#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 -0.14 -0.44 2.98 0.00 -1.26 -5.13 121.76 117.77 3mbh s ALA 3 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.64 3mbh s ALA 3 Cb 0.00 0.16 0.19 0.00 0.00 0.00 0.00 23.12 23.47 3mbh s ALA 3 CO 0.00 -0.23 0.50 -1.71 0.00 0.00 0.00 175.76 174.32 3mbh n ASN 4 N 1.26 -1.36 -4.70 0.00 2.85 -1.26 -5.16 115.26 106.89 3mbh n ASN 4 Ca -0.22 -2.62 -0.29 0.00 -0.11 0.00 0.00 54.58 51.35 3mbh n ASN 4 Cb 0.56 0.21 0.17 0.00 1.24 0.00 0.00 39.78 41.96 3mbh n ASN 4 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3mbh s LYS 5 N 0.16 0.53 -0.38 1.20 -0.14 -1.26 -5.02 119.74 114.84 3mbh s LYS 5 Ca 0.32 0.43 -0.29 0.00 -1.36 0.00 0.00 55.97 55.07 3mbh s LYS 5 Cb 0.06 -1.76 0.02 0.00 -1.68 0.00 0.00 37.83 34.47 3mbh s LYS 5 CO -0.15 -2.64 1.11 0.08 -0.76 0.00 0.00 175.35 172.99 3mbh s VAL 6 N -3.05 4.38 0.42 3.17 1.01 -1.26 -5.04 120.40 120.03 3mbh s VAL 6 Ca 0.65 1.53 -0.24 0.00 0.00 0.00 0.00 61.98 63.92 3mbh s VAL 6 Cb -0.18 -4.47 -0.08 0.00 0.00 0.00 0.00 36.38 31.65 3mbh s VAL 6 CO 0.56 -0.68 1.14 -0.54 0.00 0.00 0.00 175.10 175.59 3mbh s LYS 7 N 3.98 3.96 -0.11 2.72 1.02 -1.26 -4.74 119.74 125.30 3mbh s LYS 7 Ca 0.47 1.75 -0.02 0.00 0.02 0.00 0.00 55.97 58.19 3mbh s LYS 7 Cb -0.10 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.64 3mbh s LYS 7 CO 0.22 -0.38 -0.04 0.15 -0.92 0.00 0.00 175.35 174.38 3mbh s LYS 8 N -2.50 3.24 -0.16 1.68 1.02 -1.26 -1.17 119.74 120.59 3mbh s LYS 8 Ca 0.60 -0.51 0.01 0.00 0.02 0.00 0.00 55.97 56.08 3mbh s LYS 8 Cb -0.28 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.26 3mbh s LYS 8 CO 0.35 0.46 -0.18 0.42 -0.92 0.00 0.00 175.35 175.48 3mbh s ILE 9 N -0.25 2.34 -0.18 2.17 1.01 0.37 -0.23 121.20 126.43 3mbh s ILE 9 Ca 0.04 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 3mbh s ILE 9 Cb -0.13 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.37 3mbh s ILE 9 CO 0.02 0.53 1.03 0.00 0.00 0.00 0.00 174.94 176.52 3mbh s ALA 10 N 0.96 3.59 -0.39 9.38 0.00 0.33 -0.18 121.76 135.44 3mbh s ALA 10 Ca -0.03 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 3mbh s ALA 10 Cb -0.15 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.54 3mbh s ALA 10 CO -0.04 -0.89 0.19 0.00 0.00 0.00 0.00 175.76 175.02 3mbh s ALA 11 N 2.77 3.16 -0.95 0.00 0.00 -0.02 -1.31 121.76 125.41 3mbh s ALA 11 Ca 0.46 -2.18 -0.14 0.00 0.00 0.00 0.00 51.96 50.10 3mbh s ALA 11 Cb -0.16 -2.44 0.21 0.00 0.00 0.00 0.00 23.12 20.73 3mbh s ALA 11 CO 0.10 -1.61 0.98 0.08 0.00 0.00 0.00 175.76 175.31 3mbh s VAL 12 N 1.31 5.47 0.15 0.00 1.01 -0.15 -0.96 120.40 127.22 3mbh s VAL 12 Ca 0.03 -2.52 -0.11 0.00 0.00 0.00 0.00 61.98 59.38 3mbh s VAL 12 Cb -0.22 -4.61 0.01 0.00 0.00 0.00 0.00 36.38 31.56 3mbh s VAL 12 CO -0.00 -1.22 0.32 -1.00 0.00 0.00 0.00 175.10 173.20 3mbh s HIS 13 N 0.50 0.16 0.79 5.22 3.76 -1.22 -0.63 115.29 123.86 3mbh s HIS 13 Ca 0.26 -0.52 -0.12 0.00 -0.15 0.00 0.00 55.06 54.53 3mbh s HIS 13 Cb -0.08 0.07 0.06 0.00 1.11 0.00 0.00 32.58 33.74 3mbh s HIS 13 CO -0.08 -0.71 1.11 0.16 -0.85 0.00 0.00 174.74 174.36 3mbh s ASP 14 N -2.90 4.62 -0.30 1.40 -4.77 -1.21 -1.79 116.67 111.72 3mbh s ASP 14 Ca 0.11 1.20 -0.07 0.00 -3.30 0.00 0.00 52.55 50.49 3mbh s ASP 14 Cb 0.03 -1.92 0.01 0.00 -1.09 0.00 0.00 42.92 39.95 3mbh s ASP 14 CO -0.05 -1.88 0.09 -0.22 0.70 0.00 0.00 175.17 173.81 3mbh s LEU 15 N -5.69 3.90 -0.09 2.11 2.96 -0.19 -1.85 118.68 119.83 3mbh s LEU 15 Ca 0.61 -0.70 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 3mbh s LEU 15 Cb -0.13 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 3mbh s LEU 15 CO 0.53 -0.20 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.77 3mbh s SER 16 N 1.51 3.86 0.30 3.68 0.01 -1.26 -1.13 113.70 120.67 3mbh s SER 16 Ca 0.03 -0.31 0.23 0.00 1.31 0.00 0.00 55.95 57.21 3mbh s SER 16 Cb -0.17 -1.18 1.09 0.00 0.21 0.00 0.00 66.02 65.97 3mbh s SER 16 CO 0.03 0.25 1.69 0.61 0.41 0.00 0.00 173.24 176.23 3mbh n GLY 17 N 2.94 -1.07 1.06 3.44 0.00 -0.28 -4.79 105.19 106.49 3mbh n GLY 17 Ca -0.18 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.68 -1.81 3.06 -0.02 0.00 -1.26 -4.93 105.19 99.55 3mbh n GLY 19 Ca 0.00 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.69 2.91 0.24 1.61 0.52 -1.21 -4.91 118.95 113.41 3mbh s ARG 20 Ca 0.00 -3.08 0.02 0.00 -0.52 0.00 0.00 55.73 52.15 3mbh s ARG 20 Cb 0.00 -3.78 -0.05 0.00 0.52 0.00 0.00 34.95 31.64 3mbh s ARG 20 CO 0.00 -1.24 0.05 0.14 0.02 0.00 0.00 175.30 174.27 3mbh s VAL 21 N -1.01 0.74 0.00 3.52 -7.23 -1.26 -4.26 120.40 110.89 3mbh s VAL 21 Ca 0.24 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 3mbh s VAL 21 Cb -0.11 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.34 3mbh s VAL 21 CO -0.10 -0.16 0.00 -1.54 -0.31 0.00 0.00 175.10 172.99 3mbh n SER 22 N -0.43 0.00 0.11 4.85 3.41 -1.26 -2.43 113.62 117.86 3mbh n SER 22 Ca -0.03 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.64 3mbh n SER 22 Cb 0.65 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 65.11 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 0.26 0.00 1.04 3.38 -1.67 0.16 115.31 118.48 3mbh h LEU 23 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3mbh h LEU 23 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3mbh h LEU 23 CO 0.00 0.21 0.00 0.35 0.09 0.00 0.00 178.44 179.09 3mbh n THR 24 N -4.48 0.17 -0.07 0.22 -2.24 -1.02 -1.15 114.28 105.71 3mbh n THR 24 Ca 0.00 0.04 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 3mbh n THR 24 Cb 0.09 -0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 67.56 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 -1.13 0.73 -0.06 2.28 0.31 0.40 -4.55 118.33 116.33 3mbh n VAL 25 Ca 0.13 -0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 64.11 3mbh n VAL 25 Cb 0.11 -1.23 -0.04 0.00 -0.91 0.00 0.00 33.84 31.77 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 -0.19 1.16 0.73 2.52 2.07 -1.00 -2.23 116.25 119.31 3mbh h VAL 26 Ca -0.31 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 3mbh h VAL 26 Cb 1.39 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3mbh h VAL 26 CO -0.11 0.15 -0.48 0.40 0.02 0.00 0.00 177.57 177.55 3mbh h ILE 27 N 0.19 0.04 -0.85 4.57 2.04 -1.38 -1.67 117.51 120.45 3mbh h ILE 27 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3mbh h ILE 27 Cb 0.16 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 3mbh h ILE 27 CO -0.01 0.00 0.48 -0.65 0.00 0.00 0.00 178.15 177.97 3mbh h PRO 28 N -1.15 1.18 0.10 2.37 0.11 -1.76 -1.16 132.00 131.68 3mbh h PRO 28 Ca -0.10 -0.13 -0.00 0.00 0.11 0.00 0.00 66.00 65.88 3mbh h PRO 28 Cb 0.93 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3mbh h PRO 28 CO 0.07 0.86 -0.05 0.82 -0.21 0.00 0.00 178.00 179.49 3mbh h ILE 29 N 1.18 1.04 -0.27 4.15 2.04 -1.37 -1.86 117.51 122.41 3mbh h ILE 29 Ca 0.30 -0.51 -0.17 0.00 1.00 0.00 0.00 64.86 65.48 3mbh h ILE 29 Cb 0.01 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3mbh h ILE 29 CO -0.05 0.13 -0.51 -0.07 0.00 0.00 0.00 178.15 177.64 3mbh h LEU 30 N -0.36 0.85 -0.85 1.44 3.38 -1.26 -2.80 115.31 115.70 3mbh h LEU 30 Ca -0.01 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.58 3mbh h LEU 30 Cb 0.30 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 3mbh h LEU 30 CO 0.02 1.21 0.53 0.28 0.09 0.00 0.00 178.44 180.57 3mbh h SER 31 N 0.60 0.84 0.00 -0.43 0.02 -1.19 -1.76 113.55 111.62 3mbh h SER 31 Ca 0.02 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3mbh h SER 31 Cb 1.10 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 3mbh h SER 31 CO 0.11 0.54 -0.00 -1.20 -1.14 0.00 0.00 176.83 175.14 3mbh n SER 32 N -4.62 3.07 -0.23 3.07 7.64 -0.70 -3.99 113.62 117.85 3mbh n SER 32 Ca 0.12 -1.82 0.02 0.00 1.01 0.00 0.00 58.87 58.20 3mbh n SER 32 Cb 0.17 -0.65 0.03 0.00 -1.01 0.00 0.00 64.21 62.74 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 1.75 0.79 3.47 0.23 0.00 -0.99 -4.97 105.19 105.47 3mbh n GLY 34 Ca 0.01 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.69 2.62 -0.14 1.61 0.08 -0.70 -4.50 117.98 116.26 3mbh s PHE 35 Ca 0.06 -0.22 -0.29 0.00 0.12 0.00 0.00 56.93 56.61 3mbh s PHE 35 Cb 0.06 -1.53 -0.01 0.00 -0.57 0.00 0.00 43.02 40.97 3mbh s PHE 35 CO 0.01 0.22 1.01 -1.14 -0.10 0.00 0.00 175.22 175.22 3mbh s GLN 36 N -1.16 4.38 -0.20 0.44 0.74 -0.32 -3.29 119.66 120.25 3mbh s GLN 36 Ca 0.14 1.37 -0.15 0.00 0.05 0.00 0.00 55.36 56.77 3mbh s GLN 36 Cb -0.11 -3.57 -0.04 0.00 1.10 0.00 0.00 33.01 30.39 3mbh s GLN 36 CO 0.04 -0.40 0.34 0.08 -0.55 0.00 0.00 175.29 174.79 3mbh s VAL 37 N 2.34 5.25 -0.35 1.34 1.01 -1.26 -0.48 120.40 128.24 3mbh s VAL 37 Ca 0.47 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 63.02 3mbh s VAL 37 Cb -0.17 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.62 3mbh s VAL 37 CO 0.15 0.30 0.10 0.00 0.00 0.00 0.00 175.10 175.64 3mbh s PRO 39 N 1.17 4.74 -0.65 0.00 0.04 -1.26 -0.84 135.00 138.21 3mbh s PRO 39 Ca 0.03 1.44 0.01 0.00 0.04 0.00 0.00 61.00 62.51 3mbh s PRO 39 Cb -0.21 -3.34 0.16 0.00 0.04 0.00 0.00 34.50 31.15 3mbh s PRO 39 CO -0.03 0.34 0.44 -1.17 0.04 0.00 0.00 177.00 176.62 3mbh s LEU 40 N -0.47 4.91 0.34 -3.56 2.96 -0.13 -4.86 118.68 117.87 3mbh s LEU 40 Ca 0.44 -3.23 -0.28 0.00 -0.22 0.00 0.00 54.13 50.85 3mbh s LEU 40 Cb -0.24 -1.76 -0.10 0.00 0.50 0.00 0.00 46.19 44.60 3mbh s LEU 40 CO 0.30 -0.24 1.23 -2.16 -1.32 0.00 0.00 176.35 174.16 3mbh s PRO 