.92 0.91 117.51 121.39 3mbh h ILE 98 Ca -0.00 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 3mbh h ILE 98 Cb 0.06 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3mbh h ILE 98 CO 0.00 0.08 0.24 0.50 0.00 0.00 0.00 178.15 178.97 3mbh h LYS 99 N 0.45 0.75 0.00 2.37 3.64 -1.02 0.29 116.57 123.05 3mbh h LYS 99 Ca 0.17 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 3mbh h LYS 99 Cb 0.04 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3mbh h LYS 99 CO -0.09 0.64 -0.46 -0.44 -2.27 0.00 0.00 179.45 176.82 3mbh h ASP 100 N 0.69 0.00 -0.00 4.20 3.32 -0.77 -3.36 116.42 120.50 3mbh h ASP 100 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3mbh h ASP 100 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3mbh h ASP 100 CO -0.02 0.46 -0.36 0.49 -1.72 0.00 0.00 179.24 178.09 3mbh n PHE 101 N -3.22 0.00 -2.09 4.55 3.01 0.29 -5.00 117.46 115.00 3mbh n PHE 101 Ca 0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.07 3mbh n PHE 101 Cb 0.72 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.17 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 -1.70 4.32 0.44 -1.08 1.70 0.08 -4.64 118.95 118.08 3mbh s ARG 102 Ca 0.05 2.22 0.07 0.00 -0.47 0.00 0.00 55.73 57.60 3mbh s ARG 102 Cb 0.07 -3.11 -0.01 0.00 -0.57 0.00 0.00 34.95 31.32 3mbh s ARG 102 CO 0.33 -0.30 0.36 -0.65 -1.08 0.00 0.00 175.30 173.96 3mbh s GLN 103 N -0.84 2.42 0.45 3.89 -0.21 -1.26 -4.98 119.66 119.13 3mbh s GLN 103 Ca 0.55 -1.68 0.11 0.00 0.02 0.00 0.00 55.36 54.36 3mbh s GLN 103 Cb -0.40 -2.27 1.01 0.00 1.00 0.00 0.00 33.01 32.35 3mbh s GLN 103 CO 0.46 -0.27 2.07 -1.35 -2.12 0.00 0.00 175.29 174.07 3mbh h PRO 104 N 1.03 0.37 -0.31 2.91 0.11 -2.00 -1.53 132.00 132.57 3mbh h PRO 104 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3mbh h PRO 104 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3mbh h PRO 104 CO 0.59 0.24 0.00 -0.25 -0.21 0.00 0.00 178.00 178.37 3mbh n ASP 105 N -4.49 2.62 -4.75 -2.05 8.00 -1.26 -4.99 116.55 109.63 3mbh n ASP 105 Ca 0.03 -1.88 -0.37 0.00 0.71 0.00 0.00 54.79 53.28 3mbh n ASP 105 Cb 0.13 -0.20 0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3mbh n ASP 105 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3mbh s SER 106 N -1.46 5.28 -0.29 -2.24 0.01 -0.58 -4.99 113.70 109.43 3mbh s SER 106 Ca 0.35 2.53 -0.09 0.00 1.31 0.00 0.00 55.95 60.04 3mbh s SER 106 Cb 0.20 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 3mbh s SER 106 CO 0.28 -1.54 0.14 -0.22 0.41 0.00 0.00 173.24 172.32 3mbh s LEU 107 N -3.78 3.93 -0.37 2.44 2.96 -0.93 -4.91 118.68 118.02 3mbh s LEU 107 Ca 0.74 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 54.20 3mbh s LEU 107 Cb -0.34 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.35 3mbh s LEU 107 CO 0.39 -0.12 0.23 -0.63 -1.32 0.00 0.00 176.35 174.89 3mbh s ILE 108 N 1.65 4.94 -0.17 6.68 -1.09 -1.26 -1.46 121.20 130.48 3mbh s ILE 108 Ca 0.06 -0.58 -0.02 0.00 -2.23 0.00 0.00 60.65 57.88 3mbh s ILE 108 Cb -0.16 -3.66 -0.01 0.00 -1.58 0.00 0.00 42.46 37.04 3mbh s ILE 108 CO 0.07 -0.15 -0.09 -0.69 -1.23 0.00 0.00 174.94 172.84 3mbh s VAL 109 N 1.64 3.17 -0.19 2.92 1.01 0.25 0.22 120.40 129.42 3mbh s VAL 109 Ca 0.04 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3mbh s VAL 109 Cb -0.18 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.85 3mbh s VAL 109 CO 0.08 0.48 -0.12 0.00 0.00 0.00 0.00 175.10 175.55 3mbh s ALA 110 N 0.85 2.00 -0.34 5.51 0.00 -0.37 -0.95 121.76 128.47 3mbh s ALA 110 Ca -0.03 -1.14 -0.21 0.00 0.00 0.00 0.00 51.96 50.57 3mbh s ALA 110 Cb -0.15 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.75 3mbh s ALA 110 CO 0.01 -0.69 0.69 0.34 0.00 0.00 0.00 175.76 176.10 3mbh s ASP 111 N 1.40 6.50 -1.31 0.00 -1.08 0.07 -2.80 116.67 119.46 3mbh s ASP 111 Ca 0.00 0.34 -0.14 0.00 -0.52 0.00 0.00 52.55 52.24 3mbh s ASP 111 Cb -0.15 -2.35 0.11 0.00 -1.46 0.00 0.00 42.92 39.07 3mbh s ASP 111 CO -0.09 -0.60 1.82 -0.81 0.52 0.00 0.00 175.17 176.01 3mbh n PRO 112 N 6.11 3.27 -2.24 4.34 -0.04 -1.26 -4.12 135.00 141.05 3mbh n PRO 112 Ca 0.00 -3.33 -0.43 0.00 -0.04 0.00 0.00 63.50 59.71 3mbh n PRO 112 Cb 0.48 -3.18 -0.02 0.00 -0.04 0.00 0.00 33.50 30.74 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 2.31 3.90 0.00 0.52 1.01 -1.26 -4.74 120.40 122.14 3mbh s VAL 113 Ca 0.46 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.46 3mbh s VAL 113 Cb 0.06 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3mbh s VAL 113 CO 0.00 -0.33 0.00 0.18 0.00 0.00 0.00 175.10 174.96 3mbh n LEU 114 N 7.90 0.00 0.00 3.92 4.77 -1.26 -4.76 117.00 127.57 3mbh n LEU 114 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3mbh n LEU 114 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3mbh n LEU 114 CO 0.63 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3mbh n GLY 115 N 0.43 -1.51 3.71 -0.72 0.00 -1.26 -0.78 105.19 105.07 3mbh n GLY 115 Ca 0.00 -1.03 -0.07 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.36 -0.29 -1.49 1.61 -1.08 -0.60 -4.62 116.67 107.84 3mbh s ASP 116 Ca 0.00 -0.36 -0.13 0.00 -0.52 0.00 0.00 52.55 51.54 3mbh s ASP 116 Cb 0.00 0.58 0.09 0.00 -1.46 0.00 0.00 42.92 42.13 3mbh s ASP 116 CO 0.00 -1.03 0.79 0.59 0.52 0.00 0.00 175.17 176.03 3mbh n ASN 117 N -0.42 -4.41 -1.28 -0.34 4.13 -1.26 -1.67 115.26 110.00 3mbh n ASN 117 Ca -0.07 -0.66 -0.16 0.00 1.68 0.00 0.00 54.58 55.37 3mbh n ASN 117 Cb 0.61 -3.57 -0.06 0.00 -1.54 0.00 0.00 39.78 35.22 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 -1.48 1.43 3.06 7.41 0.00 -1.26 -4.99 105.19 109.35 3mbh n GLY 118 Ca 0.02 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 3mbh n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mbh s ARG 119 N -3.49 0.53 0.50 1.61 0.52 -0.67 -5.07 118.95 112.87 3mbh s ARG 119 Ca 0.00 -0.84 -0.21 0.00 -0.52 0.00 0.00 55.73 54.16 3mbh s ARG 119 Cb 0.00 -0.16 -0.07 0.00 0.52 0.00 0.00 34.95 35.24 3mbh s ARG 119 CO 0.00 0.01 1.11 -0.51 0.02 0.00 0.00 175.30 175.93 3mbh s LEU 120 N -1.85 3.87 0.91 2.53 1.43 -1.26 -1.55 118.68 122.76 3mbh s LEU 120 Ca -0.07 2.15 -0.10 0.00 -1.03 0.00 0.00 54.13 55.07 3mbh s LEU 120 Cb -0.07 -4.45 0.14 0.00 0.03 0.00 0.00 46.19 41.84 3mbh s LEU 120 CO -0.01 -0.99 1.13 -0.31 0.23 0.00 0.00 176.35 176.40 3mbh s TYR 121 N -1.75 1.75 0.09 0.29 2.02 0.04 -4.83 117.35 114.97 3mbh s TYR 121 