#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abm s GLN 4 N 0.00 4.05 -0.21 1.57 -2.07 -1.26 -4.97 119.66 116.77 3abm s GLN 4 Ca 0.00 0.76 0.12 0.00 -1.82 0.00 0.00 55.36 54.43 3abm s GLN 4 Cb 0.00 -2.39 0.44 0.00 -1.09 0.00 0.00 33.01 29.96 3abm s GLN 4 CO 0.00 0.13 1.20 0.25 -1.32 0.00 0.00 175.29 175.55 3abm n THR 5 N -0.39 2.01 -3.64 3.63 -2.24 -1.26 -5.01 114.28 107.38 3abm n THR 5 Ca 0.04 -3.24 -0.22 0.00 -2.27 0.00 0.00 64.05 58.36 3abm n THR 5 Cb 0.53 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 3abm n THR 5 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3abm s HIS 6 N -3.01 2.43 -2.06 4.78 0.00 -1.26 -5.06 115.29 111.11 3abm s HIS 6 Ca 0.40 -0.58 0.19 0.00 -3.00 0.00 0.00 55.06 52.08 3abm s HIS 6 Cb 0.38 -2.11 0.53 0.00 -4.00 0.00 0.00 32.58 27.38 3abm s HIS 6 CO -0.05 -0.22 1.44 0.00 -1.00 0.00 0.00 174.74 174.91 3abm n ALA 7 N -1.60 2.41 -2.22 -1.38 0.00 -1.26 -5.01 120.51 111.45 3abm n ALA 7 Ca 0.03 -1.02 -0.26 0.00 0.00 0.00 0.00 53.44 52.19 3abm n ALA 7 Cb 0.62 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 19.14 3abm n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3abm s TYR 8 N -1.26 3.39 -0.33 0.00 2.02 -1.26 -4.52 117.35 115.39 3abm s TYR 8 Ca 0.40 0.63 -0.10 0.00 -0.37 0.00 0.00 57.07 57.63 3abm s TYR 8 Cb 0.21 -2.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 3abm s TYR 8 CO 0.28 -0.49 0.16 -1.58 -1.57 0.00 0.00 175.55 172.35 3abm s HIS 9 N -2.79 3.20 -0.41 2.71 5.65 -1.26 -5.04 115.29 117.34 3abm s HIS 9 Ca 0.50 -0.72 -0.25 0.00 0.25 0.00 0.00 55.06 54.83 3abm s HIS 9 Cb -0.10 -2.37 0.02 0.00 -1.18 0.00 0.00 32.58 28.94 3abm s HIS 9 CO 0.43 -0.52 0.91 -1.64 -0.65 0.00 0.00 174.74 173.27 3abm s MET 10 N 1.59 3.69 0.23 2.88 -1.94 -1.26 -5.04 119.30 119.45 3abm s MET 10 Ca 0.04 0.35 -0.25 0.00 -1.71 0.00 0.00 55.69 54.12 3abm s MET 10 Cb -0.18 -3.86 -0.09 0.00 2.01 0.00 0.00 34.83 32.72 3abm s MET 10 CO 0.06 -1.06 0.84 0.08 -0.01 0.00 0.00 175.02 174.93 3abm s VAL 11 N 3.55 4.31 0.44 -6.03 1.01 -1.26 -5.02 120.40 117.40 3abm s VAL 11 Ca 0.37 1.73 -0.24 0.00 0.00 0.00 0.00 61.98 63.84 3abm s VAL 11 Cb -0.11 -4.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 3abm s VAL 11 CO 0.22 0.36 1.20 0.20 0.00 0.00 0.00 175.10 177.09 3abm s ASN 12 N -1.37 6.21 0.19 3.32 0.02 -1.26 -4.90 114.94 117.16 3abm s ASN 12 Ca 0.42 2.41 -0.32 0.00 -1.02 0.00 0.00 52.86 54.35 3abm s ASN 12 Cb -0.21 -2.61 -0.16 0.00 0.02 0.00 0.00 41.25 38.29 3abm s ASN 12 CO 0.26 -0.90 1.04 -2.65 0.02 0.00 0.00 177.10 174.87 3abm n PRO 13 N -0.28 0.98 -4.35 -0.60 -0.02 -1.26 -4.95 135.00 124.52 3abm n PRO 13 Ca 0.06 0.35 -0.18 0.00 -2.02 0.00 0.00 63.50 61.70 3abm n PRO 13 Cb 0.47 -1.75 -0.15 0.00 -0.02 0.00 0.00 33.50 32.05 3abm n PRO 13 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3abm s SER 14 N -0.26 1.02 0.00 2.55 0.15 -1.26 -5.04 113.70 110.85 3abm s SER 14 Ca 0.70 -0.16 0.28 0.00 0.70 0.00 0.00 55.95 57.47 3abm s SER 14 Cb -0.85 -0.12 1.11 0.00 -1.71 0.00 0.00 66.02 64.44 3abm s SER 14 CO 0.55 0.10 1.78 -0.81 1.20 0.00 0.00 173.24 176.06 3abm n PRO 15 N 2.89 1.19 0.05 5.44 -0.04 -1.26 -4.39 135.00 138.88 3abm n PRO 15 Ca -0.14 -0.59 -0.15 0.00 -0.04 0.00 0.00 63.50 62.59 3abm n PRO 15 Cb 0.57 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 3abm n PRO 15 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3abm h TRP 16 N 1.44 0.76 -0.94 0.54 -0.00 -1.96 -2.05 115.95 113.73 3abm h TRP 16 Ca 0.00 -0.38 0.13 0.00 -0.00 0.00 0.00 58.89 58.64 3abm h TRP 16 Cb 0.42 -0.10 -0.08 0.00 -0.00 0.00 0.00 29.16 29.40 3abm h TRP 16 CO 0.00 1.20 0.60 -1.35 -0.00 0.00 0.00 178.44 178.89 3abm h PRO 17 N 0.32 0.81 0.14 0.49 0.11 -1.98 0.20 132.00 132.08 3abm h PRO 17 Ca -0.08 -0.05 -0.30 0.00 0.11 0.00 0.00 66.00 65.68 3abm h PRO 17 Cb 1.53 -0.18 0.03 0.00 0.11 0.00 0.00 31.00 32.49 3abm h PRO 17 CO 0.16 0.53 -1.27 1.25 -0.21 0.00 0.00 178.00 178.47 3abm h LEU 18 N 0.83 0.88 -0.90 2.35 5.85 -1.77 -1.50 115.31 121.05 3abm h LEU 18 Ca 0.47 -0.84 -0.11 0.00 0.84 0.00 0.00 57.88 58.25 3abm h LEU 18 Cb 0.62 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3abm h LEU 18 CO -0.24 1.63 -0.37 0.71 -0.34 0.00 0.00 178.44 179.83 3abm h THR 19 N 0.25 1.30 -0.63 1.05 1.35 -1.06 0.94 112.91 116.11 3abm h THR 19 Ca -0.20 -1.47 -0.04 0.00 -0.55 0.00 0.00 66.41 64.16 3abm h THR 19 Cb 1.94 1.58 -0.03 0.00 -1.73 0.00 0.00 68.15 69.92 3abm h THR 19 CO 0.24 0.45 0.25 1.23 -0.25 0.00 0.00 175.52 177.44 3abm h GLY 20 N 1.14 1.01 0.79 5.82 0.00 -0.55 -0.59 103.07 110.68 3abm h GLY 20 Ca 0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 3abm h GLY 20 CO 0.06 0.52 0.01 0.00 0.00 0.00 0.00 176.54 177.13 3abm h ALA 21 N 1.10 0.20 -0.81 3.60 0.00 -0.91 -1.64 119.26 120.80 3abm h ALA 21 Ca 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3abm h ALA 21 Cb 0.20 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3abm h ALA 21 CO -0.02 -0.10 0.45 -0.07 0.00 0.00 0.00 179.25 179.51 3abm h LEU 22 N 0.01 0.99 -1.15 0.00 3.38 -0.79 -1.24 115.31 116.51 3abm h LEU 22 Ca 0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3abm h LEU 22 Cb 0.36 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3abm h LEU 22 CO 0.01 0.79 0.34 0.77 0.09 0.00 0.00 178.44 180.44 3abm h SER 23 N 1.12 0.84 -0.55 -0.43 4.64 -0.94 -0.51 113.55 117.73 3abm h SER 23 Ca 0.29 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.46 3abm h SER 23 Cb 0.01 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 3abm h SER 23 CO -0.05 0.70 0.09 0.00 -0.87 0.00 0.00 176.83 176.69 3abm h ALA 24 N 1.44 1.05 -0.25 5.18 0.00 -0.43 -0.27 119.26 125.98 3abm h ALA 24 Ca 0.24 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3abm h ALA 24 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3abm h ALA 24 CO -0.03 0.61 -0.32 1.25 0.00 0.00 0.00 179.25 180.76 3abm h LEU 25 N 0.89 0.54 -0.18 0.00 5.85 -0.33 -1.33 115.31 120.76 3abm h LEU 25 Ca 0.18 -0.21 -0.21 0.00 0.84 0.00 0.00 57.88 58.49 3abm h LEU 25 Cb 0.40 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3abm h LEU 25 CO 0.01 0.83 -0.95 -0.07 -0.34 0.00 0.00 178.44 177.92 3abm h LEU 26 N 0.45 0.21 -0.09 2.25 3.38 -0.37 -1.07 115.31 120.07 3abm h LEU 26 Ca 0.05 -0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.64 3abm h LEU 26 Cb 0.77 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.47 3abm h LEU 26 CO 0.06 1.04 -0.71 0.24 0.09 0.00 0.00 178.44 179.16 3abm h MET 27 N 0.07 0.64 0.16 1.13 2.86 -0.97 0.72 114.93 119.54 3abm h MET 27 Ca -0.05 -0.57 -0.01 0.00 -2.06 0.00 0.00 59.70 57.02 3abm h MET 27 Cb 1.62 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.41 3abm h MET 27 CO 0.14 1.18 -0.08 1.79 1.06 0.00 0.00 176.91 181.01 3abm h THR 28 N 0.29 0.98 -0.99 2.22 1.35 -1.22 -0.86 112.91 114.69 3abm h THR 28 Ca -0.06 -0.76 0.21 0.00 -0.55 0.00 0.00 66.41 65.24 3abm h THR 28 Cb 1.36 1.44 -0.09 0.00 -1.73 0.00 0.00 68.15 69.12 3abm h THR 28 CO 0.14 0.17 0.62 0.28 -0.25 0.00 0.00 175.52 176.49 3abm h SER 29 N -0.59 0.64 -0.23 5.36 0.02 -1.32 -2.02 113.55 115.41 3abm h SER 29 Ca -0.02 0.08 -0.20 0.00 -0.84 0.00 0.00 61.79 60.81 3abm h SER 29 Cb 0.45 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3abm h SER 29 CO 0.04 0.22 -0.65 1.23 -1.14 0.00 0.00 176.83 176.52 3abm h GLY 30 N 0.62 0.93 1.30 -3.77 0.00 -0.71 -1.46 103.07 99.97 3abm h GLY 30 Ca 0.56 -1.18 -0.06 0.00 0.00 0.00 0.00 47.33 46.64 3abm h GLY 30 CO -0.32 1.06 0.10 1.41 0.00 0.00 0.00 176.54 178.79 3abm h LEU 31 N 0.62 0.82 -0.29 3.11 3.38 -0.82 -0.49 115.31 121.65 3abm h LEU 31 Ca -0.01 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3abm h LEU 31 Cb 1.27 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 3abm h LEU 31 CO 0.14 0.83 0.09 0.74 0.09 0.00 0.00 178.44 180.32 3abm h THR 32 N 0.83 0.90 -0.57 0.22 2.02 -1.29 0.14 112.91 115.16 3abm h THR 32 Ca 0.17 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 67.19 3abm h THR 32 Cb 0.36 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3abm h THR 32 CO 0.01 0.04 0.00 -0.03 0.37 0.00 0.00 175.52 175.90 3abm h MET 33 N 0.21 0.98 0.00 6.66 -1.53 -1.06 -0.48 114.93 119.71 3abm h MET 33 Ca 0.13 -0.30 -0.00 0.00 -3.44 0.00 0.00 59.70 56.09 3abm h MET 33 Cb 0.11 -0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.06 3abm h MET 33 CO -0.14 0.97 -0.00 2.35 0.14 0.00 0.00 176.91 180.22 3abm h TRP 34 N 0.90 -0.00 -0.80 1.39 7.01 -0.62 0.21 115.95 124.04 3abm h TRP 34 Ca 0.16 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.14 3abm h TRP 34 Cb 0.53 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.55 3abm h TRP 34 CO 0.03 0.31 0.38 0.74 -2.79 0.00 0.00 178.44 177.12 3abm h PHE 35 N -0.31 1.15 0.00 2.65 0.04 -0.62 -3.26 116.94 116.59 3abm h PHE 35 Ca -0.00 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.71 3abm h PHE 35 Cb 0.31 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.11 3abm h PHE 35 CO 0.03 0.84 -0.80 0.72 -0.60 0.00 0.00 178.31 178.50 3abm n HIS 36 N -4.35 0.00 -1.82 -0.55 8.25 -0.20 -4.72 115.22 111.83 3abm n HIS 36 