41 N -0.59 4.33 -0.08 0.98 0.04 -1.26 -3.43 135.00 134.99 3mbh s PRO 41 Ca 0.20 2.03 0.20 0.00 0.04 0.00 0.00 61.00 63.47 3mbh s PRO 41 Cb -0.17 -2.99 -0.28 0.00 0.04 0.00 0.00 34.50 31.10 3mbh s PRO 41 CO -0.06 -0.14 0.38 0.25 0.04 0.00 0.00 177.00 177.46 3mbh n THR 42 N 0.68 0.62 -3.56 1.26 -2.24 -0.74 -4.84 114.28 105.47 3mbh n THR 42 Ca 0.01 -0.65 -0.07 0.00 -2.27 0.00 0.00 64.05 61.07 3mbh n THR 42 Cb 0.44 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 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 -3.09 -1.95 -0.17 6.98 0.00 -1.26 -1.87 121.76 120.40 3mbh s ALA 43 Ca -0.08 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.26 3mbh s ALA 43 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.16 3mbh s ALA 43 CO 0.87 -0.57 -0.16 0.08 0.00 0.00 0.00 175.76 175.98 3mbh s VAL 44 N -2.42 2.55 0.09 0.00 1.01 -0.74 -1.02 120.40 119.87 3mbh s VAL 44 Ca 0.06 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.33 3mbh s VAL 44 Cb -0.01 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3mbh s VAL 44 CO -0.06 0.51 -0.23 -0.76 0.00 0.00 0.00 175.10 174.57 3mbh s LEU 45 N 0.99 2.27 0.40 3.92 1.02 -0.28 -1.07 118.68 125.93 3mbh s LEU 45 Ca -0.02 -0.66 0.08 0.00 0.02 0.00 0.00 54.13 53.55 3mbh s LEU 45 Cb -0.15 -1.02 0.87 0.00 0.02 0.00 0.00 46.19 45.91 3mbh s LEU 45 CO -0.03 0.12 2.02 0.77 0.02 0.00 0.00 176.35 179.25 3mbh h SER 46 N 4.24 0.49 -5.50 2.29 4.64 -1.85 -0.74 113.55 117.12 3mbh h SER 46 Ca -0.47 -0.01 0.23 0.00 -0.47 0.00 0.00 61.79 61.08 3mbh h SER 46 Cb 1.17 -0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 63.06 3mbh h SER 46 CO 0.41 0.34 0.62 0.54 -0.87 0.00 0.00 176.83 177.86 3mbh s ASN 47 N -6.49 -0.11 0.97 4.97 4.22 -1.26 -2.65 114.94 114.59 3mbh s ASN 47 Ca -0.08 -0.36 -0.12 0.00 -2.14 0.00 0.00 52.86 50.16 3mbh s ASN 47 Cb 0.18 0.38 0.17 0.00 1.28 0.00 0.00 41.25 43.26 3mbh s ASN 47 CO 0.74 -0.71 1.09 -1.38 -2.04 0.00 0.00 177.10 174.80 3mbh s HIS 48 N -2.82 2.11 -2.06 1.54 -3.43 -1.26 -4.82 115.29 104.56 3mbh s HIS 48 Ca 0.15 1.13 0.29 0.00 -0.80 0.00 0.00 55.06 55.83 3mbh s HIS 48 Cb 0.00 -3.21 1.26 0.00 -1.43 0.00 0.00 32.58 29.21 3mbh s HIS 48 CO 0.01 -2.78 1.87 0.25 -2.00 0.00 0.00 174.74 172.09 3mbh n THR 49 N -4.13 0.00 1.62 -5.38 -2.24 -1.26 -3.23 114.28 99.67 3mbh n THR 49 Ca 0.06 -0.13 0.15 0.00 -2.27 0.00 0.00 64.05 61.86 3mbh n THR 49 Cb 0.56 0.09 0.64 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.51 1.43 -1.67 -0.78 6.02 -1.26 -4.71 117.38 115.91 3mbh n GLN 50 Ca 0.18 -0.67 -0.31 0.00 -0.01 0.00 0.00 57.00 56.19 3mbh n GLN 50 Cb 0.28 -1.49 0.04 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 -2.03 3.07 0.36 1.08 2.02 -1.20 -4.96 117.35 115.69 3mbh s TYR 51 Ca 0.40 1.45 0.05 0.00 -0.37 0.00 0.00 57.07 58.60 3mbh s TYR 51 Cb 0.21 -2.91 0.72 0.00 -0.40 0.00 0.00 41.96 39.58 3mbh s TYR 51 CO 0.35 -1.22 1.96 -1.35 -1.57 0.00 0.00 175.55 173.73 3mbh h PRO 52 N -0.48 0.76 -4.55 -1.71 0.11 -1.91 -3.44 132.00 120.79 3mbh h PRO 52 Ca -0.44 -0.05 -0.23 0.00 0.11 0.00 0.00 66.00 65.39 3mbh h PRO 52 Cb 1.21 -0.17 -0.15 0.00 0.11 0.00 0.00 31.00 32.00 3mbh h PRO 52 CO 0.57 0.50 -0.62 0.20 -0.21 0.00 0.00 178.00 178.44 3mbh s GLY 53 N -3.55 1.34 -0.23 -0.55 0.00 -1.26 -5.16 107.32 97.91 3mbh s GLY 53 Ca -0.10 -1.65 -0.27 0.00 0.00 0.00 0.00 44.72 42.70 3mbh s GLY 53 CO 0.77 -1.38 1.06 -0.11 0.00 0.00 0.00 173.10 173.44 3mbh s PHE 54 N -4.14 -0.39 0.68 1.90 -0.71 -1.26 -4.91 117.98 109.16 3mbh s PHE 54 Ca 0.36 0.83 -0.11 0.00 -1.04 0.00 0.00 56.93 56.97 3mbh s PHE 54 Cb 0.07 0.41 0.00 0.00 -1.21 0.00 0.00 43.02 42.29 3mbh s PHE 54 CO 0.10 -0.26 1.06 -1.54 -1.34 0.00 0.00 175.22 173.24 3mbh s SER 55 N -0.40 5.47 -0.22 1.98 1.04 -1.26 -4.91 113.70 115.38 3mbh s SER 55 Ca 0.01 1.62 -0.14 0.00 0.48 0.00 0.00 55.95 57.92 3mbh s SER 55 Cb -0.03 -2.50 0.07 0.00 0.10 0.00 0.00 66.02 63.66 3mbh s SER 55 CO -0.04 -1.39 0.56 0.12 0.98 0.00 0.00 173.24 173.48 3mbh s PHE 56 N -3.01 -0.81 -0.16 5.02 5.36 -1.26 -3.15 117.98 119.97 3mbh s PHE 56 Ca 0.58 1.69 -0.01 0.00 -0.96 0.00 0.00 56.93 58.23 3mbh s PHE 56 Cb -0.14 0.42 0.05 0.00 -0.34 0.00 0.00 43.02 43.00 3mbh s PHE 56 CO 0.54 -0.42 -0.01 -1.17 -1.46 0.00 0.00 175.22 172.70 3mbh s LEU 57 N 1.32 1.30 -0.04 6.12 2.96 -0.23 -4.99 118.68 125.11 3mbh s LEU 57 Ca -0.08 -0.63 -0.30 0.00 -0.22 0.00 0.00 54.13 52.90 3mbh s LEU 57 Cb -0.06 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 3mbh s LEU 57 CO -0.14 -0.23 1.30 -0.62 -1.32 0.00 0.00 176.35 175.34 3mbh s ASP 58 N 1.77 6.95 -0.26 3.68 -1.08 -1.26 -1.79 116.67 124.68 3mbh s ASP 58 Ca 0.01 1.93 0.13 0.00 -0.52 0.00 0.00 52.55 54.10 3mbh s ASP 58 Cb -0.15 -2.56 0.79 0.00 -1.46 0.00 0.00 42.92 39.54 3mbh s ASP 58 CO -0.07 -0.66 1.75 0.18 0.52 0.00 0.00 175.17 176.89 3mbh n LEU 59 N 5.46 5.74 -0.21 -1.34 4.77 -0.78 -4.64 117.00 126.00 3mbh n LEU 59 Ca 0.12 -3.01 0.00 0.00 -0.03 0.00 0.00 56.01 53.09 3mbh n LEU 59 Cb 0.45 -0.69 0.11 0.00 -2.33 0.00 0.00 43.42 40.96 3mbh n LEU 59 CO 0.57 0.68 0.98 0.74 -1.33 0.00 0.00 177.39 179.03 3mbh h THR 60 N 3.58 0.75 0.00 -5.08 2.02 -1.92 -1.72 112.91 110.55 3mbh h THR 60 Ca 0.06 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 3mbh h THR 60 Cb 2.04 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 3mbh h THR 60 CO 0.54 0.07 -0.40 0.44 0.37 0.00 0.00 175.52 176.54 3mbh h ASP 61 N 0.40 0.00 -0.10 4.18 3.32 -1.97 -3.38 116.42 118.86 3mbh h ASP 61 Ca 0.32 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.18 3mbh h ASP 61 Cb 0.40 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.88 3mbh h ASP 61 CO -0.32 0.40 -0.24 1.21 -1.72 0.00 0.00 179.24 178.56 3mbh n GLU 62 N -3.76 1.87 0.00 3.56 4.07 -0.65 -4.40 120.64 121.33 3mbh n GLU 62 Ca -0.01 -0.97 0.00 0.00 -0.06 0.00 0.00 57.16 56.12 3mbh n GLU 62 Cb 0.47 -1.84 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 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 2.15 0.00 -0.10 5.31 -0.02 -1.26 -1.94 135.00 139.14 3mbh n PRO 64 Ca 0.36 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.70 3mbh n PRO 64 Cb 0.81 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.25 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 0.83 -0.15 -0.52 1.57 -1.93 -1.46 116.57 114.90 3mbh h LYS 65 Ca 0.00 -0.46 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 3mbh h LYS 65 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3mbh h LYS 65 CO 0.00 1.10 0.04 0.82 -0.57 0.00 0.00 179.45 180.83 3mbh h ILE 66 N 0.60 1.20 -0.78 1.86 2.04 -1.76 -2.95 117.51 117.71 3mbh h ILE 66 Ca 0.04 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.33 3mbh h ILE 66 Cb 0.98 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 3mbh h ILE 66 CO 0.09 0.19 0.48 0.40 0.00 0.00 0.00 178.15 179.31 3mbh h ILE 67 N 0.04 1.06 -0.22 -0.67 2.04 -1.83 -0.94 117.51 116.98 3mbh h ILE 67 Ca 0.05 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 3mbh h ILE 67 Cb 0.26 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3mbh h ILE 67 CO 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 178.15 178.21 3mbh h ALA 68 N 1.36 1.42 -0.20 1.87 0.00 -1.21 -0.37 119.26 122.12 3mbh h ALA 68 Ca 0.33 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3mbh h ALA 68 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3mbh h ALA 68 CO -0.15 0.40 -0.37 0.93 0.00 0.00 0.00 179.25 180.06 3mbh h GLU 69 N 0.33 0.61 -0.58 0.00 4.39 -1.19 -1.91 114.58 116.24 3mbh h GLU 69 Ca 0.07 -0.39 0.04 0.00 0.34 0.00 0.00 59.36 59.42 3mbh h GLU 69 Cb 0.39 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 3mbh h GLU 69 CO 0.02 1.00 0.38 -1.49 -1.16 0.00 0.00 179.01 177.77 3mbh h TRP 70 N 0.30 0.62 -0.22 4.33 6.55 -0.45 0.17 115.95 127.26 3mbh h TRP 70 Ca 0.01 0.02 -0.03 0.00 0.95 0.00 0.00 58.89 59.84 3mbh h TRP 70 Cb 0.97 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 29.05 3mbh h TRP 70 CO 0.09 0.35 0.01 0.87 -1.05 0.00 0.00 178.44 178.71 3mbh h LYS 71 N 0.64 0.37 -0.75 0.49 1.57 -0.99 -1.43 116.57 116.47 3mbh h LYS 71 Ca 0.24 -0.11 0.12 0.00 -1.87 0.00 0.00 60.65 59.02 3mbh h LYS 71 Cb 0.15 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 3mbh h LYS 71 CO -0.07 0.55 0.35 0.87 -0.57 0.00 0.00 179.45 180.58 3mbh h LYS 72 N 0.15 0.53 0.00 3.15 1.57 -0.36 -1.15 116.57 120.47 3mbh h LYS 72 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3mbh h LYS 72 Cb 0.37 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3mbh h LYS 72 CO 0.01 0.35 0.00 -0.07 -0.57 0.00 0.00 179.45 179.17 3mbh h LEU 73 N 0.55 0.00 -0.63 2.94 3.38 -0.52 -3.47 115.31 117.56 3mbh h LEU 73 Ca 0.39 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.07 3mbh h LEU 73 Cb 0.50 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.34 3mbh h LEU 73 CO -0.33 0.00 -0.48 -0.62 0.09 0.00 0.00 178.44 177.10 3mbh n GLU 74 N -2.58 -5.31 -2.38 1.13 1.02 -0.44 -4.98 120.64 107.10 3mbh n GLU 74 Ca 0.03 0.60 -0.41 0.00 -0.02 0.00 0.00 57.16 57.37 3mbh n GLU 74 Cb 0.35 -4.93 -0.04 0.00 -0.02 0.00 0.00 31.44 26.80 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 -3.19 3.35 -0.08 2.62 0.11 -1.04 -5.04 120.40 117.14 3mbh s VAL 75 Ca 0.38 1.30 0.05 0.00 -2.93 0.00 0.00 61.98 60.78 3mbh s VAL 75 Cb -0.17 -3.83 -0.00 0.00 -1.53 0.00 0.00 36.38 30.85 3mbh s VAL 75 CO 0.47 0.28 -0.23 -1.10 -3.33 0.00 0.00 175.10 171.20 3mbh s GLN 76 N -1.19 2.72 -0.09 1.54 -0.21 -1.26 -4.94 119.66 116.22 