#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhm s GLU 2 N 0.00 1.70 -0.33 2.12 0.41 0.88 -4.50 118.70 118.99 1bhm s GLU 2 Ca 0.00 -1.47 -0.15 0.00 -0.41 0.00 0.00 54.97 52.94 1bhm s GLU 2 Cb 0.00 -1.93 -0.02 0.00 -1.78 0.00 0.00 34.13 30.40 1bhm s GLU 2 CO 0.00 0.40 0.34 0.08 -0.49 0.00 0.00 175.26 175.60 1bhm s VAL 3 N -1.77 5.19 -0.16 2.63 1.01 -1.26 -0.30 120.40 125.74 1bhm s VAL 3 Ca 0.23 0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.39 1bhm s VAL 3 Cb -0.08 -3.79 -0.17 0.00 0.00 0.00 0.00 36.38 32.35 1bhm s VAL 3 CO 0.12 -0.05 -0.00 1.21 0.00 0.00 0.00 175.10 176.38 1bhm n GLU 4 N 5.34 1.32 -4.21 2.72 2.13 0.01 -4.92 120.64 123.04 1bhm n GLU 4 Ca -0.10 0.02 -0.13 0.00 0.66 0.00 0.00 57.16 57.61 1bhm n GLU 4 Cb 0.50 -1.38 -0.10 0.00 0.27 0.00 0.00 31.44 30.73 1bhm n GLU 4 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1bhm s LYS 5 N -2.36 0.93 -0.14 5.31 1.02 -0.94 -4.97 119.74 118.59 1bhm s LYS 5 Ca -0.12 -1.32 -0.29 0.00 0.02 0.00 0.00 55.97 54.27 1bhm s LYS 5 Cb 0.05 -0.50 0.08 0.00 -0.52 0.00 0.00 37.83 36.94 1bhm s LYS 5 CO 0.56 0.06 0.77 -1.21 -0.92 0.00 0.00 175.35 174.61 1bhm s GLU 6 N -3.41 0.89 -0.05 1.68 2.02 -1.26 0.16 118.70 118.73 1bhm s GLU 6 Ca 0.11 0.45 -0.01 0.00 0.02 0.00 0.00 54.97 55.55 1bhm s GLU 6 Cb 0.01 0.42 0.03 0.00 0.10 0.00 0.00 34.13 34.69 1bhm s GLU 6 CO -0.01 -0.23 0.01 0.12 0.02 0.00 0.00 175.26 175.17 1bhm s PHE 7 N -0.68 0.46 -0.21 1.61 5.36 -0.28 -4.99 117.98 119.26 1bhm s PHE 7 Ca -0.06 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 55.87 1bhm s PHE 7 Cb -0.02 -0.62 0.02 0.00 -0.34 0.00 0.00 43.02 42.07 1bhm s PHE 7 CO 0.05 -0.23 -0.14 0.42 -1.46 0.00 0.00 175.22 173.86 1bhm s ILE 8 N 1.64 2.41 0.84 3.12 1.01 -1.26 -1.73 121.20 127.23 1bhm s ILE 8 Ca -0.01 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.53 1bhm s ILE 8 Cb -0.13 -2.12 0.10 0.00 0.01 0.00 0.00 42.46 40.32 1bhm s ILE 8 CO -0.03 0.38 1.17 0.35 0.00 0.00 0.00 174.94 176.81 1bhm n THR 9 N 4.63 1.41 0.24 2.92 -2.24 -0.53 -4.76 114.28 115.96 1bhm n THR 9 Ca -0.19 -0.15 0.13 0.00 -2.27 0.00 0.00 64.05 61.58 1bhm n THR 9 Cb 0.48 -1.13 0.78 0.00 -2.10 0.00 0.00 70.33 68.36 1bhm n THR 9 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1bhm h ASP 10 N -1.21 0.00 0.23 3.42 3.32 -1.91 -1.41 116.42 118.86 1bhm h ASP 10 Ca -0.45 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.48 1bhm h ASP 10 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 1bhm h ASP 10 CO 0.44 0.00 -0.46 -0.33 -1.72 0.00 0.00 179.24 177.18 1bhm h GLU 11 N 0.00 0.28 0.06 3.56 3.07 -1.88 -2.87 114.58 116.80 1bhm h GLU 11 Ca 0.04 -0.15 -0.24 0.00 -0.50 0.00 0.00 59.36 58.51 1bhm h GLU 11 Cb 0.17 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1bhm h GLU 11 CO -0.00 0.69 -1.10 0.00 -1.40 0.00 0.00 179.01 177.19 1bhm h ALA 12 N 1.30 0.25 -0.71 3.43 0.00 -1.53 -3.19 119.26 118.80 1bhm h ALA 12 Ca 0.02 -0.89 -0.00 0.00 0.00 0.00 0.00 54.91 54.04 1bhm h ALA 12 Cb 0.90 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1bhm h ALA 12 CO 0.07 1.11 0.43 0.87 0.00 0.00 0.00 179.25 181.73 1bhm h LYS 13 N 0.04 0.95 0.13 0.00 1.57 -1.32 0.15 116.57 118.09 1bhm h LYS 13 Ca -0.07 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1bhm h LYS 13 Cb 1.84 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.95 1bhm h LYS 13 CO 0.16 0.66 -0.06 1.49 -0.57 0.00 0.00 179.45 181.13 1bhm h GLU 14 N 0.97 -0.17 -0.19 3.15 4.57 -1.54 -2.38 114.58 119.00 1bhm h GLU 14 Ca 0.26 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1bhm h GLU 14 Cb -0.05 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1bhm h GLU 14 CO -0.05 0.12 0.12 -0.07 -1.18 0.00 0.00 179.01 177.95 1bhm h LEU 15 N -0.46 0.21 -0.73 1.64 3.38 -1.50 -0.20 115.31 117.65 1bhm h LEU 15 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1bhm h LEU 15 Cb 0.37 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1bhm h LEU 15 CO 0.03 0.16 0.00 0.18 0.09 0.00 0.00 178.44 178.89 1bhm n LEU 16 N -4.96 0.33 -0.10 1.67 4.77 0.50 0.10 117.00 119.31 1bhm n LEU 16 Ca -0.03 0.64 -0.24 0.00 -0.03 0.00 0.00 56.01 56.35 1bhm n LEU 16 Cb 0.03 -0.66 -0.12 0.00 -2.33 0.00 0.00 43.42 40.34 1bhm n LEU 16 CO 0.34 -0.70 -1.07 -1.20 -1.33 0.00 0.00 177.39 173.44 1bhm n SER 17 N -1.93 1.97 -0.04 -1.43 7.64 -0.75 -4.69 113.62 114.39 1bhm n SER 17 Ca -0.00 0.24 -0.12 0.00 1.01 0.00 0.00 58.87 60.01 1bhm n SER 17 Cb 0.05 -0.79 -0.14 0.00 -1.01 0.00 0.00 64.21 62.32 1bhm n SER 17 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bhm n LYS 18 N -3.97 0.67 -3.30 1.43 5.02 -0.16 -4.95 118.16 112.90 1bhm n LYS 18 Ca -0.43 0.22 -0.39 0.00 -2.02 0.00 0.00 58.31 55.70 1bhm n LYS 18 Cb 0.88 -1.71 -0.07 0.00 -0.02 0.00 0.00 35.03 34.11 1bhm n LYS 18 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1bhm s ASP 19 N -6.16 6.53 0.17 4.39 -1.08 0.28 -4.96 116.67 115.85 1bhm s ASP 19 Ca -0.10 0.63 0.09 0.00 -0.52 0.00 0.00 52.55 52.65 1bhm s ASP 19 Cb 0.07 -2.27 -0.04 0.00 -1.46 0.00 0.00 42.92 39.22 1bhm s ASP 19 CO 0.80 -0.13 1.38 0.07 0.52 0.00 0.00 175.17 177.81 1bhm h LYS 20 N 7.38 0.00 -0.25 4.34 5.09 -1.93 -1.38 116.57 129.82 1bhm h LYS 20 Ca -0.35 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.26 1bhm h LYS 20 Cb 1.16 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.48 1bhm h LYS 20 CO 0.73 0.87 -0.39 -0.07 -2.09 0.00 0.00 179.45 178.50 1bhm h LEU 21 N 0.00 0.63 -0.23 7.07 3.38 -1.95 -1.15 115.31 123.06 1bhm h LEU 21 Ca -0.01 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 1bhm h LEU 21 Cb 1.57 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1bhm h LEU 21 CO 0.11 0.95 -0.31 0.40 0.09 0.00 0.00 178.44 179.69 1bhm h ILE 22 N 0.49 1.32 -0.65 1.22 1.08 -1.86 -1.42 117.51 117.69 1bhm h ILE 22 Ca 0.04 -1.50 -0.02 0.00 -0.39 0.00 0.00 64.86 63.00 1bhm h ILE 22 Cb 0.90 1.74 -0.03 0.00 -3.07 0.00 0.00 36.82 36.35 1bhm h ILE 22 CO 0.08 0.47 0.32 1.56 -0.69 0.00 0.00 178.15 179.89 1bhm h GLN 23 N 0.32 0.91 -0.41 2.37 4.20 -1.15 -1.04 115.11 120.30 1bhm h GLN 23 Ca 0.03 -0.11 -0.12 0.00 0.06 0.00 0.00 58.65 58.51 1bhm h GLN 23 Cb 0.88 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1bhm h GLN 23 CO 0.07 0.69 -0.19 0.37 -0.67 0.00 0.00 178.83 179.10 1bhm h GLN 24 N 0.91 0.86 -0.73 1.46 4.15 -1.07 -0.73 115.11 119.97 1bhm h GLN 24 Ca 0.23 -0.37 -0.06 0.00 0.77 0.00 0.00 58.65 59.21 1bhm h GLN 24 Cb 0.07 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 1bhm h GLN 24 CO -0.03 1.01 0.22 0.00 -1.93 0.00 0.00 178.83 178.10 1bhm h ALA 25 N 0.82 0.95 0.31 3.38 0.00 -0.79 -2.17 119.26 121.76 1bhm h ALA 25 Ca 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1bhm h ALA 25 Cb 0.75 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1bhm h ALA 25 CO 0.06 0.64 -0.15 -0.92 