Ca 0.07 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.58 3abm n HIS 36 Cb 0.14 -0.07 0.07 0.00 1.12 0.00 0.00 29.99 31.25 3abm n HIS 36 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3abm n PHE 37 N -1.44 0.00 -3.20 4.41 3.72 0.67 -5.00 117.46 116.63 3abm n PHE 37 Ca -0.00 -0.59 -0.21 0.00 -0.05 0.00 0.00 57.45 56.60 3abm n PHE 37 Cb 0.12 -0.13 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 3abm n PHE 37 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3abm n ASN 38 N -0.42 -3.60 -3.98 4.37 5.15 -0.83 -4.87 115.26 111.10 3abm n ASN 38 Ca 0.08 -0.27 -0.16 0.00 -0.60 0.00 0.00 54.58 53.64 3abm n ASN 38 Cb 0.78 -3.00 -0.14 0.00 -0.53 0.00 0.00 39.78 36.89 3abm n ASN 38 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3abm s SER 39 N -2.59 0.67 0.00 1.20 0.15 -1.06 -4.99 113.70 107.08 3abm s SER 39 Ca 0.32 -0.16 0.20 0.00 0.70 0.00 0.00 55.95 57.01 3abm s SER 39 Cb -0.17 -0.06 0.21 0.00 -1.71 0.00 0.00 66.02 64.29 3abm s SER 39 CO 0.40 0.03 1.17 0.23 1.20 0.00 0.00 173.24 176.27 3abm n MET 40 N 2.74 1.87 0.15 5.44 2.81 -1.26 -2.24 117.12 126.63 3abm n MET 40 Ca -0.14 -1.78 -0.14 0.00 -1.81 0.00 0.00 57.70 53.83 3abm n MET 40 Cb 0.58 -1.39 -0.08 0.00 -0.71 0.00 0.00 33.22 31.61 3abm n MET 40 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3abm h THR 41 N 3.83 0.77 -0.85 2.03 2.02 -1.96 -1.43 112.91 117.33 3abm h THR 41 Ca 0.00 -0.44 0.07 0.00 0.77 0.00 0.00 66.41 66.82 3abm h THR 41 Cb 0.83 1.02 -0.07 0.00 -1.74 0.00 0.00 68.15 68.19 3abm h THR 41 CO 0.00 0.09 0.52 -0.07 0.37 0.00 0.00 175.52 176.43 3abm h LEU 42 N -0.60 0.79 -0.40 2.58 3.38 -1.89 -2.60 115.31 116.58 3abm h LEU 42 Ca -0.04 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3abm h LEU 42 Cb 0.43 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3abm h LEU 42 CO 0.06 0.49 0.18 0.25 0.09 0.00 0.00 178.44 179.51 3abm h LEU 43 N 0.92 0.54 -0.90 1.67 5.85 -1.64 -0.41 115.31 121.33 3abm h LEU 43 Ca 0.39 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 3abm h LEU 43 Cb 0.24 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3abm h LEU 43 CO -0.20 0.53 0.49 0.24 -0.34 0.00 0.00 178.44 179.16 3abm h MET 44 N 0.51 1.26 0.04 1.25 2.86 -1.15 0.36 114.93 120.06 3abm h MET 44 Ca 0.14 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3abm h MET 44 Cb 0.14 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.55 3abm h MET 44 CO -0.02 0.92 -0.02 0.82 1.06 0.00 0.00 176.91 179.68 3abm h ILE 45 N 1.26 1.00 -0.80 -1.22 2.04 -1.19 -2.06 117.51 116.53 3abm h ILE 45 Ca 0.32 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 66.02 3abm h ILE 45 Cb 0.03 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3abm h ILE 45 CO -0.05 0.03 0.37 1.23 0.00 0.00 0.00 178.15 179.74 3abm h GLY 46 N -0.11 1.23 1.03 5.37 0.00 -0.75 -0.86 103.07 108.98 3abm h GLY 46 Ca -0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 3abm h GLY 46 CO 0.01 0.58 0.51 1.41 0.00 0.00 0.00 176.54 179.05 3abm h LEU 47 N 1.14 1.12 0.23 3.11 3.38 -0.21 -0.95 115.31 123.12 3abm h LEU 47 Ca 0.27 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3abm h LEU 47 Cb 0.13 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3abm h LEU 47 CO -0.03 0.88 -0.11 0.74 0.09 0.00 0.00 178.44 180.01 3abm h THR 48 N 1.26 0.84 -0.15 0.22 2.02 -0.77 -1.53 112.91 114.81 3abm h THR 48 Ca 0.32 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 67.07 3abm h THR 48 Cb 0.00 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3abm h THR 48 CO -0.05 0.10 0.10 0.71 0.37 0.00 0.00 175.52 176.75 3abm h THR 49 N -0.53 1.01 -0.15 3.16 1.35 -1.13 -1.42 112.91 115.20 3abm h THR 49 Ca -0.03 -0.05 -0.05 0.00 -0.55 0.00 0.00 66.41 65.73 3abm h THR 49 Cb 0.39 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 67.65 3abm h THR 49 CO 0.05 0.03 -0.09 -1.13 -0.25 0.00 0.00 175.52 174.13 3abm h ASN 50 N 0.15 0.34 -0.73 5.36 -1.24 -0.93 0.53 115.58 119.05 3abm h ASN 50 Ca 0.06 -0.43 -0.01 0.00 0.71 0.00 0.00 56.30 56.63 3abm h ASN 50 Cb 0.06 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 38.99 3abm h ASN 50 CO -0.01 0.69 0.41 0.24 -1.29 0.00 0.00 177.43 177.47 3abm h MET 51 N -0.01 1.02 -0.58 6.67 2.86 -0.93 -1.26 114.93 122.70 3abm h MET 51 Ca 0.03 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.47 3abm h MET 51 Cb 0.57 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 3abm h MET 51 CO 0.03 0.75 0.02 -0.07 1.06 0.00 0.00 176.91 178.70 3abm h LEU 52 N 1.01 0.96 -0.01 1.22 3.38 -1.10 0.11 115.31 120.88 3abm h LEU 52 Ca 0.26 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3abm h LEU 52 Cb 0.03 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3abm h LEU 52 CO -0.04 1.00 0.00 0.74 0.09 0.00 0.00 178.44 180.23 3abm h THR 53 N 0.91 1.18 -0.41 0.22 2.02 -0.56 -1.36 112.91 114.91 3abm h THR 53 Ca 0.17 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 3abm h THR 53 Cb 0.50 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 3abm h THR 53 CO 0.02 0.14 0.16 0.24 0.37 0.00 0.00 175.52 176.46 3abm h MET 54 N -0.21 0.61 -0.19 6.66 2.86 -1.11 -0.18 114.93 123.38 3abm h MET 54 Ca 0.00 -0.11 0.05 0.00 -2.06 0.00 0.00 59.70 57.58 3abm h MET 54 Cb 0.23 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.72 3abm h MET 54 CO 0.00 0.57 -0.42 -0.92 1.06 0.00 0.00 176.91 177.21 3abm h TYR 55 N 0.52 -1.20 -0.24 -0.22 3.20 -0.90 -2.00 116.97 116.14 3abm h TYR 55 Ca 0.14 0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 3abm h TYR 55 Cb 0.19 0.55 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 3abm h TYR 55 CO -0.00 -0.46 -0.27 1.96 -1.64 0.00 0.00 178.16 177.74 3abm h GLN 56 N -0.45 0.47 0.18 1.82 4.20 -1.07 -1.02 115.11 119.24 3abm h GLN 56 Ca 0.09 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 3abm h GLN 56 Cb 0.61 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3abm h GLN 56 CO -0.43 0.71 -0.09 2.35 -0.67 0.00 0.00 178.83 180.70 3abm h TRP 57 N 0.41 -0.22 -0.25 2.96 2.91 -0.98 -0.91 115.95 119.87 3abm h TRP 57 Ca 0.06 -0.01 -0.09 0.00 1.13 0.00 0.00 58.89 59.98 3abm h TRP 57 Cb 0.70 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.41 3abm h TRP 57 CO 0.02 0.10 -0.25 -1.49 -1.03 0.00 0.00 178.44 175.79 3abm h TRP 58 N -0.56 0.53 -0.30 2.65 6.55 -1.37 -1.93 115.95 121.51 3abm h TRP 58 Ca -0.02 -0.11 0.07 0.00 0.95 0.00 0.00 58.89 59.78 3abm h TRP 58 Cb 0.42 -0.13 -0.08 0.00 -0.86 0.00 0.00 29.16 28.51 3abm h TRP 58 CO 0.03 0.68 -0.27 -0.09 -1.05 0.00 0.00 178.44 177.73 3abm h ARG 59 N 0.42 -0.25 -0.56 0.49 2.43 -1.14 -1.23 114.38 114.53 3abm h ARG 59 Ca 0.06 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3abm h ARG 59 Cb 0.66 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 3abm h ARG 59 CO 0.05 -0.16 0.34 -0.44 -1.51 0.00 0.00 179.97 178.24 3abm h ASP 60 N -0.25 0.67 -0.23 -3.80 5.19 -0.79 0.11 116.42 117.32 3abm h ASP 60 Ca 0.15 -0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.46 3abm h ASP 60 Cb 0.50 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 3abm h ASP 60 CO -0.44 0.52 -0.08 0.58 -3.12 0.00 0.00 179.24 176.70 3abm h VAL 61 N 0.78 1.23 -0.26 -1.35 2.07 -0.96 -0.54 116.25 117.22 3abm h VAL 61 Ca 0.20 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 3abm h VAL 61 Cb -0.03 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3abm h VAL 61 CO -0.04 0.34 -0.09 0.40 0.02 0.00 0.00 177.57 178.20 3abm h ILE 62 N 0.55 1.29 -0.98 4.57 2.04 -0.13 -1.74 117.51 123.11 3abm h ILE 62 Ca 0.11 -1.13 0.15 0.00 1.00 0.00 0.00 64.86 64.98 3abm h ILE 62 Cb 0.47 1.49 -0.09 0.00 -0.74 0.00 0.00 36.82 37.95 3abm h ILE 62 CO 0.03 0.35 0.60 0.03 0.00 0.00 0.00 178.15 179.16 3abm h ARG 63 N 0.26 0.85 0.00 2.37 3.08 -0.29 -2.26 114.38 118.39 3abm h ARG 63 Ca 0.06 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3abm h ARG 63 Cb 0.57 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3abm h ARG 63 CO 0.03 0.56 -0.37 0.93 -1.07 0.00 0.00 179.97 180.05 3abm h GLU 64 N 0.87 0.00 0.00 0.04 5.08 -0.84 0.87 114.58 120.60 3abm h GLU 64 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 3abm h GLU 64 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3abm h GLU 64 CO -0.32 0.37 -0.04 -1.13 -1.00 0.00 0.00 179.01 176.90 3abm n SER 65 N -3.25 0.08 -0.26 1.42 3.41 -0.68 -1.13 113.62 113.21 3abm n SER 65 Ca 0.02 0.01 0.03 0.00 -0.26 0.00 0.00 58.87 58.67 3abm n SER 65 Cb 0.64 -0.41 0.16 0.00 -0.26 0.00 0.00 64.21 64.34 3abm n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3abm h THR 66 N -0.04 0.82 0.00 6.66 2.02 -1.63 -1.57 112.91 119.18 3abm h THR 66 Ca 0.00 -0.21 -0.35 0.00 0.77 0.00 0.00 66.41 66.62 3abm h THR 66 Cb 0.04 0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 66.53 3abm h THR 66 CO 0.00 0.11 -2.27 0.49 0.37 0.00 0.00 175.52 174.22 3abm n PHE 67 N -4.86 0.15 0.46 3.16 0.99 -0.89 -4.46 117.46 112.02 3abm n PHE 67 Ca 0.12 0.06 0.05 0.00 -0.00 0.00 0.00 57.45 57.68 3abm n PHE 67 Cb 0.31 -1.01 -0.05 0.00 -1.00 0.00 0.00 39.48 37.72 3abm n PHE 67 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3abm n GLN 68 