Ca 0.68 1.71 -0.35 0.00 -0.37 0.00 0.00 57.07 58.74 3mbh s TYR 121 Cb -0.23 -3.28 -0.14 0.00 -0.40 0.00 0.00 41.96 37.90 3mbh s TYR 121 CO 0.27 -2.73 1.57 2.41 -1.57 0.00 0.00 175.55 175.50 3mbh n THR 122 N -4.17 0.09 -0.56 -0.71 -1.04 -1.26 -1.51 114.28 105.11 3mbh n THR 122 Ca 0.11 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3mbh n THR 122 Cb 0.52 -1.41 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 3.71 0.00 -4.79 8.00 3.02 -1.26 -5.01 115.26 118.93 3mbh n ASN 123 Ca 0.18 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.38 3mbh n ASN 123 Cb 0.26 -1.06 -0.03 0.00 -0.61 0.00 0.00 39.78 38.34 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 -2.43 2.96 0.00 3.10 0.40 -0.57 -5.14 117.98 116.31 3mbh s PHE 124 Ca 0.00 1.58 0.00 0.00 -0.60 0.00 0.00 56.93 57.91 3mbh s PHE 124 Cb 0.00 -3.16 0.00 0.00 0.51 0.00 0.00 43.02 40.37 3mbh s PHE 124 CO 0.00 -1.02 0.00 -0.40 0.70 0.00 0.00 175.22 174.50 3mbh n ASP 125 N -0.82 0.00 -1.88 1.36 5.68 -1.26 -4.82 116.55 114.81 3mbh n ASP 125 Ca 0.09 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.37 3mbh n ASP 125 Cb 0.51 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3mbh n ASP 125 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3mbh n GLU 127 N -0.02 -2.13 0.00 0.11 -0.58 -1.26 -4.78 120.64 111.98 3mbh n GLU 127 Ca 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 3mbh n GLU 127 Cb 0.00 -4.35 0.00 0.00 -0.57 0.00 0.00 31.44 26.52 3mbh n GLU 127 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3mbh n VAL 129 N -1.93 0.00 -0.26 2.62 0.31 -1.26 -2.27 118.33 115.53 3mbh n VAL 129 Ca -0.01 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.39 3mbh n VAL 129 Cb 0.31 0.00 0.20 0.00 -0.91 0.00 0.00 33.84 33.44 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 0.28 -1.66 5.55 1.57 -1.93 -1.72 116.57 118.67 3mbh h LYS 130 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3mbh h LYS 130 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3mbh h LYS 130 CO 0.00 0.19 0.00 0.39 -0.57 0.00 0.00 179.45 179.46 3mbh n GLU 131 N -5.14 0.82 0.00 3.15 -0.58 -0.96 -3.76 120.64 114.17 3mbh n GLU 131 Ca 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 3mbh n GLU 131 Cb 0.49 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 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 1.17 0.00 0.00 3.49 1.74 -0.65 -2.15 116.66 120.27 3mbh n ARG 133 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 3mbh n ARG 133 Cb 0.41 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.74 3mbh n ARG 133 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3mbh h HIS 134 N 0.00 0.67 -0.68 -1.55 3.86 -1.87 -3.36 115.15 112.21 3mbh h HIS 134 Ca 0.00 -0.36 -0.01 0.00 -1.16 0.00 0.00 60.37 58.84 3mbh h HIS 134 Cb 0.00 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 3mbh h HIS 134 CO 0.00 1.17 0.37 1.25 0.86 0.00 0.00 177.93 181.58 3mbh h LEU 135 N -0.02 0.86 -2.45 2.43 5.85 -1.79 -2.13 115.31 118.06 3mbh h LEU 135 Ca -0.08 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.55 3mbh h LEU 135 Cb 1.34 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 3mbh h LEU 135 CO 0.13 0.71 0.05 0.16 -0.34 0.00 0.00 178.44 179.15 3mbh h ILE 136 N 0.94 0.47 0.00 4.05 3.07 -1.87 -0.69 117.51 123.48 3mbh h ILE 136 Ca 0.24 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.65 3mbh h ILE 136 Cb 0.05 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 37.56 3mbh h ILE 136 CO -0.04 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 177.41 3mbh n THR 137 N -3.77 0.73 1.14 0.16 -2.24 -0.80 -2.60 114.28 106.90 3mbh n THR 137 Ca -0.02 0.10 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 3mbh n THR 137 Cb 0.13 -0.94 0.20 0.00 -2.10 0.00 0.00 70.33 67.62 3mbh n THR 137 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3mbh n LYS 138 N -2.01 1.37 -3.95 -0.78 4.76 -0.27 -4.63 118.16 112.66 3mbh n LYS 138 Ca 0.04 -1.02 -0.27 0.00 -2.87 0.00 0.00 58.31 54.19 3mbh n LYS 138 Cb 0.27 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.95 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 -2.33 3.96 -0.06 7.82 0.00 -1.07 -4.93 121.76 125.14 3mbh s ALA 139 Ca 0.25 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.28 3mbh s ALA 139 Cb 0.19 -1.77 -0.24 0.00 0.00 0.00 0.00 23.12 21.30 3mbh s ALA 139 CO 0.48 0.61 0.61 -0.44 0.00 0.00 0.00 175.76 177.02 3mbh h ASP 140 N 2.40 0.12 -3.40 0.00 3.32 -0.55 -3.22 116.42 115.09 3mbh h ASP 140 Ca -0.48 -0.27 -0.44 0.00 0.02 0.00 0.00 57.03 55.86 3mbh h ASP 140 Cb 1.19 -0.04 -0.35 0.00 0.22 0.00 0.00 39.33 40.35 3mbh h ASP 140 CO 0.70 1.24 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.99 3mbh s VAL 141 N -2.59 0.65 0.06 -1.35 1.01 -0.55 -1.36 120.40 116.27 3mbh s VAL 141 Ca -0.09 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 61.80 3mbh s VAL 141 Cb 0.08 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 3mbh s VAL 141 CO 0.81 0.26 -0.20 0.27 0.00 0.00 0.00 175.10 176.25 3mbh s ILE 142 N 1.11 1.58 -0.42 2.22 -4.36 -0.69 -1.23 121.20 119.41 3mbh s ILE 142 Ca -0.08 -1.28 0.10 0.00 -0.26 0.00 0.00 60.65 59.14 3mbh s ILE 142 Cb -0.14 -1.41 0.41 0.00 1.25 0.00 0.00 42.46 42.57 3mbh s ILE 142 CO -0.01 0.08 0.97 0.35 0.24 0.00 0.00 174.94 176.57 3mbh n THR 143 N 1.60 1.64 -2.04 8.37 -2.24 -1.12 -1.72 114.28 118.77 3mbh n THR 143 Ca -0.18 -4.40 -0.38 0.00 -2.27 0.00 0.00 64.05 56.81 3mbh n THR 143 Cb 0.54 -0.51 0.01 0.00 -2.10 0.00 0.00 70.33 68.26 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 -3.21 3.59 0.85 -0.78 0.04 -1.06 -4.66 135.00 129.76 3mbh s PRO 144 Ca 0.40 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.35 3mbh s PRO 144 Cb 0.39 -2.44 0.12 0.00 0.04 0.00 0.00 34.50 32.61 3mbh s PRO 144 CO -0.09 -0.77 1.20 0.54 0.04 0.00 0.00 177.00 177.93 3mbh s ASN 145 N -1.06 4.03 0.30 6.66 2.20 -1.26 -1.31 114.94 124.50 3mbh s ASN 145 Ca 0.65 0.50 0.01 0.00 -0.94 0.00 0.00 52.86 53.08 3mbh s ASN 145 Cb -0.35 -0.84 0.55 0.00 -2.00 0.00 0.00 41.25 38.60 3mbh s ASN 145 CO 0.43 -2.17 1.90 0.25 -2.94 0.00 0.00 177.10 174.58 3mbh h LEU 146 N -1.19 0.89 -0.09 3.54 5.85 -1.42 -0.07 115.31 122.83 3mbh h LEU 146 Ca -0.45 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3mbh h LEU 146 Cb 1.29 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 3mbh h LEU 146 CO 0.54 