0.00 0.00 0.00 179.25 178.88 1bhm h TYR 26 N 1.08 -0.38 -0.25 0.00 3.20 -1.07 -1.19 116.97 118.35 1bhm h TYR 26 Ca 0.23 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1bhm h TYR 26 Cb 0.32 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1bhm h TYR 26 CO 0.03 -0.24 0.07 -0.91 -1.64 0.00 0.00 178.16 175.47 1bhm h ASN 27 N -0.41 0.32 -0.00 -2.11 4.21 -1.10 -0.69 115.58 115.79 1bhm h ASN 27 Ca -0.04 -0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.44 1bhm h ASN 27 Cb 0.32 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.44 1bhm h ASN 27 CO 0.07 0.32 0.00 -0.33 -1.29 0.00 0.00 177.43 176.20 1bhm h GLU 28 N 0.35 0.01 -0.44 0.81 5.08 -1.15 -1.59 114.58 117.65 1bhm h GLU 28 Ca 0.09 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1bhm h GLU 28 Cb 0.13 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1bhm h GLU 28 CO -0.00 0.27 0.04 -0.39 -1.00 0.00 0.00 179.01 177.92 1bhm h VAL 29 N -0.26 1.22 -0.29 3.13 -1.51 -0.78 -1.51 116.25 116.25 1bhm h VAL 29 Ca 0.00 -0.86 -0.02 0.00 -1.23 0.00 0.00 66.70 64.60 1bhm h VAL 29 Cb 0.27 0.85 -0.01 0.00 -2.13 0.00 0.00 31.29 30.26 1bhm h VAL 29 CO 0.00 0.30 0.12 0.11 -1.23 0.00 0.00 177.57 176.88 1bhm h LYS 30 N 0.66 0.43 -0.74 5.19 1.57 -1.07 0.69 116.57 123.31 1bhm h LYS 30 Ca 0.14 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1bhm h LYS 30 Cb 0.35 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 1bhm h LYS 30 CO 0.01 0.45 0.43 1.15 -0.57 0.00 0.00 179.45 180.92 1bhm h THR 31 N 0.33 1.21 -0.32 -0.16 2.02 -1.09 -0.58 112.91 114.33 1bhm h THR 31 Ca 0.10 -0.49 -0.08 0.00 0.77 0.00 0.00 66.41 66.70 1bhm h THR 31 Cb 0.17 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1bhm h THR 31 CO -0.01 0.23 -0.13 0.28 0.37 0.00 0.00 175.52 176.26 1bhm h SER 32 N 1.01 0.67 0.51 4.18 0.02 -0.89 -2.92 113.55 116.13 1bhm h SER 32 Ca 0.26 -0.39 -0.07 0.00 -0.84 0.00 0.00 61.79 60.75 1bhm h SER 32 Cb -0.01 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1bhm h SER 32 CO -0.05 0.91 -0.35 -0.29 -1.14 0.00 0.00 176.83 175.91 1bhm h ILE 33 N 0.42 1.07 0.00 3.27 6.09 0.65 -0.43 117.51 128.58 1bhm h ILE 33 Ca 0.08 -1.28 0.00 0.00 -1.37 0.00 0.00 64.86 62.29 1bhm h ILE 33 Cb 0.64 1.73 0.00 0.00 0.47 0.00 0.00 36.82 39.66 1bhm h ILE 33 CO 0.04 0.34 0.00 0.00 -3.07 0.00 0.00 178.15 175.46 1bhm h SER 35 N 0.00 -0.05 -2.01 0.00 0.02 -0.89 -2.47 113.55 108.14 1bhm h SER 35 Ca 0.00 -0.45 -0.64 0.00 -0.84 0.00 0.00 61.79 59.87 1bhm h SER 35 Cb 0.00 0.01 0.10 0.00 0.14 0.00 0.00 62.40 62.65 1bhm h SER 35 CO 0.00 0.43 0.08 -2.65 -1.14 0.00 0.00 176.83 173.56 1bhm n PRO 36 N -4.89 1.05 -4.10 3.45 -0.02 -1.26 -4.64 135.00 124.59 1bhm n PRO 36 Ca -0.08 0.37 -0.12 0.00 -2.02 0.00 0.00 63.50 61.64 1bhm n PRO 36 Cb 0.25 -1.74 -0.11 0.00 -0.02 0.00 0.00 33.50 31.89 1bhm n PRO 36 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1bhm s ILE 37 N -0.69 0.62 -0.29 4.25 -5.25 -1.26 -2.41 121.20 116.17 1bhm s ILE 37 Ca 0.66 -1.37 -0.15 0.00 -0.99 0.00 0.00 60.65 58.79 1bhm s ILE 37 Cb -0.81 -0.99 0.10 0.00 2.95 0.00 0.00 42.46 43.72 1bhm s ILE 37 CO 0.56 -0.54 0.76 0.86 -1.79 0.00 0.00 174.94 174.79 1bhm s TRP 38 N -2.12 -0.98 0.57 1.37 -0.11 0.78 -4.50 118.94 113.95 1bhm s TRP 38 Ca -0.02 1.91 -0.10 0.00 1.22 0.00 0.00 56.10 59.11 1bhm s TRP 38 Cb -0.05 0.59 0.14 0.00 -1.50 0.00 0.00 33.47 32.64 1bhm s TRP 38 CO -0.01 -0.49 0.63 -0.35 -4.62 0.00 0.00 176.95 172.11 1bhm n PRO 39 N 4.36 -1.34 0.00 5.86 -0.04 -1.26 -0.72 135.00 141.87 1bhm n PRO 39 Ca -0.18 -0.99 0.02 0.00 -0.04 0.00 0.00 63.50 62.31 1bhm n PRO 39 Cb 0.57 -0.77 0.10 0.00 -0.04 0.00 0.00 33.50 33.36 1bhm n PRO 39 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bhm n ALA 40 N -3.68 1.56 -0.01 0.55 0.00 -1.26 -1.53 120.51 116.13 1bhm n ALA 40 Ca -0.11 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.37 1bhm n ALA 40 Cb 0.30 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.60 1bhm n ALA 40 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bhm n THR 41 N -1.07 0.01 -1.07 0.00 -2.24 -1.26 -5.02 114.28 103.63 1bhm n THR 41 Ca 0.02 -0.28 -0.30 0.00 -2.27 0.00 0.00 64.05 61.22 1bhm n THR 41 Cb 0.02 0.20 0.14 0.00 -2.10 0.00 0.00 70.33 68.59 1bhm n THR 41 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1bhm s SER 42 N -3.43 3.41 0.00 3.42 0.15 -0.58 -4.99 113.70 111.68 1bhm s SER 42 Ca -0.04 1.69 0.19 0.00 0.70 0.00 0.00 55.95 58.49 1bhm s SER 42 Cb 0.08 -2.34 -0.19 0.00 -1.71 0.00 0.00 66.02 61.85 1bhm s SER 42 CO 0.51 -2.71 0.83 0.29 1.20 0.00 0.00 173.24 173.36 1bhm n LYS 43 N -3.95 0.70 -4.43 5.44 5.02 -1.26 -4.76 118.16 114.93 1bhm n LYS 43 Ca 0.08 -0.06 -0.22 0.00 -2.02 0.00 0.00 58.31 56.08 1bhm n LYS 43 Cb 0.54 -1.41 -0.09 0.00 -0.02 0.00 0.00 35.03 34.05 1bhm n LYS 43 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bhm s THR 44 N -2.78 0.59 -0.52 -0.18 -4.23 -1.26 -4.91 115.64 102.36 1bhm s THR 44 Ca 0.08 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.40 1bhm s THR 44 Cb 0.15 -2.50 0.07 0.00 1.34 0.00 0.00 72.50 71.56 1bhm s THR 44 CO 0.77 0.00 0.61 0.12 -0.54 0.00 0.00 174.62 175.58 1bhm s PHE 45 N -3.39 3.07 -0.15 3.99 2.19 -1.26 -0.15 117.98 122.29 1bhm s PHE 45 Ca 0.31 -0.68 -0.05 0.00 0.33 0.00 0.00 56.93 56.84 1bhm s PHE 45 Cb 0.05 -3.58 -0.04 0.00 -1.31 0.00 0.00 43.02 38.14 1bhm s PHE 45 CO 0.16 -1.05 0.03 0.99 1.83 0.00 0.00 175.22 177.18 1bhm s THR 46 N 2.49 4.54 -0.11 0.12 2.01 0.11 -0.98 115.64 123.82 1bhm s THR 46 Ca 0.13 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.01 1bhm s THR 46 Cb -0.21 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 1bhm s THR 46 CO 0.10 0.52 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.86 1bhm s ILE 47 N -0.08 2.63 -0.16 1.82 1.10 -0.08 -4.57 121.20 121.87 1bhm s ILE 47 Ca 0.05 -0.82 -0.29 0.00 -0.51 0.00 0.00 60.65 59.08 1bhm s ILE 47 Cb -0.12 -2.06 -0.04 0.00 0.15 0.00 0.00 42.46 40.38 1bhm s ILE 47 CO 0.02 0.54 1.76 0.21 -2.11 0.00 0.00 174.94 175.36 1bhm s ASN 48 N 0.26 6.30 -0.69 4.50 3.84 -1.25 -1.40 114.94 126.49 1bhm s ASN 48 Ca -0.12 1.90 -0.02 0.00 0.21 0.00 0.00 52.86 54.82 1bhm s ASN 48 Cb -0.16 -2.53 0.44 0.00 -0.55 0.00 0.00 41.25 38.45 1bhm s ASN 48 CO 0.07 -1.28 2.04 -0.46 -2.79 0.00 0.00 177.10 174.67 1bhm n ASN 49 N 8.60 7.70 0.12 -4.21 0.23 -1.23 -4.76 115.26 121.71 1bhm n ASN 49 Ca 0.20 -3.80 -0.14 0.00 -0.53 0.00 0.00 54.58 50.32 1bhm n ASN 49 Cb 0.44 -0.99 -0.08 0.00 -2.08 0.00 0.00 39.78 37.07 1bhm n ASN 49 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1bhm h THR 50 N 1.12 0.86 -4.20 5.53 1.35 -1.89 -3.46 112.91 112.22 1bhm h THR 50 Ca 0.60 -0.21 -0.21 0.00 -0.55 0.00 0.00 66.41 66.04 1bhm h THR 50 Cb 0.71 0.99 -0.15 0.00 -1.73 0.00 0.00 68.15 67.97 1bhm h THR 50 CO 1.58 0.05 -0.66 -1.61 -0.25 0.00 0.00 175.52 174.63 1bhm s GLU 51 N -5.73 0.96 0.35 4.72 2.02 -1.26 -5.11 118.70 114.65 1bhm s GLU 51 Ca -0.15 -1.45 -0.28 0.00 0.02 0.00 0.00 54.97 53.11 1bhm s GLU 51 Cb 0.04 0.07 -0.11 0.00 0.10 0.00 0.00 34.13 34.24 1bhm s GLU 51 CO 0.64 -0.20 1.48 0.21 0.02 0.00 0.00 175.26 177.40 1bhm s LYS 52 N -3.99 4.15 -1.25 1.61 2.20 -1.26 -2.89 119.74 118.30 1bhm s LYS 52 Ca 0.22 2.52 -0.04 0.00 -0.36 0.00 0.00 55.97 58.31 1bhm s LYS 52 Cb 0.07 -2.99 0.03 0.00 -1.51 0.00 0.00 37.83 33.43 1bhm s LYS 52 CO 0.01 -0.50 0.29 0.09 -0.36 0.00 0.00 175.35 174.89 1bhm n ASN 53 N 0.81 -4.27 0.12 1.43 5.03 0.84 -4.87 115.26 114.34 1bhm n ASN 53 Ca 0.02 -0.12 0.12 0.00 0.87 0.00 0.00 54.58 55.47 1bhm n ASN 53 Cb 0.39 -3.55 0.14 0.00 -1.02 0.00 0.00 39.78 35.74 1bhm n ASN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bhm s ASN 55 N -5.08 6.38 0.86 0.00 0.01 0.63 -4.76 114.94 112.97 1bhm s ASN 55 Ca 0.05 0.34 -0.09 0.00 -0.71 0.00 0.00 52.86 52.44 1bhm s ASN 55 Cb 0.10 -2.00 0.17 0.00 0.41 0.00 0.00 41.25 39.93 1bhm s ASN 55 CO 0.72 0.22 1.18 -0.83 -1.51 0.00 0.00 177.10 176.88 1bhm s GLY 56 N -2.14 1.77 -0.02 0.66 0.00 0.32 -1.75 107.32 106.16 1bhm s GLY 56 Ca 0.30 -1.42 0.09 0.00 0.00 0.00 0.00 44.72 43.69 1bhm s GLY 56 CO 0.22 -0.74 0.18 1.55 0.00 0.00 0.00 173.10 174.31 1bhm n VAL 57 N -3.36 0.04 0.09 1.40 3.14 -1.26 -4.76 118.33 113.61 1bhm n VAL 57 Ca 0.15 -0.21 -0.16 0.00 -2.96 0.00 0.00 64.34 61.16 1bhm n VAL 57 Cb 0.60 0.23 -0.10 0.00 -1.06 0.00 0.00 33.84 33.51 1bhm n VAL 57 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1bhm h VAL 58 N 0.00 0.01 0.00 1.55 2.07 -1.96 -2.05 116.25 115.87 1bhm h VAL 58 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1bhm h VAL 58 Cb 0.47 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1bhm h VAL 58 CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 1bhm n PRO 59 N -5.48 0.10 -0.01 1.57 -0.05 -1.26 -2.64 135.00 127.23 1bhm n PRO 59 Ca -0.08 0.06 -0.18 0.00 -0.05 0.00 0.00 63.50 63.25 1bhm n PRO 59 Cb 0.41 -1.50 -0.08 0.00 -0.05 0.00 0.00 33.50 32.28 1bhm n PRO 59 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 175.50 176.27 1bhm h ILE 60 N 0.00 1.29 -0.06 0.52 2.04 -1.71 -3.34 117.51 116.25 1bhm h ILE 60 Ca 0.00 -2.01 -0.13 0.00 1.00 0.00 0.00 64.86 63.72 1bhm h ILE 60 Cb 0.01 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1bhm h ILE 60 CO 0.00 0.63 -0.54 0.11 0.00 0.00 0.00 178.15 178.35 1bhm h LYS 61 N 0.43 0.18 0.00 2.37 1.57 -1.68 -3.41 116.57 116.04 1bhm h LYS 61 Ca -0.07 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1bhm h LYS 61 Cb 1.43 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.75 1bhm h LYS 61 CO 0.16 0.67 0.00 0.39 -0.57 0.00 0.00 179.45 180.10 1bhm n GLU 62 N -3.92 0.00 0.26 3.15 -0.58 -1.25 -1.00 120.64 117.30 1bhm n GLU 62 Ca -0.02 0.65 0.17 0.00 -0.42 0.00 0.00 57.16 57.54 1bhm n GLU 62 Cb 0.56 -0.98 0.90 0.00 -0.57 0.00 0.00 31.44 31.36 1bhm n GLU 62 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1bhm h LEU 63 N 0.00 0.00 -0.03 -4.62 3.38 -1.84 -2.29 115.31 109.91 1bhm h LEU 63 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 1bhm h LEU 63 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 1bhm h LEU 63 CO 0.00 0.00 -0.97 0.00 0.09 0.00 0.00 178.44 177.56 1bhm h TYR 65 N 0.40 0.86 -0.35 0.00 0.05 -1.11 -2.39 116.97 114.43 1bhm h TYR 65 Ca -0.11 -0.23 0.06 0.00 0.05 0.00 0.00 58.73 58.50 1bhm h TYR 65 Cb 1.62 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 39.11 1bhm h TYR 65 CO 0.10 0.96 0.04 1.15 -1.05 0.00 0.00 178.16 179.37 1bhm h THR 66 N 0.51 0.78 -0.18 -2.88 2.02 -1.52 0.46 112.91 112.10 1bhm h THR 66 Ca 0.07 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1bhm h THR 66 Cb 0.76 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1bhm h THR 66 CO 0.06 0.03 0.02 -0.07 0.37 0.00 0.00 175.52 175.93 1bhm h LEU 67 N 0.15 0.29 0.00 2.58 3.38 -1.48 0.17 115.31 120.40 1bhm h LEU 67 Ca 0.17 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1bhm h LEU 67 Cb 0.21 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1bhm h LEU 67 CO -0.25 0.49 -0.33 -0.07 0.09 0.00 0.00 178.44 178.37 1bhm h LEU 68 N 0.08 -0.99 0.49 1.67 3.38 -0.80 0.34 115.31 119.49 1bhm h LEU 68 Ca 0.05 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1bhm h LEU 68 Cb 0.33 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1bhm h LEU 68 CO 0.01 -0.39 -0.23 -0.33 0.09 0.00 0.00 178.44 177.58 1bhm h GLU 69 N -0.48 -0.63 -0.18 1.13 5.08 -0.13 0.73 114.58 120.09 1bhm h GLU 69 Ca 0.06 0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.30 1bhm h GLU 69 Cb 0.57 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1bhm h GLU 69 CO -0.27 -0.42 -0.56 -0.44 -1.00 0.00 0.00 179.01 176.32 1bhm h ASP 70 N -1.17 0.63 0.02 1.42 3.32 -0.71 -2.46 116.42 117.47 1bhm h ASP 70 Ca -0.07 -0.34 -0.34 0.00 0.02 0.00 0.00 57.03 56.30 1bhm h ASP 70 Cb 0.51 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 1bhm h ASP 70 CO 0.11 1.06 -1.92 0.41 -1.72 0.00 0.00 179.24 177.18 1bhm n THR 71 N -3.95 1.57 1.21 0.35 -1.04 0.11 -4.55 114.28 107.98 1bhm n THR 71 Ca -0.03 -0.31 0.13 0.00 -2.04 0.00 0.00 64.05 61.79 1bhm n THR 71 Cb 0.61 -1.87 0.33 0.00 -1.82 0.00 0.00 70.33 67.59 1bhm n THR 71 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bhm n TYR 72 N -4.07 0.05 -1.96 -1.42 4.01 -0.59 -5.01 117.16 108.18 1bhm n TYR 72 Ca -0.40 -0.03 -0.16 0.00 -0.16 0.00 0.00 57.90 57.15 1bhm n TYR 72 Cb 0.85 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.84 1bhm n TYR 72 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1bhm n ASN 73 N 0.73 -4.87 -4.82 7.72 4.13 0.17 -4.90 115.26 113.42 1bhm n ASN 73 Ca 0.17 0.16 -0.32 0.00 1.68 0.00 0.00 54.58 56.26 1bhm n ASN 73 Cb 0.47 -3.91 0.01 0.00 -1.54 0.00 0.00 39.78 34.81 1bhm n ASN 73 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1bhm s TRP 74 N -2.72 3.12 0.01 3.10 0.52 -0.73 -4.95 118.94 117.29 1bhm s TRP 74 Ca 0.00 1.48 0.04 0.00 0.02 0.00 0.00 56.10 57.64 1bhm s TRP 74 Cb 0.00 -2.94 -0.03 0.00 -1.15 0.00 0.00 33.47 29.35 1bhm s TRP 74 CO 0.00 -0.98 -0.07 0.71 0.02 0.00 0.00 176.95 176.62 1bhm s TYR 75 N -2.61 2.86 0.34 -1.98 1.51 0.54 -4.32 117.35 113.68 1bhm s TYR 75 Ca 0.61 -0.06 -0.02 0.00 -1.01 0.00 0.00 57.07 56.59 1bhm s TYR 75 Cb -0.14 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.08 1bhm s TYR 75 CO 0.40 0.37 0.57 1.03 -1.11 0.00 0.00 175.55 176.80 1bhm s ARG 76 N -1.49 3.54 -1.04 -0.62 1.81 -1.26 0.14 118.95 120.04 1bhm s ARG 76 Ca 0.17 -0.17 -0.18 0.00 -1.72 0.00 0.00 55.73 53.84 1bhm s ARG 76 Cb -0.11 -2.63 0.01 0.00 -0.45 0.00 0.00 34.95 31.77 1bhm s ARG 76 CO 0.08 0.14 0.69 0.39 -0.68 0.00 0.00 175.30 175.93 1bhm n GLU 77 N -1.51 -0.99 -3.37 3.54 1.02 -1.06 -4.92 