N -2.78 3.70 -1.84 -1.08 6.02 0.25 -5.01 117.38 116.64 3abm n GLN 68 Ca -0.30 -0.02 -0.14 0.00 -0.01 0.00 0.00 57.00 56.54 3abm n GLN 68 Cb 1.12 -0.97 -0.03 0.00 1.02 0.00 0.00 30.24 31.38 3abm n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3abm n GLY 69 N 1.22 0.61 0.00 1.08 0.00 -0.59 -4.93 105.19 102.59 3abm n GLY 69 Ca 0.02 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.79 3abm n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3abm n HIS 70 N -3.31 0.04 -2.97 1.61 8.25 -0.29 -4.43 115.22 114.11 3abm n HIS 70 Ca -0.15 0.01 -0.44 0.00 -0.26 0.00 0.00 57.72 56.88 3abm n HIS 70 Cb 0.54 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 31.13 3abm n HIS 70 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3abm n HIS 71 N -1.53 4.87 -1.28 4.41 8.25 -1.26 -4.72 115.22 123.96 3abm n HIS 71 Ca 0.05 -3.40 -0.29 0.00 -0.26 0.00 0.00 57.72 53.82 3abm n HIS 71 Cb 0.23 -2.09 0.16 0.00 1.12 0.00 0.00 29.99 29.41 3abm n HIS 71 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3abm s THR 72 N 1.01 2.13 0.58 1.59 -4.23 -1.26 -4.69 115.64 110.77 3abm s THR 72 Ca 0.41 0.04 0.28 0.00 -1.18 0.00 0.00 61.69 61.24 3abm s THR 72 Cb -0.03 -2.61 0.37 0.00 1.34 0.00 0.00 72.50 71.56 3abm s THR 72 CO -0.01 -0.06 2.04 -0.65 -0.54 0.00 0.00 174.62 175.41 3abm h PRO 73 N -1.74 0.00 0.23 3.99 0.11 -1.94 -0.52 132.00 132.13 3abm h PRO 73 Ca -0.53 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.26 3abm h PRO 73 Cb 1.33 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.47 3abm h PRO 73 CO 0.59 0.00 -1.45 0.00 -0.21 0.00 0.00 178.00 176.93 3abm h ALA 74 N 1.69 -0.10 -0.28 -0.75 0.00 -1.90 -1.06 119.26 116.85 3abm h ALA 74 Ca 0.13 -0.89 0.02 0.00 0.00 0.00 0.00 54.91 54.17 3abm h ALA 74 Cb 0.69 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3abm h ALA 74 CO -0.00 0.71 0.12 0.28 0.00 0.00 0.00 179.25 180.35 3abm h VAL 75 N 0.07 0.96 -0.55 0.00 2.07 -1.59 -1.96 116.25 115.24 3abm h VAL 75 Ca -0.26 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3abm h VAL 75 Cb 2.09 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 3abm h VAL 75 CO 0.24 0.05 0.17 -0.61 0.02 0.00 0.00 177.57 177.44 3abm h GLN 76 N 0.26 0.82 -0.52 1.57 4.15 -1.01 -1.64 115.11 118.74 3abm h GLN 76 Ca 0.12 -0.15 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 3abm h GLN 76 Cb 0.07 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 3abm h GLN 76 CO -0.10 0.71 0.03 -0.22 -1.93 0.00 0.00 178.83 177.32 3abm h LYS 77 N 0.80 0.85 -0.68 1.69 3.11 -0.67 -0.60 116.57 121.08 3abm h LYS 77 Ca 0.18 -0.23 -0.04 0.00 -2.81 0.00 0.00 60.65 57.75 3abm h LYS 77 Cb 0.24 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.34 3abm h LYS 77 CO -0.01 0.84 0.25 0.78 -2.81 0.00 0.00 179.45 178.50 3abm h GLY 78 N 0.99 1.10 2.00 5.01 0.00 -0.85 -2.08 103.07 109.25 3abm h GLY 78 Ca 0.16 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 3abm h GLY 78 CO 0.02 0.58 -0.32 1.41 0.00 0.00 0.00 176.54 178.23 3abm h LEU 79 N 0.97 0.00 -0.19 3.11 3.38 -0.42 0.20 115.31 122.36 3abm h LEU 79 Ca 0.22 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 3abm h LEU 79 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3abm h LEU 79 CO -0.01 0.32 -0.02 0.03 0.09 0.00 0.00 178.44 178.85 3abm h ARG 80 N 0.00 0.35 -0.89 1.13 3.08 -0.55 -1.02 114.38 116.48 3abm h ARG 80 Ca -0.00 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 60.00 3abm h ARG 80 Cb 0.69 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.65 3abm h ARG 80 CO 0.04 0.58 0.55 1.88 -1.07 0.00 0.00 179.97 181.95 3abm h TYR 81 N 0.08 1.00 -0.58 3.04 0.05 -0.71 -0.64 116.97 119.22 3abm h TYR 81 Ca 0.05 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 3abm h TYR 81 Cb 0.43 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.83 3abm h TYR 81 CO 0.04 0.48 0.20 0.78 -1.05 0.00 0.00 178.16 178.61 3abm h GLY 82 N 0.96 0.91 1.41 3.88 0.00 0.13 -1.19 103.07 109.17 3abm h GLY 82 Ca 0.40 -0.48 -0.26 0.00 0.00 0.00 0.00 47.33 46.99 3abm h GLY 82 CO -0.20 0.45 -1.11 1.98 0.00 0.00 0.00 176.54 177.67 3abm h MET 83 N 0.83 0.51 -0.30 4.80 1.85 -0.62 -1.09 114.93 120.91 3abm h MET 83 Ca 0.19 -0.63 -0.01 0.00 -0.61 0.00 0.00 59.70 58.65 3abm h MET 83 Cb 0.21 0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.42 3abm h MET 83 CO -0.01 1.25 0.14 0.82 -0.40 0.00 0.00 176.91 178.71 3abm h ILE 84 N 0.25 1.15 -0.55 1.77 2.04 -0.82 -1.25 117.51 120.11 3abm h ILE 84 Ca -0.13 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 3abm h ILE 84 Cb 1.77 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 3abm h ILE 84 CO 0.20 0.16 0.26 -0.07 0.00 0.00 0.00 178.15 178.70 3abm h LEU 85 N 0.35 0.69 -0.33 1.44 3.38 -1.18 -0.42 115.31 119.24 3abm h LEU 85 Ca 0.10 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3abm h LEU 85 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3abm h LEU 85 CO -0.01 0.59 -0.11 0.15 0.09 0.00 0.00 178.44 179.15 3abm h PHE 86 N 0.77 0.75 -0.77 1.13 3.57 -0.72 -1.70 116.94 119.96 3abm h PHE 86 Ca 0.19 -0.17 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 3abm h PHE 86 Cb 0.08 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 3abm h PHE 86 CO 0.01 0.85 0.29 0.82 -2.23 0.00 0.00 178.31 178.04 3abm h ILE 87 N 0.44 1.26 -0.58 1.41 2.04 -0.66 -1.68 117.51 119.74 3abm h ILE 87 Ca 0.08 -0.84 0.11 0.00 1.00 0.00 0.00 64.86 65.21 3abm h ILE 87 Cb 0.62 0.35 -0.09 0.00 -0.74 0.00 0.00 36.82 36.97 3abm h ILE 87 CO 0.04 0.34 0.08 0.40 0.00 0.00 0.00 178.15 179.01 3abm h ILE 88 N 1.14 0.60 0.00 -0.67 2.04 -0.77 -0.01 117.51 119.84 3abm h ILE 88 Ca 0.26 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.98 3abm h ILE 88 Cb 0.24 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3abm h ILE 88 CO -0.02 0.04 -0.30 0.77 0.00 0.00 0.00 178.15 178.64 3abm h SER 89 N 0.20 0.00 0.66 1.72 4.64 -0.68 -1.05 113.55 119.04 3abm h SER 89 Ca 0.31 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.45 3abm h SER 89 Cb 0.47 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 3abm h SER 89 CO -0.43 0.30 -0.81 -0.33 -0.87 0.00 0.00 176.83 174.68 3abm h GLU 90 N 0.00 0.11 0.07 4.77 4.39 -0.38 -1.91 114.58 121.63 3abm h GLU 90 Ca -0.00 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 3abm h GLU 90 Cb 0.60 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3abm h GLU 90 CO 0.04 0.86 -0.04 0.28 -1.16 0.00 0.00 179.01 178.99 3abm h VAL 91 N 0.06 1.03 -0.76 3.13 2.07 -0.21 -1.99 116.25 119.59 3abm h VAL 91 Ca -0.02 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.19 3abm h VAL 91 Cb 1.42 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.41 3abm h VAL 91 CO 0.12 0.09 0.50 -0.07 0.02 0.00 0.00 177.57 178.23 3abm h LEU 92 N -0.27 0.73 -0.44 2.57 -0.00 -1.17 0.11 115.31 116.84 3abm h LEU 92 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 3abm h LEU 92 Cb 0.23 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.71 3abm h LEU 92 CO 0.02 0.48 0.24 0.15 -0.00 0.00 0.00 178.44 179.33 3abm h PHE 93 N 0.83 0.61 -0.71 1.13 3.57 -1.15 -2.77 116.94 118.45 3abm h PHE 93 Ca 0.32 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 3abm h PHE 93 Cb 0.21 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3abm h PHE 93 CO -0.00 0.46 0.23 0.74 -2.23 0.00 0.00 178.31 177.51 3abm h PHE 94 N 0.58 1.14 -0.95 0.41 -1.00 -0.74 -2.74 116.94 113.64 3abm h PHE 94 Ca 0.16 -0.11 0.21 0.00 2.81 0.00 0.00 57.97 61.03 3abm h PHE 94 Cb 0.05 -0.33 -0.18 0.00 3.61 0.00 0.00 35.95 39.10 3abm h PHE 94 CO -0.02 0.90 -0.16 1.15 -1.61 0.00 0.00 178.31 178.57 3abm h THR 95 N 1.05 0.06 0.00 -1.55 2.02 -0.53 0.77 112.91 114.72 3abm h THR 95 Ca 0.23 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.38 3abm h THR 95 Cb 0.29 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3abm h THR 95 CO -0.01 0.00 -0.12 1.23 0.37 0.00 0.00 175.52 176.99 3abm h GLY 96 N 0.01 0.00 1.66 2.16 0.00 -1.22 0.40 103.07 106.08 3abm h GLY 96 Ca 0.49 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.58 3abm h GLY 96 CO -0.95 0.00 -1.06 0.74 0.00 0.00 0.00 176.54 175.27 3abm h PHE 97 N 0.00 0.46 -0.47 5.60 0.04 -0.95 -2.06 116.94 119.56 3abm h PHE 97 Ca -0.00 -0.29 -0.05 0.00 2.80 0.00 0.00 57.97 60.43 3abm h PHE 97 Cb 0.22 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 3abm h PHE 97 CO 0.00 1.16 0.11 0.74 -0.60 0.00 0.00 178.31 179.72 3abm h PHE 98 N 0.12 0.79 -0.21 -0.55 0.04 -0.99 -1.61 116.94 114.53 3abm h PHE 98 Ca -0.09 -0.09 0.06 0.00 2.80 0.00 0.00 57.97 60.64 3abm h PHE 98 Cb 1.74 -0.22 -0.07 0.00 2.20 0.00 0.00 35.95 39.60 3abm h PHE 98 CO 0.05 0.72 -0.33 2.35 -0.60 0.00 0.00 178.31 180.49 3abm h TRP 99 N 0.63 -0.93 -0.68 -0.55 2.91 -0.89 -0.22 115.95 116.22 3abm h TRP 99 Ca 0.15 0.05 0.14 0.00 1.13 0.00 0.00 58.89 60.35 3abm h TRP 99 Cb 0.32 0.44 -0.10 0.00 -0.51 0.00 0.00 29.16 29.32 3abm h TRP 99 CO 0.02 -0.40 0.16 0.00 -1.03 0.00 0.00 178.44 177.19 3abm h ALA 100 N 0.48 0.85 -0.17 2.65 0.00 -1.21 -0.28 119.26 121.58 3abm h ALA 100 Ca 0.12 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3abm