3mbh s GLN 76 Ca 0.48 -0.85 -0.02 0.00 0.02 0.00 0.00 55.36 54.99 3mbh s GLN 76 Cb -0.34 -2.15 -0.03 0.00 1.00 0.00 0.00 33.01 31.49 3mbh s GLN 76 CO 0.42 0.25 -0.00 -0.06 -2.12 0.00 0.00 175.29 173.77 3mbh s PHE 77 N 0.16 3.14 -0.50 0.91 0.08 -1.26 -4.75 117.98 115.76 3mbh s PHE 77 Ca -0.12 0.14 0.24 0.00 0.12 0.00 0.00 56.93 57.30 3mbh s PHE 77 Cb -0.16 -1.81 0.42 0.00 -0.57 0.00 0.00 43.02 40.90 3mbh s PHE 77 CO 0.06 0.41 1.58 -0.44 -0.10 0.00 0.00 175.22 176.74 3mbh h ASP 78 N 5.34 0.00 -5.00 1.36 3.32 -0.99 -3.44 116.42 117.01 3mbh h ASP 78 Ca -0.49 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.48 3mbh h ASP 78 Cb 1.19 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.55 3mbh h ASP 78 CO 0.55 0.01 0.06 0.00 -1.72 0.00 0.00 179.24 178.14 3mbh s ALA 79 N -3.20 -1.47 -0.09 3.45 0.00 -1.09 -2.33 121.76 117.03 3mbh s ALA 79 Ca 0.07 0.98 0.04 0.00 0.00 0.00 0.00 51.96 53.04 3mbh s ALA 79 Cb 0.08 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.28 3mbh s ALA 79 CO 0.67 -0.37 -0.23 0.42 0.00 0.00 0.00 175.76 176.26 3mbh s ILE 80 N -1.41 1.94 -0.20 0.00 1.01 -0.58 -0.52 121.20 121.44 3mbh s ILE 80 Ca -0.11 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 3mbh s ILE 80 Cb -0.01 -1.69 0.06 0.00 0.01 0.00 0.00 42.46 40.83 3mbh s ILE 80 CO 0.07 0.53 -0.01 -0.47 0.00 0.00 0.00 174.94 175.07 3mbh s TYR 81 N 0.37 1.58 0.08 3.97 5.04 -0.43 -0.48 117.35 127.49 3mbh s TYR 81 Ca -0.18 -1.19 0.02 0.00 -2.44 0.00 0.00 57.07 53.28 3mbh s TYR 81 Cb -0.18 -1.25 -0.04 0.00 0.35 0.00 0.00 41.96 40.84 3mbh s TYR 81 CO 0.08 -0.66 0.13 0.95 -1.34 0.00 0.00 175.55 174.71 3mbh s THR 82 N 1.67 4.85 0.00 4.34 -4.23 0.22 -0.97 115.64 121.51 3mbh s THR 82 Ca -0.02 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 3mbh s THR 82 Cb -0.17 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.30 3mbh s THR 82 CO -0.07 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 3mbh n GLY 83 N 0.33 4.43 3.68 3.99 0.00 0.20 -1.15 105.19 116.66 3mbh n GLY 83 Ca -0.07 -0.52 -0.47 0.00 0.00 0.00 0.00 46.02 44.96 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 2.36 -4.12 1.61 4.19 -1.26 -4.53 117.16 115.40 3mbh n TYR 84 Ca 0.00 -0.04 -0.30 0.00 3.31 0.00 0.00 57.90 60.87 3mbh n TYR 84 Cb 0.00 -2.68 -0.08 0.00 0.49 0.00 0.00 39.34 37.07 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 3.90 3.49 0.23 2.98 1.43 -1.26 -3.29 118.68 126.17 3mbh s LEU 85 Ca 0.91 -0.17 0.24 0.00 -1.03 0.00 0.00 54.13 54.08 3mbh s LEU 85 Cb -0.65 -2.22 0.37 0.00 0.03 0.00 0.00 46.19 43.72 3mbh s LEU 85 CO 0.49 0.17 1.43 1.23 0.23 0.00 0.00 176.35 179.90 3mbh h GLY 86 N 3.36 0.00 -3.36 -3.19 0.00 -1.95 -3.47 103.07 94.46 3mbh h GLY 86 Ca -0.48 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3mbh h GLY 86 CO 0.60 0.00 0.24 -1.35 0.00 0.00 0.00 176.54 176.03 3mbh s SER 87 N -5.02 -0.57 0.64 0.19 1.04 -1.26 -4.88 113.70 103.84 3mbh s SER 87 Ca 0.06 0.21 0.38 0.00 0.48 0.00 0.00 55.95 57.08 3mbh s SER 87 Cb 0.10 0.55 2.16 0.00 0.10 0.00 0.00 66.02 68.93 3mbh s SER 87 CO 0.70 -0.82 2.31 -0.65 0.98 0.00 0.00 173.24 175.76 3mbh h PRO 88 N 2.30 0.00 0.00 4.02 0.11 -1.91 -1.97 132.00 134.54 3mbh h PRO 88 Ca -0.30 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 3mbh h PRO 88 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3mbh h PRO 88 CO 0.37 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.15 3mbh h ARG 89 N 0.00 0.00 0.00 1.05 3.08 -1.96 -2.91 114.38 113.64 3mbh h ARG 89 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3mbh h ARG 89 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 3mbh h ARG 89 CO -0.00 0.02 -0.11 1.96 -1.07 0.00 0.00 179.97 180.77 3mbh h GLN 90 N 0.00 0.00 -0.38 0.04 4.20 -1.75 -3.27 115.11 113.95 3mbh h GLN 90 Ca -0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 3mbh h GLN 90 Cb 0.33 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 3mbh h GLN 90 CO 0.00 0.11 0.18 0.82 -0.67 0.00 0.00 178.83 179.27 3mbh h ILE 91 N 0.00 0.97 -0.93 2.54 5.03 -1.70 0.03 117.51 123.45 3mbh h ILE 91 Ca -0.00 -0.13 0.03 0.00 -0.12 0.00 0.00 64.86 64.64 3mbh h ILE 91 Cb 0.56 0.56 -0.05 0.00 -3.03 0.00 0.00 36.82 34.86 3mbh h ILE 91 CO 0.01 0.07 0.61 -0.61 -0.68 0.00 0.00 178.15 177.55 3mbh h GLN 92 N 0.37 1.16 0.37 2.37 5.75 -1.80 0.10 115.11 123.43 3mbh h GLN 92 Ca 0.16 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 3mbh h GLN 92 Cb 0.08 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 28.37 3mbh h GLN 92 CO -0.12 0.77 -0.18 0.82 -2.65 0.00 0.00 178.83 177.47 3mbh h ILE 93 N 1.20 0.65 -0.80 2.39 2.04 -1.46 -1.26 117.51 120.27 3mbh h ILE 93 Ca 0.36 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 66.05 3mbh h ILE 93 Cb -0.04 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3mbh h ILE 93 CO -0.11 0.03 0.38 0.58 0.00 0.00 0.00 178.15 179.03 3mbh h VAL 94 N -0.57 1.25 -0.44 1.67 2.07 -0.88 0.51 116.25 119.86 3mbh h VAL 94 Ca -0.05 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3mbh h VAL 94 Cb 0.43 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3mbh h VAL 94 CO 0.08 0.31 0.25 -1.28 0.02 0.00 0.00 177.57 176.95 3mbh h SER 95 N 1.14 0.55 -0.57 0.57 0.87 -0.70 0.80 113.55 116.20 3mbh h SER 95 Ca 0.27 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 3mbh h SER 95 Cb 0.13 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3mbh h SER 95 CO -0.03 0.47 0.16 0.44 -0.53 0.00 0.00 176.83 177.34 3mbh h ASP 96 N 0.58 0.87 -0.22 6.23 3.32 -0.95 -0.29 116.42 125.96 3mbh h ASP 96 Ca 0.16 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3mbh h ASP 96 Cb 0.04 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3mbh h ASP 96 CO -0.03 0.84 0.11 0.15 -1.72 0.00 0.00 179.24 178.59 3mbh h PHE 97 N 0.90 0.32 -0.67 4.55 3.57 -0.43 0.14 116.94 125.32 3mbh h PHE 97 Ca 0.20 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3mbh h PHE 97 Cb 0.30 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 3mbh h PHE 97 CO 0.02 0.31 0.39 0.82 -2.23 0.00 0.00 178.31 177.63 3mbh h ILE 98 N 0.23 1.20 -0.83 1.41 2.04 -0.67 -0.75 117.51 120.13 3mbh h ILE 98 Ca 0.08 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3mbh h ILE 98 Cb 0.12 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 3mbh h ILE 98 CO -0.01 0.21 0.41 0.50 0.00 0.00 0.00 178.15 179.26 3mbh h LYS 99 N 0.92 1.19 0.00 2.37 3.64 -0.76 -1.32 116.57 122.61 3mbh h LYS 99 Ca 0.24 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3mbh h LYS 99 Cb -0.01 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3mbh h LYS 99 CO -0.04 0.91 -0.73 -0.44 -2.27 0.00 0.00 179.45 176.88 3mbh h ASP 100 N 1.18 0.00 0.00 4.20 3.32 -0.60 -3.37 116.42 121.15 3mbh h ASP 100 Ca 0.29 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3mbh h ASP 100 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3mbh h ASP 100 CO -0.04 0.05 -0.63 0.49 -1.72 0.00 0.00 179.24 177.40 3mbh n PHE 101 N -2.44 0.00 -2.02 4.55 3.01 -0.32 -5.01 117.46 115.22 3mbh n PHE 101 Ca 0.02 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.09 3mbh n PHE 101 Cb 0.49 -0.05 0.01 0.00 -0.01 0.00 0.00 39.48 39.92 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 -1.87 3.67 0.44 -1.08 1.70 -0.50 -4.61 118.95 116.71 3mbh s ARG 102 Ca 0.01 2.09 0.06 0.00 -0.47 0.00 0.00 55.73 57.42 3mbh s ARG 102 Cb 0.04 -2.52 -0.03 0.00 -0.57 0.00 0.00 34.95 31.87 3mbh s ARG 102 CO 0.25 -0.71 0.20 -0.65 -1.08 0.00 0.00 175.30 173.31 3mbh s GLN 103 N -2.55 2.24 0.30 3.89 -0.21 -1.26 -4.99 119.66 117.08 3mbh s GLN 103 Ca 0.63 -1.91 -0.01 0.00 0.02 0.00 0.00 55.36 54.09 3mbh s GLN 103 Cb -0.36 -1.97 0.47 0.00 1.00 0.00 0.00 33.01 32.14 3mbh s GLN 103 CO 0.45 -0.22 1.94 -1.35 -2.12 0.00 0.00 175.29 174.00 3mbh h PRO 104 N 1.30 0.98 -0.74 2.91 0.11 -2.00 -1.34 132.00 133.23 3mbh h PRO 104 Ca -0.42 -0.09 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3mbh h PRO 104 Cb 1.27 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3mbh h PRO 104 CO 0.68 0.70 0.04 -0.25 -0.21 0.00 0.00 178.00 178.96 3mbh n ASP 105 N -4.38 4.21 -4.79 -2.05 9.92 -1.26 -4.99 116.55 113.20 3mbh n ASP 105 Ca 0.07 -2.68 -0.34 0.00 -0.53 0.00 0.00 54.79 51.31 3mbh n ASP 105 Cb 0.08 -0.64 -0.02 0.00 -0.64 0.00 0.00 41.12 39.90 3mbh n ASP 105 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3mbh s SER 106 N -0.54 6.11 -0.25 -2.24 0.01 -0.51 -4.99 113.70 111.31 3mbh s SER 106 Ca 0.38 1.95 -0.08 0.00 1.31 0.00 0.00 55.95 59.51 3mbh s SER 106 Cb 0.29 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 3mbh s SER 106 CO 0.11 -0.94 0.09 -0.22 0.41 0.00 0.00 173.24 172.68 3mbh s LEU 107 N -3.74 3.57 -0.24 2.44 2.96 -0.98 -4.92 118.68 117.76 3mbh s LEU 107 Ca 0.68 -0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 54.39 3mbh s LEU 107 Cb -0.18 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 3mbh s LEU 107 CO 0.24 -0.01 0.02 -0.63 -1.32 0.00 0.00 176.35 174.65 3mbh s ILE 108 N 1.49 3.80 -0.13 6.68 -1.09 -1.26 -1.53 121.20 129.16 3mbh s ILE 108 Ca 0.06 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.09 3mbh s ILE 108 Cb -0.15 -2.