120.64 113.35 1bhm n GLU 77 Ca -0.03 0.51 -0.40 0.00 -0.02 0.00 0.00 57.16 57.21 1bhm n GLU 77 Cb 0.55 -3.18 -0.09 0.00 -0.02 0.00 0.00 31.44 28.70 1bhm n GLU 77 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1bhm s LYS 78 N -5.90 3.74 0.51 3.49 2.36 -0.30 -4.79 119.74 118.84 1bhm s LYS 78 Ca 0.30 -0.21 -0.19 0.00 -2.55 0.00 0.00 55.97 53.32 1bhm s LYS 78 Cb -0.14 -3.75 -0.07 0.00 -1.05 0.00 0.00 37.83 32.82 1bhm s LYS 78 CO 0.90 -0.45 1.05 -1.25 1.55 0.00 0.00 175.35 177.14 1bhm s PRO 79 N 2.10 3.68 -0.04 4.03 0.04 -1.26 -0.97 135.00 142.59 1bhm s PRO 79 Ca 0.14 1.34 -0.07 0.00 0.04 0.00 0.00 61.00 62.45 1bhm s PRO 79 Cb -0.16 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1bhm s PRO 79 CO 0.11 -0.53 0.23 -0.51 0.04 0.00 0.00 177.00 176.35 1bhm s LEU 80 N -3.71 4.39 0.29 -3.56 1.43 -1.26 -4.91 118.68 111.35 1bhm s LEU 80 Ca 0.67 0.56 0.02 0.00 -1.03 0.00 0.00 54.13 54.34 1bhm s LEU 80 Cb -0.17 -2.46 0.45 0.00 0.03 0.00 0.00 46.19 44.04 1bhm s LEU 80 CO 0.24 0.31 1.79 0.44 0.23 0.00 0.00 176.35 179.36 1bhm h ASP 81 N 4.37 0.58 -0.56 2.29 3.32 -1.97 0.28 116.42 124.73 1bhm h ASP 81 Ca -0.52 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 56.43 1bhm h ASP 81 Cb 1.21 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 1bhm h ASP 81 CO 0.63 0.71 0.37 -0.29 -1.72 0.00 0.00 179.24 178.94 1bhm h ILE 82 N 0.56 1.03 0.01 0.35 6.09 -1.95 -0.02 117.51 123.59 1bhm h ILE 82 Ca 0.11 -0.20 -0.28 0.00 -1.37 0.00 0.00 64.86 63.11 1bhm h ILE 82 Cb 0.48 0.39 -0.04 0.00 0.47 0.00 0.00 36.82 38.12 1bhm h ILE 82 CO 0.03 0.11 -1.56 0.18 -3.07 0.00 0.00 178.15 173.84 1bhm n LEU 83 N -4.47 1.97 -0.08 2.19 4.77 -0.70 0.11 117.00 120.78 1bhm n LEU 83 Ca 0.07 0.38 -0.13 0.00 -0.03 0.00 0.00 56.01 56.30 1bhm n LEU 83 Cb 0.18 -0.96 -0.05 0.00 -2.33 0.00 0.00 43.42 40.27 1bhm n LEU 83 CO 0.35 0.39 0.57 0.11 -1.33 0.00 0.00 177.39 177.47 1bhm h LYS 84 N -0.88 0.63 0.00 3.23 1.57 -0.53 0.64 116.57 121.23 1bhm h LYS 84 Ca -0.42 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 57.96 1bhm h LYS 84 Cb 1.43 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.75 1bhm h LYS 84 CO -0.21 0.94 -0.64 -0.07 -0.57 0.00 0.00 179.45 178.90 1bhm h LEU 85 N 0.34 0.00 0.00 2.94 3.38 -1.46 -3.37 115.31 117.14 1bhm h LEU 85 Ca 0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1bhm h LEU 85 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1bhm h LEU 85 CO 0.07 0.94 -0.00 -0.33 0.09 0.00 0.00 178.44 179.21 1bhm h GLU 86 N -1.00 -0.00 0.00 1.13 5.08 -0.95 -3.37 114.58 115.46 1bhm h GLU 86 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1bhm h GLU 86 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1bhm h GLU 86 CO -0.06 -0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.82 1bhm h LYS 87 N -0.03 0.00 -4.90 2.33 1.57 0.65 -3.47 116.57 112.73 1bhm h LYS 87 Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 1bhm h LYS 87 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1bhm h LYS 87 CO 0.00 0.00 -0.54 0.36 -0.57 0.00 0.00 179.45 178.70 1bhm n LYS 88 N -2.75 -3.63 -3.68 3.15 0.00 0.07 -4.95 118.16 106.36 1bhm n LYS 88 Ca 0.01 0.63 -0.10 0.00 -0.00 0.00 0.00 58.31 58.85 1bhm n LYS 88 Cb 0.25 -5.36 -0.10 0.00 -0.00 0.00 0.00 35.03 29.82 1bhm n LYS 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1bhm s LYS 89 N -5.76 0.50 0.00 -1.58 2.47 -0.33 -4.98 119.74 110.05 1bhm s LYS 89 Ca 0.31 0.92 0.00 0.00 -1.56 0.00 0.00 55.97 55.63 1bhm s LYS 89 Cb -0.15 0.04 0.00 0.00 -1.46 0.00 0.00 37.83 36.26 1bhm s LYS 89 CO 0.38 -0.15 0.00 0.41 0.16 0.00 0.00 175.35 176.15 1bhm n GLY 90 N 4.21 3.41 3.62 5.54 0.00 -1.26 -4.67 105.19 116.02 1bhm n GLY 90 Ca -0.22 -1.80 -0.22 0.00 0.00 0.00 0.00 46.02 43.78 1bhm n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bhm n GLY 91 N -1.05 0.36 3.98 -0.02 0.00 -1.26 -4.69 105.19 102.50 1bhm n GLY 91 Ca 0.00 -1.98 -0.24 0.00 0.00 0.00 0.00 46.02 43.79 1bhm n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bhm s PRO 92 N -5.03 1.67 0.11 1.61 0.04 -1.26 -4.68 135.00 127.45 1bhm s PRO 92 Ca 0.63 -0.91 -0.22 0.00 0.04 0.00 0.00 61.00 60.54 1bhm s PRO 92 Cb -0.03 -2.27 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 1bhm s PRO 92 CO 0.42 -1.49 0.67 0.42 0.04 0.00 0.00 177.00 177.06 1bhm s ILE 93 N -3.22 4.59 0.15 0.56 1.01 -0.14 -4.83 121.20 119.32 1bhm s ILE 93 Ca 0.66 1.45 -0.18 0.00 0.00 0.00 0.00 60.65 62.58 1bhm s ILE 93 Cb -0.06 -4.02 0.04 0.00 0.01 0.00 0.00 42.46 38.43 1bhm s ILE 93 CO 0.45 0.52 1.69 -0.78 0.00 0.00 0.00 174.94 176.82 1bhm h ASP 94 N 4.57 -0.27 -3.64 3.58 3.58 -1.88 -0.76 116.42 121.60 1bhm h ASP 94 Ca -0.48 0.09 -0.28 0.00 0.42 0.00 0.00 57.03 56.78 1bhm h ASP 94 Cb 1.21 0.19 -0.31 0.00 1.72 0.00 0.00 39.33 42.14 1bhm h ASP 94 CO 0.65 -0.10 -0.73 -0.69 -2.88 0.00 0.00 179.24 175.50 1bhm s VAL 95 N -6.21 0.04 0.02 2.25 1.01 -0.43 -2.56 120.40 114.52 1bhm s VAL 95 Ca -0.14 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 1bhm s VAL 95 Cb 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 36.38 36.40 1bhm s VAL 95 CO 0.70 0.06 0.12 -0.47 0.00 0.00 0.00 175.10 175.51 1bhm s TYR 96 N 0.52 0.11 -0.24 5.22 5.04 0.38 -0.65 117.35 127.74 1bhm s TYR 96 Ca -0.05 -0.31 -0.21 0.00 -2.44 0.00 0.00 57.07 54.07 1bhm s TYR 96 Cb -0.07 -0.09 0.06 0.00 0.35 0.00 0.00 41.96 42.22 1bhm s TYR 96 CO -0.01 -0.33 0.63 0.21 -1.34 0.00 0.00 175.55 174.71 1bhm s LYS 97 N -1.96 0.72 -0.24 4.97 2.20 -0.21 -0.34 119.74 124.88 1bhm s LYS 97 Ca -0.10 0.89 -0.12 0.00 -0.36 0.00 0.00 55.97 56.28 1bhm s LYS 97 Cb -0.05 0.34 -0.05 0.00 -1.51 0.00 0.00 37.83 36.56 1bhm s LYS 97 CO -0.01 -0.09 0.23 -1.21 -0.36 0.00 0.00 175.35 173.91 1bhm s GLU 98 N 0.42 4.06 -0.39 4.03 2.02 -1.26 -2.09 118.70 125.50 1bhm s GLU 98 Ca -0.01 -0.16 -0.15 0.00 0.02 0.00 0.00 54.97 54.67 1bhm s GLU 98 Cb -0.04 -3.57 0.01 0.00 0.10 0.00 0.00 34.13 30.62 1bhm s GLU 98 CO -0.01 -0.03 0.32 -0.06 0.02 0.00 0.00 175.26 175.51 1bhm s PHE 99 N 1.32 3.22 -0.13 1.61 0.40 0.35 -4.87 117.98 119.88 1bhm s PHE 99 Ca 0.10 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1bhm s PHE 99 Cb -0.14 -2.64 -0.01 0.00 0.51 0.00 0.00 43.02 40.74 1bhm s PHE 99 CO 0.07 -0.53 -0.14 0.42 0.70 0.00 0.00 175.22 175.74 1bhm s ILE 100 N 1.83 2.94 -0.29 0.64 1.01 -1.26 0.28 121.20 126.35 1bhm s ILE 100 Ca 0.08 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1bhm s ILE 100 Cb -0.18 -2.23 0.20 0.00 0.01 0.00 0.00 42.46 40.26 1bhm s ILE 100 CO 0.11 0.52 0.65 -1.61 0.00 0.00 0.00 174.94 174.62 1bhm s GLU 101 N 0.44 0.51 6.95 2.79 8.01 0.81 -4.98 118.70 133.22 1bhm s GLU 101 Ca -0.10 0.60 0.00 0.00 0.01 0.00 0.00 54.97 55.47 1bhm s GLU 101 Cb -0.16 0.29 0.00 0.00 -4.31 0.00 0.00 34.13 29.96 1bhm s GLU 101 CO 0.05 -0.85 0.00 0.27 0.01 0.00 