h ALA 100 Cb 0.55 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3abm h ALA 100 CO -0.41 -0.31 -0.01 0.35 0.00 0.00 0.00 179.25 178.87 3abm h PHE 101 N 0.28 0.33 -0.53 0.00 3.57 -0.76 -2.66 116.94 117.18 3abm h PHE 101 Ca 0.37 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.71 3abm h PHE 101 Cb 0.59 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3abm h PHE 101 CO -0.25 0.53 -0.04 1.88 -2.23 0.00 0.00 178.31 178.20 3abm h TYR 102 N 0.04 1.01 -0.61 0.41 -1.99 -0.68 -1.07 116.97 114.09 3abm h TYR 102 Ca 0.05 -0.17 0.09 0.00 2.00 0.00 0.00 58.73 60.69 3abm h TYR 102 Cb 0.41 -0.26 -0.07 0.00 2.00 0.00 0.00 36.73 38.80 3abm h TYR 102 CO 0.04 0.93 0.24 1.25 -0.00 0.00 0.00 178.16 180.62 3abm h HIS 103 N 0.84 0.43 0.08 4.88 2.76 -0.97 -0.15 115.15 123.02 3abm h HIS 103 Ca 0.15 0.03 -0.25 0.00 -2.20 0.00 0.00 60.37 58.10 3abm h HIS 103 Cb 0.56 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 3abm h HIS 103 CO 0.03 0.13 -1.15 0.77 -1.30 0.00 0.00 177.93 176.41 3abm h SER 104 N 0.44 0.28 0.95 3.26 0.02 -1.25 -3.27 113.55 113.98 3abm h SER 104 Ca 0.30 -0.29 -0.21 0.00 -0.84 0.00 0.00 61.79 60.75 3abm h SER 104 Cb 0.35 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 3abm h SER 104 CO -0.29 1.23 -1.10 0.77 -1.14 0.00 0.00 176.83 176.30 3abm h SER 105 N 0.05 0.00 0.89 3.07 4.64 -1.08 -3.21 113.55 117.91 3abm h SER 105 Ca -0.09 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.05 3abm h SER 105 Cb 1.89 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.95 3abm h SER 105 CO 0.18 0.91 -0.85 -0.07 -0.87 0.00 0.00 176.83 176.13 3abm h LEU 106 N 0.00 0.00 -6.02 5.97 3.38 -1.15 -3.37 115.31 114.12 3abm h LEU 106 Ca -0.07 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.32 3abm h LEU 106 Cb 1.76 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 42.10 3abm h LEU 106 CO 0.11 0.85 -0.77 0.00 0.09 0.00 0.00 178.44 178.71 3abm n ALA 107 N -2.37 3.59 -1.81 1.53 0.00 -1.23 -5.10 120.51 115.12 3abm n ALA 107 Ca -0.00 -4.32 -0.41 0.00 0.00 0.00 0.00 53.44 48.71 3abm n ALA 107 Cb 0.82 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 19.40 3abm n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3abm s PRO 108 N -2.25 4.23 0.67 0.00 0.04 -1.21 -4.85 135.00 131.62 3abm s PRO 108 Ca 0.40 2.39 -0.04 0.00 0.04 0.00 0.00 61.00 63.79 3abm s PRO 108 Cb 0.18 -3.05 0.06 0.00 0.04 0.00 0.00 34.50 31.73 3abm s PRO 108 CO -0.06 -0.43 0.95 0.95 0.04 0.00 0.00 177.00 178.45 3abm s THR 109 N -0.50 2.37 0.34 1.26 -4.23 -1.26 -4.43 115.64 109.19 3abm s THR 109 Ca 0.56 -0.39 0.08 0.00 -1.18 0.00 0.00 61.69 60.76 3abm s THR 109 Cb -0.43 -2.98 0.32 0.00 1.34 0.00 0.00 72.50 70.74 3abm s THR 109 CO 0.51 0.00 1.85 -0.65 -0.54 0.00 0.00 174.62 175.79 3abm h PRO 110 N -0.42 0.72 -0.05 3.99 0.11 -1.93 -0.79 132.00 133.63 3abm h PRO 110 Ca -0.43 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.65 3abm h PRO 110 Cb 1.31 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3abm h PRO 110 CO 0.57 0.47 0.10 0.93 -0.21 0.00 0.00 178.00 179.86 3abm h GLU 111 N 0.74 0.00 -0.00 1.05 3.07 -2.02 0.17 114.58 117.59 3abm h GLU 111 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 3abm h GLU 111 Cb 0.72 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 3abm h GLU 111 CO -0.23 0.00 -0.59 1.28 -1.40 0.00 0.00 179.01 178.07 3abm n LEU 112 N -3.44 0.79 0.00 1.33 4.77 -0.71 -4.90 117.00 114.85 3abm n LEU 112 Ca -0.02 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3abm n LEU 112 Cb 0.18 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3abm n LEU 112 CO 0.23 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3abm n GLY 113 N 1.47 0.82 2.42 -0.72 0.00 0.60 -1.27 105.19 108.51 3abm n GLY 113 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 3abm n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abm n GLY 114 N -1.33 0.72 3.26 -0.02 0.00 -0.38 -4.94 105.19 102.49 3abm n GLY 114 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 3abm n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abm s TRP 116 N -4.11 0.32 0.74 0.00 -0.11 -1.26 -3.59 118.94 110.92 3abm s TRP 116 Ca 0.33 -0.02 -0.15 0.00 1.22 0.00 0.00 56.10 57.48 3abm s TRP 116 Cb 0.06 -0.35 0.05 0.00 -1.50 0.00 0.00 33.47 31.72 3abm s TRP 116 CO 0.10 -0.10 1.24 -2.14 -4.62 0.00 0.00 176.95 171.43 3abm s PRO 117 N 0.72 2.00 0.86 5.86 0.02 -1.26 -4.99 135.00 138.22 3abm s PRO 117 Ca -0.07 1.88 -0.14 0.00 0.02 0.00 0.00 61.00 62.68 3abm s PRO 117 Cb -0.10 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.61 3abm s PRO 117 CO -0.01 -1.97 0.43 -2.30 -0.33 0.00 0.00 177.00 172.82 3abm n PRO 118 N -2.74 -0.04 -1.69 5.54 -0.02 -1.24 -4.87 135.00 129.94 3abm n PRO 118 Ca 0.14 0.03 -0.44 0.00 -2.02 0.00 0.00 63.50 61.22 3abm n PRO 118 Cb 0.50 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 3abm n PRO 118 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3abm n THR 119 N -3.09 0.55 -0.43 3.45 -1.04 -0.39 -2.21 114.28 111.11 3abm n THR 119 Ca 0.08 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3abm n THR 119 Cb 0.52 -1.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.39 3abm n THR 119 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3abm n GLY 120 N 2.77 0.72 3.69 3.41 0.00 -1.26 -4.97 105.19 109.55 3abm n GLY 120 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3abm n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3abm s ILE 121 N -2.87 5.33 -0.36 -0.61 -1.09 -0.94 -5.06 121.20 115.61 3abm s ILE 121 Ca 0.00 0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.59 3abm s ILE 121 Cb 0.00 -3.46 0.10 0.00 -1.58 0.00 0.00 42.46 37.52 3abm s ILE 121 CO 0.00 0.40 0.10 -1.00 -1.23 0.00 0.00 174.94 173.22 3abm s HIS 122 N 0.66 3.63 0.90 3.97 3.76 -1.26 -4.84 115.29 122.11 3abm s HIS 122 Ca 0.07 -2.65 -0.11 0.00 -0.15 0.00 0.00 55.06 52.23 3abm s HIS 122 Cb -0.12 -2.95 0.13 0.00 1.11 0.00 0.00 32.58 30.75 3abm s HIS 122 CO 0.01 -0.95 1.09 -2.14 -0.85 0.00 0.00 174.74 171.90 3abm s PRO 123 N 1.04 1.23 0.70 8.40 0.02 -1.26 -4.83 135.00 140.30 3abm s PRO 123 Ca 0.08 0.92 -0.12 0.00 0.02 0.00 0.00 61.00 61.89 3abm s PRO 123 Cb -0.21 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.53 3abm s PRO 123 CO -0.06 -2.29 1.08 -0.51 -0.33 0.00 0.00 177.00 174.89 3abm s LEU 124 N -6.27 3.20 -0.19 -5.54 1.43 -1.26 -4.98 118.68 105.07 3abm s LEU 124 Ca 0.64 1.78 -0.28 0.00 -1.03 0.00 0.00 54.13 55.24 3abm s LEU 124 Cb -0.19 -4.52 -0.00 0.00 0.03 0.00 0.00 46.19 41.51 3abm s LEU 124 CO 0.57 -1.62 0.96 0.21 0.23 0.00 0.00 176.35 176.70 3abm s ASN 125 N -3.30 7.07 0.17 2.29 3.84 -1.26 -4.93 114.94 118.82 3abm s ASN 125 Ca 0.61 1.33 0.18 0.00 0.21 0.00 0.00 52.86 55.19 3abm s ASN 125 Cb -0.16 -2.51 0.80 0.00 -0.55 0.00 0.00 41.25 38.83 3abm s ASN 125 CO 0.50 -0.54 1.56 -0.81 -2.79 0.00 0.00 177.10 175.02 3abm n PRO 126 N 5.72 0.11 -0.01 0.43 -0.04 -1.26 -2.34 135.00 137.61 3abm n PRO 126 Ca 0.09 0.42 0.14 0.00 -0.04 0.00 0.00 63.50 64.10 3abm n PRO 126 Cb 0.47 -1.74 0.60 0.00 -0.04 0.00 0.00 33.50 32.80 3abm n PRO 126 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3abm n LEU 127 N -1.95 1.10 0.00 1.53 7.99 -1.26 -2.12 117.00 122.28 3abm n LEU 127 Ca 0.02 -0.39 0.00 0.00 -0.01 0.00 0.00 56.01 55.63 3abm n LEU 127 Cb 0.16 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.45 3abm n LEU 127 CO 0.14 0.19 0.00 -0.62 -1.51 0.00 0.00 177.39 175.60 3abm n GLU 128 N -0.13 0.00 0.17 3.23 1.02 -0.99 -4.63 120.64 119.32 3abm n GLU 128 Ca 0.19 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.35 3abm n GLU 128 Cb 0.28 0.00 0.33 0.00 -0.02 0.00 0.00 31.44 32.03 3abm n GLU 128 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3abm h VAL 129 N 0.00 1.28 -0.44 2.62 2.07 -1.88 -2.10 116.25 117.80 3abm h VAL 129 Ca 0.00 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 3abm h VAL 129 Cb 0.00 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3abm h VAL 129 CO 0.00 0.38 0.20 -0.65 0.02 0.00 0.00 177.57 177.52 3abm h PRO 130 N 0.03 0.62 -0.20 1.57 0.11 -1.77 0.14 132.00 132.49 3abm h PRO 130 Ca 0.00 -0.07 -0.17 0.00 0.11 0.00 0.00 66.00 65.87 3abm h PRO 130 Cb 0.69 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 3abm h PRO 130 CO 0.05 0.49 -0.56 1.25 -0.21 0.00 0.00 178.00 179.02 3abm h LEU 131 N 0.62 0.67 -0.08 2.35 5.85 -0.85 -2.01 115.31 121.86 3abm h LEU 131 Ca 0.15 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 3abm h LEU 131 Cb 0.09 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 3abm h LEU 131 CO -0.02 1.09 0.01 0.25 -0.34 0.00 0.00 178.44 179.44 3abm h LEU 132 N 0.46 0.12 -1.14 2.25 5.85 -0.83 -0.60 115.31 121.42 3abm h LEU 132 Ca 0.01 -0.25 0.20 0.00 0.84 0.00 0.00 57.88 58.68 3abm h LEU 132 Cb 1.11 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 42.01 3abm h LEU 132 CO 0.11 0.34 0.62 0.78 -0.34 0.00 0.00 178.44 179.94 3abm h ASN 133 N -0.10 0.68 -0.35 1.25 2.35 -0.72 -0.66 115.58 118.02 3abm h ASN 133 Ca 0.02 0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 3abm h ASN 133 Cb 0.27 