#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gaa n ILE 5 N 0.00 -4.61 -2.70 3.17 -0.00 -1.26 -5.05 119.36 108.91 3gaa n ILE 5 Ca 0.00 -0.80 -0.04 0.00 -0.00 0.00 0.00 62.75 61.91 3gaa n ILE 5 Cb 0.00 -3.54 0.02 0.00 -0.00 0.00 0.00 39.64 36.11 3gaa n ILE 5 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.55 177.70 3gaa n MET 6 N -4.42 0.74 -3.68 0.38 0.00 -1.26 -5.14 117.12 103.74 3gaa n MET 6 Ca -0.14 -0.53 -0.24 0.00 0.00 0.00 0.00 57.70 56.79 3gaa n MET 6 Cb 0.60 -0.08 -0.17 0.00 0.00 0.00 0.00 33.22 33.57 3gaa n MET 6 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3gaa s VAL 7 N 0.04 0.08 -0.22 3.17 1.01 -1.26 -5.14 120.40 118.08 3gaa s VAL 7 Ca 0.11 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 3gaa s VAL 7 Cb -0.01 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3gaa s VAL 7 CO 0.07 -0.01 0.31 0.20 0.00 0.00 0.00 175.10 175.68 3gaa s ASN 8 N 2.08 6.32 0.53 3.32 0.02 -1.26 -5.07 114.94 120.87 3gaa s ASN 8 Ca 0.03 0.37 -0.06 0.00 -1.02 0.00 0.00 52.86 52.18 3gaa s ASN 8 Cb -0.14 -2.19 -0.02 0.00 0.02 0.00 0.00 41.25 38.92 3gaa s ASN 8 CO -0.06 -0.03 0.85 -0.54 0.02 0.00 0.00 177.10 177.33 3gaa s LYS 9 N 1.24 3.38 0.00 -0.60 3.01 -1.26 -5.06 119.74 120.45 3gaa s LYS 9 Ca 0.15 0.21 0.00 0.00 -1.01 0.00 0.00 55.97 55.31 3gaa s LYS 9 Cb -0.14 -2.31 0.00 0.00 -1.01 0.00 0.00 37.83 34.36 3gaa s LYS 9 CO 0.07 -0.38 0.38 1.63 0.51 0.00 0.00 175.35 177.56 3gaa n LYS 10 N -2.41 0.00 0.00 1.68 4.76 -1.26 -3.21 118.16 117.73 3gaa n LYS 10 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 3gaa n LYS 10 Cb 0.56 -0.88 0.00 0.00 -1.84 0.00 0.00 35.03 32.87 3gaa n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3gaa n ALA 11 N -0.73 0.98 0.59 7.82 0.00 -1.26 -1.43 120.51 126.49 3gaa n ALA 11 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3gaa n ALA 11 Cb 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 19.45 18.83 3gaa n ALA 11 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gaa n SER 12 N -0.73 0.62 -0.35 0.00 7.64 -1.20 -4.57 113.62 115.04 3gaa n SER 12 Ca 0.00 -0.21 -0.11 0.00 1.01 0.00 0.00 58.87 59.56 3gaa n SER 12 Cb 0.00 0.76 -0.09 0.00 -1.01 0.00 0.00 64.21 63.87 3gaa n SER 12 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3gaa h GLU 13 N 0.00 -0.09 -0.02 1.43 4.39 -1.35 0.56 114.58 119.49 3gaa h GLU 13 Ca 0.00 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3gaa h GLU 13 Cb 0.72 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.39 3gaa h GLU 13 CO 0.00 -0.06 0.31 0.66 -1.16 0.00 0.00 179.01 178.76 3gaa h SER 14 N -0.10 0.00 0.00 1.42 4.64 -1.80 -1.54 113.55 116.16 3gaa h SER 14 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3gaa h SER 14 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3gaa h SER 14 CO -0.86 0.00 -0.49 1.67 -0.87 0.00 0.00 176.83 176.28 3gaa n GLN 15 N -2.94 0.44 0.32 4.77 0.00 0.19 -1.28 117.38 118.87 3gaa n GLN 15 Ca -0.02 0.52 0.20 0.00 -0.00 0.00 0.00 57.00 57.70 3gaa n GLN 15 Cb 0.37 -1.66 1.06 0.00 0.00 0.00 0.00 30.24 30.01 3gaa n GLN 15 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 3gaa h VAL 16 N -0.97 0.12 -0.01 1.69 3.04 -1.38 -2.61 116.25 116.14 3gaa h VAL 16 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3gaa h VAL 16 Cb 0.49 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 3gaa h VAL 16 CO 0.00 0.00 -0.43 0.23 -1.01 0.00 0.00 177.57 176.36 3gaa n MET 17 N -3.23 1.86 -4.07 4.17 2.81 -0.59 -5.00 117.12 113.08 3gaa n MET 17 Ca -0.02 -0.56 -0.32 0.00 -1.81 0.00 0.00 57.70 54.99 3gaa n MET 17 Cb 0.16 -1.23 -0.03 0.00 -0.71 0.00 0.00 33.22 31.41 3gaa n MET 17 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3gaa n GLU 18 N -0.49 -1.66 -2.45 0.03 -0.58 -0.93 -4.86 120.64 109.70 3gaa n GLU 18 Ca 0.05 0.24 -0.18 0.00 -0.42 0.00 0.00 57.16 56.85 3gaa n GLU 18 Cb 0.29 -3.77 0.02 0.00 -0.57 0.00 0.00 31.44 27.41 3gaa n GLU 18 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3gaa n LEU 19 N -4.57 3.57 0.08 -4.62 0.00 -0.40 -4.88 117.00 106.19 3gaa n LEU 19 Ca -0.25 -4.41 -0.23 0.00 0.00 0.00 0.00 56.01 51.11 3gaa n LEU 19 Cb 0.66 -0.09 -0.15 0.00 0.00 0.00 0.00 43.42 43.84 3gaa n LEU 19 CO 0.77 1.86 -0.41 -0.08 0.00 0.00 0.00 177.39 179.53 3gaa h GLU 20 N 2.56 0.41 -0.49 1.96 4.57 -1.82 -3.18 114.58 118.60 3gaa h GLU 20 Ca 0.16 -0.70 0.14 0.00 -1.18 0.00 0.00 59.36 57.79 3gaa h GLU 20 Cb 1.20 0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 30.04 3gaa h GLU 20 CO 0.64 1.33 0.53 0.87 -1.18 0.00 0.00 179.01 181.20 3gaa h LYS 21 N 0.03 0.00 -0.91 1.92 6.56 -1.69 -2.46 116.57 120.02 3gaa h LYS 21 Ca -0.31 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.32 3gaa h LYS 21 Cb 2.04 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 33.65 3gaa h LYS 21 CO 0.19 0.00 0.60 -0.09 -2.06 0.00 0.00 179.45 178.09 3gaa h ARG 22 N 0.00 1.11 -0.95 3.15 2.43 -1.85 -2.46 114.38 115.81 3gaa h ARG 22 Ca 0.23 -0.07 -0.56 0.00 -0.81 0.00 0.00 59.98 58.77 3gaa h ARG 22 Cb 1.28 -0.25 -0.29 0.00 -0.42 0.00 0.00 29.97 30.29 3gaa h ARG 22 CO -0.00 0.74 0.65 0.27 -1.51 0.00 0.00 179.97 180.11 3gaa n ASN 23 N -4.44 5.26 -3.94 -3.80 0.23 -0.92 -4.91 115.26 102.74 3gaa n ASN 23 Ca 0.12 -3.70 -0.09 0.00 -0.53 0.00 0.00 54.58 50.38 3gaa n ASN 23 Cb 0.10 -0.87 -0.10 0.00 -2.08 0.00 0.00 39.78 36.84 3gaa n ASN 23 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 3gaa s TYR 24 N -3.52 