0.56 0.06 0.74 -0.34 0.00 0.00 178.44 180.00 3mbh h THR 147 N 1.01 1.04 -0.58 1.05 2.02 -1.89 -2.80 112.91 112.75 3mbh h THR 147 Ca 0.40 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.46 3mbh h THR 147 Cb 0.25 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3mbh h THR 147 CO -0.16 0.04 0.24 -0.33 0.37 0.00 0.00 175.52 175.68 3mbh h GLU 148 N 0.10 0.83 -0.36 6.66 5.08 -1.63 -2.48 114.58 122.78 3mbh h GLU 148 Ca 0.03 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3mbh h GLU 148 Cb 0.01 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.05 3mbh h GLU 148 CO -0.01 0.68 0.00 1.25 -1.00 0.00 0.00 179.01 179.93 3mbh h LEU 149 N 0.83 -0.14 -0.46 1.33 5.85 -0.78 0.31 115.31 122.25 3mbh h LEU 149 Ca 0.20 0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.85 3mbh h LEU 149 Cb 0.14 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3mbh h LEU 149 CO -0.02 -0.03 -0.40 -0.26 -0.34 0.00 0.00 178.44 177.38 3mbh h PHE 150 N 0.10 1.00 -0.80 1.25 0.04 -1.25 0.10 116.94 117.39 3mbh h PHE 150 Ca 0.18 -0.30 0.01 0.00 2.80 0.00 0.00 57.97 60.65 3mbh h PHE 150 Cb 0.24 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.14 3mbh h PHE 150 CO -0.25 1.09 0.53 1.88 -0.60 0.00 0.00 178.31 180.97 3mbh h TYR 151 N 0.68 1.00 -0.41 -0.55 0.05 -1.17 0.43 116.97 117.00 3mbh h TYR 151 Ca 0.05 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.76 3mbh h TYR 151 Cb 0.97 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 3mbh h TYR 151 CO 0.06 0.63 -0.12 -0.07 -1.05 0.00 0.00 178.16 177.61 3mbh h LEU 152 N 1.08 0.82 -0.12 3.88 3.38 -0.65 -2.90 115.31 120.80 3mbh h LEU 152 Ca 0.30 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3mbh h LEU 152 Cb -0.11 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.41 3mbh h LEU 152 CO -0.07 1.00 0.00 0.18 0.09 0.00 0.00 178.44 179.64 3mbh n LEU 153 N -4.30 0.32 -3.08 1.67 4.77 -0.00 -4.92 117.00 111.45 3mbh n LEU 153 Ca -0.01 0.55 -0.16 0.00 -0.03 0.00 0.00 56.01 56.36 3mbh n LEU 153 Cb 0.38 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 41.07 3mbh n LEU 153 CO 0.43 -0.20 0.13 -0.67 -1.33 0.00 0.00 177.39 175.76 3mbh n ASP 154 N -1.81 -3.11 -4.29 -1.43 2.03 0.07 -5.04 116.55 102.96 3mbh n ASP 154 Ca 0.05 -0.51 -0.16 0.00 0.52 0.00 0.00 54.79 54.70 3mbh n ASP 154 Cb 0.31 -4.41 -0.10 0.00 -0.72 0.00 0.00 41.12 36.20 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 -5.44 1.17 0.41 -0.67 2.02 -0.73 -5.05 118.70 110.40 3mbh s GLU 155 Ca 0.15 -1.51 -0.25 0.00 0.02 0.00 0.00 54.97 53.37 3mbh s GLU 155 Cb -0.06 -0.77 -0.08 0.00 0.10 0.00 0.00 34.13 33.31 3mbh s GLU 155 CO 0.62 0.09 1.23 -2.14 0.02 0.00 0.00 175.26 175.09 3mbh s PRO 156 N -3.73 3.96 0.22 0.39 0.02 -1.26 -4.41 135.00 130.19 3mbh s PRO 156 Ca 0.19 1.99 -0.31 0.00 0.02 0.00 0.00 61.00 62.89 3mbh s PRO 156 Cb 0.02 -2.68 -0.14 0.00 0.02 0.00 0.00 34.50 31.72 3mbh s PRO 156 CO 0.03 -0.44 1.24 0.98 -0.33 0.00 0.00 177.00 178.48 3mbh n TYR 157 N 0.02 1.66 -3.84 6.54 9.36 -1.26 -4.98 117.16 124.65 3mbh n TYR 157 Ca 0.04 0.58 -0.23 0.00 3.32 0.00 0.00 57.90 61.62 3mbh n TYR 157 Cb 0.45 -2.35 -0.17 0.00 -0.63 0.00 0.00 39.34 36.64 3mbh n TYR 157 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 3mbh s LYS 158 N -0.61 0.72 0.17 2.98 2.20 -1.26 -5.05 119.74 118.90 3mbh s LYS 158 Ca 0.69 0.04 0.04 0.00 -0.36 0.00 0.00 55.97 56.38 3mbh s LYS 158 Cb -0.74 -1.00 0.02 0.00 -1.51 0.00 0.00 37.83 34.60 3mbh s LYS 158 CO 0.53 -0.26 1.40 0.00 -0.36 0.00 0.00 175.35 176.65 3mbh h ALA 159 N 8.13 0.57 -3.28 3.13 0.00 -2.00 -3.42 119.26 122.39 3mbh h ALA 159 Ca -0.24 -0.72 -0.63 0.00 0.00 0.00 0.00 54.91 53.32 3mbh h ALA 159 Cb 1.13 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.42 3mbh h ALA 159 CO 0.31 0.92 -0.61 0.16 0.00 0.00 0.00 179.25 180.03 3mbh s ASP 160 N -6.90 4.50 0.10 0.00 -4.77 -1.26 -4.61 116.67 103.73 3mbh s ASP 160 Ca -0.02 -3.31 0.02 0.00 -3.30 0.00 0.00 52.55 45.94 3mbh s ASP 160 Cb 0.10 -1.64 -0.04 0.00 -1.09 0.00 0.00 42.92 40.25 3mbh s ASP 160 CO 0.82 -0.18 0.17 -0.44 0.70 0.00 0.00 175.17 176.24 3mbh s SER 161 N -0.69 5.98 0.73 2.11 0.01 -1.26 -5.12 113.70 115.46 3mbh s SER 161 Ca 0.20 0.11 -0.11 0.00 1.31 0.00 0.00 55.95 57.45 3mbh s SER 161 Cb -0.19 -1.73 0.03 0.00 0.21 0.00 0.00 66.02 64.34 3mbh s SER 161 CO -0.06 0.13 1.08 0.42 0.41 0.00 0.00 173.24 175.23 3mbh s THR 162 N -1.56 3.57 0.38 1.44 -4.23 -1.26 -4.87 115.64 109.12 3mbh s THR 162 Ca 0.33 0.55 0.14 0.00 -1.18 0.00 0.00 61.69 61.52 3mbh s THR 162 Cb -0.12 -3.12 0.35 0.00 1.34 0.00 0.00 72.50 70.96 3mbh s THR 162 CO 0.26 -0.63 1.85 0.44 -0.54 0.00 0.00 174.62 175.99 3mbh h ASP 163 N -0.78 0.53 -0.34 3.99 5.19 -1.99 -0.55 116.42 122.47 3mbh h ASP 163 Ca -0.44 0.05 -0.14 0.00 -0.62 0.00 0.00 57.03 55.88 3mbh h ASP 163 Cb 1.23 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 3mbh h ASP 163 CO 0.54 0.22 -0.29 -0.08 -3.12 0.00 0.00 179.24 176.51 3mbh h GLU 164 N 0.54 0.86 -0.70 3.56 4.57 -1.99 -0.49 114.58 120.92 3mbh h GLU 164 Ca 0.48 -0.40 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 3mbh h GLU 164 Cb 1.01 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 3mbh h GLU 164 CO -0.22 1.04 0.32 0.93 -1.18 0.00 0.00 179.01 179.90 3mbh h GLU 165 N 0.73 1.03 -0.54 1.92 5.08 -1.77 -1.49 114.58 119.54 3mbh h GLU 165 Ca 0.08 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3mbh h GLU 165 Cb 0.85 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 3mbh h GLU 165 CO 0.07 0.83 0.29 -0.07 -1.00 0.00 0.00 179.01 179.13 3mbh h LEU 166 N 0.99 0.67 -1.29 1.33 3.38 -0.84 -0.48 115.31 119.08 3mbh h LEU 166 Ca 0.24 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3mbh h LEU 166 Cb 0.16 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3mbh h LEU 166 CO -0.03 0.57 0.50 0.11 0.09 0.00 0.00 178.44 179.68 3mbh h LYS 167 N 0.72 0.91 -0.46 1.13 1.57 -0.91 -1.07 116.57 118.46 3mbh h LYS 167 Ca 0.19 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3mbh h LYS 167 Cb 0.05 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3mbh h LYS 167 CO -0.03 0.60 0.17 0.93 -0.57 0.00 0.00 179.45 180.55 3mbh h GLU 168 N 0.93 0.70 -0.38 3.15 5.08 -0.55 -2.02 114.58 121.50 3mbh h GLU 168 Ca 0.30 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3mbh h GLU 168 Cb 0.03 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3mbh