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3abm h ASN 133 CO 0.00 0.23 0.08 0.74 -1.65 0.00 0.00 177.43 176.83 3abm h THR 134 N 0.65 1.22 0.00 2.81 2.02 -0.58 -2.21 112.91 116.82 3abm h THR 134 Ca 0.56 -0.76 -0.10 0.00 0.77 0.00 0.00 66.41 66.88 3abm h THR 134 Cb 1.03 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3abm h THR 134 CO -0.34 0.26 -0.48 0.77 0.37 0.00 0.00 175.52 176.10 3abm h SER 135 N 0.42 0.00 -0.33 4.18 4.64 0.10 -1.11 113.55 121.44 3abm h SER 135 Ca 0.11 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 3abm h SER 135 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3abm h SER 135 CO 0.00 0.48 0.12 0.58 -0.87 0.00 0.00 176.83 177.14 3abm h VAL 136 N 0.00 1.20 0.05 0.95 2.07 -0.97 -0.34 116.25 119.21 3abm h VAL 136 Ca -0.00 -0.63 -0.28 0.00 0.82 0.00 0.00 66.70 66.61 3abm h VAL 136 Cb 0.95 0.98 0.03 0.00 -1.52 0.00 0.00 31.29 31.73 3abm h VAL 136 CO 0.06 0.22 -1.13 -0.07 0.02 0.00 0.00 177.57 176.67 3abm h LEU 137 N 0.39 0.91 -1.15 2.57 3.38 -1.26 -1.14 115.31 119.01 3abm h LEU 137 Ca 0.11 -0.77 0.09 0.00 0.09 0.00 0.00 57.88 57.40 3abm h LEU 137 Cb 0.22 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 3abm h LEU 137 CO -0.01 1.57 0.59 -0.07 0.09 0.00 0.00 178.44 180.62 3abm h LEU 138 N 0.35 0.85 -0.70 1.67 3.38 -1.23 -2.21 115.31 117.42 3abm h LEU 138 Ca -0.16 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 3abm h LEU 138 Cb 1.79 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.37 3abm h LEU 138 CO 0.22 0.50 -0.17 0.00 0.09 0.00 0.00 178.44 179.08 3abm h ALA 139 N 1.54 0.89 0.00 1.53 0.00 -0.81 -2.31 119.26 120.10 3abm h ALA 139 Ca 0.43 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3abm h ALA 139 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3abm h ALA 139 CO -0.19 0.63 -0.28 0.66 0.00 0.00 0.00 179.25 180.08 3abm h SER 140 N 0.73 0.00 0.68 0.00 4.64 -0.76 -0.89 113.55 117.95 3abm h SER 140 Ca 0.11 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.32 3abm h SER 140 Cb 0.68 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 3abm h SER 140 CO 0.05 0.28 -0.54 1.23 -0.87 0.00 0.00 176.83 176.98 3abm h GLY 141 N 1.81 0.00 0.66 -0.77 0.00 -0.88 0.60 103.07 104.49 3abm h GLY 141 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 3abm h GLY 141 CO 0.04 0.00 -0.43 -2.08 0.00 0.00 0.00 176.54 174.06 3abm h VAL 142 N 0.00 1.46 -0.11 4.60 2.07 -0.96 -3.03 116.25 120.28 3abm h VAL 142 Ca -0.01 -1.97 -0.15 0.00 0.82 0.00 0.00 66.70 65.40 3abm h VAL 142 Cb 1.03 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 3abm h VAL 142 CO 0.07 0.56 -0.57 0.77 0.02 0.00 0.00 177.57 178.42 3abm h SER 143 N -0.23 0.37 0.53 0.57 4.64 -1.11 -1.79 113.55 116.53 3abm h SER 143 Ca -0.05 -0.20 -0.11 0.00 -0.47 0.00 0.00 61.79 60.96 3abm h SER 143 Cb 1.15 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 3abm h SER 143 CO 0.09 0.86 -0.53 -0.29 -0.87 0.00 0.00 176.83 176.08 3abm h ILE 144 N 0.25 1.38 -0.44 0.95 2.10 -0.98 -1.13 117.51 119.64 3abm h ILE 144 Ca 0.00 -1.83 -0.04 0.00 1.08 0.00 0.00 64.86 64.07 3abm h ILE 144 Cb 1.07 1.99 -0.02 0.00 -1.09 0.00 0.00 36.82 38.77 3abm h ILE 144 CO 0.09 0.52 0.11 0.74 -1.08 0.00 0.00 178.15 178.54 3abm h THR 145 N 0.00 1.23 -0.34 2.19 2.02 -1.35 -1.38 112.91 115.28 3abm h THR 145 Ca -0.01 -0.80 0.06 0.00 0.77 0.00 0.00 66.41 66.43 3abm h THR 145 Cb 0.94 0.92 -0.06 0.00 -1.74 0.00 0.00 68.15 68.21 3abm h THR 145 CO 0.07 0.28 -0.00 -0.25 0.37 0.00 0.00 175.52 175.99 3abm h TRP 146 N 0.58 -0.03 -0.67 3.16 7.01 -1.20 -1.78 115.95 123.02 3abm h TRP 146 Ca 0.14 0.03 0.13 0.00 2.11 0.00 0.00 58.89 61.29 3abm h TRP 146 Cb 0.31 0.06 -0.09 0.00 -2.10 0.00 0.00 29.16 27.35 3abm h TRP 146 CO 0.02 -0.07 0.19 0.00 -2.79 0.00 0.00 178.44 175.79 3abm h ALA 147 N 1.30 0.85 -0.30 2.65 0.00 -1.08 -0.59 119.26 122.09 3abm h ALA 147 Ca 0.17 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3abm h ALA 147 Cb 0.23 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3abm h ALA 147 CO -0.28 -0.28 0.03 1.25 0.00 0.00 0.00 179.25 179.97 3abm h HIS 148 N 0.32 0.54 -0.85 0.00 -0.00 -0.88 -1.43 115.15 112.86 3abm h HIS 148 Ca 0.36 -0.08 -0.00 0.00 -0.00 0.00 0.00 60.37 60.64 3abm h HIS 148 Cb 0.55 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.78 3abm h HIS 148 CO -0.23 0.61 0.52 0.45 -0.00 0.00 0.00 177.93 179.28 3abm h HIS 149 N 0.32 1.12 -0.43 5.26 -0.00 -1.14 -1.57 115.15 118.71 3abm h HIS 149 Ca 0.09 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.52 3abm h HIS 149 Cb 0.38 -0.37 -0.05 0.00 -0.00 0.00 0.00 27.41 27.37 3abm h HIS 149 CO 0.03 0.74 0.13 0.77 -0.00 0.00 0.00 177.93 179.60 3abm h SER 150 N 1.17 0.11 -0.14 2.45 0.02 -1.05 -0.07 113.55 116.03 3abm h SER 150 Ca 0.31 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3abm h SER 150 Cb -0.05 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3abm h SER 150 CO -0.06 0.09 0.07 0.25 -1.14 0.00 0.00 176.83 176.05 3abm h LEU 151 N 0.28 0.18 -1.66 5.07 5.85 -0.83 0.15 115.31 124.35 3abm h LEU 151 Ca 0.20 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3abm h LEU 151 Cb 0.22 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3abm h LEU 151 CO -0.23 0.25 0.29 0.24 -0.34 0.00 0.00 178.44 178.65 3abm h MET 152 N 0.11 0.42 -0.09 1.25 2.86 -1.18 -2.07 114.93 116.23 3abm h MET 152 Ca 0.05 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3abm h MET 152 Cb 0.11 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3abm h MET 152 CO -0.01 0.28 0.00 0.39 1.06 0.00 0.00 176.91 178.63 3abm n GLU 153 N -4.48 1.41 -1.52 1.72 1.02 -0.05 -4.89 120.64 113.85 3abm n GLU 153 Ca 0.05 -0.61 -0.03 0.00 -0.02 0.00 0.00 57.16 56.55 3abm n GLU 153 Cb 0.19 -1.35 -0.01 0.00 -0.02 0.00 0.00 31.44 30.25 3abm n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3abm n GLY 154 N 0.98 0.45 3.29 0.62 0.00 -0.71 -5.00 105.19 104.82 3abm n GLY 154 Ca 0.15 -0.86 -0.44 0.00 0.00 0.00 0.00 46.02 44.87 3abm n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3abm s ASP 155 N -2.92 5.97 0.08 1.61 -1.08 0.44 -4.95 116.67 115.82 3abm s ASP 155 Ca 0.00 -1.70 -0.18 0.00 -0.52 0.00 0.00 52.55 50.15 3abm s ASP 155 Cb 0.00 -2.12 -0.09 0.00 -1.46 0.00 0.00 42.92 39.25 3abm s ASP 155 CO 0.00 -0.73 1.48 -0.09 0.52 0.00 0.00 175.17 176.35 3abm h ARG 156 N 8.68 0.47 -0.20 4.34 2.43 -1.95 -2.25 114.38 125.91 3abm h ARG 156 Ca -0.26 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 58.66 3abm h ARG 156 Cb 1.09 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3abm h ARG 156 CO 0.92 0.69 -0.16 -0.22 -1.51 0.00 0.00 179.97 179.69 3abm h LYS 157 N 0.22 0.45 0.00 0.20 3.64 -1.97 -1.51 116.57 117.61 3abm h LYS 157 Ca 0.06 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.12 3abm h LYS 157 Cb 0.51 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3abm h LYS 157 CO 0.02 0.79 -0.47 0.45 -2.27 0.00 0.00 179.45 177.97 3abm h HIS 158 N 0.13 0.00 0.38 1.91 3.86 -1.96 -1.13 115.15 118.34 3abm h HIS 158 Ca 0.04 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3abm h HIS 158 Cb 0.69 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.15 3abm h HIS 158 CO 0.08 0.47 -0.25 1.98 0.86 0.00 0.00 177.93 181.06 3abm h MET 159 N 0.00 -0.59 -0.72 2.45 1.85 -1.25 -0.62 114.93 116.05 3abm h MET 159 Ca -0.00 0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.12 3abm h MET 159 Cb 0.92 0.13 -0.04 0.00 0.43 0.00 0.00 31.60 33.05 3abm h MET 159 CO 0.06 -0.40 0.42 -0.07 -0.40 0.00 0.00 176.91 176.53 3abm h LEU 160 N -0.62 0.86 -0.28 3.39 3.38 -1.08 0.48 115.31 121.44 3abm h LEU 160 Ca -0.04 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.68 3abm h LEU 160 Cb 0.52 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3abm h LEU 160 CO 0.03 0.67 -0.75 -0.61 0.09 0.00 0.00 178.44 177.87 3abm h GLN 161 N 0.99 0.61 -0.40 1.13 4.15 -1.00 -1.60 115.11 118.99 3abm h GLN 161 Ca 0.26 -0.49 -0.14 0.00 0.77 0.00 0.00 58.65 59.04 3abm h GLN 161 Cb -0.03 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 3abm h GLN 161 CO -0.05 1.11 -0.32 0.00 -1.93 0.00 0.00 178.83 177.65 3abm h ALA 162 N 0.75 0.57 -0.53 3.38 0.00 -0.62 -1.27 119.26 121.53 3abm h ALA 162 Ca -0.04 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 3abm h ALA 162 Cb 1.