0.22 -0.71 -2.53 2.02 -0.93 -4.93 117.35 106.98 3gaa s TYR 24 Ca 0.59 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.80 3gaa s TYR 24 Cb 0.48 -0.16 0.34 0.00 -0.40 0.00 0.00 41.96 42.23 3gaa s TYR 24 CO 0.05 -0.35 1.26 0.09 -1.57 0.00 0.00 175.55 175.04 3gaa n ASN 25 N 0.83 5.48 -2.40 2.29 3.02 -0.42 -4.88 115.26 119.17 3gaa n ASN 25 Ca -0.19 -3.70 -0.12 0.00 -0.03 0.00 0.00 54.58 50.54 3gaa n ASN 25 Cb 0.58 -0.75 0.05 0.00 -0.61 0.00 0.00 39.78 39.05 3gaa n ASN 25 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3gaa n ASN 26 N -0.22 -3.10 -4.78 6.41 5.15 -1.26 -4.60 115.26 112.87 3gaa n ASN 26 Ca 0.37 -0.35 -0.32 0.00 -0.60 0.00 0.00 54.58 53.68 3gaa n ASN 26 Cb 0.36 -3.22 0.06 0.00 -0.53 0.00 0.00 39.78 36.45 3gaa n ASN 26 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3gaa s PRO 27 N -5.21 2.66 0.00 1.20 0.04 -1.26 -3.41 135.00 129.02 3gaa s PRO 27 Ca 0.14 1.22 -0.18 0.00 0.04 0.00 0.00 61.00 62.23 3gaa s PRO 27 Cb -0.06 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 3gaa s PRO 27 CO 0.43 -1.34 0.52 0.54 0.04 0.00 0.00 177.00 177.19 3gaa s VAL 28 N -2.67 4.93 -0.23 -0.36 0.11 0.32 -0.84 120.40 121.66 3gaa s VAL 28 Ca 0.63 1.08 -0.03 0.00 -2.93 0.00 0.00 61.98 60.73 3gaa s VAL 28 Cb -0.18 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.83 3gaa s VAL 28 CO 0.48 0.49 -0.06 -0.69 -3.33 0.00 0.00 175.10 172.00 3gaa s VAL 29 N -0.60 3.12 -0.14 2.04 1.01 -0.56 -0.20 120.40 125.07 3gaa s VAL 29 Ca 0.28 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 3gaa s VAL 29 Cb -0.18 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3gaa s VAL 29 CO 0.16 0.37 0.16 -0.76 0.00 0.00 0.00 175.10 175.02 3gaa s LEU 30 N 1.42 4.32 -0.00 3.92 1.43 0.28 -0.35 118.68 129.71 3gaa s LEU 30 Ca 0.04 0.41 0.08 0.00 -1.03 0.00 0.00 54.13 53.63 3gaa s LEU 30 Cb -0.15 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 3gaa s LEU 30 CO -0.05 0.31 -0.25 0.00 0.23 0.00 0.00 176.35 176.60 3gaa s GLY 32 N -0.76 0.07 0.29 0.00 0.00 0.06 -0.09 107.32 106.89 3gaa s GLY 32 Ca 0.10 0.48 0.10 0.00 0.00 0.00 0.00 44.72 45.39 3gaa s GLY 32 CO -0.00 1.28 -0.13 -1.36 0.00 0.00 0.00 173.10 172.88 3gaa s PHE 33 N 1.77 2.20 -0.53 1.90 0.08 -1.26 -1.38 117.98 120.75 3gaa s PHE 33 Ca -0.02 -0.48 -0.24 0.00 0.12 0.00 0.00 56.93 56.31 3gaa s PHE 33 Cb -0.12 -1.12 0.04 0.00 -0.57 0.00 0.00 43.02 41.25 3gaa s PHE 33 CO -0.05 0.55 0.92 0.00 -0.10 0.00 0.00 175.22 176.55 3gaa s ALA 34 N -2.69 3.18 0.00 5.36 0.00 -1.04 -3.98 121.76 122.59 3gaa s ALA 34 Ca 0.30 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3gaa s ALA 34 Cb -0.00 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3gaa s ALA 34 CO 0.14 -2.31 0.00 0.41 0.00 0.00 0.00 175.76 174.00 3gaa n GLY 35 N 5.09 4.10 0.00 0.00 0.00 -1.26 -4.06 105.19 109.07 3gaa n GLY 35 Ca 0.02 -0.74 0.14 0.00 0.00 0.00 0.00 46.02 45.45 3gaa n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gaa n SER 36 N 0.00 0.00 -3.78 1.61 3.41 -1.26 -4.75 113.62 108.85 3gaa n SER 36 Ca 0.00 -0.06 -0.13 0.00 -0.26 0.00 0.00 58.87 58.42 3gaa n SER 36 Cb 0.00 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 63.54 3gaa n SER 36 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gaa s THR 37 N -2.62 0.03 -2.03 6.66 -4.23 -1.26 -4.87 115.64 107.33 3gaa s THR 37 Ca 0.26 -0.25 0.31 0.00 -1.18 0.00 0.00 61.69 60.83 3gaa s THR 37 Cb 0.19 -0.50 0.80 0.00 1.34 0.00 0.00 72.50 74.34 3gaa s THR 37 CO 0.45 -0.14 2.12 -0.81 -0.54 0.00 0.00 174.62 175.70 3gaa n PRO 38 N 2.14 1.05 -0.16 3.99 -0.04 -1.26 -4.40 135.00 136.33 3gaa n PRO 38 Ca -0.17 -0.17 -0.01 0.00 -0.04 0.00 0.00 63.50 63.11 3gaa n PRO 38 Cb 0.57 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.76 3gaa n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gaa h THR 39 N 0.42 1.20 -0.22 0.52 1.03 -1.91 -1.61 112.91 112.34 3gaa h THR 39 Ca 0.00 -0.59 0.05 0.00 -0.01 0.00 0.00 66.41 65.86 3gaa h THR 39 Cb 0.12 0.43 -0.05 0.00 -1.07 0.00 0.00 68.15 67.58 3gaa h THR 39 CO 0.00 0.24 -0.10 1.23 -0.01 0.00 0.00 175.52 176.88 3gaa h GLY 40 N 0.96 0.09 1.81 2.99 0.00 -1.77 0.36 103.07 107.52 3gaa h GLY 40 Ca 0.21 0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.55 3gaa h GLY 40 CO -0.03 -0.12 -0.50 -0.39 0.00 0.00 0.00 176.54 175.50 3gaa h VAL 41 N -0.07 1.35 -0.36 4.60 -1.51 -1.55 -1.77 116.25 116.94 3gaa h VAL 41 Ca 0.12 -1.75 -0.08 0.00 -1.23 0.00 0.00 66.70 63.76 3gaa h VAL 41 Cb 0.24 1.85 -0.01 0.00 -2.13 0.00 0.00 31.29 31.24 3gaa h VAL 41 CO -0.26 0.52 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.43 3gaa h LEU 42 N 0.17 0.70 0.01 4.19 3.38 -1.01 0.46 115.31 123.21 3gaa h LEU 42 Ca 0.01 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 3gaa h LEU 42 Cb 0.95 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3gaa h LEU 42 CO 0.08 0.91 -0.01 0.00 0.09 0.00 0.00 178.44 179.51 3gaa h ALA 43 N 0.82 -0.02 -0.58 1.53 0.00 -0.25 0.61 119.26 121.37 3gaa h ALA 43 Ca 0.09 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3gaa h ALA 43 Cb 0.60 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3gaa h ALA 43 CO 0.04 -0.48 0.36 0.00 0.00 0.00 0.00 179.25 179.16 3gaa h ALA 44 N 0.92 0.75 -0.41 0.00 0.00 -1.24 0.19 119.26 119.47 3gaa h ALA 44 Ca -0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3gaa h ALA 44 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3gaa h ALA 44 CO 0.00 0.11 -0.28 0.77 