h GLU 168 CO -0.08 0.65 0.10 1.88 -1.00 0.00 0.00 179.01 180.56 3mbh h TYR 169 N 0.61 0.63 -0.58 4.33 0.05 -0.48 -0.32 116.97 121.21 3mbh h TYR 169 Ca 0.15 -0.07 0.05 0.00 0.05 0.00 0.00 58.73 58.91 3mbh h TYR 169 Cb 0.22 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 37.73 3mbh h TYR 169 CO 0.01 0.62 0.31 -0.07 -1.05 0.00 0.00 178.16 177.97 3mbh h LEU 170 N 0.46 0.45 -0.55 3.88 3.38 -1.14 -0.51 115.31 121.29 3mbh h LEU 170 Ca 0.12 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 3mbh h LEU 170 Cb 0.30 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3mbh h LEU 170 CO 0.00 0.30 -0.14 -0.09 0.09 0.00 0.00 178.44 178.60 3mbh h ARG 171 N 0.59 1.02 -0.53 1.13 9.65 -1.00 -0.58 114.38 124.65 3mbh h ARG 171 Ca 0.25 -0.39 -0.00 0.00 -1.10 0.00 0.00 59.98 58.74 3mbh h ARG 171 Cb 0.15 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.65 3mbh h ARG 171 CO -0.17 1.08 0.32 -0.07 2.80 0.00 0.00 179.97 183.93 3mbh h LEU 172 N 0.90 0.64 -0.36 3.80 3.38 -0.61 0.12 115.31 123.16 3mbh h LEU 172 Ca 0.13 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3mbh h LEU 172 Cb 0.72 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3mbh h LEU 172 CO 0.05 0.51 -0.02 -0.07 0.09 0.00 0.00 178.44 179.00 3mbh h LEU 173 N 0.71 0.64 -1.06 1.67 3.38 -0.96 -3.10 115.31 116.60 3mbh h LEU 173 Ca 0.19 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3mbh h LEU 173 Cb -0.01 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 3mbh h LEU 173 CO -0.04 0.81 0.63 -1.28 0.09 0.00 0.00 178.44 178.66 3mbh h SER 174 N 0.46 1.01 0.12 -0.43 0.87 -0.75 0.56 113.55 115.40 3mbh h SER 174 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3mbh h SER 174 Cb 0.49 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 3mbh h SER 174 CO 0.02 0.66 0.00 0.44 -0.53 0.00 0.00 176.83 177.43 3mbh h ASP 175 N 1.16 0.00 1.26 6.23 3.32 -0.91 0.38 116.42 127.86 3mbh h ASP 175 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 3mbh h ASP 175 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3mbh h ASP 175 CO -0.15 0.00 -0.00 0.29 -1.72 0.00 0.00 179.24 177.66 3mbh n LYS 176 N -2.83 0.15 0.00 3.56 5.02 0.19 -4.94 118.16 119.30 3mbh n LYS 176 Ca -0.02 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3mbh n LYS 176 Cb 0.09 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 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 1.39 1.06 3.69 0.72 0.00 0.12 -4.58 105.19 107.61 3mbh n GLY 177 Ca 0.06 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 4.25 0.28 1.61 0.02 -1.21 -4.89 135.00 135.05 3mbh s PRO 178 Ca 0.00 2.16 0.01 0.00 0.02 0.00 0.00 61.00 63.19 3mbh s PRO 178 Cb 0.00 -3.51 0.56 0.00 0.02 0.00 0.00 34.50 31.57 3mbh s PRO 178 CO 0.00 -0.63 1.81 0.37 -0.33 0.00 0.00 177.00 178.22 3mbh h GLN 179 N 7.84 0.83 -5.22 5.54 4.15 -1.71 -3.39 115.11 123.15 3mbh h GLN 179 Ca -0.41 -0.05 -0.68 0.00 0.77 0.00 0.00 58.65 58.29 3mbh h GLN 179 Cb 1.19 -0.19 -0.34 0.00 0.21 0.00 0.00 27.48 28.36 3mbh h GLN 179 CO 0.91 0.55 -0.87 0.08 -1.93 0.00 0.00 178.83 177.57 3mbh s VAL 180 N -5.95 2.11 -0.07 2.39 1.01 -0.47 -1.23 120.40 118.20 3mbh s VAL 180 Ca -0.12 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 60.93 3mbh s VAL 180 Cb 0.22 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3mbh s VAL 180 CO 0.80 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 175.59 3mbh s VAL 181 N 0.73 1.49 -0.10 2.92 1.01 -0.81 -1.70 120.40 123.95 3mbh s VAL 181 Ca -0.09 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 3mbh s VAL 181 Cb -0.16 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.94 3mbh s VAL 181 CO 0.00 0.43 -0.06 -0.63 0.00 0.00 0.00 175.10 174.84 3mbh s ILE 182 N 0.36 0.88 -0.27 2.22 1.01 -0.70 -0.73 121.20 123.97 3mbh s ILE 182 Ca -0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.24 3mbh s ILE 182 Cb -0.15 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 3mbh s ILE 182 CO 0.05 0.34 0.07 -0.63 0.00 0.00 0.00 174.94 174.76 3mbh s ILE 183 N 1.60 4.11 0.46 2.92 1.01 0.30 -2.55 121.20 129.04 3mbh s ILE 183 Ca 0.02 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.30 3mbh s ILE 183 Cb -0.13 -3.01 0.02 0.00 0.01 0.00 0.00 42.46 39.35 3mbh s ILE 183 CO -0.06 0.23 0.63 0.42 0.00 0.00 0.00 174.94 176.16 3mbh s THR 184 N 1.56 3.02 -0.98 2.92 -4.23 -0.43 -1.13 115.64 116.38 3mbh s THR 184 Ca 0.05 -0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.68 3mbh s THR 184 Cb -0.16 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.63 3mbh s THR 184 CO 0.03 -0.03 0.21 -1.20 -0.54 0.00 0.00 174.62 173.09 3mbh n SER 185 N -2.01 -4.13 -4.65 3.99 7.64 -1.16 -1.29 113.62 112.01 3mbh n SER 185 Ca 0.07 -0.11 -0.42 0.00 1.01 0.00 0.00 58.87 59.43 3mbh n SER 185 Cb 0.59 -3.14 -0.04 0.00 -1.01 0.00 0.00 64.21 60.61 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 -2.79 4.86 0.67 0.44 1.01 -0.48 -4.49 120.40 119.63 3mbh s VAL 186 Ca 0.11 1.56 -0.17 0.00 0.00 0.00 0.00 61.98 63.48 3mbh s VAL 186 Cb -0.05 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 3mbh s VAL 186 CO 0.13 -0.03 1.00 -2.65 0.00 0.00 0.00 175.10 173.56 3mbh n PRO 187 N 5.68 0.70 -3.94 2.72 -0.02 -1.26 -0.46 135.00 138.41 3mbh n PRO 187 Ca 0.05 0.29 -0.35 0.00 -2.02 0.00 0.00 63.50 61.47 3mbh n PRO 187 Cb 0.48 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.66 3.10 0.18 -1.45 1.01 -1.26 -4.73 120.40 115.58 3mbh s VAL 188 Ca 0.76 -0.72 -0.33 0.00 0.00 0.00 0.00 61.98 61.69 3mbh s VAL 188 Cb -0.37 -2.46 -0.13 0.00 0.00 0.00 0.00 36.38 33.41 3mbh s VAL 188 CO 0.48 0.35 1.58 1.57 0.00 0.00 0.00 175.10 179.08 3mbh n HIS 189 N 4.74 2.36 -0.72 5.22 -0.00 -1.26 -0.73 115.22 124.83 3mbh n HIS 189 Ca -0.18 0.25 0.00 0.00 0.46 0.00 0.00 57.72 58.25 3mbh n HIS 189 Cb 0.49 -2.56 0.00 0.00 -0.12 0.00 0.00 29.99 27.81 3mbh n HIS 189 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3mbh n ASP 190 N 3.31 -1.43 -3.80 0.26 8.00 -1.26 -4.88 116.55 116.75 3mbh n ASP 190 Ca 0.16 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.38 3mbh n ASP 190 Cb 0.30 -2.15 -0.12 0.00 -0.02 0.00 0.00 41.12 39.14 3mbh n ASP 190 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3mbh s GLU 191 N -0.97 2.13 0.12 -1.24 2.02 0.09 -4.97 118.70 115.88 3mbh s GLU 191 Ca 0.00 -3.07 0.18 0.00 0.02 0.00 0.00 54.97 52.10 3mbh s GLU 191 Cb 0.00 -3.01 