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3abm h ALA 162 CO 0.14 0.63 0.00 1.25 0.00 0.00 0.00 179.25 181.27 3abm h LEU 163 N 0.73 0.88 -0.23 0.00 5.85 -0.92 -1.29 115.31 120.32 3abm h LEU 163 Ca 0.07 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3abm h LEU 163 Cb 0.90 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3abm h LEU 163 CO 0.08 0.94 0.12 0.15 -0.34 0.00 0.00 178.44 179.39 3abm h PHE 164 N 0.84 0.32 -1.00 1.25 3.57 -1.11 -0.64 116.94 120.17 3abm h PHE 164 Ca 0.16 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.76 3abm h PHE 164 Cb 0.49 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.05 3abm h PHE 164 CO 0.03 0.30 0.63 0.82 -2.23 0.00 0.00 178.31 177.87 3abm h ILE 165 N 0.25 0.94 -0.45 1.41 2.04 -1.13 -0.57 117.51 119.99 3abm h ILE 165 Ca 0.08 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 3abm h ILE 165 Cb 0.09 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.00 3abm h ILE 165 CO -0.01 0.19 -0.08 0.74 0.00 0.00 0.00 178.15 178.98 3abm h THR 166 N 1.02 1.27 -0.33 -0.27 2.02 -0.77 -2.12 112.91 113.72 3abm h THR 166 Ca 0.49 -1.18 -0.05 0.00 0.77 0.00 0.00 66.41 66.43 3abm h THR 166 Cb 0.45 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3abm h THR 166 CO -0.25 0.41 0.01 0.40 0.37 0.00 0.00 175.52 176.46 3abm h ILE 167 N 0.69 1.25 -0.51 3.11 2.04 -0.59 -1.61 117.51 121.90 3abm h ILE 167 Ca 0.12 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.05 3abm h ILE 167 Cb 0.61 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 3abm h ILE 167 CO 0.04 0.31 0.34 0.74 0.00 0.00 0.00 178.15 179.58 3abm h THR 168 N 0.39 1.11 -0.19 -0.27 2.02 -1.02 0.10 112.91 115.05 3abm h THR 168 Ca 0.10 -0.23 -0.19 0.00 0.77 0.00 0.00 66.41 66.86 3abm h THR 168 Cb 0.43 0.39 0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3abm h THR 168 CO 0.02 0.12 -0.60 -0.07 0.37 0.00 0.00 175.52 175.35 3abm h LEU 169 N 0.66 0.86 -0.24 2.58 3.38 -1.09 0.40 115.31 121.86 3abm h LEU 169 Ca 0.19 -0.59 0.04 0.00 0.09 0.00 0.00 57.88 57.61 3abm h LEU 169 Cb -0.03 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3abm h LEU 169 CO -0.04 1.30 0.02 1.23 0.09 0.00 0.00 178.44 181.04 3abm h GLY 170 N 0.47 0.25 0.72 0.83 0.00 -0.24 -0.74 103.07 104.36 3abm h GLY 170 Ca -0.02 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.34 3abm h GLY 170 CO 0.13 -0.03 -0.07 -2.08 0.00 0.00 0.00 176.54 174.49 3abm h VAL 171 N 0.10 0.79 -0.73 4.60 2.07 -0.74 -1.66 116.25 120.68 3abm h VAL 171 Ca 0.11 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.77 3abm h VAL 171 Cb 0.13 0.79 -0.09 0.00 -1.52 0.00 0.00 31.29 30.60 3abm h VAL 171 CO -0.18 0.00 0.27 0.22 0.02 0.00 0.00 177.57 177.91 3abm h TYR 172 N -0.09 0.46 -0.93 1.57 3.20 -0.71 -0.87 116.97 119.60 3abm h TYR 172 Ca 0.05 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.00 3abm h TYR 172 Cb 0.17 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 3abm h TYR 172 CO -0.17 0.05 0.60 0.35 -1.64 0.00 0.00 178.16 177.35 3abm h PHE 173 N 0.41 1.13 -0.34 -3.82 3.57 -0.66 0.19 116.94 117.42 3abm h PHE 173 Ca 0.40 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.81 3abm h PHE 173 Cb 0.61 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3abm h PHE 173 CO -0.18 0.65 -0.28 1.15 -2.23 0.00 0.00 178.31 177.42 3abm h THR 174 N 1.17 1.28 0.02 4.41 2.02 -0.72 0.22 112.91 121.29 3abm h THR 174 Ca 0.37 -1.39 -0.25 0.00 0.77 0.00 0.00 66.41 65.91 3abm h THR 174 Cb 0.01 1.31 0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3abm h THR 174 CO -0.12 0.46 -1.02 -0.07 0.37 0.00 0.00 175.52 175.13 3abm h LEU 175 N 0.61 0.69 -0.70 2.58 3.38 -0.52 -0.62 115.31 120.73 3abm h LEU 175 Ca 0.08 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 3abm h LEU 175 Cb 0.78 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3abm h LEU 175 CO 0.06 1.37 0.34 -0.07 0.09 0.00 0.00 178.44 180.24 3abm h LEU 176 N 0.29 0.91 -0.31 1.67 3.38 -0.30 -1.72 115.31 119.22 3abm h LEU 176 Ca -0.11 -0.13 -0.20 0.00 0.09 0.00 0.00 57.88 57.53 3abm h LEU 176 Cb 1.67 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.19 3abm h LEU 176 CO 0.19 0.78 -0.68 -0.61 0.09 0.00 0.00 178.44 178.21 3abm h GLN 177 N 0.97 0.68 -0.89 1.13 5.75 -0.83 -0.78 115.11 121.14 3abm h GLN 177 Ca 0.24 -0.50 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 3abm h GLN 177 Cb 0.11 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.71 3abm h GLN 177 CO -0.03 1.12 0.57 0.00 -2.65 0.00 0.00 178.83 177.84 3abm h ALA 178 N 0.75 1.13 -0.49 3.38 0.00 -0.83 -1.10 119.26 122.08 3abm h ALA 178 Ca -0.02 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3abm h ALA 178 Cb 1.28 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3abm h ALA 178 CO 0.14 0.55 -0.09 1.03 0.00 0.00 0.00 179.25 180.87 3abm h SER 179 N 1.21 0.94 -0.77 0.00 0.87 -1.14 -1.79 113.55 112.87 3abm h SER 179 Ca 0.32 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 3abm h SER 179 Cb -0.11 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 61.56 3abm h SER 179 CO -0.07 1.07 0.40 -0.33 -0.53 0.00 0.00 176.83 177.37 3abm h GLU 180 N 0.79 1.10 -0.54 2.24 4.39 -0.92 -0.17 114.58 121.46 3abm h GLU 180 Ca 0.13 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3abm h GLU 180 Cb 0.64 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 3abm h GLU 180 CO 0.04 0.82 0.30 1.88 -1.16 0.00 0.00 179.01 180.90 3abm h TYR 181 N 1.10 0.74 -0.40 4.33 -1.99 -0.90 -0.15 116.97 119.70 3abm h TYR 181 Ca 0.27 -0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.89 3abm h TYR 181 Cb 0.07 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 38.55 3abm h TYR 181 CO 0.01 0.54 -0.13 -0.92 -0.00 0.00 0.00 178.16 177.65 3abm h TYR 182 N 0.72 0.90 0.00 4.88 5.03 -0.73 -3.22 116.97 124.56 3abm h TYR 182 Ca 0.19 -0.21 -0.06 0.00 2.58 0.00 0.00 58.73 61.24 3abm h TYR 182 Cb 0.04 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.10 3abm h TYR 182 CO -0.02 0.94 -0.29 0.93 -1.32 0.00 0.00 178.16 178.41 3abm h GLU 183 N 0.60 0.00 -6.67 1.82 4.39 -0.92 -3.46 114.58 110.34 3abm h GLU 183 Ca 0.10 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.27 3abm h GLU 183 Cb 0.67 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.38 3abm h GLU 183 CO 0.05 0.29 1.00 0.00 -1.16 0.00 0.00 179.01 179.18 3abm s ALA 184 N -3.70 3.92 -0.93 3.43 0.00 -0.08 -4.88 121.76 119.52 3abm s ALA 184 Ca -0.00 1.58 0.26 0.00 0.00 0.00 0.00 51.96 53.81 3abm s ALA 184 Cb 0.11 -3.69 1.07 0.00 0.00 0.00 0.00 23.12 20.60 3abm s ALA 184 CO 0.66 -0.93 1.83 -0.35 0.00 0.00 0.00 175.76 176.97 3abm n PRO 185 N 3.83 0.06 -4.11 0.00 -0.04 -1.26 -4.76 135.00 128.71 3abm n PRO 185 Ca 0.15 0.09 -0.23 0.00 -0.04 0.00 0.00 63.50 63.47 3abm n PRO 185 Cb 0.35 -1.57 -0.05 0.00 -0.04 0.00 0.00 33.50 32.20 3abm n PRO 185 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3abm s PHE 186 N -3.03 3.11 0.34 0.54 -0.12 -1.26 -5.03 117.98 112.53 3abm s PHE 186 Ca 0.12 -0.09 0.03 0.00 -0.05 0.00 0.00 56.93 56.94 3abm s PHE 186 Cb 0.16 -1.43 -0.04 0.00 -0.63 0.00 0.00 43.02 41.08 3abm s PHE 186 CO 0.50 0.52 0.10 0.95 -0.05 0.00 0.00 175.22 177.24 3abm s THR 187 N -2.03 0.76 0.57 -4.49 -4.23 -1.26 -5.02 115.64 99.94 3abm s THR 187 Ca 0.32 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.10 3abm s THR 187 Cb -0.08 -2.58 0.36 0.00 1.34 0.00 0.00 72.50 71.54 3abm s THR 187 CO 0.24 0.00 2.08 -0.29 -0.54 0.00 0.00 174.62 176.11 3abm h ILE 188 N 2.06 0.54 -0.26 2.99 2.10 -1.96 -1.88 117.51 121.11 3abm h ILE 188 Ca -0.37 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.57 3abm h ILE 188 Cb 1.26 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 3abm h ILE 188 CO 0.61 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 176.14 3abm n SER 189 N -3.94 1.64 -3.62 2.19 3.41 -1.26 -3.52 113.62 108.52 3abm n SER 189 Ca 0.03 -1.87 -0.41 0.00 -0.26 0.00 0.00 58.87 56.36 3abm n SER 189 Cb 0.37 -0.17 -0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3abm n SER 189 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3abm n ASP 190 N 0.36 6.91 0.00 4.04 8.00 -0.71 -4.95 116.55 130.19 3abm n ASP 190 Ca 0.13 -3.09 0.00 0.00 0.71 0.00 0.00 54.79 52.54 3abm n ASP 190 Cb 0.29 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 39.97 3abm n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3abm n GLY 191 N 2.27 0.77 0.23 0.44 0.00 -1.26 -2.23 105.19 105.41 3abm n GLY 191 Ca 0.55 -0.78 0.14 0.00 0.00 0.00 0.00 46.02 45.92 3abm n GLY 191 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3abm h VAL 192 N 0.00 0.00 0.16 1.61 3.04 -1.92 -1.43 116.25 117.70 3abm h VAL 192 Ca 0.00 -0.82 -0.01 0.00 -1.01 0.00 0.00 66.70 64.87 3abm h VAL 192 Cb 0.00 1.