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.95 3mbh s ILE 108 CO 0.05 0.34 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.20 3mbh s VAL 109 N 1.53 2.32 -0.25 2.92 1.01 0.37 -0.24 120.40 128.06 3mbh s VAL 109 Ca 0.05 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3mbh s VAL 109 Cb -0.15 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.36 3mbh s VAL 109 CO 0.00 0.54 -0.05 0.00 0.00 0.00 0.00 175.10 175.59 3mbh s ALA 110 N 0.60 2.07 -0.47 5.51 0.00 -0.53 -0.61 121.76 128.32 3mbh s ALA 110 Ca -0.11 -1.47 -0.28 0.00 0.00 0.00 0.00 51.96 50.10 3mbh s ALA 110 Cb -0.16 -1.48 0.03 0.00 0.00 0.00 0.00 23.12 21.50 3mbh s ALA 110 CO 0.03 -1.23 1.07 0.34 0.00 0.00 0.00 175.76 175.97 3mbh s ASP 111 N 1.34 6.59 -1.32 0.00 -1.08 -0.30 -2.90 116.67 119.00 3mbh s ASP 111 Ca -0.05 0.36 -0.16 0.00 -0.52 0.00 0.00 52.55 52.18 3mbh s ASP 111 Cb -0.19 -2.52 0.01 0.00 -1.46 0.00 0.00 42.92 38.76 3mbh s ASP 111 CO -0.07 -1.18 2.09 -0.81 0.52 0.00 0.00 175.17 175.72 3mbh n PRO 112 N 7.61 2.66 -2.06 4.34 -0.04 -1.26 -4.16 135.00 142.09 3mbh n PRO 112 Ca 0.10 -2.60 -0.43 0.00 -0.04 0.00 0.00 63.50 60.53 3mbh n PRO 112 Cb 0.49 -3.29 -0.03 0.00 -0.04 0.00 0.00 33.50 30.64 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 3.92 3.55 0.00 0.52 1.01 -1.26 -4.71 120.40 123.43 3mbh s VAL 113 Ca 0.50 0.55 0.00 0.00 0.00 0.00 0.00 61.98 63.04 3mbh s VAL 113 Cb 0.12 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3mbh s VAL 113 CO -0.02 -0.49 0.00 0.18 0.00 0.00 0.00 175.10 174.77 3mbh n LEU 114 N 10.08 0.92 0.00 3.92 4.77 -1.26 -4.79 117.00 130.64 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 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 3mbh n GLY 115 N 2.19 -0.63 0.00 -0.72 0.00 -1.26 -1.13 105.19 103.64 3mbh n GLY 115 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3mbh n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mbh n ASP 116 N 0.08 0.00 -1.69 1.61 -0.08 -0.80 -4.62 116.55 111.05 3mbh n ASP 116 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 3mbh n ASP 116 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 3mbh n ASP 116 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3mbh n ASN 117 N 0.00 -3.42 0.00 1.67 4.13 -1.26 -2.15 115.26 114.24 3mbh n ASN 117 Ca 0.00 0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.53 3mbh n ASN 117 Cb 0.00 -3.12 0.00 0.00 -1.54 0.00 0.00 39.78 35.12 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 -0.40 0.80 3.24 7.41 0.00 -1.26 -5.04 105.19 109.93 3mbh n GLY 118 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.35 1.00 0.74 1.61 1.70 -0.91 -5.02 118.95 117.72 3mbh s ARG 119 Ca 0.00 -1.19 -0.12 0.00 -0.47 0.00 0.00 55.73 53.95 3mbh s ARG 119 Cb 0.00 -0.95 0.04 0.00 -0.57 0.00 0.00 34.95 33.47 3mbh s ARG 119 CO 0.00 0.19 1.11 -0.51 -1.08 0.00 0.00 175.30 175.01 3mbh s LEU 120 N -2.28 3.16 0.77 -1.89 1.43 -1.26 -1.91 118.68 116.70 3mbh s LEU 120 Ca 0.07 1.95 -0.11 0.00 -1.03 0.00 0.00 54.13 55.01 3mbh s LEU 120 Cb -0.06 -4.54 0.05 0.00 0.03 0.00 0.00 46.19 41.67 3mbh s LEU 120 CO 0.03 -1.99 1.08 -0.31 0.23 0.00 0.00 176.35 175.39 3mbh s TYR 121 N -2.62 2.70 0.12 0.29 2.02 -0.28 -4.84 117.35 114.74 3mbh s TYR 121 Ca 0.64 1.46 -0.35 0.00 -0.37 0.00 0.00 57.07 58.46 3mbh s TYR 121 Cb -0.20 -3.02 -0.16 0.00 -0.40 0.00 0.00 41.96 38.18 3mbh s TYR 121 CO 0.50 -1.72 1.33 2.41 -1.57 0.00 0.00 175.55 176.50 3mbh n THR 122 N -3.46 0.24 -0.85 -0.71 -1.04 -1.26 -0.98 114.28 106.22 3mbh n THR 122 Ca 0.08 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 3mbh n THR 122 Cb 0.54 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 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 2.49 -1.99 -4.79 8.00 3.02 -1.26 -4.99 115.26 115.74 3mbh n ASN 123 Ca 0.17 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.35 3mbh n ASN 123 Cb 0.22 -1.67 -0.06 0.00 -0.61 0.00 0.00 39.78 37.66 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 -1.99 3.76 0.00 3.10 0.40 -0.16 -5.12 117.98 117.97 3mbh s PHE 124 Ca 0.00 1.61 0.00 0.00 -0.60 0.00 0.00 56.93 57.94 3mbh s PHE 124 Cb 0.00 -2.77 0.00 0.00 0.51 0.00 0.00 43.02 40.76 3mbh s PHE 124 CO 0.00 0.36 0.00 -0.40 0.70 0.00 0.00 175.22 175.88 3mbh n ASP 125 N 0.99 0.00 -1.06 1.36 5.75 -1.26 -4.79 116.55 117.54 3mbh n ASP 125 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.71 3mbh n ASP 125 Cb 0.50 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.57 3mbh n ASP 125 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3mbh n GLU 127 N 0.00 -1.17 0.00 0.11 2.13 -1.26 -4.77 120.64 115.69 3mbh n GLU 127 Ca 0.00 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.09 3mbh n GLU 127 Cb 0.00 -4.28 0.00 0.00 0.27 0.00 0.00 31.44 27.43 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 -1.25 0.00 -0.12 6.31 0.31 -1.26 -1.72 118.33 120.59 3mbh n VAL 129 Ca -0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.20 3mbh n VAL 129 Cb 0.15 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.06 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 -0.26 -1.91 5.55 1.57 -1.92 -1.86 116.57 117.73 3mbh h LYS 130 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3mbh h LYS 130 Cb 0.00 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3mbh h LYS 130 CO 0.00 -0.18 0.00 0.39 -0.57 0.00 0.00 179.45 179.09 3mbh n GLU 131 N -5.42 0.16 0.00 3.15 -0.58 -0.70 -3.41 120.64 113.83 3mbh n GLU 131 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3mbh n GLU 131 Cb 0.34 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 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 1.34 0.00 -0.03 3.49 1.74 -0.70 -1.65 116.66 120.86 3mbh n ARG 133 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 3mbh n ARG 133 Cb 0.08 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.44 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 0.81 -0.98 -1.55 2.76 -1.85 -3.33 115.15 111.00 3mbh h HIS 134 Ca 0.00 -0.36 0.01 0.00 -2.20 0.00 0.00 60.37 57.82 3mbh h HIS 134 Cb 0.00 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 28.79 3mbh h HIS 134 CO 0.00 1.15 0.64 1.25 -1.30 0.00 0.00 177.93 179.67 3mbh h LEU 135 N 0.23 1.13 -2.16 0.26 5.85 -1.65 -2.12 115.31 116.86 3mbh h LEU 135 Ca -0.04 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3mbh h LEU 135 Cb 1.23 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3mbh h LEU 135 CO 0.12 0.83 -0.05 0.16 -0.34 0.00 0.00 178.44 179.16 3mbh h ILE 136 N 1.33 0.24 0.00 4.05 3.07 -1.86 0.13 117.51 124.47 3mbh h ILE 136 Ca 0.36 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 66.43 3mbh h ILE 136 Cb -0.14 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 37.68 3mbh h ILE 136 CO -0.08 0.05 0.00 0.71 -1.05 0.00 0.00 178.15 177.78 3mbh h THR 137 N 0.00 0.00 0.00 0.16 1.35 -1.50 -2.81 112.91 110.11 3mbh h THR 137 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3mbh h THR 137 Cb 0.26 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 3mbh h THR 137 CO 0.01 0.00 -0.93 0.29 -0.25 0.00 0.00 175.52 174.64 3mbh n LYS 138 N -2.47 0.30 -3.38 4.72 4.76 0.44 -4.66 118.16 117.86 3mbh n LYS 138 Ca -0.01 0.02 -0.29 0.00 -2.87 0.00 0.00 58.31 55.16 3mbh n LYS 138 Cb 0.10 -1.62 -0.04 0.00 -1.84 0.00 0.00 35.03 31.64 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 -3.19 3.63 -0.07 7.82 0.00 -1.06 -4.93 121.76 123.96 3mbh s ALA 139 Ca 0.04 -0.53 0.14 0.00 0.00 0.00 0.00 51.96 51.61 3mbh s ALA 139 Cb 0.14 -2.30 -0.19 0.00 0.00 0.00 0.00 23.12 20.77 3mbh s ALA 139 CO 0.78 0.31 0.77 -0.44 0.00 0.00 0.00 175.76 177.19 3mbh h ASP 140 N 1.89 0.00 -3.39 0.00 3.32 -0.94 -3.14 116.42 114.17 3mbh h ASP 140 Ca -0.47 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.20 3mbh h ASP 140 Cb 1.19 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.37 3mbh h ASP 140 CO 0.67 0.84 -0.75 -0.69 -1.72 0.00 0.00 179.24 177.59 3mbh s VAL 141 N -2.73 0.15 0.12 -1.35 1.01 -0.93 -1.50 120.40 115.16 3mbh s VAL 141 Ca -0.04 0.19 0.09 0.00 0.00 0.00 0.00 61.98 62.22 3mbh s VAL 141 Cb 0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 3mbh s VAL 141 CO 0.82 0.18 -0.22 0.27 0.00 0.00 0.00 175.10 176.15 3mbh s ILE 142 N 1.56 1.82 -0.41 2.22 -4.36 -0.52 -1.46 121.20 120.06 3mbh s ILE 142 Ca -0.02 -1.63 0.11 0.00 -0.26 0.00 0.00 60.65 58.85 3mbh s ILE 142 Cb -0.13 -1.66 0.40 0.00 1.25 0.00 0.00 42.46 42.32 3mbh s ILE 142 CO -0.03 -0.07 0.92 0.35 0.24 0.00 0.00 174.94 176.35 3mbh n THR 143 N 0.95 1.32 -1.93 8.37 -2.24 -1.14 -1.15 114.28 118.46 3mbh n THR 143 Ca -0.18 -4.34 -0.41 0.00 -2.27 0.00 0.00 64.05 56.85 3mbh n THR 143 Cb 0.54 -0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 68.39 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 4.21 1.04 -0.78 0.04 -1.03 -4.65 135.00 130.76 3mbh s PRO 144 Ca 0.39 2.42 -0.15 0.00 0.04 0.00 0.00 61.00 63.70 3mbh s PRO 144 Cb 0.38 -3.03 0.21 0.00 0.04 0.00 0.00 34.50 32.11 3mbh s PRO 144 CO -0.07 -0.43 1.15 0.54 0.04 0.00 0.00 177.00 178.22 3mbh s ASN 145 N -0.07 2.32 0.21 6.66 2.20 -1.26 -0.83 114.94 124.16 3mbh s ASN 145 Ca 0.54 0.78 -0.10 0.00 -0.94 0.00 0.00 52.86 53.15 3mbh s ASN 145 Cb -0.44 -1.18 0.18 0.00 -2.00 0.00 0.00 41.25 37.81 3mbh s ASN 145 CO 0.55 -3.27 1.88 0.25 -2.94 0.00 0.00 177.10 173.56 3mbh h LEU 146 N -2.00 0.85 -0.41 3.54 5.85 -1.45 0.61 115.31 122.30 3mbh h LEU 146 Ca -0.49 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.26 3mbh h LEU 146 Cb 1.30 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 3mbh h LEU 146 CO 0.48 0.61 0.16 0.74 -0.34 0.00 0.00 178.44 180.08 3mbh h THR 147 N 1.00 0.90 -0.44 1.05 2.02 -1.89 -2.37 112.91 113.19 3mbh h THR 147 Ca 0.29 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 3mbh h THR 147 Cb -0.08 