0.00 0.00 0.00 179.25 179.85 3gaa h SER 45 N 0.72 0.92 0.19 0.00 0.02 -0.69 0.41 113.55 115.13 3gaa h SER 45 Ca 0.23 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 3gaa h SER 45 Cb -0.01 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.28 3gaa h SER 45 CO -0.09 1.13 -0.09 0.22 -1.14 0.00 0.00 176.83 176.87 3gaa h TYR 46 N 0.75 -0.24 -0.74 3.45 5.03 0.11 -0.61 116.97 124.72 3gaa h TYR 46 Ca 0.09 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.35 3gaa h TYR 46 Cb 0.84 0.08 -0.03 0.00 1.55 0.00 0.00 36.73 39.17 3gaa h TYR 46 CO 0.05 -0.14 0.30 0.97 -1.32 0.00 0.00 178.16 178.02 3gaa h ILE 47 N -0.27 1.25 -0.58 1.81 6.09 -0.43 0.10 117.51 125.48 3gaa h ILE 47 Ca -0.03 -0.77 0.00 0.00 -1.37 0.00 0.00 64.86 62.70 3gaa h ILE 47 Cb 0.21 0.35 -0.03 0.00 0.47 0.00 0.00 36.82 37.82 3gaa h ILE 47 CO 0.04 0.31 0.36 0.58 -3.07 0.00 0.00 178.15 176.38 3gaa h VAL 48 N 1.07 1.16 0.12 2.19 2.07 -0.79 -2.19 116.25 119.89 3gaa h VAL 48 Ca 0.25 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3gaa h VAL 48 Cb 0.19 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3gaa h VAL 48 CO -0.02 0.16 -0.06 -0.08 0.02 0.00 0.00 177.57 177.59 3gaa h GLU 49 N 0.79 -0.16 -0.08 1.57 4.22 0.66 -2.12 114.58 119.47 3gaa h GLU 49 Ca 0.21 0.01 -0.20 0.00 0.08 0.00 0.00 59.36 59.46 3gaa h GLU 49 Cb -0.05 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3gaa h GLU 49 CO -0.04 0.32 -0.78 1.79 -2.18 0.00 0.00 179.01 178.13 3gaa h THR 50 N -0.82 1.36 0.00 0.32 1.35 -0.91 -1.93 112.91 112.28 3gaa h THR 50 Ca -0.02 -2.16 0.00 0.00 -0.55 0.00 0.00 66.41 63.69 3gaa h THR 50 Cb 0.55 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3gaa h THR 50 CO 0.03 0.65 0.00 0.18 -0.25 0.00 0.00 175.52 176.13 3gaa n LEU 51 N -3.84 0.00 -1.54 3.87 4.77 -0.82 -4.92 117.00 114.52 3gaa n LEU 51 Ca -0.05 0.21 -0.14 0.00 -0.03 0.00 0.00 56.01 56.00 3gaa n LEU 51 Cb 0.74 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 3gaa n LEU 51 CO 0.50 -0.03 -0.17 0.61 -1.33 0.00 0.00 177.39 176.96 3gaa n GLY 52 N 0.87 0.07 3.63 -0.72 0.00 -0.73 -4.88 105.19 103.43 3gaa n GLY 52 Ca 0.14 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 3gaa n GLY 52 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gaa n MET 53 N -2.41 0.40 -4.22 1.61 2.81 -0.81 -4.88 117.12 109.62 3gaa n MET 53 Ca -0.16 0.20 -0.26 0.00 -1.81 0.00 0.00 57.70 55.66 3gaa n MET 53 Cb 0.60 -2.27 -0.08 0.00 -0.71 0.00 0.00 33.22 30.77 3gaa n MET 53 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 3gaa s HIS 54 N -1.92 2.83 0.50 2.03 -3.43 0.17 -4.89 115.29 110.57 3gaa s HIS 54 Ca 0.73 -0.15 -0.19 0.00 -0.80 0.00 0.00 55.06 54.64 3gaa s HIS 54 Cb -0.32 -1.35 -0.08 0.00 -1.43 0.00 0.00 32.58 29.39 3gaa s HIS 54 CO 0.51 0.53 1.03 -1.14 -2.00 0.00 0.00 174.74 173.67 3gaa s GLN 55 N -3.07 3.79 0.00 -0.38 0.74 -1.26 -0.59 119.66 118.89 3gaa s GLN 55 Ca 0.28 1.27 0.00 0.00 0.05 0.00 0.00 55.36 56.97 3gaa s GLN 55 Cb -0.09 -2.10 0.00 0.00 1.10 0.00 0.00 33.01 31.92 3gaa s GLN 55 CO 0.19 -0.43 0.00 1.55 -0.55 0.00 0.00 175.29 176.05 3gaa n VAL 56 N -1.14 0.00 -3.65 1.34 3.14 0.13 -4.78 118.33 113.38 3gaa n VAL 56 Ca 0.09 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.37 3gaa n VAL 56 Cb 0.53 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.28 3gaa n VAL 56 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3gaa s ALA 57 N -0.95 -1.15 0.39 1.55 0.00 -0.79 -4.97 121.76 115.85 3gaa s ALA 57 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.03 3gaa s ALA 57 Cb 0.00 0.84 -0.06 0.00 0.00 0.00 0.00 23.12 23.90 3gaa s ALA 57 CO 0.00 -0.80 0.11 -1.01 0.00 0.00 0.00 175.76 174.07 3gaa s HIS 58 N -3.83 2.59 -0.17 0.00 0.09 -1.26 -0.83 115.29 111.86 3gaa s HIS 58 Ca 0.06 -0.56 0.01 0.00 -0.00 0.00 0.00 55.06 54.57 3gaa s HIS 58 Cb -0.01 -1.81 0.03 0.00 -0.00 0.00 0.00 32.58 30.79 3gaa s HIS 58 CO -0.06 0.30 -0.12 -1.17 -0.00 0.00 0.00 174.74 173.69 3gaa s LEU 59 N -3.83 1.98 -0.19 0.89 0.20 -1.14 -4.88 118.68 111.72 3gaa s LEU 59 Ca 0.38 -0.69 -0.08 0.00 0.69 0.00 0.00 54.13 54.43 3gaa s LEU 59 Cb 0.04 -1.21 -0.04 0.00 -0.43 0.00 0.00 46.19 44.55 3gaa s LEU 59 CO 0.21 -0.10 0.08 -0.63 -0.29 0.00 0.00 176.35 175.62 3gaa s ILE 60 N 1.44 4.96 -0.25 6.68 1.09 -1.26 -4.78 121.20 129.08 3gaa s ILE 60 Ca 0.02 0.03 -0.27 0.00 -1.10 0.00 0.00 60.65 59.33 3gaa s ILE 60 Cb -0.14 -3.25 0.14 0.00 -1.06 0.00 0.00 42.46 38.15 3gaa s ILE 60 CO -0.09 0.45 1.12 -0.55 -0.10 0.00 0.00 174.94 175.77 3gaa s SER 61 N 0.37 -0.32 0.36 3.58 0.15 -1.26 -4.99 113.70 111.59 3gaa s SER 61 Ca 0.04 0.54 0.26 0.00 0.70 0.00 0.00 55.95 57.49 3gaa s SER 61 Cb -0.12 0.52 1.28 0.00 -1.71 0.00 0.00 66.02 65.99 3gaa s SER 61 CO -0.00 -0.17 1.79 -0.61 1.20 0.00 0.00 173.24 175.45 3gaa h GLN 62 N 3.40 0.00 -0.44 5.44 4.15 -2.00 -2.66 115.11 123.00 3gaa h GLN 62 Ca -0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.18 3gaa h GLN 62 Cb 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 3gaa h GLN 62 CO 0.18 0.00 0.00 0.72 -1.93 0.00 0.00 178.83 177.80 3gaa n HIS 63 N -2.42 0.58 -3.08 3.99 8.25 -1.26 -4.75 115.22 116.53 3gaa n HIS 63 Ca -0.00 -0.36 -0.39 0.00 -0.26 0.00 0.00 57.72 56.70 3gaa n HIS 63 Cb 0.12 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 3gaa n HIS 63 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gaa s ILE 64 N -1.17 4.90 0.10 1.59 1.01 -1.00 -4.72 121.20 121.91 