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 3abm h VAL 192 CO 0.00 0.00 -0.08 0.22 -1.01 0.00 0.00 177.57 176.70 3abm h TYR 193 N 0.00 -0.20 -0.10 3.17 3.20 -1.96 -0.89 116.97 120.21 3abm h TYR 193 Ca 0.00 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 3abm h TYR 193 Cb 0.83 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 3abm h TYR 193 CO 0.00 0.18 -0.38 0.78 -1.64 0.00 0.00 178.16 177.10 3abm h GLY 194 N -0.62 0.22 0.45 1.82 0.00 -1.27 -1.50 103.07 102.17 3abm h GLY 194 Ca -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3abm h GLY 194 CO 0.04 0.18 -0.22 1.76 0.00 0.00 0.00 176.54 178.29 3abm h SER 195 N 0.17 -0.51 -0.68 0.19 0.02 -1.18 0.28 113.55 111.85 3abm h SER 195 Ca 0.02 0.02 0.13 0.00 -0.84 0.00 0.00 61.79 61.11 3abm h SER 195 Cb 0.75 0.13 -0.09 0.00 0.14 0.00 0.00 62.40 63.33 3abm h SER 195 CO 0.06 -0.31 0.20 0.71 -1.14 0.00 0.00 176.83 176.35 3abm h THR 196 N -0.71 0.64 0.43 -2.27 1.35 -1.19 -1.83 112.91 109.31 3abm h THR 196 Ca -0.06 -0.11 -0.01 0.00 -0.55 0.00 0.00 66.41 65.67 3abm h THR 196 Cb 0.46 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.15 3abm h THR 196 CO 0.10 0.06 -0.27 0.15 -0.25 0.00 0.00 175.52 175.31 3abm h PHE 197 N 0.34 -0.71 -0.09 4.73 3.57 -1.22 -2.17 116.94 121.38 3abm h PHE 197 Ca 0.36 -0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.64 3abm h PHE 197 Cb 0.55 0.25 0.01 0.00 2.79 0.00 0.00 35.95 39.56 3abm h PHE 197 CO -0.22 -0.41 -0.79 0.74 -2.23 0.00 0.00 178.31 175.39 3abm h PHE 198 N -0.67 0.98 -0.16 0.41 -1.00 -0.95 -2.34 116.94 113.21 3abm h PHE 198 Ca -0.05 -0.47 -0.03 0.00 2.81 0.00 0.00 57.97 60.23 3abm h PHE 198 Cb 0.55 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 3abm h PHE 198 CO -0.10 1.29 -0.03 0.28 -1.61 0.00 0.00 178.31 178.14 3abm h VAL 199 N 0.39 1.29 0.24 -0.55 2.07 -1.42 0.13 116.25 118.39 3abm h VAL 199 Ca -0.07 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 3abm h VAL 199 Cb 1.44 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3abm h VAL 199 CO 0.16 0.29 -0.12 0.00 0.02 0.00 0.00 177.57 177.93 3abm h ALA 200 N 0.72 -0.32 0.00 1.67 0.00 -1.49 -1.80 119.26 118.04 3abm h ALA 200 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3abm h ALA 200 Cb 0.46 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3abm h ALA 200 CO 0.01 -0.62 -0.11 1.79 0.00 0.00 0.00 179.25 180.32 3abm h THR 201 N -0.45 0.26 0.03 0.00 1.35 -1.51 -2.31 112.91 110.29 3abm h THR 201 Ca -0.03 -0.93 -0.10 0.00 -0.55 0.00 0.00 66.41 64.80 3abm h THR 201 Cb 0.34 1.75 0.01 0.00 -1.73 0.00 0.00 68.15 68.52 3abm h THR 201 CO 0.05 0.11 -0.40 1.23 -0.25 0.00 0.00 175.52 176.27 3abm h GLY 202 N 2.51 0.24 1.30 5.82 0.00 -0.57 0.11 103.07 112.47 3abm h GLY 202 Ca -0.00 -0.48 0.04 0.00 0.00 0.00 0.00 47.33 46.89 3abm h GLY 202 CO 0.01 0.42 0.39 0.74 0.00 0.00 0.00 176.54 178.10 3abm h PHE 203 N -0.49 0.64 -0.30 5.60 0.04 -1.34 -0.98 116.94 120.10 3abm h PHE 203 Ca -0.06 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 3abm h PHE 203 Cb 1.21 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 39.13 3abm h PHE 203 CO 0.20 0.37 0.09 1.25 -0.60 0.00 0.00 178.31 179.61 3abm h HIS 204 N 0.66 0.48 -0.87 -0.55 2.76 -1.27 -1.62 115.15 114.73 3abm h HIS 204 Ca 0.24 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.36 3abm h HIS 204 Cb 0.12 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 28.90 3abm h HIS 204 CO -0.00 0.50 0.54 0.78 -1.30 0.00 0.00 177.93 178.45 3abm h GLY 205 N 0.32 1.25 0.45 5.26 0.00 -0.30 0.07 103.07 110.11 3abm h GLY 205 Ca 0.10 -0.51 0.06 0.00 0.00 0.00 0.00 47.33 46.98 3abm h GLY 205 CO -0.00 0.49 -0.00 -2.00 0.00 0.00 0.00 176.54 175.03 3abm h LEU 206 N 1.19 -0.14 -1.71 3.11 5.85 -0.98 -1.36 115.31 121.27 3abm h LEU 206 Ca 0.31 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.15 3abm h LEU 206 Cb -0.07 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3abm h LEU 206 CO -0.06 -0.04 0.26 0.45 -0.34 0.00 0.00 178.44 178.71 3abm h HIS 207 N 0.09 0.36 -0.50 1.25 3.86 -0.28 -0.73 115.15 119.21 3abm h HIS 207 Ca 0.17 0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.26 3abm h HIS 207 Cb 0.23 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3abm h HIS 207 CO -0.24 0.21 -0.19 0.28 0.86 0.00 0.00 177.93 178.84 3abm h VAL 208 N 0.37 1.27 -0.19 2.45 2.07 -0.55 0.15 116.25 121.82 3abm h VAL 208 Ca 0.16 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 3abm h VAL 208 Cb 0.17 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3abm h VAL 208 CO -0.04 0.47 0.08 0.40 0.02 0.00 0.00 177.57 178.50 3abm h ILE 209 N 0.88 1.16 -0.48 4.57 2.04 -0.85 0.14 117.51 124.96 3abm h ILE 209 Ca 0.12 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3abm h ILE 209 Cb 0.77 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 3abm h ILE 209 CO 0.06 0.15 0.26 0.40 0.00 0.00 0.00 178.15 179.02 3abm h ILE 210 N 0.15 1.17 -0.50 -0.67 2.04 -1.10 -0.03 117.51 118.57 3abm h ILE 210 Ca 0.06 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 3abm h ILE 210 Cb 0.17 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3abm h ILE 210 CO -0.01 0.19 -0.01 1.23 0.00 0.00 0.00 178.15 179.55 3abm h GLY 211 N 0.64 0.91 1.12 5.37 0.00 -0.58 -1.90 103.07 108.64 3abm h GLY 211 Ca 0.17 -0.63 -0.14 0.00 0.00 0.00 0.00 47.33 46.72 3abm h GLY 211 CO -0.03 0.58 -0.28 1.76 0.00 0.00 0.00 176.54 178.58 3abm h SER 212 N 0.79 1.02 -0.97 0.19 0.02 -0.43 -0.55 113.55 113.63 3abm h SER 212 Ca 0.15 -0.42 0.04 0.00 -0.84 0.00 0.00 61.79 60.72 3abm h SER 212 Cb 0.49 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 3abm h SER 212 CO 0.02 1.22 0.63 0.74 -1.14 0.00 0.00 176.83 178.31 3abm h THR 213 N 0.83 1.16 -0.36 -2.27 2.02 -0.83 -0.06 112.91 113.40 3abm h THR 213 Ca 0.09 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.72 3abm h THR 213 Cb 0.87 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3abm h THR 213 CO 0.08 0.22 -0.33 0.15 0.37 0.00 0.00 175.52 176.01 3abm h PHE 214 N 1.21 0.94 -0.14 3.16 3.57 -1.08 0.59 116.94 125.19 3abm h PHE 214 Ca 0.39 -0.25 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 3abm h PHE 214 Cb 0.02 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3abm h PHE 214 CO -0.01 1.02 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.82 3abm h LEU 215 N 0.67 0.24 -0.14 0.59 3.38 -0.46 -1.50 115.31 118.09 3abm h LEU 215 Ca 0.07 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 3abm h LEU 215 Cb 0.88 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.57 3abm h LEU 215 CO 0.08 0.46 -0.58 0.40 0.09 0.00 0.00 178.44 178.88 3abm h ILE 216 N 0.22 1.33 -0.56 1.22 2.04 -0.25 0.59 117.51 122.10 3abm h ILE 216 Ca 0.04 -1.85 0.11 0.00 1.00 0.00 0.00 64.86 64.17 3abm h ILE 216 Cb 0.50 2.07 -0.09 0.00 -0.74 0.00 0.00 36.82 38.56 3abm h ILE 216 CO 0.03 0.57 0.00 0.58 0.00 0.00 0.00 178.15 179.33 3abm h VAL 217 N 0.29 0.55 -0.87 1.67 2.07 -0.51 -1.34 116.25 118.10 3abm h VAL 217 Ca -0.03 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3abm h VAL 217 Cb 1.22 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 3abm h VAL 217 CO 0.12 0.02 0.57 0.00 0.02 0.00 0.00 177.57 178.31 3abm h PHE 219 N 1.14 0.84 0.01 0.00 3.57 0.20 -0.89 116.94 121.80 3abm h PHE 219 Ca 0.33 -0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.62 3abm h PHE 219 Cb -0.07 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 3abm h PHE 219 CO -0.00 0.60 -0.91 0.74 -2.23 0.00 0.00 178.31 176.51 3abm h PHE 220 N 0.83 0.07 0.00 0.41 0.04 -0.79 -0.75 116.94 116.75 3abm h PHE 220 Ca 0.22 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.86 3abm h PHE 220 Cb 0.03 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3abm h PHE 220 CO -0.01 0.92 -0.42 0.00 -0.60 0.00 0.00 178.31 178.21 3abm h ARG 221 N 0.02 0.00 0.02 1.51 3.08 -0.94 -1.68 114.38 116.38 3abm h ARG 221 Ca -0.02 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 3abm h ARG 221 Cb 1.59 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.65 3abm h ARG 221 CO 0.12 0.42 -0.54 0.37 -1.07 0.00 0.00 179.97 179.27 3abm h GLN 222 N 0.00 0.33 -0.90 0.04 5.75 -0.85 -0.29 115.11 119.20 3abm h GLN 222 Ca -0.00 -0.38 0.24 0.00 -0.15 0.00 0.00 58.65 58.35 3abm h GLN 222 Cb 0.75 0.12 -0.13 0.00 1.07 0.00 0.00 27.48 29.28 3abm h GLN 222 CO 0.05 1.08 0.34 -0.07 -2.65 0.00 0.00 178.83 177.59 3abm h LEU 223 N -0.25 0.21 -0.56 -2.39 3.38 -1.04 0.42 115.31 115.09 3abm h LEU 223 Ca -0.07 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3abm h LEU 223 Cb 1.29 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.23 3abm h LEU 223 CO 0.11 -0.08 0.00 0.29 0.09 0.00 0.00 178.44 178.84 3abm n LYS 224 N -5.12 1.33 -2.17 1.13 5.02 -0.64 -4.93 118.16 112.77 3abm n LYS 224 Ca 0.23 -0.48 -0.14 0.00 -2.02 0.00 0.00 58.31 55.90 3abm n LYS 224 Cb 0.70 -1.14 -0.01 0.00 -0.02 0.00 0.00 35.03 34.56 3abm n LYS 224 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3abm n PHE 225 N -0.10 -0.59 0.14 2.13 3.01 0.14 -4.93 117.46 117.25 3abm n PHE 225 Ca 0.04 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.50 3abm n PHE 225 Cb 0.13 -2.95 0.16 0.00 -0.01 0.00 0.00 39.48 36.81 3abm n PHE 225 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3abm h HIS 226 N 0.00 0.00 -3.29 1.38 3.86 -1.26 -3.45 115.15 112.39 3abm h HIS 226 Ca -0.33 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.32 3abm h HIS 226 Cb 1.21 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.64 3abm h HIS 226 CO 0.38 0.61 -0.05 -0.06 0.86 0.00 0.00 177.93 179.67 3abm s PHE 227 N -3.47 3.70 0.46 2.45 0.08 -1.26 -4.93 117.98 115.01 3abm s PHE 227 Ca -0.01 1.18 0.08 0.00 0.12 0.00 0.00 56.93 58.30 3abm s PHE 227 Cb 0.12 -2.44 0.02 0.00 -0.57 0.00 0.00 43.02 40.15 3abm s PHE 227 CO 0.75 0.50 0.54 0.95 -0.10 0.00 0.00 175.22 177.86 3abm s THR 228 N -1.30 2.57 -0.93 0.64 -4.23 -0.46 -4.95 115.64 106.98 3abm s THR 228 Ca 0.34 -1.16 0.15 0.00 -1.18 0.00 0.00 61.69 59.83 3abm s THR 228 Cb -0.17 -2.73 0.13 0.00 1.34 0.00 0.00 72.50 71.06 3abm s THR 228 CO 0.19 0.00 1.46 -1.54 -0.54 0.00 0.00 174.62 174.19 3abm n SER 229 N -1.83 0.09 -0.00 3.99 3.41 -1.26 -3.32 113.62 114.70 3abm n SER 229 Ca 0.07 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3abm n