0.77 0.00 0.10 0.00 0.00 34.13 31.98 3mbh s GLU 191 CO 0.00 -1.30 1.56 -0.35 0.02 0.00 0.00 175.26 175.19 3mbh n PRO 192 N 2.19 0.09 0.00 0.39 -0.04 -1.26 -2.16 135.00 134.22 3mbh n PRO 192 Ca 0.21 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 64.15 3mbh n PRO 192 Cb 0.37 -1.68 0.42 0.00 -0.04 0.00 0.00 33.50 32.58 3mbh n PRO 192 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3mbh n HIS 193 N -1.85 0.00 -4.35 0.54 1.44 -1.26 -4.96 115.22 104.79 3mbh n HIS 193 Ca 0.03 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.50 3mbh n HIS 193 Cb 0.18 -0.12 -0.08 0.00 0.12 0.00 0.00 29.99 30.09 3mbh n HIS 193 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3mbh s LYS 194 N -2.47 2.08 0.13 -1.40 1.02 -0.92 -3.39 119.74 114.79 3mbh s LYS 194 Ca 0.26 -1.60 0.03 0.00 0.02 0.00 0.00 55.97 54.68 3mbh s LYS 194 Cb 0.19 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 3mbh s LYS 194 CO 0.50 0.29 -0.08 -0.08 -0.92 0.00 0.00 175.35 175.07 3mbh s THR 195 N -2.42 0.91 0.12 2.17 -1.32 -0.05 -4.15 115.64 110.91 3mbh s THR 195 Ca 0.32 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.84 3mbh s THR 195 Cb -0.04 -1.80 -0.04 0.00 -1.51 0.00 0.00 72.50 69.11 3mbh s THR 195 CO 0.19 -0.78 -0.09 -0.94 -2.21 0.00 0.00 174.62 170.78 3mbh s SER 196 N -3.11 1.55 -0.04 8.08 1.04 0.39 -0.14 113.70 121.45 3mbh s SER 196 Ca 0.15 -0.97 0.06 0.00 0.48 0.00 0.00 55.95 55.67 3mbh s SER 196 Cb 0.04 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 3mbh s SER 196 CO -0.02 -0.35 -0.23 -0.69 0.98 0.00 0.00 173.24 172.94 3mbh s VAL 197 N -3.22 1.84 0.12 5.02 1.01 0.47 -1.39 120.40 124.26 3mbh s VAL 197 Ca 0.13 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.26 3mbh s VAL 197 Cb 0.02 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3mbh s VAL 197 CO -0.01 0.52 -0.27 -0.31 0.00 0.00 0.00 175.10 175.03 3mbh s TYR 198 N -0.20 2.31 0.04 5.22 1.51 -0.28 -1.36 117.35 124.59 3mbh s TYR 198 Ca -0.01 -0.38 -0.12 0.00 -1.01 0.00 0.00 57.07 55.54 3mbh s TYR 198 Cb -0.12 -1.27 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 3mbh s TYR 198 CO 0.02 0.31 0.27 0.00 -1.11 0.00 0.00 175.55 175.04 3mbh s ALA 199 N -1.03 -0.58 -0.00 3.71 0.00 0.13 -0.54 121.76 123.45 3mbh s ALA 199 Ca 0.14 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.05 3mbh s ALA 199 Cb -0.10 0.29 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 3mbh s ALA 199 CO 0.06 -0.38 -0.06 -0.47 0.00 0.00 0.00 175.76 174.90 3mbh s TYR 200 N -2.46 0.53 -0.24 0.00 5.04 0.09 -0.28 117.35 120.04 3mbh s TYR 200 Ca -0.06 -0.10 0.02 0.00 -2.44 0.00 0.00 57.07 54.49 3mbh s TYR 200 Cb -0.01 -0.35 0.05 0.00 0.35 0.00 0.00 41.96 42.00 3mbh s TYR 200 CO -0.03 -0.01 -0.12 1.21 -1.34 0.00 0.00 175.55 175.26 3mbh s ASN 201 N -0.13 4.02 0.47 4.32 3.84 0.05 -1.92 114.94 125.60 3mbh s ASN 201 Ca 0.02 -1.18 0.12 0.00 0.21 0.00 0.00 52.86 52.03 3mbh s ASN 201 Cb -0.02 -1.46 1.08 0.00 -0.55 0.00 0.00 41.25 40.29 3mbh s ASN 201 CO -0.00 -0.15 2.11 -0.09 -2.79 0.00 0.00 177.10 176.17 3mbh h ARG 202 N 7.84 0.24 -6.24 0.43 2.43 -1.47 -0.95 114.38 116.66 3mbh h ARG 202 Ca -0.25 -0.02 -0.53 0.00 -0.81 0.00 0.00 59.98 58.38 3mbh h ARG 202 Cb 1.07 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.50 3mbh h ARG 202 CO 0.49 0.17 1.15 -1.14 -1.51 0.00 0.00 179.97 179.13 3mbh s GLN 203 N -5.25 3.03 0.00 0.20 2.00 -1.26 -2.49 119.66 115.89 3mbh s GLN 203 Ca -0.06 -0.01 0.00 0.00 -2.00 0.00 0.00 55.36 53.29 3mbh s GLN 203 Cb 0.17 -4.26 0.00 0.00 0.80 0.00 0.00 33.01 29.72 3mbh s GLN 203 CO 0.70 -2.33 0.00 0.41 -0.50 0.00 0.00 175.29 173.57 3mbh n GLY 204 N 5.50 0.24 3.78 2.59 0.00 -1.26 -4.65 105.19 111.39 3mbh n GLY 204 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.33 -4.67 1.61 5.15 -0.41 -4.98 115.26 107.63 3mbh n ASN 205 Ca 0.00 -0.73 -0.32 0.00 -0.60 0.00 0.00 54.58 52.93 3mbh n ASN 205 Cb 0.00 -4.22 -0.09 0.00 -0.53 0.00 0.00 39.78 34.94 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 -6.38 2.68 -0.02 1.20 0.52 -0.89 -4.92 118.95 111.14 3mbh s ARG 206 Ca 0.49 -0.69 0.07 0.00 -0.52 0.00 0.00 55.73 55.08 3mbh s ARG 206 Cb -0.24 -2.61 -0.02 0.00 0.52 0.00 0.00 34.95 32.61 3mbh s ARG 206 CO 0.80 0.60 -0.25 0.71 0.02 0.00 0.00 175.30 177.18 3mbh s TYR 207 N -1.13 2.23 0.10 -0.53 1.51 -1.26 -0.77 117.35 117.50 3mbh s TYR 207 Ca 0.21 -0.45 0.06 0.00 -1.01 0.00 0.00 57.07 55.87 3mbh s TYR 207 Cb -0.11 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.26 3mbh s TYR 207 CO 0.12 -0.06 -0.15 -1.58 -1.11 0.00 0.00 175.55 172.77 3mbh s TRP 208 N -0.52 1.36 0.01 2.71 0.52 0.62 -0.45 118.94 123.18 3mbh s TRP 208 Ca 0.08 -0.51 0.01 0.00 0.02 0.00 0.00 56.10 55.70 3mbh s TRP 208 Cb -0.10 -0.73 -0.01 0.00 -1.15 0.00 0.00 33.47 31.48 3mbh s TRP 208 CO -0.00 0.11 -0.03 0.21 0.02 0.00 0.00 176.95 177.26 3mbh s LYS 209 N -2.24 0.22 0.00 4.98 2.20 -0.06 -0.69 119.74 124.15 3mbh s LYS 209 Ca 0.04 -0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.44 3mbh s LYS 209 Cb -0.07 -0.13 -0.00 0.00 -1.51 0.00 0.00 37.83 36.12 3mbh s LYS 209 CO 0.03 0.03 -0.03 0.54 -0.36 0.00 0.00 175.35 175.55 3mbh s VAL 210 N -0.39 0.25 -0.11 4.02 0.11 -0.47 -1.03 120.40 122.79 3mbh s VAL 210 Ca -0.03 -0.23 0.03 0.00 -2.93 0.00 0.00 61.98 58.82 3mbh s VAL 210 Cb -0.03 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.58 3mbh s VAL 210 CO -0.00 0.01 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.69 3mbh s THR 211 N -0.23 2.43 0.02 5.04 2.01 -1.26 -0.39 115.64 123.26 3mbh s THR 211 Ca -0.00 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.12 3mbh s THR 211 Cb -0.02 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 3mbh s THR 211 CO -0.00 0.55 -0.07 0.00 -0.69 0.00 0.00 174.62 174.41 3mbh n PRO 213 N 2.16 3.95 -3.93 0.00 -0.04 -1.26 -0.87 135.00 135.01 3mbh n PRO 213 Ca -0.18 -3.23 -0.09 0.00 -0.04 0.00 0.00 63.50 59.96 3mbh n PRO 213 Cb 0.56 -2.83 -0.05 0.00 -0.04 0.00 0.00 33.50 31.15 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 0.30 0.22 -0.41 0.54 -0.85 -1.22 -4.93 117.35 111.01 3mbh s TYR 214 Ca 0.50 -0.59 0.03 0.00 -0.52 0.00 0.00 57.07 56.50 3mbh s TYR 214 Cb 0.15 0.24 0.11 0.00 0.38 0.00 0.00 41.96 42.84 3mbh s TYR 214 CO -0.05 -0.96 0.14 -0.51 -1.52 0.00 0.00 175.55 172.65 3mbh s LEU 215 N -2.97 4.22 0.46 -3.49 1.43 -1.26 -2.89 118.68 114.18 