3gaa s ILE 64 Ca 0.35 1.44 -0.36 0.00 0.00 0.00 0.00 60.65 62.08 3gaa s ILE 64 Cb 0.20 -4.03 -0.16 0.00 0.01 0.00 0.00 42.46 38.47 3gaa s ILE 64 CO 0.26 0.34 1.31 -2.65 0.00 0.00 0.00 174.94 174.21 3gaa n PRO 65 N 3.13 1.17 -1.62 2.79 -0.02 -1.26 -4.79 135.00 134.40 3gaa n PRO 65 Ca -0.03 0.42 -0.35 0.00 -2.02 0.00 0.00 63.50 61.52 3gaa n PRO 65 Cb 0.51 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 3gaa n PRO 65 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3gaa n PRO 66 N 2.41 3.76 -5.06 0.52 -0.04 -1.26 -4.90 135.00 130.43 3gaa n PRO 66 Ca 0.18 -2.69 -0.32 0.00 -0.04 0.00 0.00 63.50 60.62 3gaa n PRO 66 Cb 0.20 -2.54 -0.15 0.00 -0.04 0.00 0.00 33.50 30.97 3gaa n PRO 66 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gaa s VAL 67 N -0.17 2.61 0.08 0.52 1.01 -1.26 -5.12 120.40 118.08 3gaa s VAL 67 Ca 0.61 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 3gaa s VAL 67 Cb 0.23 -1.99 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 3gaa s VAL 67 CO -0.10 0.58 0.52 0.00 0.00 0.00 0.00 175.10 176.10 3gaa s ALA 68 N -0.44 3.62 -0.11 5.51 0.00 -1.26 -4.42 121.76 124.65 3gaa s ALA 68 Ca 0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 51.96 51.83 3gaa s ALA 68 Cb -0.12 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 3gaa s ALA 68 CO 0.02 0.45 0.16 0.54 0.00 0.00 0.00 175.76 176.92 3gaa s VAL 69 N -1.25 5.48 -0.01 0.00 0.11 0.11 -4.96 120.40 119.87 3gaa s VAL 69 Ca 0.31 0.25 0.02 0.00 -2.93 0.00 0.00 61.98 59.63 3gaa s VAL 69 Cb -0.17 -3.42 0.03 0.00 -1.53 0.00 0.00 36.38 31.29 3gaa s VAL 69 CO 0.18 0.62 0.78 0.33 -3.33 0.00 0.00 175.10 173.67 3gaa n PHE 70 N 1.98 0.00 -1.70 1.54 7.35 -1.26 -0.91 117.46 124.45 3gaa n PHE 70 Ca -0.20 -0.23 -0.37 0.00 -0.76 0.00 0.00 57.45 55.89 3gaa n PHE 70 Cb 0.55 -0.04 0.06 0.00 0.35 0.00 0.00 39.48 40.41 3gaa n PHE 70 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 3gaa n VAL 71 N -0.27 4.60 -1.26 -2.13 3.14 -1.26 -1.07 118.33 120.07 3gaa n VAL 71 Ca 0.02 -0.50 -0.11 0.00 -2.96 0.00 0.00 64.34 60.78 3gaa n VAL 71 Cb 0.48 -1.42 -0.05 0.00 -1.06 0.00 0.00 33.84 31.79 3gaa n VAL 71 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gaa n GLY 72 N 1.00 1.07 3.36 7.55 0.00 -1.26 -2.84 105.19 114.07 3gaa n GLY 72 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3gaa n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaa n GLY 73 N 0.09 0.22 3.69 -0.02 0.00 -0.23 -4.99 105.19 103.95 3gaa n GLY 73 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 3gaa n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gaa s LYS 74 N -1.00 4.19 -0.24 1.61 -2.85 -1.13 -5.07 119.74 115.26 3gaa s LYS 74 Ca 0.00 0.10 -0.13 0.00 -1.00 0.00 0.00 55.97 54.94 3gaa s LYS 74 Cb 0.00 -3.50 -0.04 0.00 -2.06 0.00 0.00 37.83 32.22 3gaa s LYS 74 CO 0.00 0.06 0.29 -1.17 0.10 0.00 0.00 175.35 174.64 3gaa s LEU 75 N 1.01 4.10 0.20 2.77 2.96 -1.26 -4.17 118.68 124.29 3gaa s LEU 75 Ca 0.17 0.28 -0.12 0.00 -0.22 0.00 0.00 54.13 54.24 3gaa s LEU 75 Cb -0.14 -2.32 0.00 0.00 0.50 0.00 0.00 46.19 44.23 3gaa s LEU 75 CO 0.06 -0.05 0.40 0.00 -1.32 0.00 0.00 176.35 175.45 3gaa s ARG 76 N 1.42 1.34 0.43 1.98 1.04 -0.09 -5.00 118.95 120.07 3gaa s ARG 76 Ca 0.13 -1.13 -0.23 0.00 -1.04 0.00 0.00 55.73 53.46 3gaa s ARG 76 Cb -0.15 0.44 -0.09 0.00 -2.04 0.00 0.00 34.95 33.12 3gaa s ARG 76 CO 0.07 -0.53 1.04 -1.58 -0.04 0.00 0.00 175.30 174.26 3gaa s HIS 77 N -3.96 3.18 -0.13 5.89 5.65 -1.26 0.07 115.29 124.73 3gaa s HIS 77 Ca 0.17 1.62 0.28 0.00 0.25 0.00 0.00 55.06 57.38 3gaa s HIS 77 Cb 0.01 -3.09 0.86 0.00 -1.18 0.00 0.00 32.58 29.18 3gaa s HIS 77 CO 0.03 -0.66 1.80 -1.00 -0.65 0.00 0.00 174.74 174.26 3gaa h PRO 78 N 2.17 0.00 -4.83 2.88 0.13 -1.94 -3.42 132.00 126.98 3gaa h PRO 78 Ca -0.49 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.98 3gaa h PRO 78 Cb 1.21 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.97 3gaa h PRO 78 CO 0.61 0.04 -0.78 0.12 -0.23 0.00 0.00 178.00 177.76 3gaa s PHE 79 N -3.45 3.37 0.06 1.56 2.19 -1.26 -1.36 117.98 119.09 3gaa s PHE 79 Ca 0.04 -2.47 0.07 0.00 0.33 0.00 0.00 56.93 54.90 3gaa s PHE 79 Cb 0.07 -2.14 -0.03 0.00 -1.31 0.00 0.00 43.02 39.62 3gaa s PHE 79 CO 0.61 -0.89 -0.20 1.03 1.83 0.00 0.00 175.22 177.60 3gaa s ARG 80 N 1.06 1.23 -0.09 10.12 0.52 -0.83 -2.87 118.95 128.09 3gaa s ARG 80 Ca -0.05 -0.99 0.03 0.00 -0.52 0.00 0.00 55.73 54.20 3gaa s ARG 80 Cb -0.20 -1.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.88 3gaa s ARG 80 CO -0.06 0.34 -0.18 0.42 0.02 0.00 0.00 175.30 175.85 3gaa s ILE 81 N -0.94 2.68 0.21 1.52 -1.09 -0.01 -1.94 121.20 121.64 3gaa s ILE 81 Ca 0.06 -0.82 0.11 0.00 -2.23 0.00 0.00 60.65 57.77 3gaa s ILE 81 Cb -0.09 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.68 3gaa s ILE 81 CO 0.03 0.56 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.78 3gaa s TYR 82 N -0.03 2.37 0.09 3.97 2.02 -0.15 0.22 117.35 125.83 3gaa s TYR 82 Ca -0.05 -0.33 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 3gaa s TYR 82 Cb -0.14 -1.13 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 3gaa s TYR 82 CO 0.04 0.56 -0.12 0.00 -1.57 0.00 0.00 175.55 174.47 3gaa s ALA 83 N -1.90 1.13 0.91 3.71 0.00 0.24 -1.50 121.76 124.35 3gaa s ALA 83 Ca 0.24 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 50.98 3gaa s ALA 83 Cb -0.07 -0.02 0.14 0.00 0.00 0.00 0.00 23.12 23.16 3gaa s ALA 83 CO 0.12 0.05 1.13 0.54 0.00 0.00 0.00 175.76 177.60 3gaa s ASN 84 N -2.14 3.48 0.48 0.00 6.03 -0.77 -0.66 114.94 121.36 3gaa s ASN 84 Ca 0.02 1.00 0.23 0.00 -1.03 0.00 0.00 52.86 53.08 3gaa s ASN 84 Cb -0.06 -1.59 1.21 0.00 -3.03 0.00 0.00 41.25 37.77 3gaa s ASN 84 CO 0.01 -2.57 1.99 0.78 -2.03 0.00 0.00 177.10 175.28 3gaa h ASN 85 N -1.51 0.00 -0.09 3.54 -0.26 -1.90 -1.83 115.58 113.53 3gaa h ASN 85 Ca -0.51 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.23 3gaa h ASN 85 Cb 1.