SER 229 Cb 0.61 -0.54 -0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3abm n SER 229 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3abm n ASN 230 N -1.60 4.88 -4.00 4.04 3.02 -1.26 -4.17 115.26 116.17 3abm n ASN 230 Ca 0.03 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.27 3abm n ASN 230 Cb 0.16 0.91 -0.15 0.00 -0.61 0.00 0.00 39.78 40.09 3abm n ASN 230 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3abm s HIS 231 N -2.03 2.83 -0.46 3.10 2.46 -1.21 -4.97 115.29 115.01 3abm s HIS 231 Ca -0.00 -2.05 0.06 0.00 0.47 0.00 0.00 55.06 53.53 3abm s HIS 231 Cb 0.00 -1.78 0.30 0.00 -0.13 0.00 0.00 32.58 30.98 3abm s HIS 231 CO 0.02 -0.83 1.08 -2.39 -2.47 0.00 0.00 174.74 170.15 3abm n HIS 232 N 4.55 -2.88 -0.05 3.88 1.44 -1.26 -1.35 115.22 119.54 3abm n HIS 232 Ca -0.12 -1.97 -0.02 0.00 -2.01 0.00 0.00 57.72 53.59 3abm n HIS 232 Cb 0.43 1.60 0.23 0.00 0.12 0.00 0.00 29.99 32.37 3abm n HIS 232 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 3abm h PHE 233 N 3.22 0.68 -0.49 -1.40 3.04 -1.97 -1.94 116.94 118.08 3abm h PHE 233 Ca -0.12 -0.08 -0.06 0.00 3.98 0.00 0.00 57.97 61.68 3abm h PHE 233 Cb 1.09 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.39 3abm h PHE 233 CO 0.23 0.66 0.07 0.78 -2.02 0.00 0.00 178.31 178.02 3abm h GLY 234 N 0.92 0.88 0.96 2.40 0.00 -1.99 -0.23 103.07 106.01 3abm h GLY 234 Ca 0.12 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3abm h GLY 234 CO 0.02 0.55 -0.07 -2.75 0.00 0.00 0.00 176.54 174.29 3abm h PHE 235 N 0.68 -0.17 -0.71 5.60 3.57 -1.85 -2.02 116.94 122.03 3abm h PHE 235 Ca 0.15 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.78 3abm h PHE 235 Cb 0.41 0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.13 3abm h PHE 235 CO 0.03 -0.11 0.26 0.93 -2.23 0.00 0.00 178.31 177.19 3abm h GLU 236 N -0.17 0.39 -0.63 1.11 5.08 -0.77 -0.97 114.58 118.63 3abm h GLU 236 Ca -0.01 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3abm h GLU 236 Cb 0.15 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3abm h GLU 236 CO 0.01 0.26 0.22 0.00 -1.00 0.00 0.00 179.01 178.49 3abm h ALA 237 N 1.52 0.82 -0.11 3.43 0.00 -1.06 0.93 119.26 124.80 3abm h ALA 237 Ca 0.39 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3abm h ALA 237 Cb 0.57 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3abm h ALA 237 CO -0.40 0.47 -0.49 0.00 0.00 0.00 0.00 179.25 178.84 3abm h ALA 238 N 1.08 0.98 -0.17 0.00 0.00 -0.91 -0.07 119.26 120.16 3abm h ALA 238 Ca 0.21 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3abm h ALA 238 Cb 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3abm h ALA 238 CO -0.01 0.65 -0.09 0.00 0.00 0.00 0.00 179.25 179.80 3abm h ALA 239 N 1.27 0.24 0.08 0.00 0.00 -0.82 -0.85 119.26 119.18 3abm h ALA 239 Ca 0.01 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3abm h ALA 239 Cb 0.94 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3abm h ALA 239 CO 0.08 0.06 -0.16 -1.49 0.00 0.00 0.00 179.25 177.73 3abm h TRP 240 N 0.04 -0.43 -0.85 0.00 6.55 -0.70 -1.31 115.95 119.24 3abm h TRP 240 Ca 0.04 0.01 0.18 0.00 0.95 0.00 0.00 58.89 60.06 3abm h TRP 240 Cb 0.57 0.18 -0.11 0.00 -0.86 0.00 0.00 29.16 28.94 3abm h TRP 240 CO 0.07 -0.24 0.40 -0.92 -1.05 0.00 0.00 178.44 176.69 3abm h TYR 241 N -0.31 0.68 -0.32 0.49 3.20 -1.03 -1.52 116.97 118.15 3abm h TYR 241 Ca 0.03 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3abm h TYR 241 Cb 0.34 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3abm h TYR 241 CO -0.18 0.07 0.17 2.35 -1.64 0.00 0.00 178.16 178.93 3abm h TRP 242 N 0.50 0.44 -0.04 -3.82 2.91 -0.88 0.22 115.95 115.30 3abm h TRP 242 Ca 0.49 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.47 3abm h TRP 242 Cb 0.81 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.32 3abm h TRP 242 CO -0.12 0.36 -0.12 0.45 -1.03 0.00 0.00 178.44 177.98 3abm h HIS 243 N 0.40 0.06 0.16 2.65 3.86 -0.81 -0.96 115.15 120.50 3abm h HIS 243 Ca 0.11 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3abm h HIS 243 Cb 0.07 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.52 3abm h HIS 243 CO -0.03 0.18 -0.08 0.35 0.86 0.00 0.00 177.93 179.22 3abm h PHE 244 N 0.05 -0.20 -1.00 2.45 3.04 -0.23 0.32 116.94 121.38 3abm h PHE 244 Ca 0.01 -0.00 0.22 0.00 3.98 0.00 0.00 57.97 62.17 3abm h PHE 244 Cb 0.25 0.06 -0.10 0.00 2.56 0.00 0.00 35.95 38.73 3abm h PHE 244 CO 0.00 0.19 0.62 0.28 -2.02 0.00 0.00 178.31 177.38 3abm h VAL 245 N -0.63 0.64 -0.24 1.41 2.07 0.12 -1.24 116.25 118.38 3abm h VAL 245 Ca -0.02 -0.21 -0.19 0.00 0.82 0.00 0.00 66.70 67.10 3abm h VAL 245 Cb 0.47 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3abm h VAL 245 CO 0.04 0.11 -0.60 -0.78 0.02 0.00 0.00 177.57 176.36 3abm h ASP 246 N 0.61 0.89 -0.26 0.57 3.58 -0.79 -2.14 116.42 118.88 3abm h ASP 246 Ca 0.58 -0.50 -0.18 0.00 0.42 0.00 0.00 57.03 57.35 3abm h ASP 246 Cb 1.11 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.91 3abm h ASP 246 CO -0.35 1.28 -0.53 0.58 -2.88 0.00 0.00 179.24 177.35 3abm h VAL 247 N 0.59 1.28 -0.76 2.25 2.07 -0.28 -1.81 116.25 119.59 3abm h VAL 247 Ca -0.00 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 65.79 3abm h VAL 247 Cb 1.20 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 3abm h VAL 247 CO 0.13 0.56 0.40 0.58 0.02 0.00 0.00 177.57 179.26 3abm h VAL 248 N 0.66 1.23 -0.12 2.57 2.07 -1.24 -1.96 116.25 119.46 3abm h VAL 248 Ca 0.02 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3abm h VAL 248 Cb 1.13 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3abm h VAL 248 CO 0.12 0.26 -0.03 -0.25 0.02 0.00 0.00 177.57 177.68 3abm h TRP 249 N 1.07 -0.07 -0.77 1.57 2.91 -0.85 -0.05 115.95 119.76 3abm h TRP 249 Ca 0.27 0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.40 3abm h TRP 249 Cb 0.04 0.05 -0.08 0.00 -0.51 0.00 0.00 29.16 28.67 3abm h TRP 249 CO 0.01 -0.05 0.40 -0.07 -1.03 0.00 0.00 178.44 177.69 3abm h LEU 250 N -0.00 0.52 -0.64 0.65 3.38 -0.84 0.56 115.31 118.93 3abm h LEU 250 Ca 0.06 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3abm h LEU 250 Cb 0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3abm h LEU 250 CO -0.12 0.28 -0.11 -0.26 0.09 0.00 0.00 178.44 178.31 3abm h PHE 251 N 0.65 1.05 -0.38 1.13 -1.00 -1.11 -1.43 116.94 115.86 3abm h PHE 251 Ca 0.39 -0.21 -0.10 0.00 2.81 0.00 0.00 57.97 60.85 3abm h PHE 251 Cb 0.43 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 3abm h PHE 251 CO -0.09 0.99 -0.17 -0.07 -1.61 0.00 0.00 178.31 177.36 3abm h LEU 252 N 0.84 0.80 0.07 1.54 3.38 0.72 -0.12 115.31 122.55 3abm h LEU 252 Ca 0.13 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3abm h LEU 252 Cb 0.66 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3abm h LEU 252 CO 0.05 1.02 -0.03 0.22 0.09 0.00 0.00 178.44 179.79 3abm h TYR 253 N 0.58 -0.08 -0.37 1.13 3.20 0.17 0.42 116.97 122.02 3abm h TYR 253 Ca 0.09 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3abm h TYR 253 Cb 0.71 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 3abm h TYR 253 CO 0.06 0.03 0.24 0.28 -1.64 0.00 0.00 178.16 177.13 3abm h VAL 254 N -0.19 1.10 0.10 1.81 2.07 -1.26 0.27 116.25 120.15 3abm h VAL 254 Ca -0.01 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3abm h VAL 254 Cb 0.16 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3abm h VAL 254 CO 0.02 0.09 -0.05 0.28 0.02 0.00 0.00 177.57 177.93 3abm h SER 255 N 0.50 -0.11 0.04 0.57 0.02 -0.86 -0.98 113.55 112.73 3abm h SER 255 Ca 0.13 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.72 3abm h SER 255 Cb -0.05 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3abm h SER 255 CO -0.03 0.48 -0.62 0.40 -1.14 0.00 0.00 176.83 175.92 3abm h ILE 256 N -1.00 1.44 0.22 3.27 2.04 -1.07 0.26 117.51 122.68 3abm h ILE 256 Ca -0.01 -2.34 -0.32 0.00 1.00 0.00 0.00 64.86 63.18 3abm h ILE 256 Cb 0.35 2.99 0.03 0.00 -0.74 0.00 0.00 36.82 39.45 3abm h ILE 256 CO 0.02 0.57 -1.43 1.88 0.00 0.00 0.00 178.15 179.19 3abm h TYR 257 N -0.81 0.85 0.00 1.37 0.05 -1.34 -3.21 116.97 113.88 3abm h TYR 257 Ca -0.15 -0.62 -0.03 0.00 0.05 0.00 0.00 58.73 57.98 3abm h TYR 257 Cb 1.27 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.97 3abm h TYR 257 CO 0.20 1.49 -0.93 1.87 -1.05 0.00 0.00 178.16 179.75 3abm n TRP 258 N -3.66 0.36 -0.03 4.88 -0.00 0.06 -3.90 117.44 115.15 3abm n TRP 258 Ca -0.15 0.16 -0.11 0.00 -0.00 0.00 0.00 57.50 57.40 3abm n TRP 258 Cb 1.08 -0.65 0.02 0.00 -0.00 0.00 0.00 31.31 31.77 3abm n TRP 258 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 3abm h TRP 259 N -1.00 0.86 -0.12 5.87 7.01 -1.22 -2.99 115.95 124.37 3abm h TRP 259 Ca -0.05 -0.30 0.00 0.00 2.11 0.00 0.00 58.89 60.65 3abm h TRP 259 Cb 0.87 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.77 3abm h TRP 259 CO -0.32 1.06 0.00 0.41 -2.79 0.00 0.00 178.44 176.81 3abm n GLY 260 N 0.25 -0.43 0.86 2.65 0.00 0.08 -5.00 105.19 103.60 3abm n GLY 260 Ca -0.03 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.96 3abm n GLY 260 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18