3mbh s LEU 215 Ca 0.18 -2.44 0.15 0.00 -1.03 0.00 0.00 54.13 51.00 3mbh s LEU 215 Cb -0.01 -1.52 1.06 0.00 0.03 0.00 0.00 46.19 45.76 3mbh s LEU 215 CO 0.05 -0.32 2.01 1.55 0.23 0.00 0.00 176.35 179.87 3mbh h PRO 216 N 7.21 0.00 0.00 1.29 0.13 -1.97 -2.18 132.00 136.48 3mbh h PRO 216 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3mbh h PRO 216 Cb 0.97 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 3mbh h PRO 216 CO 0.57 0.16 -0.07 0.00 -0.23 0.00 0.00 178.00 178.43 3mbh h ALA 217 N 1.84 1.52 0.00 -0.56 0.00 -1.99 -0.69 119.26 119.38 3mbh h ALA 217 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3mbh h ALA 217 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3mbh h ALA 217 CO 0.02 0.08 0.00 0.45 0.00 0.00 0.00 179.25 179.81 3mbh h HIS 218 N 0.00 0.00 -3.33 0.00 3.86 -1.80 -3.39 115.15 110.49 3mbh h HIS 218 Ca -0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 3mbh h HIS 218 Cb 0.16 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.23 3mbh h HIS 218 CO 0.00 0.00 -0.70 0.71 0.86 0.00 0.00 177.93 178.80 3mbh s TYR 219 N -3.53 2.83 0.37 2.45 2.02 -0.27 -4.53 117.35 116.69 3mbh s TYR 219 Ca 0.02 -2.76 -0.26 0.00 -0.37 0.00 0.00 57.07 53.70 3mbh s TYR 219 Cb 0.09 -2.47 -0.12 0.00 -0.40 0.00 0.00 41.96 39.07 3mbh s TYR 219 CO 0.41 -0.82 1.01 -2.30 -1.57 0.00 0.00 175.55 172.27 3mbh n PRO 220 N 3.73 1.37 -0.34 -1.71 -0.02 -1.26 -2.14 135.00 134.63 3mbh n PRO 220 Ca 0.05 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3mbh n PRO 220 Cb 0.36 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 1.19 0.81 0.32 -1.23 0.00 -1.26 -4.43 105.19 100.60 3mbh n GLY 221 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 3mbh n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mbh h THR 222 N 0.00 1.01 -0.61 2.61 1.03 -1.69 -1.08 112.91 114.18 3mbh h THR 222 Ca 0.00 -0.32 0.03 0.00 -0.01 0.00 0.00 66.41 66.11 3mbh h THR 222 Cb 0.00 -0.01 -0.03 0.00 -1.07 0.00 0.00 68.15 67.04 3mbh h THR 222 CO 0.00 0.17 0.40 1.23 -0.01 0.00 0.00 175.52 177.32 3mbh h GLY 223 N 0.94 0.82 1.02 2.99 0.00 -1.91 0.17 103.07 107.10 3mbh h GLY 223 Ca 0.38 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 3mbh h GLY 223 CO -0.19 0.25 -0.12 -0.55 0.00 0.00 0.00 176.54 175.93 3mbh h ASP 224 N 0.73 0.87 -0.28 0.19 3.32 -1.62 -0.79 116.42 118.84 3mbh h ASP 224 Ca 0.24 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3mbh h ASP 224 Cb 0.07 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3mbh h ASP 224 CO -0.06 1.04 0.10 0.74 -1.72 0.00 0.00 179.24 179.34 3mbh h THR 225 N 0.69 1.19 0.23 0.35 2.02 -0.73 -1.10 112.91 115.56 3mbh h THR 225 Ca 0.11 -0.58 0.01 0.00 0.77 0.00 0.00 66.41 66.71 3mbh h THR 225 Cb 0.67 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 3mbh h THR 225 CO 0.05 0.20 -0.48 0.15 0.37 0.00 0.00 175.52 175.81 3mbh h PHE 226 N 0.30 -1.34 -0.26 3.16 3.57 -0.61 -1.04 116.94 120.71 3mbh h PHE 226 Ca 0.09 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 3mbh h PHE 226 Cb 0.21 0.56 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 3mbh h PHE 226 CO -0.00 -0.59 -0.33 1.15 -2.23 0.00 0.00 178.31 176.32 3mbh h THR 227 N -0.79 1.29 -0.37 4.41 2.02 -1.15 0.12 112.91 118.44 3mbh h THR 227 Ca -0.01 -1.43 0.03 0.00 0.77 0.00 0.00 66.41 65.77 3mbh h THR 227 Cb 0.76 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.58 3mbh h THR 227 CO -0.20 0.45 0.17 0.28 0.37 0.00 0.00 175.52 176.59 3mbh h SER 228 N 0.46 0.23 -0.44 4.18 0.02 -1.06 -0.20 113.55 116.76 3mbh h SER 228 Ca 0.05 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.89 3mbh h SER 228 Cb 0.79 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 3mbh h SER 228 CO 0.06 0.18 -0.29 0.58 -1.14 0.00 0.00 176.83 176.22 3mbh h VAL 229 N 0.35 1.27 -0.46 2.27 2.07 -0.40 -1.04 116.25 120.31 3mbh h VAL 229 Ca 0.16 -1.45 0.06 0.00 0.82 0.00 0.00 66.70 66.29 3mbh h VAL 229 Cb 0.09 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3mbh h VAL 229 CO -0.13 0.49 0.16 0.40 0.02 0.00 0.00 177.57 178.52 3mbh h ILE 230 N 0.80 0.85 -0.06 4.57 1.08 -0.66 0.35 117.51 124.45 3mbh h ILE 230 Ca 0.09 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.44 3mbh h ILE 230 Cb 0.87 0.48 -0.00 0.00 -3.07 0.00 0.00 36.82 35.10 3mbh h ILE 230 CO 0.08 0.06 0.02 0.74 -0.69 0.00 0.00 178.15 178.36 3mbh h THR 231 N 0.34 1.17 -0.67 -0.27 2.02 -0.70 -0.58 112.91 114.21 3mbh h THR 231 Ca 0.22 -0.50 0.05 0.00 0.77 0.00 0.00 66.41 66.95 3mbh h THR 231 Cb 0.22 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 3mbh h THR 231 CO -0.22 0.14 0.38 1.23 0.37 0.00 0.00 175.52 177.42 3mbh h GLY 232 N -0.09 0.97 0.81 2.16 0.00 -1.00 -3.12 103.07 102.80 3mbh h GLY 232 Ca 0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 3mbh h GLY 232 CO -0.00 0.19 -0.03 1.76 0.00 0.00 0.00 176.54 178.46 3mbh h SER 233 N 0.72 0.36 0.00 0.19 0.02 -0.69 -1.20 113.55 112.97 3mbh h SER 233 Ca 0.29 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3mbh h SER 233 Cb 0.14 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3mbh h SER 233 CO -0.16 0.62 0.00 0.18 -1.14 0.00 0.00 176.83 176.34 3mbh n LEU 234 N -4.66 0.00 0.00 5.07 4.77 -0.25 -1.12 117.00 120.81 3mbh n LEU 234 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3mbh n LEU 234 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3mbh n LEU 234 CO 0.37 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.43 3mbh n GLN 236 N 0.75 0.00 -0.28 3.23 6.02 -0.45 -3.98 117.38 122.67 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 0.00 0.00 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 0.00 0.80 3.74 1.08 0.00 -1.07 -5.07 105.19 104.67 3mbh n GLY 237 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.29 4.60 0.82 1.61 1.01 -0.28 -5.01 116.67 117.12 3mbh s ASP 238 Ca 0.00 2.18 -0.11 0.00 0.71 0.00 0.00 52.55 55.32 3mbh s ASP 238 Cb 0.00 -2.57 0.08 0.00 1.01 0.00 0.00 42.92 41.44 3mbh s ASP 238 CO 0.00 -1.98 1.09 -0.94 0.21 0.00 0.00 175.17 173.55 3mbh s SER 239 N -2.31 4.27 0.13 0.27 1.04 -1.26 -4.51 113.70 111.33 3mbh s SER 239 Ca 0.71 1.37 -0.23 0.00 0.48 0.00 0.00 55.95 58.28 3mbh s SER 239 Cb -0.25 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 63.75 3mbh s SER 239 CO 0.44 -2.12 1.66 0.25 0.98 0.00 0.00 173.24 174.45 3mbh h LEU 240 N -1.19 -0.50 -2.75 2.42 5.85 -1.98 0.73 115.31 