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.59 3gaa h ASN 85 CO 0.61 0.18 0.00 -1.20 -1.06 0.00 0.00 177.43 175.97 3gaa n SER 86 N -3.75 0.64 -3.44 5.81 7.64 -1.26 -4.90 113.62 114.35 3gaa n SER 86 Ca -0.02 -1.71 -0.16 0.00 1.01 0.00 0.00 58.87 57.99 3gaa n SER 86 Cb 0.29 -0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.39 3gaa n SER 86 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gaa n ASN 87 N -0.28 0.38 -0.00 6.43 3.02 -0.69 -4.39 115.26 119.74 3gaa n ASN 87 Ca 0.11 -0.65 0.03 0.00 -0.03 0.00 0.00 54.58 54.03 3gaa n ASN 87 Cb 0.14 -0.81 -0.04 0.00 -0.61 0.00 0.00 39.78 38.46 3gaa n ASN 87 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3gaa n THR 88 N -2.83 0.00 -4.31 3.41 -2.24 -1.26 -1.30 114.28 105.75 3gaa n THR 88 Ca -0.16 -0.26 -0.24 0.00 -2.27 0.00 0.00 64.05 61.11 3gaa n THR 88 Cb 0.35 0.72 -0.17 0.00 -2.10 0.00 0.00 70.33 69.14 3gaa n THR 88 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gaa s VAL 89 N -1.93 0.96 0.13 2.28 1.01 -1.26 -0.52 120.40 121.07 3gaa s VAL 89 Ca 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.70 3gaa s VAL 89 Cb 0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3gaa s VAL 89 CO 0.24 0.33 0.00 -0.76 0.00 0.00 0.00 175.10 174.91 3gaa s LEU 90 N 1.01 3.41 -0.20 3.92 1.43 0.73 -1.84 118.68 127.14 3gaa s LEU 90 Ca -0.08 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3gaa s LEU 90 Cb -0.15 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 43.99 3gaa s LEU 90 CO -0.00 0.14 -0.17 -0.69 0.23 0.00 0.00 176.35 175.85 3gaa s VAL 91 N -1.48 2.20 -0.24 -1.59 1.01 -0.56 0.10 120.40 119.83 3gaa s VAL 91 Ca 0.26 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 3gaa s VAL 91 Cb -0.11 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3gaa s VAL 91 CO 0.18 0.44 0.27 0.00 0.00 0.00 0.00 175.10 175.99 3gaa s ALA 92 N 1.28 3.57 0.04 5.51 0.00 0.11 -0.98 121.76 131.29 3gaa s ALA 92 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3gaa s ALA 92 Cb -0.14 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 3gaa s ALA 92 CO -0.11 -0.38 -0.04 0.00 0.00 0.00 0.00 175.76 175.23 3gaa s MET 93 N 1.45 0.47 -0.08 0.00 0.23 -0.82 -0.76 119.30 119.79 3gaa s MET 93 Ca 0.12 -0.86 -0.03 0.00 -1.03 0.00 0.00 55.69 53.89 3gaa s MET 93 Cb -0.15 0.05 0.04 0.00 -1.53 0.00 0.00 34.83 33.24 3gaa s MET 93 CO 0.08 -0.05 0.17 0.00 -2.03 0.00 0.00 175.02 173.19 3gaa n GLU 95 N 4.56 0.01 -4.47 0.00 1.02 -0.46 -2.51 120.64 118.79 3gaa n GLU 95 Ca -0.20 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.65 3gaa n GLU 95 Cb 0.51 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 30.29 3gaa n GLU 95 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3gaa s VAL 96 N -3.01 2.23 0.39 2.62 -7.23 -1.26 -4.82 120.40 109.31 3gaa s VAL 96 Ca 0.11 -1.69 -0.25 0.00 -1.81 0.00 0.00 61.98 58.33 3gaa s VAL 96 Cb 0.17 -1.96 -0.12 0.00 0.56 0.00 0.00 36.38 35.03 3gaa s VAL 96 CO 0.71 0.13 1.00 -2.65 -0.31 0.00 0.00 175.10 173.98 3gaa n PRO 97 N 1.06 1.35 -3.77 4.82 -0.02 -1.26 -4.57 135.00 132.61 3gaa n PRO 97 Ca -0.18 0.48 -0.36 0.00 -2.02 0.00 0.00 63.50 61.42 3gaa n PRO 97 Cb 0.53 -1.98 -0.12 0.00 -0.02 0.00 0.00 33.50 31.91 3gaa n PRO 97 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gaa s ILE 98 N -1.23 4.60 0.48 4.25 1.01 -1.26 -4.70 121.20 124.36 3gaa s ILE 98 Ca 0.62 -0.08 -0.24 0.00 0.00 0.00 0.00 60.65 60.95 3gaa s ILE 98 Cb -0.59 -3.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.66 3gaa s ILE 98 CO 0.58 0.34 1.39 -0.55 0.00 0.00 0.00 174.94 176.71 3gaa s SER 99 N 1.41 5.70 0.55 3.58 0.15 -1.26 -4.87 113.70 118.96 3gaa s SER 99 Ca 0.06 2.85 0.36 0.00 0.70 0.00 0.00 55.95 59.92 3gaa s SER 99 Cb -0.15 -2.65 1.74 0.00 -1.71 0.00 0.00 66.02 63.26 3gaa s SER 99 CO 0.05 -1.29 2.09 0.77 1.20 0.00 0.00 173.24 176.06 3gaa h SER 100 N 2.05 0.00 0.47 5.45 4.64 -2.00 -1.10 113.55 123.06 3gaa h SER 100 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3gaa h SER 100 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3gaa h SER 100 CO 0.60 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.56 3gaa n ALA 101 N -2.03 1.45 -0.15 5.18 0.00 -1.26 -3.56 120.51 120.14 3gaa n ALA 101 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3gaa n ALA 101 Cb 0.18 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3gaa n ALA 101 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gaa n HIS 102 N -2.19 0.00 -0.33 0.00 -0.00 -0.42 -4.73 115.22 107.56 3gaa n HIS 102 Ca 0.01 -0.08 0.26 0.00 -0.00 0.00 0.00 57.72 57.91 3gaa n HIS 102 Cb 0.16 -0.01 0.49 0.00 -0.00 0.00 0.00 29.99 30.63 3gaa n HIS 102 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3gaa h ILE 103 N 0.20 0.08 -0.06 1.59 2.04 -1.59 0.39 117.51 120.16 3gaa h ILE 103 Ca 0.00 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3gaa h ILE 103 Cb 0.16 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 