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 3mbh h THR 147 CO -0.08 0.06 -0.02 -0.33 0.37 0.00 0.00 175.52 175.52 3mbh h GLU 148 N 0.33 0.73 -0.51 6.66 5.08 -1.70 -2.32 114.58 122.85 3mbh h GLU 148 Ca 0.19 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3mbh h GLU 148 Cb 0.15 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3mbh h GLU 148 CO -0.18 0.75 0.30 1.25 -1.00 0.00 0.00 179.01 180.14 3mbh h LEU 149 N 0.68 0.48 -0.29 1.33 5.85 -0.37 0.76 115.31 123.74 3mbh h LEU 149 Ca 0.13 0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.66 3mbh h LEU 149 Cb 0.45 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3mbh h LEU 149 CO 0.02 0.34 -0.64 -0.26 -0.34 0.00 0.00 178.44 177.55 3mbh h PHE 150 N 0.59 1.00 -0.83 1.25 0.04 -1.25 -1.25 116.94 116.50 3mbh h PHE 150 Ca 0.21 -0.39 -0.00 0.00 2.80 0.00 0.00 57.97 60.59 3mbh h PHE 150 Cb 0.04 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 37.97 3mbh h PHE 150 CO -0.07 1.21 0.52 1.88 -0.60 0.00 0.00 178.31 181.24 3mbh h TYR 151 N 0.57 1.07 -0.47 -0.55 0.05 -1.22 -0.95 116.97 115.47 3mbh h TYR 151 Ca -0.01 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3mbh h TYR 151 Cb 1.25 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 38.61 3mbh h TYR 151 CO 0.07 0.70 0.25 -0.07 -1.05 0.00 0.00 178.16 178.07 3mbh h LEU 152 N 1.13 0.59 -0.17 3.88 3.38 -0.57 -2.87 115.31 120.69 3mbh h LEU 152 Ca 0.30 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3mbh h LEU 152 Cb -0.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3mbh h LEU 152 CO -0.06 0.52 -0.07 0.18 0.09 0.00 0.00 178.44 179.10 3mbh n LEU 153 N -4.67 0.34 -3.42 1.67 4.77 -0.50 -4.93 117.00 110.27 3mbh n LEU 153 Ca 0.01 0.06 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 3mbh n LEU 153 Cb 0.09 -0.19 0.08 0.00 -2.33 0.00 0.00 43.42 41.07 3mbh n LEU 153 CO 0.36 0.06 0.20 -0.67 -1.33 0.00 0.00 177.39 176.01 3mbh n ASP 154 N -1.01 -4.86 -4.38 -1.43 2.03 -0.43 -5.02 116.55 101.45 3mbh n ASP 154 Ca 0.15 -0.54 -0.21 0.00 0.52 0.00 0.00 54.79 54.71 3mbh n ASP 154 Cb 0.26 -4.87 -0.10 0.00 -0.72 0.00 0.00 41.12 35.68 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 -5.95 1.42 0.42 -0.67 0.41 -0.79 -5.06 118.70 108.48 3mbh s GLU 155 Ca 0.38 -1.58 -0.24 0.00 -0.41 0.00 0.00 54.97 53.12 3mbh s GLU 155 Cb -0.17 -1.39 -0.08 0.00 -1.78 0.00 0.00 34.13 30.71 3mbh s GLU 155 CO 0.70 0.26 1.10 -1.25 -0.49 0.00 0.00 175.26 175.58 3mbh s PRO 156 N -3.32 4.00 0.09 0.39 0.04 -1.26 -4.46 135.00 130.47 3mbh s PRO 156 Ca 0.23 1.63 -0.32 0.00 0.04 0.00 0.00 61.00 62.58 3mbh s PRO 156 Cb -0.04 -2.49 -0.11 0.00 0.04 0.00 0.00 34.50 31.90 3mbh s PRO 156 CO 0.09 -0.32 1.85 0.98 0.04 0.00 0.00 177.00 179.64 3mbh n TYR 157 N -0.23 2.54 -4.64 0.56 9.36 -1.26 -4.98 117.16 118.50 3mbh n TYR 157 Ca 0.06 -0.13 -0.28 0.00 3.32 0.00 0.00 57.90 60.87 3mbh n TYR 157 Cb 0.49 -2.72 -0.17 0.00 -0.63 0.00 0.00 39.34 36.31 3mbh n TYR 157 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3mbh s LYS 158 N 3.03 2.20 0.00 2.98 3.01 -1.26 -5.02 119.74 124.67 3mbh s LYS 158 Ca 0.84 -0.57 0.18 0.00 -1.01 0.00 0.00 55.97 55.41 3mbh s LYS 158 Cb -0.52 -1.81 0.51 0.00 -1.01 0.00 0.00 37.83 35.01 3mbh s LYS 158 CO 0.40 0.01 1.43 0.00 0.51 0.00 0.00 175.35 177.70 3mbh n ALA 159 N 3.95 2.41 -3.17 5.17 0.00 -1.26 -4.42 120.51 123.19 3mbh n ALA 159 Ca -0.20 -0.98 -0.19 0.00 0.00 0.00 0.00 53.44 52.07 3mbh n ALA 159 Cb 0.52 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 3mbh n ALA 159 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3mbh n ASP 160 N 1.16 0.54 -4.85 0.00 5.75 -1.26 -4.70 116.55 113.19 3mbh n ASP 160 Ca 0.19 -2.96 -0.32 0.00 -0.01 0.00 0.00 54.79 51.68 3mbh n ASP 160 Cb 0.48 -0.52 -0.06 0.00 -1.03 0.00 0.00 41.12 39.99 3mbh n ASP 160 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3mbh s SER 161 N -2.10 6.76 0.83 -1.12 0.01 -1.26 -5.09 113.70 111.73 3mbh s SER 161 Ca 0.38 1.23 -0.12 0.00 1.31 0.00 0.00 55.95 58.76 3mbh s SER 161 Cb 0.31 -2.35 0.09 0.00 0.21 0.00 0.00 66.02 64.27 3mbh s SER 161 CO -0.09 -0.18 1.13 0.42 0.41 0.00 0.00 173.24 174.93 3mbh s THR 162 N -1.95 2.49 0.14 1.44 -4.23 -1.26 -4.87 115.64 107.41 3mbh s THR 162 Ca 0.53 0.16 -0.14 0.00 -1.18 0.00 0.00 61.69 61.06 3mbh s THR 162 Cb -0.11 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.76 3mbh s THR 162 CO 0.18 -0.21 1.64 0.44 -0.54 0.00 0.00 174.62 176.13 3mbh h ASP 163 N -1.17 0.74 1.03 3.99 5.19 -1.99 -1.34 116.42 122.86 3mbh h ASP 163 Ca -0.48 -0.24 -0.05 0.00 -0.62 0.00 0.00 57.03 55.64 3mbh h ASP 163 Cb 1.30 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 3mbh h ASP 163 CO 0.62 0.79 -0.24 -0.08 -3.12 0.00 0.00 179.24 177.21 3mbh h GLU 164 N 0.65 0.00 -0.43 3.56 4.57 -1.99 -0.96 114.58 119.98 3mbh h GLU 164 Ca 0.15 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.22 3mbh h GLU 164 Cb 0.35 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 3mbh h GLU 164 CO 0.00 0.24 -0.17 0.93 -1.18 0.00 0.00 179.01 178.84 3mbh h GLU 165 N 0.00 0.83 -0.33 1.92 5.08 -1.83 -0.00 114.58 120.26 3mbh h GLU 165 Ca -0.00 -0.32 -0.12 0.00 -1.00 0.00 0.00 59.36 57.92 3mbh h GLU 165 Cb 0.82 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3mbh h GLU 165 CO 0.03 0.94 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.63 3mbh h LEU 166 N 0.74 0.81 -0.71 1.33 3.38 -0.60 -1.06 115.31 119.20 3mbh h LEU 166 Ca 0.11 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3mbh h LEU 166 Cb 0.69 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 3mbh h LEU 166 CO 0.05 1.10 0.44 0.11 0.09 0.00 0.00 178.44 180.23 3mbh h LYS 167 N 0.54 0.83 -0.24 1.13 1.57 -1.03 -0.10 116.57 119.26 3mbh h LYS 167 Ca 0.06 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3mbh h LYS 167 Cb 0.85 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.90 3mbh h LYS 167 CO 0.07 0.55 -0.27 0.93 -0.57 0.00 0.00 179.45 180.16 3mbh h GLU 168 N 0.85 -0.27 -0.85 3.15 5.08 -0.59 -0.83 114.58 121.12 3mbh h GLU 168 Ca 0.29 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.70 3mbh h GLU 168 Cb 0.04 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 3mbh h GLU 168 CO -0.12 -0.18 0.55 1.88 -1.00 0.00 0.00 179.01 180.13 3mbh h TYR 169 N -0.28 1.02 -0.72 4.33 0.05 -0.53 -0.64 116.97 120.20 3mbh h TYR 169 Ca 0.13 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.96 3mbh h TYR 169 Cb 0.49 -0.34 -0.04 0.00 1.01 0.00 0.00 36.73 37.85 3mbh h TYR 169 CO -0.42 0.60 0.47 -0.07 -1.05 0.00 0.00 178.16 177.68 3mbh h LEU 170 N 1.07 0.78 -0.27 3.88 3.38 -0.31 -0.54 115.31 123.30 3mbh h LEU 170 Ca 0.33 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 3mbh h LEU 170 Cb -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3mbh h LEU 170 CO -0.11 0.55 -0.01 0.03 0.09 0.00 0.00 178.44 179.00 3mbh h ARG 171 N 0.93 0.48 -0.49 1.13 3.08 -0.69 -0.72 114.38 118.10 3mbh h ARG 171 Ca 0.28 -0.16 0.04 0.00 0.07 0.00 0.00 59.98 60.22 3mbh h ARG 171 Cb -0.04 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 3mbh h ARG 171 CO -0.09 0.65 0.24 -0.07 -1.07 0.00 0.00 179.97 179.63 3mbh h LEU 172 N 0.26 0.34 -0.35 3.04 3.38 -0.69 0.99 115.31 122.29 3mbh h LEU 172 Ca 0.08 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3mbh h LEU 172 Cb 0.44 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3mbh h LEU 172 CO 0.02 0.24 -0.22 -0.07 0.09 0.00 0.00 178.44 178.50 3mbh h LEU 173 N 0.47 0.79 -1.00 1.67 3.38 -1.02 -3.02 115.31 116.59 3mbh h LEU 173 Ca 0.22 -0.43 0.09 0.00 0.09 0.00 0.00 57.88 57.85 3mbh h LEU 173 Cb 0.13 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 3mbh h LEU 173 CO -0.16 1.05 0.63 -1.28 0.09 0.00 0.00 178.44 178.77 3mbh h SER 174 N 0.54 0.98 0.33 -0.43 0.87 -0.44 -0.29 113.55 115.11 3mbh h SER 174 Ca 0.07 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3mbh h SER 174 Cb 0.77 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 3mbh h SER 174 CO 0.06 0.58 -0.01 0.44 -0.53 0.00 0.00 176.83 177.37 3mbh h ASP 175 N 1.08 0.00 0.57 6.23 3.32 -0.69 -0.88 116.42 126.05 3mbh h ASP 175 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3mbh h ASP 175 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3mbh h ASP 175 CO -0.22 0.01 -0.01 0.29 -1.72 0.00 0.00 179.24 177.58 3mbh n LYS 176 N -3.12 0.43 0.00 3.56 4.01 -0.12 -4.93 118.16 117.98 3mbh n LYS 176 Ca -0.02 -0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 3mbh n LYS 176 Cb 0.15 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.17 3mbh n LYS 176 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3mbh n GLY 177 N 1.30 1.25 3.68 0.72 0.00 -0.34 -4.36 105.19 107.44 3mbh n GLY 177 Ca 0.14 -0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 3mbh n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mbh n PRO 178 N 0.00 2.24 0.03 1.61 -0.02 -1.18 -4.90 135.00 132.78 3mbh n PRO 178 Ca 0.00 0.81 -0.02 0.00 -2.02 0.00 0.00 63.50 62.27 3mbh n PRO 178 Cb 0.00 -2.58 0.25 0.00 -0.02 0.00 0.00 33.50 31.14 3mbh n PRO 178 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3mbh h GLN 179 N 5.99 0.43 -4.95 -0.52 4.15 -1.48 -3.40 115.11 115.33 3mbh h GLN 179 Ca -0.45 -0.14 -0.61 0.00 0.77 0.00 0.00 58.65 58.22 3mbh h GLN 179 Cb 1.25 -0.04 -0.34 0.00 0.21 0.00 0.00 27.48 28.56 3mbh h GLN 179 CO 0.89 0.62 -0.85 0.08 -1.93 0.00 0.00 178.83 177.64 3mbh s VAL 180 N -4.58 1.68 -0.08 2.39 1.01 -0.62 -1.08 120.40 119.12 3mbh s VAL 180 Ca -0.07 