117.89 3mbh h LEU 240 Ca -0.47 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3mbh h LEU 240 Cb 1.27 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.53 3mbh h LEU 240 CO 0.58 -0.21 0.00 -0.81 -0.34 0.00 0.00 178.44 177.65 3mbh n PRO 241 N -5.31 0.23 0.00 5.25 -0.04 -1.26 -1.01 135.00 132.86 3mbh n PRO 241 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3mbh n PRO 241 Cb 0.22 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 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 1.31 0.00 -0.15 0.55 0.00 0.25 -1.56 120.51 120.91 3mbh n ALA 243 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3mbh n ALA 243 Cb 0.11 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.42 0.00 3.38 -1.34 -1.42 115.31 116.04 3mbh h LEU 244 Ca 0.00 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3mbh h LEU 244 Cb 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3mbh h LEU 244 CO 0.00 0.42 0.05 0.44 0.09 0.00 0.00 178.44 179.44 3mbh h ASP 245 N 0.60 0.69 -0.71 -0.43 3.32 -1.55 -1.83 116.42 116.52 3mbh h ASP 245 Ca 0.16 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3mbh h ASP 245 Cb -0.02 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3mbh h ASP 245 CO -0.03 0.79 0.43 0.03 -1.72 0.00 0.00 179.24 178.75 3mbh h ARG 246 N 0.57 0.96 -0.13 3.56 3.08 -1.79 -1.58 114.38 119.04 3mbh h ARG 246 Ca 0.13 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3mbh h ARG 246 Cb 0.41 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3mbh h ARG 246 CO 0.01 0.67 -0.05 0.00 -1.07 0.00 0.00 179.97 179.53 3mbh h ALA 247 N 1.23 0.19 -0.36 0.04 0.00 -1.16 -1.94 119.26 117.25 3mbh h ALA 247 Ca 0.25 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3mbh h ALA 247 Cb -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3mbh h ALA 247 CO -0.05 -0.04 -0.30 1.79 0.00 0.00 0.00 179.25 180.65 3mbh h THR 248 N -0.06 1.28 -0.50 0.00 1.35 -1.32 -1.80 112.91 111.87 3mbh h THR 248 Ca 0.03 -1.47 -0.06 0.00 -0.55 0.00 0.00 66.41 64.36 3mbh h THR 248 Cb 0.50 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.32 3mbh h THR 248 CO 0.02 0.48 0.05 1.56 -0.25 0.00 0.00 175.52 177.38 3mbh h GLN 249 N 0.63 0.80 -0.35 4.72 4.20 -1.34 -1.09 115.11 122.67 3mbh h GLN 249 Ca 0.06 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.49 3mbh h GLN 249 Cb 0.88 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 3mbh h GLN 249 CO 0.08 0.77 -0.14 0.35 -0.67 0.00 0.00 178.83 179.22 3mbh h PHE 250 N 0.76 0.81 -0.84 2.96 3.57 -1.19 -2.19 116.94 120.82 3mbh h PHE 250 Ca 0.15 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3mbh h PHE 250 Cb 0.39 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 3mbh h PHE 250 CO 0.02 0.90 0.44 0.82 -2.23 0.00 0.00 178.31 178.26 3mbh h ILE 251 N 0.49 1.25 -0.45 1.41 2.04 -1.18 -1.64 117.51 119.43 3mbh h ILE 251 Ca 0.08 -0.66 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 3mbh h ILE 251 Cb 0.67 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3mbh h ILE 251 CO 0.05 0.29 -0.10 0.25 0.00 0.00 0.00 178.15 178.63 3mbh h LEU 252 N 1.18 0.80 -0.48 1.44 5.85 -0.95 -0.69 115.31 122.45 3mbh h LEU 252 Ca 0.29 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3mbh h LEU 252 Cb 0.06 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3mbh h LEU 252 CO -0.04 0.92 0.08 1.56 -0.34 0.00 0.00 178.44 180.62 3mbh h GLN 253 N 0.73 0.80 -0.20 1.25 4.20 -1.17 0.76 115.11 121.48 3mbh h GLN 253 Ca 0.12 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 3mbh h GLN 253 Cb 0.59 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3mbh h GLN 253 CO 0.04 0.81 -0.10 0.78 -0.67 0.00 0.00 178.83 179.69 3mbh h GLY 254 N 0.67 0.34 1.12 3.46 0.00 -0.85 -1.16 103.07 106.65 3mbh h GLY 254 Ca 0.15 -0.21 -0.27 0.00 0.00 0.00 0.00 47.33 47.00 3mbh h GLY 254 CO 0.01 0.19 -1.14 -2.22 0.00 0.00 0.00 176.54 173.38 3mbh h ILE 255 N 0.30 1.32 0.00 2.60 2.04 -0.81 -2.35 117.51 120.61 3mbh h ILE 255 Ca 0.06 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.49 3mbh h ILE 255 Cb 0.37 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 3mbh h ILE 255 CO 0.02 0.73 0.00 0.03 0.00 0.00 0.00 178.15 178.93 3mbh h ARG 256 N 0.16 0.00 0.00 2.37 3.08 -0.70 -1.01 114.38 118.28 3mbh h ARG 256 Ca -0.18 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 3mbh h ARG 256 Cb 1.84 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.89 3mbh h ARG 256 CO 0.22 0.00 -0.08 0.00 -1.07 0.00 0.00 179.97 179.04 3mbh h ALA 257 N 2.03 1.20 -0.03 0.04 0.00 -1.27 -3.07 119.26 118.16 3mbh h ALA 257 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3mbh h ALA 257 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3mbh h ALA 257 CO 0.00 0.10 0.00 0.25 0.00 0.00 0.00 179.25 179.60 3mbh n THR 258 N -3.47 0.03 -2.98 0.00 -2.24 -0.38 -4.96 114.28 100.28 3mbh n THR 258 Ca -0.02 -0.18 -0.31 0.00 -2.27 0.00 0.00 64.05 61.27 3mbh n THR 258 Cb 0.22 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.97 3.44 0.00 4.78 0.08 -1.16 -4.47 117.98 118.67 3mbh s PHE 259 Ca 0.39 1.08 0.00 0.00 0.12 0.00 0.00 56.93 58.52 3mbh s PHE 259 Cb 0.20 -2.45 0.00 0.00 -0.57 0.00 0.00 43.02 40.20 3mbh s PHE 259 CO 0.33 -0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.83 3mbh n GLY 260 N -0.96 0.63 3.27 4.36 0.00 -1.26 -5.02 105.19 106.22 3mbh n GLY 260 Ca 0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 3mbh n GLY 260 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mbh s TYR 261 N -2.00 0.16 -0.05 1.61 1.13 -1.26 -5.12 117.35 111.82 3mbh s TYR 261 Ca 0.00 -0.56 -0.30 0.00 -1.41 0.00 0.00 57.07 54.81 3mbh s TYR 261 Cb 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 41.96 40.81 3mbh s TYR 261 CO 0.00 -0.63 1.58 -1.83 -2.51 0.00 0.00 175.55 172.15 3mbh s GLU 262 N -3.89 4.20 -0.01 -3.49 1.03 -1.26 -4.97 118.70 110.31 3mbh s GLU 262 Ca 0.09 2.11 0.02 0.00 0.03 0.00 0.00 54.97 57.21 3mbh s GLU 262 Cb 0.04 -3.88 0.00 0.00 -0.80 0.00 0.00 34.13 29.49 3mbh s GLU 262 CO -0.08 -0.79 -0.06 -0.47 -1.33 0.00 0.00 175.26 172.54 3mbh s TYR 263 N 3.68 0.58 -0.56 4.83 5.04 -1.26 -5.09 117.35 124.56 3mbh s TYR 263 Ca 0.70 -0.12 -0.19 0.00 -2.44 0.00 0.00 57.07 55.02 3mbh s TYR 263 Cb -0.32 -0.41 0.08 0.00 0.35 0.00 0.00 41.96 41.66 3mbh s TYR 263 CO 0.28 -0.05 0.68 0.34 -1.34 0.00 0.00 175.55 175.46 3mbh s ASP 264 N 0.09 6.20 0.64 4.32 -1.08 -1.26 -4.92 116.67 120.67 3mbh s ASP 264 Ca -0.01 -1.19 0.43 0.00 -0.52 0.00 0.00 52.55 51.26 3mbh s ASP 264 Cb -0.05 -2.30 2.29 0.00 -1.46 0.00 0.00 42.92 41.40 3mbh s ASP 264 CO -0.00 -1.04 2.31 0.78 0.52 0.00 0.00 175.17 177.74 3mbh h ASN 265 N 9.13 0.00 -0.14 -0.34 2.35 -1.91 -0.96 115.58 123.70 3mbh h ASN 265 Ca -0.29 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.51 3mbh h ASN 265 Cb 1.