0.00 175.26 174.74 1bhm n ASN 102 N 5.39 0.00 -1.37 -0.19 0.23 -1.26 -2.35 115.26 115.71 1bhm n ASN 102 Ca 0.04 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.16 1bhm n ASN 102 Cb 0.54 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.53 1bhm n ASN 102 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1bhm n SER 103 N 7.89 4.02 -4.61 0.53 2.88 -1.26 -4.93 113.62 118.14 1bhm n SER 103 Ca 0.00 -2.38 -0.33 0.00 -1.33 0.00 0.00 58.87 54.84 1bhm n SER 103 Cb 0.00 -0.53 -0.10 0.00 -0.75 0.00 0.00 64.21 62.83 1bhm n SER 103 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1bhm s GLU 104 N -1.81 2.66 -0.04 -1.46 2.02 -0.99 -5.11 118.70 113.97 1bhm s GLU 104 Ca 0.42 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.78 1bhm s GLU 104 Cb 0.27 -2.57 0.02 0.00 0.10 0.00 0.00 34.13 31.96 1bhm s GLU 104 CO 0.20 0.63 -0.03 -0.48 0.02 0.00 0.00 175.26 175.59 1bhm s LEU 105 N -1.26 1.31 -0.09 1.80 0.05 -1.23 -0.14 118.68 119.12 1bhm s LEU 105 Ca 0.16 -0.10 0.03 0.00 0.05 0.00 0.00 54.13 54.27 1bhm s LEU 105 Cb -0.11 -0.38 0.01 0.00 -2.05 0.00 0.00 46.19 43.65 1bhm s LEU 105 CO 0.06 -0.06 -0.17 -0.54 -0.55 0.00 0.00 176.35 175.09 1bhm s LYS 106 N 0.90 2.31 -0.24 1.48 -0.14 0.80 -4.89 119.74 119.95 1bhm s LYS 106 Ca -0.11 -0.61 -0.07 0.00 -1.36 0.00 0.00 55.97 53.82 1bhm s LYS 106 Cb -0.14 -1.85 -0.03 0.00 -1.68 0.00 0.00 37.83 34.13 1bhm s LYS 106 CO -0.00 0.05 0.05 1.03 -0.76 0.00 0.00 175.35 175.72 1bhm s ARG 107 N 0.66 3.64 -0.06 1.68 0.52 -1.26 0.13 118.95 124.25 1bhm s ARG 107 Ca -0.14 -0.49 0.05 0.00 -0.52 0.00 0.00 55.73 54.63 1bhm s ARG 107 Cb -0.16 -3.27 -0.00 0.00 0.52 0.00 0.00 34.95 32.04 1bhm s ARG 107 CO 0.04 -0.16 -0.20 0.08 0.02 0.00 0.00 175.30 175.08 1bhm s VAL 108 N 1.50 1.67 0.08 3.52 1.01 -0.89 0.15 120.40 127.45 1bhm s VAL 108 Ca 0.06 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.29 1bhm s VAL 108 Cb -0.15 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1bhm s VAL 108 CO 0.03 0.47 -0.26 -0.83 0.00 0.00 0.00 175.10 174.51 1bhm s GLY 109 N 0.05 1.49 -0.09 4.51 0.00 -0.95 -1.04 107.32 111.30 1bhm s GLY 109 Ca -0.06 -1.35 -0.12 0.00 0.00 0.00 0.00 44.72 43.18 1bhm s GLY 109 CO 0.03 -1.28 0.32 -0.29 0.00 0.00 0.00 173.10 171.88 1bhm s MET 110 N -1.62 0.48 -0.18 2.90 1.75 0.18 -2.54 119.30 120.26 1bhm s MET 110 Ca 0.13 0.24 0.01 0.00 -1.25 0.00 0.00 55.69 54.82 1bhm s MET 110 Cb -0.10 0.22 0.02 0.00 2.84 0.00 0.00 34.83 37.82 1bhm s MET 110 CO 0.04 -0.09 -0.19 -1.21 -0.65 0.00 0.00 175.02 172.92 1bhm s GLU 111 N -0.33 2.85 -0.84 4.11 0.41 -0.72 -1.31 118.70 122.87 1bhm s GLU 111 Ca -0.05 -0.84 -0.16 0.00 -0.41 0.00 0.00 54.97 53.51 1bhm s GLU 111 Cb -0.03 -2.54 0.17 0.00 -1.78 0.00 0.00 34.13 29.95 1bhm s GLU 111 CO 0.02 -0.24 0.90 0.12 -0.49 0.00 0.00 175.26 175.56 1bhm s PHE 112 N 1.30 3.44 -0.33 1.61 2.19 -1.26 -1.96 117.98 122.97 1bhm s PHE 112 Ca 0.04 -1.66 -0.21 0.00 0.33 0.00 0.00 56.93 55.43 1bhm s PHE 112 Cb -0.14 -4.02 -0.00 0.00 -1.31 0.00 0.00 43.02 37.56 1bhm s PHE 112 CO -0.12 -1.21 0.67 -1.21 1.83 0.00 0.00 175.22 175.18 1bhm s GLU 113 N 1.39 3.81 -0.01 10.12 0.41 -0.73 -4.82 118.70 128.88 1bhm s GLU 113 Ca 0.23 0.25 0.01 0.00 -0.41 0.00 0.00 54.97 55.05 1bhm s GLU 113 Cb -0.10 -3.77 0.02 0.00 -1.78 0.00 0.00 34.13 28.50 1bhm s GLU 113 CO -0.08 -0.68 0.89 0.25 -0.49 0.00 0.00 175.26 175.15 1bhm n THR 114 N 5.53 0.78 -1.99 3.63 -2.24 -1.26 -4.54 114.28 114.18 1bhm n THR 114 Ca -0.00 -0.80 -0.13 0.00 -2.27 0.00 0.00 64.05 60.84 1bhm n THR 114 Cb 0.49 0.58 0.08 0.00 -2.10 0.00 0.00 70.33 69.38 1bhm n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bhm n GLY 115 N -0.42 -0.23 3.52 3.38 0.00 -1.26 -4.61 105.19 105.57 1bhm n GLY 115 Ca 0.01 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 1bhm n GLY 115 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bhm n ASN 116 N -3.18 -0.46 -0.01 1.61 2.85 -1.26 -0.76 115.26 114.04 1bhm n ASN 116 Ca 0.09 0.67 0.20 0.00 -0.11 0.00 0.00 54.58 55.43 1bhm n ASN 116 Cb 0.30 -1.28 0.67 0.00 1.24 0.00 0.00 39.78 40.72 1bhm n ASN 116 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 1bhm h ILE 117 N -0.08 0.74 -0.29 -1.44 6.09 -1.56 0.66 117.51 121.63 1bhm h ILE 117 Ca -0.46 -0.01 -0.04 0.00 -1.37 0.00 0.00 64.86 62.98 1bhm h ILE 117 Cb 1.36 0.70 -0.02 0.00 0.47 0.00 0.00 36.82 39.33 1bhm h ILE 117 CO 0.46 0.01 0.02 0.77 -3.07 0.00 0.00 178.15 176.34 1bhm h SER 118 N 0.04 0.39 -0.69 2.19 4.64 -1.87 -2.60 113.55 115.65 1bhm h SER 118 Ca 0.26 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 1bhm h SER 118 Cb 0.99 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 1bhm h SER 118 CO -0.01 0.44 0.25 -1.28 -0.87 0.00 0.00 176.83 175.36 1bhm h SER 119 N 0.42 0.99 -0.67 4.97 0.87 -1.18 -2.68 113.55 116.27 1bhm h SER 119 Ca 0.10 -0.16 0.14 0.00 -1.23 0.00 0.00 61.79 60.64 1bhm h SER 119 Cb 0.24 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.90 1bhm h SER 119 CO 0.00 0.90 0.46 0.00 -0.53 0.00 0.00 176.83 177.66 1bhm h ALA 120 N 1.23 2.20 -0.13 6.23 0.00 -1.47 0.73 119.26 128.05 1bhm h ALA 120 Ca 0.23 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.91 1bhm h ALA 120 Cb 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1bhm h ALA 120 CO -0.01 -0.38 -0.81 0.45 0.00 0.00 0.00 179.25 178.50 1bhm h HIS 121 N 0.31 1.04 -0.13 0.00 3.86 -1.56 -0.53 115.15 118.14 1bhm h HIS 121 Ca 0.33 -0.47 0.02 0.00 -1.16 0.00 0.00 60.37 59.08 1bhm h HIS 121 Cb 0.84 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 1bhm h HIS 121 CO -0.00 1.31 0.02 -0.09 0.86 0.00 0.00 177.93 180.02 1bhm h ARG 122 N 0.51 0.07 -0.93 2.45 2.43 -0.86 -1.56 114.38 116.50 1bhm h ARG 122 Ca -0.06 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1bhm h ARG 122 Cb 1.44 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.93 1bhm h ARG 122 CO 0.16 0.05 0.60 0.77 -1.51 0.00 0.00 179.97 180.04 1bhm h SER 123 N 0.07 1.07 -0.41 -3.80 0.02 -0.96 -0.62 113.55 108.92 1bhm h SER 123 Ca 0.06 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1bhm h SER 123 Cb 0.06 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1bhm h SER 123 CO -0.09 0.79 -0.06 -0.03 -1.14 0.00 0.00 176.83 176.30 1bhm h MET 124 N 1.26 0.76 -0.31 3.45 1.85 -0.96 -2.20 114.93 118.78 1bhm h MET 124 Ca 0.34 -0.28 -0.17 0.00 -0.61 0.00 0.00 59.70 58.98 1bhm h MET 124 Cb -0.13 -0.05 -0.00 0.00 0.43 0.00 0.00 31.60 31.85 1bhm h MET 124 CO -0.07 0.88 -0.48 -0.91 -0.40 0.00 0.00 176.91 175.93 1bhm h ASN 125 N 0.59 0.96 -0.54 1.39 -0.26 -1.09 -0.01 115.58 116.62 1bhm h ASN 125 Ca 0.11 -0.51 -0.04 0.00 -0.56 0.00 0.00 56.30 55.29 1bhm h ASN 125 Cb 0.58 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.54 1bhm h ASN 125 CO 0.03 1.29 0.17 0.50 -1.06 0.00 0.00 177.43 178.37 1bhm h LYS 126 N 0.67 