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3mbh s VAL 180 Cb 0.14 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 35.04 3mbh s VAL 180 CO 0.78 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 175.50 3mbh s VAL 181 N 0.70 1.45 -0.10 2.92 1.01 -0.88 -1.43 120.40 124.06 3mbh s VAL 181 Ca -0.12 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.24 3mbh s VAL 181 Cb -0.16 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.93 3mbh s VAL 181 CO 0.03 0.43 -0.20 -0.63 0.00 0.00 0.00 175.10 174.72 3mbh s ILE 182 N 0.62 1.81 -0.25 2.22 1.01 -0.30 -1.51 121.20 124.80 3mbh s ILE 182 Ca -0.15 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.57 3mbh s ILE 182 Cb -0.16 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 3mbh s ILE 182 CO 0.04 0.50 0.09 -0.63 0.00 0.00 0.00 174.94 174.95 3mbh s ILE 183 N 0.59 4.49 0.35 2.92 1.01 0.14 -2.47 121.20 128.22 3mbh s ILE 183 Ca -0.14 -0.11 0.06 0.00 0.00 0.00 0.00 60.65 60.46 3mbh s ILE 183 Cb -0.17 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 3mbh s ILE 183 CO 0.04 0.33 0.49 0.42 0.00 0.00 0.00 174.94 176.22 3mbh s THR 184 N 1.62 4.01 -1.24 2.92 -4.23 -0.01 -1.51 115.64 117.20 3mbh s THR 184 Ca 0.06 -0.96 -0.06 0.00 -1.18 0.00 0.00 61.69 59.56 3mbh s THR 184 Cb -0.15 -3.39 0.01 0.00 1.34 0.00 0.00 72.50 70.30 3mbh s THR 184 CO 0.05 -0.16 0.77 -1.20 -0.54 0.00 0.00 174.62 173.54 3mbh n SER 185 N -1.68 -5.60 -4.63 3.99 7.64 -1.16 -1.42 113.62 110.76 3mbh n SER 185 Ca 0.00 -0.35 -0.42 0.00 1.01 0.00 0.00 58.87 59.11 3mbh n SER 185 Cb 0.58 -4.32 -0.05 0.00 -1.01 0.00 0.00 64.21 59.41 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 -3.18 4.81 0.83 0.44 1.01 -0.59 -4.45 120.40 119.27 3mbh s VAL 186 Ca 0.38 1.34 -0.14 0.00 0.00 0.00 0.00 61.98 63.57 3mbh s VAL 186 Cb -0.17 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.13 3mbh s VAL 186 CO 0.47 -0.17 0.86 -2.65 0.00 0.00 0.00 175.10 173.61 3mbh n PRO 187 N 6.12 0.05 -4.16 2.72 -0.02 -1.26 -0.36 135.00 138.09 3mbh n PRO 187 Ca 0.04 0.08 -0.28 0.00 -2.02 0.00 0.00 63.50 61.32 3mbh n PRO 187 Cb 0.48 -2.16 -0.08 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.18 3.89 -0.22 -1.45 1.01 -1.26 -4.73 120.40 115.46 3mbh s VAL 188 Ca 0.67 -1.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 3mbh s VAL 188 Cb -0.28 -2.90 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 3mbh s VAL 188 CO 0.57 0.02 1.20 -2.28 0.00 0.00 0.00 175.10 174.61 3mbh s HIS 189 N -1.48 2.96 0.00 5.22 2.46 -1.26 -3.62 115.29 119.57 3mbh s HIS 189 Ca 0.26 1.11 0.00 0.00 0.47 0.00 0.00 55.06 56.90 3mbh s HIS 189 Cb -0.11 -3.55 0.00 0.00 -0.13 0.00 0.00 32.58 28.80 3mbh s HIS 189 CO 0.18 -1.33 0.00 -0.25 -2.47 0.00 0.00 174.74 170.88 3mbh n ASP 190 N 6.77 -2.00 -3.56 9.88 9.92 -1.26 -4.95 116.55 131.34 3mbh n ASP 190 Ca 0.13 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 54.12 3mbh n ASP 190 Cb 0.46 -1.02 -0.11 0.00 -0.64 0.00 0.00 41.12 39.81 3mbh n ASP 190 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3mbh n GLU 191 N -1.95 0.79 0.00 -1.24 -0.58 -1.24 -4.97 120.64 111.45 3mbh n GLU 191 Ca 0.00 -3.65 0.09 0.00 -0.42 0.00 0.00 57.16 53.18 3mbh n GLU 191 Cb 0.07 -1.88 0.40 0.00 -0.57 0.00 0.00 31.44 29.46 3mbh n GLU 191 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3mbh n PRO 192 N 2.49 0.02 0.00 3.49 -0.04 -1.26 -1.24 135.00 138.46 3mbh n PRO 192 Ca 0.26 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 64.02 3mbh n PRO 192 Cb 0.43 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.48 0.01 -4.07 0.54 8.25 -1.26 -4.96 115.22 112.25 3mbh n HIS 193 Ca 0.05 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.29 3mbh n HIS 193 Cb 0.21 -0.28 -0.04 0.00 1.12 0.00 0.00 29.99 31.01 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 -3.00 3.06 0.30 -0.41 1.02 -0.38 -3.28 119.74 117.04 3mbh s LYS 194 Ca 0.11 -0.94 0.03 0.00 0.02 0.00 0.00 55.97 55.19 3mbh s LYS 194 Cb 0.17 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 3mbh s LYS 194 CO 0.69 0.43 0.14 -0.08 -0.92 0.00 0.00 175.35 175.61 3mbh s THR 195 N -2.02 0.39 0.09 2.17 -1.32 0.64 -4.03 115.64 111.57 3mbh s THR 195 Ca 0.33 -2.00 -0.03 0.00 -1.21 0.00 0.00 61.69 58.78 3mbh s THR 195 Cb -0.09 -2.54 -0.03 0.00 -1.51 0.00 0.00 72.50 68.34 3mbh s THR 195 CO 0.26 0.00 0.07 -0.94 -2.21 0.00 0.00 174.62 171.80 3mbh s SER 196 N -3.37 0.32 -0.02 8.08 1.04 0.51 -0.00 113.70 120.26 3mbh s SER 196 Ca 0.36 -0.99 0.05 0.00 0.48 0.00 0.00 55.95 55.84 3mbh s SER 196 Cb 0.06 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 3mbh s SER 196 CO 0.16 -0.69 -0.16 -0.69 0.98 0.00 0.00 173.24 172.84 3mbh s VAL 197 N -3.96 1.33 0.03 5.02 1.01 0.09 -1.54 120.40 122.37 3mbh s VAL 197 Ca 0.13 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.48 3mbh s VAL 197 Cb 0.07 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 3mbh s VAL 197 CO -0.05 0.38 -0.20 -0.31 0.00 0.00 0.00 175.10 174.91 3mbh s TYR 198 N -0.22 1.80 0.04 5.22 1.51 -0.57 -0.47 117.35 124.66 3mbh s TYR 198 Ca 0.03 -0.37 -0.09 0.00 -1.01 0.00 0.00 57.07 55.63 3mbh s TYR 198 Cb -0.08 -1.09 0.00 0.00 -0.11 0.00 0.00 41.96 40.68 3mbh s TYR 198 CO 0.00 0.06 0.17 0.00 -1.11 0.00 0.00 175.55 174.68 3mbh s ALA 199 N -0.72 -0.30 0.01 3.71 0.00 0.44 0.24 121.76 125.13 3mbh s ALA 199 Ca 0.07 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.70 3mbh s ALA 199 Cb -0.09 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 3mbh s ALA 199 CO 0.01 -0.36 -0.05 -0.47 0.00 0.00 0.00 175.76 174.89 3mbh s TYR 200 N -2.61 0.48 -0.18 0.00 5.04 -0.57 0.44 117.35 119.95 3mbh s TYR 200 Ca -0.05 -0.19 -0.00 0.00 -2.44 0.00 0.00 57.07 54.40 3mbh s TYR 200 Cb -0.01 -0.30 0.04 0.00 0.35 0.00 0.00 41.96 42.04 3mbh s TYR 200 CO -0.04 -0.03 -0.07 1.21 -1.34 0.00 0.00 175.55 175.28 3mbh s ASN 201 N -0.48 3.06 0.43 4.32 3.84 -0.26 -2.08 114.94 123.78 3mbh s ASN 201 Ca -0.01 -0.76 0.12 0.00 0.21 0.00 0.00 52.86 52.41 3mbh s ASN 201 Cb -0.04 -1.02 0.95 0.00 -0.55 0.00 0.00 41.25 40.60 3mbh s ASN 201 CO -0.00 -0.18 2.01 -0.09 -2.79 0.00 0.00 177.10 176.05 3mbh h ARG 202 N 8.07 0.17 -6.60 0.43 2.43 -1.40 -1.92 114.38 115.55 3mbh h ARG 202 Ca -0.25 -0.03 -0.55 0.00 -0.81 0.00 0.00 59.98 58.34 3mbh h ARG 202 Cb 1.11 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.55 3mbh h ARG 202 CO 0.42 0.24 0.98 -1.14 -1.51 0.00 0.00 179.97 178.96 3mbh s GLN 203 N -4.88 3.55 0.00 0.20 2.00 -1.26 -2.34 119.66 116.92 3mbh s GLN 203 Ca -0.05 0.33 0.00 0.00 -2.00 0.00 0.00 55.36 53.63 3mbh s GLN 203 Cb 0.16 -4.00 0.00 0.00 0.80 0.00 0.00 33.01 29.97 3mbh s GLN 203 CO 0.71 -1.64 0.00 0.41 -0.50 0.00 0.00 175.29 174.27 3mbh n GLY 204 N 5.03 0.83 3.87 2.59 0.00 -1.26 -4.58 105.19 111.67 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 -2.83 -4.71 1.61 5.15 -0.79 -4.96 115.26 108.73 3mbh n ASN 205 Ca 0.00 -0.84 -0.32 0.00 -0.60 0.00 0.00 54.58 52.81 3mbh n ASN 205 Cb 0.00 -3.74 -0.08 0.00 -0.53 0.00 0.00 39.78 35.43 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 -6.42 2.82 -0.06 1.20 0.52 -0.82 -4.94 118.95 111.26 3mbh s ARG 206 Ca 0.36 -0.61 0.03 0.00 -0.52 0.00 0.00 55.73 54.98 3mbh s ARG 206 Cb -0.18 -2.70 -0.02 0.00 0.52 0.00 0.00 34.95 32.57 3mbh s ARG 206 CO 0.84 0.62 -0.14 0.71 0.02 0.00 0.00 175.30 177.34 3mbh s TYR 207 N -1.15 2.71 0.14 -0.53 1.51 -1.26 -1.10 117.35 117.67 3mbh s TYR 207 Ca 0.21 -0.23 0.08 0.00 -1.01 0.00 0.00 57.07 56.13 3mbh s TYR 207 Cb -0.12 -1.65 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 3mbh s TYR 207 CO 0.13 0.13 -0.19 -1.58 -1.11 0.00 0.00 175.55 172.92 3mbh s TRP 208 N -0.59 1.81 -0.01 2.71 0.52 0.17 -0.34 118.94 123.21 3mbh s TRP 208 Ca 0.08 -0.45 0.01 0.00 0.02 0.00 0.00 56.10 55.77 3mbh s TRP 208 Cb -0.11 -0.94 0.00 0.00 -1.15 0.00 0.00 33.47 31.27 3mbh s TRP 208 CO 0.01 0.28 -0.02 0.21 0.02 0.00 0.00 176.95 177.45 3mbh s LYS 209 N -2.41 0.19 0.03 4.98 2.20 0.10 -0.42 119.74 124.41 3mbh s LYS 209 Ca 0.12 -0.05 0.04 0.00 -0.36 0.00 0.00 55.97 55.72 3mbh s LYS 209 Cb -0.08 -0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.00 3mbh s LYS 209 CO 0.06 0.01 -0.13 0.54 -0.36 0.00 0.00 175.35 175.47 3mbh s VAL 210 N 0.14 1.05 -0.15 4.02 0.11 0.38 -1.20 120.40 124.75 3mbh s VAL 210 Ca -0.01 -0.87 -0.05 0.00 -2.93 0.00 0.00 61.98 58.11 3mbh s VAL 210 Cb -0.03 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 3mbh s VAL 210 CO -0.00 0.06 0.03 -0.89 -3.33 0.00 0.00 175.10 170.97 3mbh s THR 211 N -0.71 4.53 -0.08 5.04 2.01 -1.26 -0.74 115.64 124.43 3mbh s THR 211 Ca 0.02 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 61.92 3mbh s THR 211 Cb -0.07 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.44 3mbh s THR 211 CO 0.01 0.51 -0.20 0.00 -0.69 0.00 0.00 174.62 174.25 3mbh n PRO 213 N 3.50 4.25 -3.65 0.00 -0.04 -1.26 -0.26 135.00 137.54 3mbh n PRO 213 Ca -0.20 -3.25 -0.09 0.00 -0.04 0.00 0.00 63.50 59.92 3mbh n PRO 213 Cb 0.52 -2.56 -0.02 0.00 -0.04 0.00 0.00 33.50 31.40 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 -1.12 -0.34 -0.37 0.54 -0.85 -1.21 -4.91 117.35 109.09 3mbh s TYR 214 Ca 0.55 0.01 0.03 0.00 -0.52 0.00 0.00 57.07 57.14 3mbh s TYR 214 Cb 0.21 0.63 0.11 0.00 0.38 0.00 0.00 41.96 43.30 3mbh s TYR 214 CO -0.11 -1.01 0.11 -0.51 -1.52 0.00 0.00 175.55 172.51 3mbh s LEU 215 N -2.83 3.88 0.47 -3.49 1.43 -1.26 -2.90 118.68 113.99 3mbh s LEU 215 Ca 0.07 -2.21 0.24 0.00 -1.03 0.00 0.00 54.13 