3gaa h ILE 103 CO 0.00 0.01 -0.13 0.22 0.00 0.00 0.00 178.15 178.26 3gaa h TYR 104 N 0.07 0.24 -0.34 1.37 5.03 -1.85 0.13 116.97 121.62 3gaa h TYR 104 Ca 0.76 -0.09 -0.03 0.00 2.58 0.00 0.00 58.73 61.94 3gaa h TYR 104 Cb 1.86 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 40.08 3gaa h TYR 104 CO -0.13 0.72 0.08 1.49 -1.32 0.00 0.00 178.16 179.00 3gaa h GLU 105 N -0.31 0.55 -0.49 1.82 4.81 -1.65 -1.35 114.58 117.96 3gaa h GLU 105 Ca 0.00 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 3gaa h GLU 105 Cb 0.71 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3gaa h GLU 105 CO 0.03 0.60 0.05 0.82 -0.73 0.00 0.00 179.01 179.78 3gaa h ILE 106 N 0.40 1.25 -0.37 2.32 1.08 -0.97 -0.50 117.51 120.71 3gaa h ILE 106 Ca 0.11 -0.97 -0.08 0.00 -0.39 0.00 0.00 64.86 63.52 3gaa h ILE 106 Cb 0.30 0.94 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 3gaa h ILE 106 CO 0.00 0.34 -0.12 0.28 -0.69 0.00 0.00 178.15 177.97 3gaa h SER 107 N 0.69 0.64 -0.24 1.72 0.02 -0.93 -0.27 113.55 115.18 3gaa h SER 107 Ca 0.14 -0.18 -0.19 0.00 -0.84 0.00 0.00 61.79 60.73 3gaa h SER 107 Cb 0.43 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3gaa h SER 107 CO 0.01 0.79 -0.57 -1.13 -1.14 0.00 0.00 176.83 174.79 3gaa h ASN 108 N 0.60 0.94 -0.38 3.07 -1.24 -0.89 -1.20 115.58 116.48 3gaa h ASN 108 Ca 0.11 -0.51 -0.05 0.00 0.71 0.00 0.00 56.30 56.55 3gaa h ASN 108 Cb 0.55 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 3gaa h ASN 108 CO 0.03 1.31 0.04 0.74 -1.29 0.00 0.00 177.43 178.26 3gaa h THR 109 N 0.63 1.25 -0.32 -3.57 2.02 -0.73 -1.80 112.91 110.39 3gaa h THR 109 Ca 0.01 -0.91 0.04 0.00 0.77 0.00 0.00 66.41 66.32 3gaa h THR 109 Cb 1.18 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 68.66 3gaa h THR 109 CO 0.12 0.31 0.10 0.25 0.37 0.00 0.00 175.52 176.67 3gaa h LEU 110 N 0.47 0.09 -0.15 2.58 5.85 -0.99 -3.04 115.31 120.12 3gaa h LEU 110 Ca 0.11 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3gaa h LEU 110 Cb 0.40 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3gaa h LEU 110 CO 0.01 0.09 0.00 0.24 -0.34 0.00 0.00 178.44 178.44 3gaa h MET 111 N 0.23 0.00 -0.11 1.25 2.86 -1.04 -0.13 114.93 117.99 3gaa h MET 111 Ca 0.14 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.63 3gaa h MET 111 Cb 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3gaa h MET 111 CO -0.16 0.00 -0.59 -0.91 1.06 0.00 0.00 176.91 176.31 3gaa h ASN 112 N 0.00 0.42 -0.03 1.22 -0.26 -1.22 -1.17 115.58 114.55 3gaa h ASN 112 Ca 0.00 -0.24 -0.06 0.00 -0.56 0.00 0.00 56.30 55.44 3gaa h ASN 112 Cb 0.68 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 3gaa h ASN 112 CO 0.00 0.91 -0.23 -0.25 -1.06 0.00 0.00 177.43 176.81 3gaa h TRP 113 N 0.28 0.28 -0.69 1.19 7.01 -1.03 -2.50 115.95 120.49 3gaa h TRP 113 Ca -0.00 -0.13 0.01 0.00 2.11 0.00 0.00 58.89 60.88 3gaa h TRP 113 Cb 1.11 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 28.10 3gaa h TRP 113 CO 0.03 0.88 0.45 0.82 -2.79 0.00 0.00 178.44 177.84 3gaa h ILE 114 N -0.40 1.16 0.03 2.65 2.04 -1.23 -1.17 117.51 120.58 3gaa h ILE 114 Ca -0.02 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.55 3gaa h ILE 114 Cb 0.92 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3gaa h ILE 114 CO 0.05 0.17 -0.24 -0.78 0.00 0.00 0.00 178.15 177.34 3gaa h ASP 115 N 0.92 -0.70 0.10 1.72 1.82 -1.24 -2.65 116.42 116.40 3gaa h ASP 115 Ca 0.26 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.99 3gaa h ASP 115 Cb -0.08 0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 3gaa h ASP 115 CO -0.06 -0.31 -0.16 1.56 -1.61 0.00 0.00 179.24 178.65 3gaa h GLN 116 N -0.39 -0.27 -0.59 0.28 7.50 -0.93 -1.47 115.11 119.24 3gaa h GLN 116 Ca 0.05 0.02 0.17 0.00 0.50 0.00 0.00 58.65 59.39 3gaa h GLN 116 Cb 0.46 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 28.03 3gaa h GLN 116 CO -0.20 -0.18 0.88 0.28 -1.50 0.00 0.00 178.83 178.11 3gaa n VAL 117 N -3.32 0.00 -2.47 -0.54 0.31 -0.50 -2.93 118.33 108.88 3gaa n VAL 117 Ca -0.03 0.90 -0.00 0.00 -0.01 0.00 0.00 64.34 65.19 3gaa n VAL 117 Cb 0.14 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 3gaa n VAL 117 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gaa n GLY 118 N -1.42 0.90 3.75 2.92 0.00 -0.55 -4.17 105.19 106.62 3gaa n GLY 118 Ca 0.13 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 3gaa n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gaa s ALA 119 N -2.92 3.53 0.05 4.61 0.00 -1.20 -4.16 121.76 121.68 3gaa s ALA 119 Ca 0.01 1.20 -0.21 0.00 0.00 0.00 0.00 51.96 52.96 3gaa s ALA 119 Cb -0.00 -3.49 -0.13 0.00 0.00 0.00 0.00 23.12 19.50 3gaa s ALA 119 CO 0.01 -0.60 1.45 0.66 0.00 0.00 0.00 175.76 177.27 3gaa h SER 120 N 4.49 0.26 -4.22 0.00 4.64 -1.01 -3.47 113.55 114.24 3gaa h SER 120 Ca -0.47 -0.35 -0.18 0.00 -0.47 0.00 0.00 61.79 60.33 3gaa h SER 120 Cb 1.22 -0.07 -0.24 0.00 -0.31 0.00 0.00 62.40 62.99 3gaa h SER 120 CO 0.72 0.55 -0.55 -1.61 -0.87 0.00 0.00 176.83 175.07 3gaa s GLU 121 N -4.81 0.27 -0.25 4.77 2.02 -1.25 -3.99 118.70 115.46 3gaa s GLU 121 Ca -0.14 -0.05 -0.08 0.00 0.02 0.00 0.00 54.97 54.72 3gaa s GLU 121 Cb 0.05 0.12 -0.03 0.00 0.10 0.00 0.00 34.13 34.37 3gaa s GLU 121 CO 0.72 -0.05 0.09 0.42 0.02 0.00 0.00 175.26 176.46 3gaa s ILE 122 N -0.47 4.51 -0.25 -1.63 1.09 -0.00 -1.49 121.20 122.95 3gaa s ILE 122 Ca -0.06 -0.11 -0.04 0.00 -1.10 0.00 0.00 60.65 59.35 3gaa s ILE 122 Cb -0.04 -3.11 0.00 0.00 -1.06 0.00 0.00 42.46 38.26 3gaa s ILE 122 CO 0.01 0.33 -0.01 -0.69 -0.10 0.00 0.00 174.94 174.48 3gaa s VAL 123 N 1.54 3.47 -0.35 2.92 1.01 0.53 -0.42 120.40 129.09 3gaa s VAL 123 Ca 0.06 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 3gaa s VAL 123 Cb -0.15 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 3gaa s VAL 123 CO 0.05 0.28 0.33 -0.63 0.00 0.00 0.00 175.10 175.13 3gaa s ILE 124 N 1.46 5.20 -0.14 2.22 1.01 -0.27 -0.06 121.20 130.62 3gaa s ILE 124 Ca 0.04 -0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 3gaa s ILE 124 Cb -0.16 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 3gaa s ILE 124 CO -0.02 -0.12 0.26 -0.04 0.00 0.00 0.00 174.94 175.03 3gaa s MET 125 N 1.93 4.06 0.26 2.79 -1.94 0.87 -2.26 119.30 125.01 3gaa s MET 125 Ca 0.10 0.07 -0.19 0.00 -1.71 0.00 0.00 55.69 53.95 3gaa s MET 125 Cb -0.17 -3.36 0.02 0.00 2.01 0.00 0.00 34.83 33.33 3gaa s MET 125 CO 0.11 0.40 0.66 -1.83 -0.01 0.00 0.00 175.02 174.35 3gaa s GLU 126 N -0.02 1.70 0.07 2.03 -1.05 -0.43 -4.09 118.70 116.92 3gaa s GLU 126 Ca 0.16 -1.00 0.10 0.00 -0.15 0.00 0.00 54.97 54.08 3gaa s GLU 126 Cb -0.13 0.58 -0.03 0.00 -0.44 0.00 0.00 34.13 34.11 3gaa s GLU 126 CO 0.05 -0.76 -0.26 0.20 0.95 0.00 0.00 175.26 175.44 3gaa s GLY 127 N -2.93 1.42 -0.10 -3.83 0.00 -1.26 -1.98 107.32 98.64 3gaa s GLY 127 Ca 0.12 -1.31 -0.03 0.00 0.00 0.00 0.00 44.72 43.51 3gaa s GLY 127 CO 0.06 -1.23 0.03 -1.35 0.00 0.00 0.00 173.10 170.61 3gaa s SER 128 N -1.51 5.47 0.00 1.64 1.04 -0.01 -4.64 113.70 115.70 3gaa s SER 128 Ca 0.12 0.20 -0.37 0.00 0.48 0.00 0.00 55.95 56.38 3gaa s SER 128 Cb -0.10 -1.62 -0.16 0.00 0.10 0.00 0.00 66.02 64.25 3gaa s SER 128 CO 0.03 0.37 1.50 -2.65 0.98 0.00 0.00 173.24 173.47 3gaa n PRO 129 N 2.18 1.35 -4.66 4.02 -0.02 -1.26 -1.02 135.00 135.60 3gaa n PRO 129 Ca -0.19 0.49 -0.30 0.00 -2.02 0.00 0.00 63.50 61.49 3gaa n PRO 129 Cb 0.54 -2.17 -0.09 0.00 -0.02 0.00 0.00 33.50 31.76 3gaa n PRO 129 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gaa s ALA 130 N 1.45 3.57 -0.07 3.55 0.00 0.23 -4.75 121.76 125.75 3gaa s ALA 130 Ca 0.87 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.76 3gaa s ALA 130 Cb -0.93 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3gaa s ALA 130 CO 0.50 -0.13 -0.16 0.27 0.00 0.00 0.00 175.76 176.24 3gaa n ASN 131 N -1.19 1.24 0.00 0.00 6.94 -1.26 -3.95 115.26 117.04 3gaa n ASN 131 Ca -0.13 0.20 0.00 0.00 -0.02 0.00 0.00 54.58 54.63 3gaa n ASN 131 Cb 0.66 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 3gaa n ASN 131 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gaa n GLY 132 N 2.42 -0.21 0.76 4.83 0.00 -1.26 -5.01 105.19 106.72 3gaa n GLY 132 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 3gaa n GLY 132 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3gaa n ILE 133 N -1.44 0.00 -1.60 -0.61 0.13 -1.26 -4.99 119.36 109.58 3gaa n ILE 133 Ca 0.00 -0.38 -0.47 0.00 -1.10 0.00 0.00 62.75 60.80 3gaa n ILE 133 Cb 0.00 0.24 -0.03 0.00 -0.84 0.00 0.00 39.64 39.01 3gaa n ILE 133 CO 0.00 0.00 0.00 -0.81 2.80 0.00 0.00 176.55 178.54 3gaa n PRO 134 N -0.13 1.43 0.33 9.51 -0.04 -1.26 -4.79 135.00 140.05 3gaa n PRO 134 Ca -0.00 0.51 0.21 0.00 -0.04 0.00 0.00 63.50 64.18 3gaa n PRO 134 Cb 0.13 -2.02 1.15 0.00 -0.04 0.00 0.00 33.50 32.72 3gaa n PRO 134 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3gaa h GLU 135 N 3.33 0.00 -2.58 0.54 4.81 -2.05 -3.16 114.58 115.47 3gaa h GLU 135 Ca -0.43 0.00 -0.80 0.00 -0.13 0.00 0.00 59.36 58.00 3gaa h GLU 135 Cb 1.32 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.44 3gaa h GLU 135 CO 0.70 0.00 1.04 0.39 -0.73 0.00 0.00 179.01 180.41 3gaa n GLU 136 N -3.15 4.96 -2.21 1.92 4.71 -1.26 -5.04 120.64 120.57 3gaa n GLU 136 Ca -0.03 -4.52 -0.41 0.00 -0.01 0.00 0.00 57.16 52.19 3gaa n GLU 136 Cb 0.11 -2.51 -0.03 0.00 -1.01 0.00 0.00 31.44 28.00 3gaa n GLU 136 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 3gaa s ARG 137 N -3.38 3.14 0.37 3.49 3.52 -1.20 -4.99 118.95 119.91 3gaa s ARG 137 Ca 0.37 0.74 -0.24 0.00 -0.13 0.00 0.00 55.73 56.47 3gaa s ARG 137 Cb 0.13 -4.21 -0.10 0.00 -1.56 0.00 0.00 34.95 29.21 3gaa s ARG 137 CO -0.03 -2.12 0.94 -1.25 -0.81 0.00 0.00 175.30 172.04 3gaa s PRO 138 N 5.93 4.41 0.29 5.12 0.05 -1.26 -4.95 135.00 144.59 3gaa s PRO 138 Ca 0.63 1.22 -0.04 0.00 0.05 0.00 0.00 61.00 62.86 3gaa s PRO 138 Cb -0.14 -2.50 -0.05 0.00 0.05 0.00 0.00 34.50 31.86 3gaa s PRO 138 CO 0.26 0.13 0.54 0.08 0.05 0.00 0.00 177.00 178.06 3gaa s VAL 139 N -1.89 5.05 0.07 -0.36 1.01 -1.26 -4.10 120.40 118.92 3gaa s VAL 139 Ca 0.56 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.50 3gaa s VAL 139 Cb -0.14 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3gaa s VAL 139 CO 0.19 -0.35 -0.06 -0.36 0.00 0.00 0.00 175.10 174.51 3gaa s PHE 140 N -2.11 0.73 0.02 5.22 0.08 0.63 -3.45 117.98 119.11 3gaa s PHE 140 Ca 0.43 -0.77 0.08 0.00 0.12 0.00 0.00 56.93 56.78 3gaa s PHE 140 Cb -0.11 -0.44 -0.02 0.00 -0.57 0.00 0.00 43.02 41.88 3gaa s PHE 140 CO 0.31 -0.16 -0.22 0.00 -0.10 0.00 0.00 175.22 175.05 3gaa s ALA 141 N -2.78 1.89 -0.22 5.36 0.00 -0.18 -1.00 121.76 124.82 3gaa s ALA 141 Ca 0.02 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.93 3gaa s ALA 141 Cb -0.00 -0.41 0.04 0.00 0.00 0.00 0.00 23.12 22.74 3gaa s ALA 141 CO -0.03 0.44 -0.14 0.14 0.00 0.00 0.00 175.76 