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 3mbh h ASN 265 CO 1.05 0.00 0.14 0.03 -1.65 0.00 0.00 177.43 177.00 3mbh h ARG 266 N 0.00 0.00 0.00 0.81 3.08 -1.91 -1.46 114.38 114.90 3mbh h ARG 266 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mbh h ARG 266 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 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 -3.97 0.01 0.00 0.04 1.02 -0.37 -4.58 120.64 112.79 3mbh n GLU 267 Ca 0.01 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 3mbh n GLU 267 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 -0.28 -2.89 3.71 0.62 0.00 -0.55 -3.45 105.19 102.35 3mbh n GLY 268 Ca 0.03 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.75 2.48 -1.36 -0.61 -4.36 -1.26 -4.90 121.20 110.44 3mbh s ILE 269 Ca 0.00 0.18 -0.11 0.00 -0.26 0.00 0.00 60.65 60.46 3mbh s ILE 269 Cb 0.00 -2.48 0.11 0.00 1.25 0.00 0.00 42.46 41.34 3mbh s ILE 269 CO 0.00 -0.18 2.09 0.18 0.24 0.00 0.00 174.94 177.27 3mbh n LEU 270 N -3.57 6.92 -0.28 0.37 4.77 -0.88 -4.83 117.00 119.51 3mbh n LEU 270 Ca 0.12 -4.47 0.05 0.00 -0.03 0.00 0.00 56.01 51.68 3mbh n LEU 270 Cb 0.52 -1.54 0.15 0.00 -2.33 0.00 0.00 43.42 40.21 3mbh n LEU 270 CO 0.50 1.36 0.77 0.25 -1.33 0.00 0.00 177.39 178.93 3mbh h LEU 271 N 8.44 -0.54 -1.34 2.23 5.85 -1.90 -1.56 115.31 126.48 3mbh h LEU 271 Ca 0.50 0.23 -0.05 0.00 0.84 0.00 0.00 57.88 59.39 3mbh h LEU 271 Cb 0.60 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3mbh h LEU 271 CO 1.72 -0.24 -0.10 -0.33 -0.34 0.00 0.00 178.44 179.15 3mbh h GLU 272 N 0.04 0.31 0.00 1.25 3.07 -2.00 0.17 114.58 117.42 3mbh h GLU 272 Ca 0.42 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 59.16 3mbh h GLU 272 Cb 0.72 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 3mbh h GLU 272 CO -0.77 0.43 -0.22 -0.22 -1.40 0.00 0.00 179.01 176.83 3mbh h LYS 273 N 0.30 0.00 -0.00 2.33 1.63 -1.69 -3.30 116.57 115.83 3mbh h LYS 273 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3mbh h LYS 273 Cb 0.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 3mbh h LYS 273 CO 0.02 0.22 -0.01 1.33 -3.45 0.00 0.00 179.45 177.56 3mbh n VAL 274 N -3.38 0.00 -0.33 2.00 0.24 -0.53 -4.75 118.33 111.58 3mbh n VAL 274 Ca 0.00 -0.49 0.12 0.00 -2.04 0.00 0.00 64.34 61.93 3mbh n VAL 274 Cb 0.43 1.02 0.33 0.00 -1.47 0.00 0.00 33.84 34.14 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 0.14 0.77 0.00 1.34 5.85 -0.81 0.85 115.31 123.45 3mbh h LEU 275 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3mbh h LEU 275 Cb 0.04 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3mbh h LEU 275 CO 0.00 0.33 0.00 1.41 -0.34 0.00 0.00 178.44 179.84 3mbh n HIS 276 N -4.67 0.00 1.37 1.25 8.25 -1.26 -2.07 115.22 118.09 3mbh n HIS 276 Ca 0.21 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.81 3mbh n HIS 276 Cb 0.52 -0.15 0.48 0.00 1.12 0.00 0.00 29.99 31.96 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 -1.15 1.06 -0.06 0.41 3.02 0.29 -4.47 115.26 114.36 3mbh n ASN 277 Ca 0.11 -1.04 0.08 0.00 -0.03 0.00 0.00 54.58 53.71 3mbh n ASN 277 Cb 0.10 0.06 0.46 0.00 -0.61 0.00 0.00 39.78 39.79 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 1.43 0.43 -7.47 3.41 3.38 -1.54 -3.48 115.31 111.47 3mbh h LEU 278 Ca 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 3mbh h LEU 278 Cb 0.47 -0.09 -0.35 0.00 0.09 0.00 0.00 40.66 40.77 3mbh h LEU 278 CO 0.00 0.28 -0.23 1.51 0.09 0.00 0.00 178.44 180.09 3mbh s ASP 279 N -6.41 5.62 0.06 -0.43 3.84 -1.26 -5.09 116.67 113.00 3mbh s ASP 279 Ca -0.08 -3.23 -0.22 0.00 -0.00 0.00 0.00 52.55 49.02 3mbh s ASP 279 Cb 0.19 -1.89 -0.06 0.00 -1.38 0.00 0.00 42.92 39.77 3mbh s ASP 279 CO 0.74 -0.30 0.64 -2.84 -0.00 0.00 0.00 175.17 173.42 3mbh s PRO 281 N -0.62 4.34 -0.02 2.11 0.02 -1.26 -5.23 135.00 134.34 3mbh s PRO 281 Ca 0.22 0.86 0.06 0.00 0.02 0.00 0.00 61.00 62.16 3mbh s PRO 281 Cb -0.14 -3.29 -0.02 0.00 0.02 0.00 0.00 34.50 31.07 3mbh s PRO 281 CO -0.08 0.50 -0.20 0.42 -0.33 0.00 0.00 177.00 177.32 3mbh s ILE 282 N -0.71 2.60 0.00 2.83 -1.09 -1.26 -5.20 121.20 118.37 3mbh s ILE 282 Ca 0.32 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 3mbh s ILE 282 Cb -0.20 -1.99 0.00 0.00 -1.58 0.00 0.00 42.46 38.70 3mbh s ILE 282 CO 0.20 0.55 0.00 1.67 -1.23 0.00 0.00 174.94 176.13 3mbh n GLN 283 N 2.25 3.50 0.00 2.79 7.27 -1.26 -5.13 117.38 126.80 3mbh n GLN 283 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.90 3mbh n GLN 283 Cb 0.52 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.17 3mbh n GLN 283 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3mbh n ALA 285 N -3.00 0.00 -1.76 1.69 0.00 -1.26 -5.01 120.51 111.17 3mbh n ALA 285 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3mbh n ALA 285 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.00 5.93 0.05 0.00 1.04 -1.26 -4.77 113.70 114.68 3mbh s SER 286 Ca 0.00 2.53 -0.01 0.00 0.48 0.00 0.00 55.95 58.96 3mbh s SER 286 Cb 0.00 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 3mbh s SER 286 CO 0.00 -1.10 -0.03 -0.72 0.98 0.00 0.00 173.24 172.37 3mbh s TYR 287 N -1.40 0.49 0.20 5.02 1.13 -0.19 -4.97 117.35 117.61 3mbh s TYR 287 Ca 0.64 -0.92 -0.29 0.00 -1.41 0.00 0.00 57.07 55.09 3mbh s TYR 287 Cb -0.35 -0.35 -0.08 0.00 -1.10 0.00 0.00 41.96 40.08 3mbh s TYR 287 CO 0.42 -0.31 0.93 -2.00 -2.51 0.00 0.00 175.55 172.08 3mbh s GLU 288 N -3.29 4.79 -0.47 -3.49 2.12 -1.26 -0.88 118.70 116.21 3mbh s GLU 288 Ca 0.02 1.44 -0.17 0.00 0.36 0.00 0.00 54.97 56.62 3mbh s GLU 288 Cb 0.03 -3.31 0.06 0.00 0.26 0.00 0.00 34.13 31.18 3mbh s GLU 288 CO -0.07 0.44 0.46 -0.51 -0.54 0.00 0.00 175.26 175.04 3mbh s LEU 289 N -0.85 5.32 0.00 2.70 1.43 0.41 -4.90 118.68 122.79 3mbh s LEU 289 Ca 0.42 -1.11 0.29 0.00 -1.03 0.00 0.00 54.13 52.70 3mbh s LEU 289 Cb -0.25 -2.28 1.26 0.00 0.03 0.00 0.00 46.19 44.95 3mbh s LEU 289 CO 0.31 -0.70 1.86 2.30 0.23 0.00 0.00 176.35 180.35