51.20 3mbh s LEU 215 Cb -0.03 -1.39 1.17 0.00 0.03 0.00 0.00 46.19 45.97 3mbh s LEU 215 CO -0.02 -0.35 1.95 1.55 0.23 0.00 0.00 176.35 179.70 3mbh h PRO 216 N 7.47 0.00 -0.02 1.29 0.13 -1.96 -2.21 132.00 136.69 3mbh h PRO 216 Ca -0.07 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3mbh h PRO 216 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 3mbh h PRO 216 CO 0.53 0.19 0.03 0.00 -0.23 0.00 0.00 178.00 178.53 3mbh h ALA 217 N 1.81 1.43 0.00 -0.56 0.00 -1.98 -0.79 119.26 119.17 3mbh h ALA 217 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mbh h ALA 217 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3mbh h ALA 217 CO 0.03 -0.05 0.00 0.72 0.00 0.00 0.00 179.25 179.95 3mbh n HIS 218 N -3.63 0.00 -3.68 0.00 8.25 -0.83 -4.43 115.22 110.90 3mbh n HIS 218 Ca -0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.14 3mbh n HIS 218 Cb 0.12 -0.44 -0.14 0.00 1.12 0.00 0.00 29.99 30.65 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 -2.87 1.52 0.11 4.41 2.02 -0.30 -4.52 117.35 117.71 3mbh s TYR 219 Ca 0.11 -1.76 -0.36 0.00 -0.37 0.00 0.00 57.07 54.69 3mbh s TYR 219 Cb 0.11 -1.59 -0.16 0.00 -0.40 0.00 0.00 41.96 39.92 3mbh s TYR 219 CO 0.30 -0.85 1.31 -2.30 -1.57 0.00 0.00 175.55 172.43 3mbh n PRO 220 N 4.59 1.16 -0.11 -1.71 -0.02 -1.26 -2.65 135.00 135.00 3mbh n PRO 220 Ca 0.01 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3mbh n PRO 220 Cb 0.40 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.43 0.54 0.29 -1.23 0.00 -1.26 -4.48 105.19 101.48 3mbh n GLY 221 Ca 0.18 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.35 3mbh n GLY 221 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3mbh h THR 222 N 0.00 0.43 -0.12 2.61 2.02 -1.77 -0.94 112.91 115.15 3mbh h THR 222 Ca 0.00 -0.19 -0.14 0.00 0.77 0.00 0.00 66.41 66.86 3mbh h THR 222 Cb 0.00 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3mbh h THR 222 CO 0.00 0.04 -0.52 1.23 0.37 0.00 0.00 175.52 176.64 3mbh h GLY 223 N 0.34 0.35 0.91 2.16 0.00 -1.91 0.18 103.07 105.10 3mbh h GLY 223 Ca -0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 3mbh h GLY 223 CO 0.00 0.35 -0.01 -0.55 0.00 0.00 0.00 176.54 176.34 3mbh h ASP 224 N 0.25 0.60 -0.13 0.19 3.32 -1.62 -1.85 116.42 117.19 3mbh h ASP 224 Ca 0.01 -0.31 0.02 0.00 0.02 0.00 0.00 57.03 56.76 3mbh h ASP 224 Cb 1.00 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 3mbh h ASP 224 CO 0.08 0.77 0.02 0.74 -1.72 0.00 0.00 179.24 179.14 3mbh h THR 225 N 0.41 0.95 0.06 0.35 2.02 -1.17 -1.84 112.91 113.68 3mbh h THR 225 Ca 0.10 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.26 3mbh h THR 225 Cb 0.47 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3mbh h THR 225 CO 0.02 0.01 -0.14 0.15 0.37 0.00 0.00 175.52 175.94 3mbh h PHE 226 N 0.08 -0.35 -0.12 3.16 3.57 -0.89 -2.21 116.94 120.18 3mbh h PHE 226 Ca 0.06 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 3mbh h PHE 226 Cb 0.05 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3mbh h PHE 226 CO -0.12 -0.20 -0.44 1.15 -2.23 0.00 0.00 178.31 176.47 3mbh h THR 227 N -0.26 1.32 -0.08 4.41 2.02 -1.34 -0.50 112.91 118.49 3mbh h THR 227 Ca 0.03 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.62 3mbh h THR 227 Cb 0.29 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3mbh h THR 227 CO -0.09 0.48 0.05 0.28 0.37 0.00 0.00 175.52 176.60 3mbh h SER 228 N 0.23 0.09 -0.46 4.18 0.02 -1.11 0.14 113.55 116.64 3mbh h SER 228 Ca 0.02 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 3mbh h SER 228 Cb 0.87 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 3mbh h SER 228 CO 0.07 0.07 0.02 0.58 -1.14 0.00 0.00 176.83 176.43 3mbh h VAL 229 N 0.10 1.26 -0.36 2.27 2.07 -1.10 -0.52 116.25 119.97 3mbh h VAL 229 Ca 0.03 -1.01 0.07 0.00 0.82 0.00 0.00 66.70 66.60 3mbh h VAL 229 Cb -0.01 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 3mbh h VAL 229 CO -0.01 0.35 -0.02 0.40 0.02 0.00 0.00 177.57 178.32 3mbh h ILE 230 N 0.66 0.71 -0.28 4.57 1.08 -0.97 0.44 117.51 123.72 3mbh h ILE 230 Ca 0.13 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.57 3mbh h ILE 230 Cb 0.47 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 3mbh h ILE 230 CO 0.02 0.01 0.15 0.74 -0.69 0.00 0.00 178.15 178.38 3mbh h THR 231 N 0.07 1.12 -0.34 -0.27 2.02 -0.15 -0.73 112.91 114.64 3mbh h THR 231 Ca 0.18 -0.33 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 3mbh h THR 231 Cb 0.25 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3mbh h THR 231 CO -0.31 0.12 -0.22 1.23 0.37 0.00 0.00 175.52 176.71 3mbh h GLY 232 N 0.33 0.71 0.73 2.16 0.00 -0.89 -3.17 103.07 102.94 3mbh h GLY 232 Ca 0.10 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 3mbh h GLY 232 CO -0.02 0.53 0.00 0.23 0.00 0.00 0.00 176.54 177.29 3mbh h SER 233 N 0.58 0.03 0.00 0.19 0.87 -0.65 -0.75 113.55 113.82 3mbh h SER 233 Ca 0.08 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 3mbh h SER 233 Cb 0.68 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 3mbh h SER 233 CO 0.05 0.31 0.00 0.18 -0.53 0.00 0.00 176.83 176.84 3mbh n LEU 234 N -4.93 0.00 0.00 2.23 4.77 -0.30 -1.90 117.00 116.86 3mbh n LEU 234 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3mbh n LEU 234 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3mbh n LEU 234 CO 0.34 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.40 3mbh n GLN 236 N 0.86 0.00 -0.34 3.23 6.02 -0.29 -4.07 117.38 122.79 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 -0.03 0.00 0.00 1.02 0.00 0.00 30.24 31.23 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 0.03 0.82 3.77 1.08 0.00 -1.08 -5.06 105.19 104.74 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 -2.05 5.37 0.75 1.61 1.01 -0.80 -5.04 116.67 117.52 3mbh s ASP 238 Ca 0.00 2.11 -0.11 0.00 0.71 0.00 0.00 52.55 55.25 3mbh s ASP 238 Cb 0.00 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.40 3mbh s ASP 238 CO 0.00 -1.45 1.09 -0.94 0.21 0.00 0.00 175.17 174.08 3mbh s SER 239 N -2.16 4.97 0.15 0.27 1.04 -1.26 -4.43 113.70 112.28 3mbh s SER 239 Ca 0.70 1.25 -0.16 0.00 0.48 0.00 0.00 55.95 58.22 3mbh s SER 239 Cb -0.23 -2.02 0.05 0.00 0.10 0.00 0.00 66.02 63.93 3mbh s SER 239 CO 0.34 -1.66 1.76 0.25 0.98 0.00 0.00 173.24 174.92 3mbh h LEU 240 N -0.87 0.18 -2.02 2.42 5.85 -1.99 0.41 115.31 119.29 3mbh h LEU 240 Ca -0.46 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3mbh h LEU 240 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3mbh h LEU 240 CO 0.61 0.14 0.00 -0.81 -0.34 0.00 0.00 178.44 178.05 3mbh n PRO 241 N -4.99 0.02 0.00 5.25 -0.04 -1.26 -0.69 135.00 133.30 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 0.11 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 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 1.00 0.00 -0.27 0.55 0.00 0.13 -1.62 120.51 120.30 3mbh n ALA 243 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3mbh n ALA 243 Cb 0.01 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.55 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 0.80 -0.26 0.00 3.38 -1.17 -1.28 115.31 116.78 3mbh h LEU 244 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mbh h LEU 244 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3mbh h LEU 244 CO 0.00 0.56 0.17 0.44 0.09 0.00 0.00 178.44 179.70 3mbh h ASP 245 N 0.95 0.31 -0.49 -0.43 3.32 -1.55 -1.59 116.42 116.94 3mbh h ASP 245 Ca 0.30 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 3mbh h ASP 245 Cb -0.01 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3mbh h ASP 245 CO -0.10 0.24 0.00 0.03 -1.72 0.00 0.00 179.24 177.69 3mbh h ARG 246 N 0.35 0.86 -0.06 3.56 3.08 -1.79 -0.25 114.38 120.12 3mbh h ARG 246 Ca 0.10 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 3mbh h ARG 246 Cb -0.02 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3mbh h ARG 246 CO -0.02 0.90 0.03 0.00 -1.07 0.00 0.00 179.97 179.81 3mbh h ALA 247 N 0.93 0.08 -0.21 0.04 0.00 -1.15 -1.36 119.26 117.60 3mbh h ALA 247 Ca 0.14 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3mbh h ALA 247 Cb 0.51 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3mbh h ALA 247 CO 0.02 -0.34 -0.24 1.79 0.00 0.00 0.00 179.25 180.49 3mbh h THR 248 N -0.05 1.33 -0.36 0.00 1.35 -1.25 -1.28 112.91 112.65 3mbh h THR 248 Ca 0.02 -1.42 0.06 0.00 -0.55 0.00 0.00 66.41 64.51 3mbh h THR 248 Cb 0.16 1.76 -0.05 0.00 -1.73 0.00 0.00 68.15 68.29 3mbh h THR 248 CO -0.00 0.44 0.07 -0.61 -0.25 0.00 0.00 175.52 175.16 3mbh h GLN 249 N 0.22 0.18 -0.02 4.72 4.15 -1.07 -0.10 115.11 123.18 3mbh h GLN 249 Ca 0.03 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.45 3mbh h GLN 249 Cb 0.80 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 3mbh h GLN 249 CO 0.06 0.12 -0.04 0.35 -1.93 0.00 0.00 178.83 177.39 3mbh h PHE 250 N 0.19 -0.10 -0.87 3.99 3.57 -1.10 -0.66 116.94 121.96 3mbh h PHE 250 Ca 0.17 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.73 3mbh h PHE 250 Cb 0.20 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 3mbh h PHE 250 CO -0.19 -0.06 0.56 0.82 -2.23 0.00 0.00 178.31 177.20 3mbh h ILE 251 N -0.06 1.09 -0.36 1.41 2.04 -1.04 -0.74 117.51 119.86 3mbh h ILE 251 Ca 0.02 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 3mbh h ILE 251 Cb 0.10 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 3mbh h ILE 251 CO -0.06 0.19 0.19 0.25 0.00 0.00 0.00 178.15 178.72 3mbh h LEU 252 N 1.05 0.45 -0.57 1.44 5.85 -0.29 -0.93 115.31 122.31 3mbh h LEU 252 Ca 0.37 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3mbh h LEU 252 Cb 0.09 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3mbh h LEU 252 CO -0.14 0.43 0.28 1.56 -0.34 0.00 0.00 178.44 180.22 3mbh h GLN 253 N 0.44 0.82 -0.88 1.25 4.20 -0.76 -0.27 115.11 119.92 3mbh h GLN 253 Ca 0.12 -0.12 0.10 0.00 0.06 0.00 0.00 58.65 58.81 3mbh h GLN 253 Cb 0.08 -0.15 -0.08 0.00 0.30 0.00 0.00 27.48 27.64 3mbh h GLN 253 CO -0.02 0.67 0.53 0.78 -0.67 0.00 0.00 178.83 180.11 3mbh h GLY 254 N 0.77 1.39 0.28 3.46 0.00 -0.51 -0.68 103.07 107.78 3mbh h GLY 254 Ca 0.20 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 3mbh h GLY 254 CO -0.03 0.16 -0.02 -2.22 0.00 0.00 0.00 176.54 174.43 3mbh h ILE 255 N 0.87 1.39 -0.44 2.60 2.04 -0.91 -2.34 117.51 120.73 3mbh h ILE 255 Ca 0.42 -1.58 0.07 0.00 1.00 0.00 0.00 64.86 64.77 3mbh h ILE 255 Cb 0.38 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 3mbh h ILE 255 CO -0.24 0.39 0.30 0.03 0.00 0.00 0.00 178.15 178.62 3mbh h ARG 256 N -0.77 0.28 0.00 2.37 3.08 -0.87 0.59 114.38 119.06 3mbh h ARG 256 Ca -0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3mbh h ARG 256 Cb 0.67 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 3mbh h ARG 256 CO 0.01 0.19 -0.00 0.00 -1.07 0.00 0.00 179.97 179.09 3mbh h ALA 257 N 1.77 1.04 0.00 0.04 0.00 -1.19 -2.19 119.26 118.73 3mbh h ALA 257 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3mbh h ALA 257 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3mbh h ALA 257 CO -0.04 0.01 -0.12 0.25 0.00 0.00 0.00 179.25 179.35 3mbh n THR 258 N -3.14 0.14 -2.73 0.00 -2.24 0.20 -4.94 114.28 101.56 3mbh n THR 258 Ca -0.02 -0.07 -0.37 0.00 -2.27 0.00 0.00 64.05 61.32 3mbh n THR 258 Cb 0.12 -0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 67.91 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 -3.03 3.59 0.00 4.78 0.08 -0.83 -4.38 117.98 118.19 3mbh s PHE 259 Ca 0.12 1.75 0.00 0.00 0.12 0.00 0.00 56.93 58.92 3mbh s PHE 259 Cb 0.17 -2.97 0.00 0.00 -0.57 0.00 0.00 43.02 39.65 3mbh s PHE 259 CO 0.58 0.01 0.00 0.41 -0.10 0.00 0.00 175.22 176.12 3mbh n GLY 260 N 0.49 1.86 3.25 4.36 0.00 -1.26 -5.09 105.19 108.80 3mbh n GLY 260 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.79 -0.07 0.01 1.61 1.13 -1.26 -5.12 117.35 111.87 3mbh s TYR 261 Ca 0.00 -0.16 -0.36 0.00 -1.41 0.00 0.00 57.07 55.14 3mbh s TYR 261 Cb 0.00 0.09 -0.15 0.00 -1.10 0.00 0.00 41.96 40.80 3mbh s TYR 261 CO 0.00 -0.54 1.54 -0.85 -2.51 0.00 0.00 175.55 173.19 3mbh n GLU 262 N 0.32 1.52 -3.87 -3.49 -0.00 -1.26 -4.95 120.64 108.91 3mbh n GLU 262 Ca -0.17 0.55 -0.17 0.00 -0.00 0.00 0.00 57.16 57.37 3mbh n GLU 262 Cb 0.61 -2.26 -0.16 0.00 -0.00 0.00 0.00 31.44 29.62 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 1.63 0.26 -0.67 -1.84 5.04 -1.26 -5.10 117.35 115.41 3mbh s TYR 263 Ca 0.87 0.04 -0.27 0.00 -2.44 0.00 0.00 57.07 55.27 3mbh s TYR 263 Cb -0.88 -0.41 0.03 0.00 0.35 0.00 0.00 41.96 41.06 3mbh s TYR 263 CO 0.49 -0.14 1.20 0.34 -1.34 0.00 0.00 175.55 176.10 3mbh s ASP 264 N 1.19 6.25 0.65 4.32 -1.08 -1.26 -4.89 116.67 121.85 3mbh s ASP 264 Ca -0.07 -0.35 0.42 0.00 -0.52 0.00 0.00 52.55 52.03 3mbh s ASP 264 Cb -0.13 -2.54 2.24 0.00 -1.46 0.00 0.00 42.92 41.04 3mbh s ASP 264 CO -0.02 -1.66 2.31 0.78 0.52 0.00 0.00 175.17 177.10 3mbh h ASN 265 N 9.80 0.00 -0.10 -0.34 2.35 -1.91 -1.78 115.58 123.60 3mbh h ASN 265 Ca -0.27 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.51 3mbh h ASN 265 Cb 1.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.42 3mbh h ASN 265 CO 1.23 0.00 0.10 0.03 -1.65 0.00 0.00 177.43 177.14 3mbh h ARG 266 N 0.00 0.00 0.00 0.81 3.08 -1.90 -1.76 114.38 114.61 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 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 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 0.10 0.00 0.04 1.02 -0.67 -4.59 120.64 112.57 3mbh n GLU 267 Ca -0.01 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 3mbh n GLU 267 Cb 0.20 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 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 -0.42 -2.06 3.77 0.62 0.00 -0.66 -3.35 105.19 103.09 3mbh n GLY 268 Ca 0.02 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.13 3.32 -1.45 -0.61 -4.36 -1.26 -4.92 121.20 111.79 3mbh s ILE 269 Ca 0.00 0.53 -0.14 0.00 -0.26 0.00 0.00 60.65 60.79 3mbh s ILE 269 Cb 0.00 -3.05 0.05 0.00 1.25 0.00 0.00 42.46 40.71 3mbh s ILE 269 CO 0.00 -0.46 2.20 0.18 0.24 0.00 0.00 174.94 177.11 3mbh n LEU 270 N -2.85 6.83 0.02 0.37 4.77 -0.88 -4.79 117.00 120.46 3mbh n LEU 270 Ca 0.10 -4.16 -0.10 0.00 -0.03 0.00 0.00 56.01 51.81 3mbh n LEU 270 Cb 0.52 -1.65 -0.04 0.00 -2.33 0.00 0.00 43.42 39.93 3mbh n LEU 270 CO 0.50 1.11 0.77 0.25 -1.33 0.00 0.00 177.39 178.69 3mbh h LEU 271 N 9.92 -0.43 -1.73 2.23 5.85 -1.91 -2.13 115.31 127.11 3mbh h LEU 271 Ca 0.56 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 59.34 3mbh h LEU 271 Cb 0.64 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 3mbh h LEU 271 CO 1.87 -0.19 -0.08 -0.33 -0.34 0.00 0.00 178.44 179.37 3mbh h GLU 272 N -0.20 0.00 0.00 1.25 3.07 -2.00 0.16 114.58 116.86 3mbh h GLU 272 Ca 0.08 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.87 3mbh h GLU 272 Cb 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3mbh h GLU 272 CO -0.20 0.08 -0.36 -0.22 -1.40 0.00 0.00 179.01 176.92 3mbh h LYS 273 N 0.00 0.00 -0.01 2.33 1.63 -1.79 -3.34 116.57 115.39 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 0.44 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 3mbh h LYS 273 CO 0.01 0.32 -0.01 1.33 -3.45 0.00 0.00 179.45 177.65 3mbh n VAL 274 N -3.17 0.00 -0.37 2.00 0.24 -0.09 -4.76 118.33 112.18 3mbh n VAL 274 Ca 0.02 -0.49 -0.01 0.00 -2.04 0.00 0.00 64.34 61.82 3mbh n VAL 274 Cb 0.67 1.14 0.13 0.00 -1.47 0.00 0.00 33.84 34.31 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 1.34 1.13 0.00 1.34 5.85 -1.31 -0.03 115.31 123.64 3mbh h LEU 275 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3mbh h LEU 275 Cb 0.29 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3mbh h LEU 275 CO 0.00 0.80 0.00 1.41 -0.34 0.00 0.00 178.44 180.31 3mbh n HIS 276 N -4.40 0.00 1.05 1.25 8.25 -1.26 -2.59 115.22 117.51 3mbh n HIS 276 Ca 0.13 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.71 3mbh n HIS 276 Cb 0.04 -0.39 0.59 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.39 0.00 0.17 0.41 3.02 -0.02 -3.54 115.26 113.90 3mbh n ASN 277 Ca 0.04 0.15 0.03 0.00 -0.03 0.00 0.00 54.58 54.77 3mbh n ASN 277 Cb 0.12 -0.37 0.40 0.00 -0.61 0.00 0.00 39.78 39.32 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 0.09 0.00 3.41 3.38 -1.67 -3.45 115.31 117.07 3mbh h LEU 278 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3mbh h LEU 278 Cb 0.31 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3mbh h LEU 278 CO 0.00 0.34 0.00 0.47 0.09 0.00 0.00 178.44 179.34 3mbh n ASP 279 N -4.22 0.00 -4.80 -0.43 8.00 -1.23 -5.06 116.55 108.81 3mbh n ASP 279 Ca -0.02 -0.51 -0.38 0.00 0.71 0.00 0.00 54.79 54.60 3mbh n ASP 279 Cb 0.32 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.35 3mbh n ASP 279 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3mbh s PRO 281 N -2.00 4.37 -0.13 -0.24 0.02 -1.26 -5.23 135.00 130.53 3mbh s PRO 281 Ca 0.02 0.97 -0.00 0.00 0.02 0.00 0.00 61.00 62.01 3mbh s PRO 281 Cb 0.01 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.47 3mbh s PRO 281 CO 0.02 0.48 -0.12 0.42 -0.33 0.00 0.00 177.00 177.47 3mbh s ILE 282 N -1.36 3.17 0.00 2.83 -1.09 -1.26 -5.17 121.20 118.32 3mbh s ILE 282 Ca 0.39 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 58.19 3mbh s ILE 282 Cb -0.19 -2.33 0.00 0.00 -1.58 0.00 0.00 42.46 38.35 3mbh s ILE 282 CO 0.23 0.52 0.00 0.00 -1.23 0.00 0.00 174.94 174.46 3mbh n GLN 283 N 3.45 0.00 0.00 2.79 10.64 -1.26 -5.07 117.38 127.93 3mbh n GLN 283 Ca -0.18 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.99 3mbh n GLN 283 Cb 0.53 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.91 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 -1.79 2.61 0.00 -1.26 -4.85 120.51 112.22 3mbh n ALA 285 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 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 0.00 6.13 0.04 0.00 1.04 -1.26 -4.65 113.70 115.00 3mbh s SER 286 Ca 0.00 2.00 -0.01 0.00 0.48 0.00 0.00 55.95 58.43 3mbh s SER 286 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 3mbh s SER 286 CO 0.00 -0.93 -0.02 -0.72 0.98 0.00 0.00 173.24 172.55 3mbh s TYR 287 N -1.93 0.38 -0.02 5.02 1.13 -0.34 -4.96 117.35 116.63 3mbh s TYR 287 Ca 0.69 -0.78 -0.26 0.00 -1.41 0.00 0.00 57.07 55.30 3mbh s TYR 287 Cb -0.19 -0.28 -0.04 0.00 -1.10 0.00 0.00 41.96 40.35 3mbh s TYR 287 CO 0.23 -0.29 0.83 -2.00 -2.51 0.00 0.00 175.55 171.80 3mbh s GLU 288 N -2.67 4.50 -0.51 -3.49 2.12 -1.26 -0.72 118.70 116.67 3mbh s GLU 288 Ca -0.05 1.14 -0.25 0.00 0.36 0.00 0.00 54.97 56.17 3mbh s GLU 288 Cb -0.01 -3.44 0.03 0.00 0.26 0.00 0.00 34.13 30.98 3mbh s GLU 288 CO -0.05 0.06 0.95 -0.51 -0.54 0.00 0.00 175.26 175.17 3mbh s LEU 289 N 0.72 4.01 0.00 2.70 1.43 0.53 -4.91 118.68 123.16 3mbh s LEU 289 Ca 0.44 -0.10 0.27 0.00 -1.03 0.00 0.00 54.13 53.71 3mbh s LEU 289 Cb -0.20 -3.03 0.87 0.00 0.03 0.00 0.00 46.19 43.87 3mbh s LEU 289 CO 0.23 -1.17 1.65 -0.38 0.23 0.00 0.00 176.35 176.91