0.84 -0.28 0.81 3.64 -1.11 -0.53 116.57 120.61 1bhm h LYS 126 Ca 0.03 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.16 1bhm h LYS 126 Cb 1.09 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 1bhm h LYS 126 CO 0.11 0.76 -0.11 -0.07 -2.27 0.00 0.00 179.45 177.87 1bhm h LEU 127 N 0.75 0.44 -0.82 5.20 3.38 -1.23 -2.10 115.31 120.92 1bhm h LEU 127 Ca 0.17 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1bhm h LEU 127 Cb 0.27 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1bhm h LEU 127 CO -0.01 0.60 -0.16 0.25 0.09 0.00 0.00 178.44 179.21 1bhm h LEU 128 N 0.43 0.71 -0.48 1.67 5.85 -0.63 -1.54 115.31 121.31 1bhm h LEU 128 Ca 0.08 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1bhm h LEU 128 Cb 0.46 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1bhm h LEU 128 CO 0.03 0.87 0.15 0.25 -0.34 0.00 0.00 178.44 179.39 1bhm h LEU 129 N 0.64 0.71 -1.04 2.25 5.85 -0.78 0.81 115.31 123.73 1bhm h LEU 129 Ca 0.10 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 1bhm h LEU 129 Cb 0.63 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1bhm h LEU 129 CO 0.04 0.73 -0.17 1.23 -0.34 0.00 0.00 178.44 179.93 1bhm h GLY 130 N 0.65 0.52 0.73 3.75 0.00 -1.13 -1.80 103.07 105.79 1bhm h GLY 130 Ca 0.16 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1bhm h GLY 130 CO -0.00 0.35 -0.06 1.41 0.00 0.00 0.00 176.54 178.24 1bhm h LEU 131 N 0.44 0.27 -1.66 3.11 3.38 -0.98 0.34 115.31 120.20 1bhm h LEU 131 Ca 0.08 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.65 1bhm h LEU 131 Cb 0.55 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1bhm h LEU 131 CO 0.04 0.62 0.25 0.11 0.09 0.00 0.00 178.44 179.55 1bhm h LYS 132 N -0.08 0.44 -0.33 1.13 1.57 -0.75 -1.41 116.57 117.16 1bhm h LYS 132 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bhm h LYS 132 Cb 0.52 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1bhm h LYS 132 CO 0.02 0.29 0.00 0.72 -0.57 0.00 0.00 179.45 179.91 1bhm n HIS 133 N -4.48 0.43 -1.11 -1.35 8.25 -0.68 -4.94 115.22 111.33 1bhm n HIS 133 Ca 0.03 -0.21 -0.04 0.00 -0.26 0.00 0.00 57.72 57.24 1bhm n HIS 133 Cb 0.10 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 1bhm n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bhm n GLY 134 N 1.28 0.64 0.15 -1.41 0.00 -0.53 -4.88 105.19 100.43 1bhm n GLY 134 Ca 0.17 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1bhm n GLY 134 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bhm h GLU 135 N 0.32 0.00 -4.08 1.61 5.08 -1.18 -3.46 114.58 112.87 1bhm h GLU 135 Ca -0.08 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1bhm h GLU 135 Cb 0.44 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.53 1bhm h GLU 135 CO 0.11 0.00 -0.62 0.96 -1.00 0.00 0.00 179.01 178.47 1bhm s ILE 136 N -3.22 0.18 -0.03 3.13 -4.36 -1.19 -4.90 121.20 110.82 1bhm s ILE 136 Ca 0.06 -1.49 0.18 0.00 -0.26 0.00 0.00 60.65 59.13 1bhm s ILE 136 Cb 0.09 -1.23 -0.28 0.00 1.25 0.00 0.00 42.46 42.29 1bhm s ILE 136 CO 0.69 -0.83 0.38 0.47 0.24 0.00 0.00 174.94 175.90 1bhm n ASP 137 N 0.39 0.88 -3.83 4.36 8.00 0.39 -4.53 116.55 122.20 1bhm n ASP 137 Ca -0.16 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.22 1bhm n ASP 137 Cb 0.60 1.79 -0.12 0.00 -0.02 0.00 0.00 41.12 43.38 1bhm n ASP 137 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1bhm s LEU 138 N -4.28 1.43 -0.01 0.64 2.96 -1.02 -4.74 118.68 113.64 1bhm s LEU 138 Ca -0.07 0.16 0.06 0.00 -0.22 0.00 0.00 54.13 54.06 1bhm s LEU 138 Cb 0.11 0.61 -0.02 0.00 0.50 0.00 0.00 46.19 47.39 1bhm s LEU 138 CO 0.75 -0.16 -0.21 0.00 -1.32 0.00 0.00 176.35 175.41 1bhm s ALA 139 N -0.40 1.72 0.00 5.97 0.00 -1.13 -2.24 121.76 125.68 1bhm s ALA 139 Ca -0.05 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1bhm s ALA 139 Cb -0.03 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1bhm s ALA 139 CO 0.01 0.42 -0.03 0.42 0.00 0.00 0.00 175.76 176.57 1bhm s ILE 140 N -0.50 0.26 -0.07 0.00 1.01 -1.05 -1.59 121.20 119.25 1bhm s ILE 140 Ca 0.08 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.48 1bhm s ILE 140 Cb -0.08 -0.25 0.01 0.00 0.01 0.00 0.00 42.46 42.16 1bhm s ILE 140 CO -0.01 -0.01 -0.13 -0.63 0.00 0.00 0.00 174.94 174.16 1bhm s ILE 141 N -0.29 1.20 -0.12 2.92 1.01 0.59 -1.76 121.20 124.75 1bhm s ILE 141 Ca -0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 1bhm s ILE 141 Cb -0.03 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 1bhm s ILE 141 CO -0.00 0.37 -0.07 -0.76 0.00 0.00 0.00 174.94 174.48 1bhm s LEU 142 N 0.72 3.08 0.12 2.97 1.43 -0.83 -1.48 118.68 124.69 1bhm s LEU 142 Ca -0.13 -0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 52.66 1bhm s LEU 142 Cb -0.16 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.38 1bhm s LEU 142 CO 0.03 0.22 0.37 0.00 0.23 0.00 0.00 176.35 177.20 1bhm s MET 143 N 0.04 1.03 0.63 1.70 0.23 -0.37 -1.77 119.30 120.79 1bhm s MET 143 Ca -0.01 -0.72 -0.15 0.00 -1.03 0.00 0.00 55.69 53.78 1bhm s MET 143 Cb -0.14 0.45 -0.02 0.00 -1.53 0.00 0.00 34.83 33.59 1bhm s MET 143 CO 0.03 -0.39 1.08 -1.25 -2.03 0.00 0.00 175.02 172.46 1bhm s PRO 144 N -3.73 3.07 0.66 3.16 0.04 -1.26 -1.22 135.00 135.72 1bhm s PRO 144 Ca 0.03 1.25 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 1bhm s PRO 144 Cb 0.02 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.63 1bhm s PRO 144 CO -0.11 -1.02 0.94 0.96 0.04 0.00 0.00 177.00 177.81 1bhm s ILE 145 N -2.47 2.38 0.35 0.56 -4.36 -0.51 -0.53 121.20 116.62 1bhm s ILE 145 Ca 0.64 -0.44 0.08 0.00 -0.26 0.00 0.00 60.65 60.67 1bhm s ILE 145 Cb -0.17 -2.94 0.31 0.00 1.25 0.00 0.00 42.46 40.91 1bhm s ILE 145 CO 0.40 0.00 1.89 0.50 0.24 0.00 0.00 174.94 177.98 1bhm h LYS 146 N -0.40 0.71 -0.50 0.37 3.64 -1.91 0.03 116.57 118.50 1bhm h LYS 146 Ca -0.42 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1bhm h LYS 146 Cb 1.30 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1bhm h LYS 146 CO 0.54 0.47 0.22 0.37 -2.27 0.00 0.00 179.45 178.78 1bhm h GLN 147 N 0.73 0.73 -0.00 1.90 4.15 -1.96 -0.87 115.11 119.79 1bhm h GLN 147 Ca 0.41 -0.12 -0.11 0.00 0.77 0.00 0.00 58.65 59.61 1bhm h GLN 147 Cb 0.58 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 28.16 1bhm h GLN 147 CO -0.18 0.62 -0.41 1.25 -1.93 0.00 0.00 178.83 178.19 1bhm h LEU 148 N 0.66 0.36 -1.97 -2.39 5.85 -1.79 -3.21 115.31 112.82 1bhm h LEU 148 Ca 0.17 -0.77 0.17 0.00 0.84 0.00 0.00 57.88 58.29 1bhm h LEU 148 Cb 0.15 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1bhm h LEU 148 CO -0.02 1.09 0.50 0.00 -0.34 0.00 0.00 178.44 179.67 1bhm h ALA 149 N 0.28 2.41 -0.11 1.25 0.00 -0.85 0.11 119.26 122.35 1bhm h ALA 149 Ca -0.05 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1bhm h ALA 149 Cb 1.15 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1bhm h ALA 149 CO 0.08 -0.80 0.11 -0.92 0.00 0.00 0.00 179.25 177.72 1bhm h TYR 150 N 0.00 0.00 -0.07 0.00 3.20 -1.15 0.31 116.97 119.25 1bhm h TYR 150 Ca 0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1bhm h TYR 150 Cb 1.28 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.55 1bhm h TYR 150 CO 0.00 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.18 1bhm n TYR 151 N -3.95 0.06 -2.96 -3.82 4.01 0.39 -0.11 117.16 110.79 1bhm n TYR 151 Ca -0.00 -0.03 -0.18 0.00 -0.16 0.00 0.00 57.90 57.52 1bhm n TYR 151 Cb 0.22 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.28 1bhm n TYR 151 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1bhm s LEU 152 N -1.93 3.43 0.26 7.72 1.43 0.10 -0.27 118.68 129.42 1bhm s LEU 152 Ca 0.31 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 1bhm s LEU 152 Cb 0.20 -2.35 -0.14 0.00 0.03 0.00 0.00 46.19 43.93 1bhm s LEU 152 CO 0.31 -1.02 1.00 0.35 0.23 0.00 0.00 176.35 177.22 1bhm n THR 153 N -2.06 1.82 -1.68 5.49 -2.24 -0.72 -3.80 114.28 111.09 1bhm n THR 153 Ca 0.11 -0.46 -0.44 0.00 -2.27 0.00 0.00 64.05 60.99 1bhm n THR 153 Cb 0.60 -0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 67.90 1bhm n THR 153 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1bhm n ASP 154 N 1.41 2.81 -1.08 3.42 2.03 -1.26 -3.05 116.55 120.83 1bhm n ASP 154 Ca 0.11 1.15 -0.11 0.00 0.52 0.00 0.00 54.79 56.47 1bhm n ASP 154 Cb 0.30 -1.45 -0.02 0.00 -0.72 0.00 0.00 41.12 39.23 1bhm n ASP 154 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1bhm n ARG 155 N 1.75 -0.82 -2.13 -0.67 5.12 -1.26 -4.97 116.66 113.68 1bhm n ARG 155 Ca 0.10 0.67 -0.32 0.00 -1.93 0.00 0.00 57.85 56.37 1bhm n ARG 155 Cb 0.33 -4.72 -0.00 0.00 -1.16 0.00 0.00 32.46 26.90 1bhm n ARG 155 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1bhm s VAL 156 N -2.49 4.18 0.14 1.55 -7.23 -1.17 -1.76 120.40 113.63 1bhm s VAL 156 Ca 0.00 0.98 -0.34 0.00 -1.81 0.00 0.00 61.98 60.81 1bhm s VAL 156 Cb 0.00 -3.55 -0.16 0.00 0.56 0.00 0.00 36.38 33.23 1bhm s VAL 156 CO 0.00 -0.66 1.32 0.41 -0.31 0.00 0.00 175.10 175.85 1bhm n THR 157 N -2.01 0.41 -4.11 5.32 -1.04 0.06 -4.43 114.28 108.47 1bhm n THR 157 Ca 0.08 -0.10 -0.14 0.00 -2.04 0.00 0.00 64.05 61.84 1bhm n THR 157 Cb 0.53 -0.99 -0.12 0.00 -1.82 0.00 0.00 70.33 67.93 1bhm n THR 157 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1bhm s ASN 158 N 0.35 0.86 0.19 8.00 2.20 -1.26 -4.19 114.94 121.09 1bhm s ASN 158 Ca 0.78 -0.42 -0.19 0.00 -0.94 0.00 0.00 52.86 52.09 1bhm s ASN 158 Cb -0.85 -0.00 0.14 0.00 -2.00 0.00 0.00 41.25 38.53 1bhm s ASN 158 CO 0.48 -0.11 1.60 0.15 -2.94 0.00 0.00 177.10 176.28 1bhm h PHE 159 N 4.94 -0.73 0.00 1.54 3.04 -1.10 -2.50 116.94 122.14 1bhm h PHE 159 Ca -0.34 0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.67 1bhm h PHE 159 Cb 1.20 0.40 -0.00 0.00 2.56 0.00 0.00 35.95 40.11 1bhm h PHE 159 CO 0.57 -0.35 -0.01 0.93 -2.02 0.00 0.00 178.31 177.43 1bhm h GLU 160 N -0.14 0.00 0.00 1.11 3.07 -1.95 0.16 114.58 116.83 1bhm h GLU 160 Ca 0.23 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.99 1bhm h GLU 160 Cb 0.52 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1bhm h GLU 160 CO -0.62 0.01 -0.84 1.49 -1.40 0.00 0.00 179.01 177.65 1bhm h GLU 161 N 0.00 0.00 0.00 2.33 4.81 -1.86 -3.30 114.58 116.56 1bhm h GLU 161 Ca -0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 1bhm h GLU 161 Cb 0.04 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 1bhm h GLU 161 CO 0.00 0.34 -1.69 -0.11 -0.73 0.00 0.00 179.01 176.82 1bhm n LEU 162 N -3.04 0.88 -0.33 1.64 7.94 -0.91 -4.36 117.00 118.82 1bhm n LEU 162 Ca -0.02 0.42 0.25 0.00 -1.11 0.00 0.00 56.01 55.54 1bhm n LEU 162 Cb 0.74 0.16 0.47 0.00 0.53 0.00 0.00 43.42 45.32 1bhm n LEU 162 CO 0.41 0.37 0.97 -0.08 -1.11 0.00 0.00 177.39 177.95 1bhm h GLU 163 N 0.00 0.03 0.00 1.96 4.81 -1.06 0.17 114.58 120.49 1bhm h GLU 163 Ca -0.28 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1bhm h GLU 163 Cb 1.99 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.37 1bhm h GLU 163 CO 0.08 0.02 0.00 -2.30 -0.73 0.00 0.00 179.01 176.08 1bhm n PRO 164 N -5.33 0.17 -0.17 0.92 -0.01 -1.26 -2.23 135.00 127.09 1bhm n PRO 164 Ca 0.32 0.51 0.12 0.00 -0.01 0.00 0.00 63.50 64.44 1bhm n PRO 164 Cb 1.06 -1.90 0.21 0.00 -0.01 0.00 0.00 33.50 32.86 1bhm n PRO 164 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 1bhm n TYR 165 N -2.23 0.45 -0.17 6.00 4.02 0.60 -4.51 117.16 121.32 1bhm n TYR 165 Ca 0.01 -0.23 0.08 0.00 -0.01 0.00 0.00 57.90 57.75 1bhm n TYR 165 Cb 0.14 0.00 0.38 0.00 -0.02 0.00 0.00 39.34 39.85 1bhm n TYR 165 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1bhm h PHE 166 N 4.48 0.71 0.00 -0.72 0.04 -1.49 -1.27 116.94 118.69 1bhm h PHE 166 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1bhm h PHE 166 Cb 0.98 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.90 1bhm h PHE 166 CO 0.23 0.36 0.00 -0.85 -0.60 0.00 0.00 178.31 177.44 1bhm n GLU 167 N -4.49 0.03 0.01 1.51 0.28 -1.26 -0.96 120.64 115.76 1bhm n GLU 167 Ca 0.11 0.51 0.12 0.00 -0.16 0.00 0.00 57.16 57.74 1bhm n GLU 167 Cb 0.28 -1.58 0.53 0.00 1.43 0.00 0.00 31.44 32.10 1bhm n GLU 167 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1bhm n LEU 168 N -1.63 0.07 -0.68 -1.84 4.77 -0.48 -2.86 117.00 114.36 1bhm n LEU 168 Ca -0.00 0.51 0.09 0.00 -0.03 0.00 0.00 56.01 56.58 1bhm n LEU 168 Cb 0.02 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 40.68 1bhm n LEU 168 CO 0.03 -0.09 0.50 0.35 -1.33 0.00 0.00 177.39 176.85 1bhm n THR 169 N -1.57 0.00 -1.54 -5.08 -2.24 -0.13 -5.01 114.28 98.71 1bhm n THR 169 Ca 0.06 -0.48 -0.48 0.00 -2.27 0.00 0.00 64.05 60.88 1bhm n THR 169 Cb 0.30 1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.85 1bhm n THR 169 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bhm n GLU 170 N 0.87 0.90 -0.67 -0.78 1.02 -1.13 -0.06 120.64 120.79 1bhm n GLU 170 Ca 0.10 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1bhm n GLU 170 Cb 0.44 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1bhm n GLU 170 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bhm n GLY 171 N 1.76 1.02 3.31 0.62 0.00 -1.26 -5.02 105.19 105.63 1bhm n GLY 171 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1bhm n GLY 171 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1bhm s GLN 172 N -0.25 1.20 -0.51 1.61 2.00 0.91 -5.00 119.66 119.62 1bhm s GLN 172 Ca 0.00 -1.25 -0.28 0.00 -2.00 0.00 0.00 55.36 51.83 1bhm s GLN 172 Cb 0.00 -1.45 0.02 0.00 0.80 0.00 0.00 33.01 32.38 1bhm s GLN 172 CO 0.00 0.33 1.32 -1.25 -0.50 0.00 0.00 175.29 175.19 1bhm s PRO 173 N -2.15 3.49 0.05 1.67 0.04 -1.26 -4.56 135.00 132.27 1bhm s PRO 173 Ca 0.10 0.56 0.01 0.00 0.04 0.00 0.00 61.00 61.70 1bhm s PRO 173 Cb -0.09 -4.04 -0.03 0.00 0.04 0.00 0.00 34.50 30.38 1bhm s PRO 173 CO 0.05 -1.70 -0.05 0.12 0.04 0.00 0.00 177.00 175.47 1bhm s PHE 174 N 5.41 0.59 -0.03 0.56 2.19 -1.26 -2.83 117.98 122.61 1bhm s PHE 174 Ca 0.52 -0.79 -0.00 0.00 0.33 0.00 0.00 56.93 56.98 1bhm s PHE 174 Cb -0.10 -0.38 0.03 0.00 -1.31 0.00 0.00 43.02 41.26 1bhm s PHE 174 CO 0.28 -0.22 0.03 0.42 1.83 0.00 0.00 175.22 177.57 1bhm s ILE 175 N -2.77 -0.03 -0.12 3.12 1.01 -0.62 -1.46 121.20 120.33 1bhm s ILE 175 Ca -0.00 0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.92 1bhm s ILE 175 Cb -0.00 -0.13 -0.00 0.00 0.01 0.00 0.00 42.46 42.33 1bhm s ILE 175 CO -0.04 0.12 -0.20 -0.36 0.00 0.00 0.00 174.94 174.46 1bhm s PHE 176 N 1.37 2.66 -0.05 3.97 0.40 -0.71 -0.30 117.98 125.33 1bhm s PHE 176 Ca -0.05 -1.05 0.03 0.00 -0.60 0.00 0.00 56.93 55.25 1bhm s PHE 176 Cb -0.13 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1bhm s PHE 176 CO -0.03 -0.44 -0.14 0.42 0.70 0.00 0.00 175.22 175.73 1bhm s ILE 177 N 0.53 1.20 -0.19 0.64 1.01 -0.55 -1.13 121.20 122.73 1bhm s ILE 177 Ca -0.13 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 1bhm s ILE 177 Cb -0.17 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.24 1bhm s ILE 177 CO 0.04 0.36 -0.13 -0.83 0.00 0.00 0.00 174.94 174.39 1bhm s GLY 178 N 0.30 1.50 0.24 6.18 0.00 0.12 -1.24 107.32 114.44 1bhm s GLY 178 Ca -0.08 -1.14 0.02 0.00 0.00 0.00 0.00 44.72 43.52 1bhm s GLY 178 CO 0.03 0.24 0.41 -0.11 0.00 0.00 0.00 173.10 173.67 1bhm s PHE 179 N 1.19 3.48 0.10 1.90 -0.12 -0.36 -0.81 117.98 123.36 1bhm s PHE 179 Ca 0.02 0.19 0.03 0.00 -0.05 0.00 0.00 56.93 57.12 1bhm s PHE 179 Cb -0.14 -1.74 -0.04 0.00 -0.63 0.00 0.00 43.02 40.47 1bhm s PHE 179 CO -0.05 0.35 -0.09 1.21 -0.05 0.00 0.00 175.22 176.59 1bhm s ASN 180 N -3.68 1.38 0.49 1.98 2.47 0.59 -1.43 114.94 116.74 1bhm s ASN 180 Ca 0.37 -0.88 -0.19 0.00 0.42 0.00 0.00 52.86 52.57 1bhm s ASN 180 Cb -0.10 0.03 -0.08 0.00 -1.45 0.00 0.00 41.25 39.65 1bhm s ASN 180 CO 0.31 -0.33 1.01 0.00 -3.72 0.00 0.00 177.10 174.37 1bhm s ALA 181 N -2.85 2.92 0.10 1.71 0.00 -1.26 -0.08 121.76 122.31 1bhm s ALA 181 Ca 0.08 0.46 0.19 0.00 0.00 0.00 0.00 51.96 52.69 1bhm s ALA 181 Cb -0.00 -3.20 0.61 0.00 0.00 0.00 0.00 23.12 20.52 1bhm s ALA 181 CO -0.01 -0.25 1.69 0.93 0.00 0.00 0.00 175.76 178.12 1bhm h GLU 182 N 1.40 0.00 -2.46 0.00 3.07 -1.43 -3.45 114.58 111.71 1bhm h GLU 182 Ca -0.49 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 58.52 1bhm h GLU 182 Cb 1.20 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.03 1bhm h GLU 182 CO 0.60 0.38 0.43 0.00 -1.40 0.00 0.00 179.01 179.02 1bhm s ALA 183 N -3.49 -1.61 -0.09 3.43 0.00 -1.11 -5.01 121.76 113.88 1bhm s ALA 183 Ca 0.01 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1bhm s ALA 183 Cb 0.10 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.88 1bhm s ALA 183 CO 0.69 -0.98 -0.19 0.71 0.00 0.00 0.00 175.76 175.99 1bhm s TYR 184 N -3.38 2.11 -0.28 0.00 1.51 -1.26 -0.90 117.35 115.15 1bhm s TYR 184 Ca 0.10 -0.84 -0.20 0.00 -1.01 0.00 0.00 57.07 55.12 1bhm s TYR 184 Cb -0.02 -1.45 0.08 0.00 -0.11 0.00 0.00 41.96 40.46 1bhm s TYR 184 CO 0.01 -0.36 0.74 1.21 -1.11 0.00 0.00 175.55 176.03 1bhm s ASN 185 N 0.48 -0.81 0.00 2.29 3.84 -0.49 -4.88 114.94 115.36 1bhm s ASN 185 Ca -0.17 1.41 0.17 0.00 0.21 0.00 0.00 52.86 54.48 1bhm s ASN 185 Cb -0.17 1.38 1.04 0.00 -0.55 0.00 0.00 41.25 42.95 1bhm s ASN 185 CO 0.07 -0.23 1.49 -1.54 -2.79 0.00 0.00 177.10 174.10 1bhm n SER 186 N 3.52 0.00 -0.58 -4.21 3.41 -1.26 -3.43 113.62 111.06 1bhm n SER 186 Ca -0.17 -0.86 0.12 0.00 -0.26 0.00 0.00 58.87 57.69 1bhm n SER 186 Cb 0.57 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.60 1bhm n SER 186 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bhm n ASN 187 N -0.89 2.15 -4.94 4.04 3.02 -1.26 -4.91 115.26 112.47 1bhm n ASN 187 Ca 0.13 -1.58 -0.24 0.00 -0.03 0.00 0.00 54.58 52.87 1bhm n ASN 187 Cb 0.06 0.32 -0.01 0.00 -0.61 0.00 0.00 39.78 39.54 1bhm n ASN 187 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1bhm s VAL 188 N -2.35 5.00 0.64 2.41 -7.23 -1.22 -5.05 120.40 112.61 1bhm s VAL 188 Ca 0.22 -0.44 -0.16 0.00 -1.81 0.00 0.00 61.98 59.79 1bhm s VAL 188 Cb 0.19 -3.83 -0.01 0.00 0.56 0.00 0.00 36.38 33.29 1bhm s VAL 188 CO 0.49 -0.55 1.15 -2.84 -0.31 0.00 0.00 175.10 173.04 1bhm s PRO 189 N -4.36 2.80 0.33 4.82 0.02 -1.26 -4.61 135.00 132.75 1bhm s PRO 189 Ca 0.41 1.57 -0.27 0.00 0.02 0.00 0.00 61.00 62.73 1bhm s PRO 189 Cb -0.10 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 1bhm s PRO 189 CO 0.37 -1.28 1.09 -0.51 -0.33 0.00 0.00 177.00 176.33 1bhm s LEU 190 N -4.59 4.37 -0.16 -5.54 1.43 -1.26 -4.50 118.68 108.43 1bhm s LEU 190 Ca 0.71 2.19 -0.28 0.00 -1.03 0.00 0.00 54.13 55.72 1bhm s LEU 190 Cb -0.24 -3.86 -0.01 0.00 0.03 0.00 0.00 46.19 42.11 1bhm s LEU 190 CO 0.38 -0.31 0.96 -0.63 0.23 0.00 0.00 176.35 176.97 1bhm s ILE 191 N -1.36 4.79 0.77 -0.59 1.01 -1.26 -4.98 121.20 119.57 1bhm s ILE 191 Ca 0.50 1.90 -0.12 0.00 0.00 0.00 0.00 60.65 62.94 1bhm s ILE 191 Cb -0.28 -4.25 0.06 0.00 0.01 0.00 0.00 42.46 37.99 1bhm s ILE 191 CO 0.36 -0.04 1.12 -2.16 0.00 0.00 0.00 174.94 174.23 1bhm s PRO 192 N 2.38 2.11 0.50 2.79 0.04 -1.26 -0.52 135.00 141.04 1bhm s PRO 192 Ca 0.44 1.38 0.07 0.00 0.04 0.00 0.00 61.00 62.93 1bhm s PRO 192 Cb -0.17 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.53 1bhm s PRO 192 CO 0.13 -1.78 0.49 0.15 0.04 0.00 0.00 177.00 176.03 1bhm s LYS 193 N -4.52 2.39 0.00 4.56 1.02 -1.26 -3.50 119.74 118.42 1bhm s LYS 193 Ca 0.65 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.91 1bhm s LYS 193 Cb -0.21 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 1bhm s LYS 193 CO 0.51 -0.51 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 1bhm n GLY 194 N -1.81 5.92 0.62 -3.33 0.00 -1.26 -5.03 105.19 100.30 1bhm n GLY 194 Ca 0.05 -2.05 0.05 0.00 0.00 0.00 0.00 46.02 44.07 1bhm n GLY 194 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bhm n SER 195 N -0.15 2.45 -4.77 1.61 2.88 -1.26 -5.06 113.62 109.32 1bhm n SER 195 Ca 0.00 -3.48 -0.40 0.00 -1.33 0.00 0.00 58.87 53.66 1bhm n SER 195 Cb 0.00 -0.53 0.01 0.00 -0.75 0.00 0.00 64.21 62.94 1bhm n SER 195 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1bhm s ASP 196 N -2.75 6.00 0.00 -3.46 1.11 -1.26 -4.83 116.67 111.48 1bhm s ASP 196 Ca 0.38 2.84 0.00 0.00 0.18 0.00 0.00 52.55 55.96 1bhm s ASP 196 Cb 0.35 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.69 1bhm s ASP 196 CO 0.00 -1.08 0.00 0.61 1.18 0.00 0.00 175.17 175.88 1bhm n GLY 197 N 0.60 0.80 0.00 0.21 0.00 -1.26 -5.26 105.19 100.28 1bhm n GLY 197 Ca 0.05 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1bhm n GLY 197 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35