176.16 3gaa s VAL 142 N -0.70 2.23 0.29 0.00 -7.23 0.08 0.34 120.40 115.41 3gaa s VAL 142 Ca 0.09 -1.22 -0.13 0.00 -1.81 0.00 0.00 61.98 58.90 3gaa s VAL 142 Cb -0.09 -2.11 0.01 0.00 0.56 0.00 0.00 36.38 34.75 3gaa s VAL 142 CO 0.01 0.27 0.58 0.00 -0.31 0.00 0.00 175.10 175.65 3gaa s ALA 143 N 1.22 -0.38 0.92 1.32 0.00 -1.26 -0.70 121.76 122.87 3gaa s ALA 143 Ca -0.01 -0.84 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 3gaa s ALA 143 Cb -0.16 0.97 0.14 0.00 0.00 0.00 0.00 23.12 24.07 3gaa s ALA 143 CO -0.09 -0.91 1.16 -1.21 0.00 0.00 0.00 175.76 174.71 3gaa s GLU 144 N -3.54 1.10 0.08 0.00 2.02 -1.26 -4.76 118.70 112.33 3gaa s GLU 144 Ca 0.20 0.19 -0.23 0.00 0.02 0.00 0.00 54.97 55.15 3gaa s GLU 144 Cb -0.03 -1.84 -0.14 0.00 0.10 0.00 0.00 34.13 32.22 3gaa s GLU 144 CO 0.11 -2.21 1.68 -0.22 0.02 0.00 0.00 175.26 174.65 3gaa h LYS 145 N -1.50 0.06 -0.97 1.61 3.64 -2.02 -1.28 116.57 116.10 3gaa h LYS 145 Ca -0.49 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 58.98 3gaa h LYS 145 Cb 1.32 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 33.01 3gaa h LYS 145 CO 0.59 0.10 -0.56 -0.35 -2.27 0.00 0.00 179.45 176.96 3gaa n PRO 146 N -5.03 -0.42 -0.13 1.90 -0.04 -1.26 -1.11 135.00 128.92 3gaa n PRO 146 Ca -0.06 1.47 -0.09 0.00 -0.04 0.00 0.00 63.50 64.77 3gaa n PRO 146 Cb 0.06 -2.16 -0.01 0.00 -0.04 0.00 0.00 33.50 31.34 3gaa n PRO 146 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3gaa h LYS 147 N 0.00 0.58 -0.25 0.54 1.79 -1.85 -2.21 116.57 115.17 3gaa h LYS 147 Ca 0.17 -0.12 0.06 0.00 -2.18 0.00 0.00 60.65 58.58 3gaa h LYS 147 Cb 0.41 -0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 30.91 3gaa h LYS 147 CO -0.92 0.58 -0.19 -0.07 -1.08 0.00 0.00 179.45 177.78 3gaa h LEU 148 N 0.47 -0.60 -0.40 2.94 3.38 -0.93 0.18 115.31 120.33 3gaa h LEU 148 Ca 0.12 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.26 3gaa h LEU 148 Cb 0.24 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3gaa h LEU 148 CO -0.01 -0.23 0.17 0.44 0.09 0.00 0.00 178.44 178.91 3gaa h ASP 149 N -0.18 0.21 -0.35 -0.43 3.32 -0.86 0.10 116.42 118.23 3gaa h ASP 149 Ca 0.14 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.27 3gaa h ASP 149 Cb 0.39 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 3gaa h ASP 149 CO -0.36 0.16 0.11 0.11 -1.72 0.00 0.00 179.24 177.54 3gaa h LYS 150 N 0.35 0.24 -0.57 3.56 1.57 -0.88 -2.91 116.57 117.93 3gaa h LYS 150 Ca 0.18 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3gaa h LYS 150 Cb 0.13 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3gaa h LYS 150 CO -0.16 0.16 0.16 0.74 -0.57 0.00 0.00 179.45 179.78 3gaa h PHE 151 N 0.25 0.87 -0.45 -1.35 0.04 0.06 -1.91 116.94 114.45 3gaa h PHE 151 Ca 0.16 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.87 3gaa h PHE 151 Cb 0.14 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 3gaa h PHE 151 CO -0.15 0.72 0.30 -0.22 -0.60 0.00 0.00 178.31 178.36 3gaa h LYS 152 N 0.83 0.54 -0.17 1.51 3.64 -0.65 0.39 116.57 122.66 3gaa h LYS 152 Ca 0.19 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3gaa h LYS 152 Cb 0.26 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3gaa h LYS 152 CO -0.01 0.36 0.00 1.63 -2.27 0.00 0.00 179.45 179.16 3gaa n LYS 153 N -4.47 0.71 0.00 1.90 5.02 -0.72 -1.92 118.16 118.67 3gaa n LYS 153 Ca 0.04 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.34 3gaa n LYS 153 Cb 0.10 -1.09 0.01 0.00 -0.02 0.00 0.00 35.03 34.04 3gaa n LYS 153 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gaa n ALA 154 N -0.34 2.48 -0.55 7.82 0.00 0.14 -5.01 120.51 125.05 3gaa n ALA 154 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3gaa n ALA 154 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.42 3gaa n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gaa n GLY 155 N 0.17 0.76 3.67 0.00 0.00 -0.81 -5.04 105.19 103.94 3gaa n GLY 155 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3gaa n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gaa s ILE 156 N -2.80 4.98 0.33 -0.61 1.01 -1.14 -4.83 121.20 118.14 3gaa s ILE 156 Ca 0.00 1.34 0.07 0.00 0.00 0.00 0.00 60.65 62.07 3gaa s ILE 156 Cb 0.00 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 3gaa s ILE 156 CO 0.00 0.10 0.28 -1.10 0.00 0.00 0.00 174.94 174.22 3gaa s GLN 157 N 1.86 2.71 0.29 2.79 -0.21 -1.22 -2.83 119.66 123.06 3gaa s GLN 157 Ca 0.32 -1.30 -0.29 0.00 0.02 0.00 0.00 55.36 54.11 3gaa s GLN 157 Cb -0.16 -2.46 -0.10 0.00 1.00 0.00 0.00 33.01 31.28 3gaa s GLN 157 CO 0.12 0.11 1.42 -2.14 -2.12 0.00 0.00 175.29 172.67 3gaa s PRO 158 N -3.98 4.26 0.82 2.91 0.02 -1.26 -1.01 135.00 136.76 3gaa s PRO 158 Ca 0.40 2.33 -0.13 0.00 0.02 0.00 0.00 61.00 63.62 3gaa s PRO 158 Cb -0.06 -3.08 0.06 0.00 0.02 0.00 0.00 34.50 31.45 3gaa s PRO 158 CO 0.26 -0.38 1.00 0.00 -0.33 0.00 0.00 177.00 177.55 3gaa n ALA 159 N 1.67 -0.61 -3.72 -1.55 0.00 0.15 -4.71 120.51 111.73 3gaa n ALA 159 Ca 0.04 -0.36 -0.36 0.00 0.00 0.00 0.00 53.44 52.76 3gaa n ALA 159 Cb 0.40 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.63 3gaa n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gaa s ASP 160 N -2.04 5.35 -0.22 0.00 -1.08 -1.26 -4.96 116.67 112.45 3gaa s ASP 160 Ca 0.70 -3.16 -0.16 0.00 -0.52 0.00 0.00 52.55 49.41 3gaa s ASP 160 Cb -0.29 -1.84 0.06 0.00 -1.46 0.00 0.00 42.92 39.39 3gaa s ASP 160 CO 0.54 -0.29 0.57 -0.94 0.52 0.00 0.00 175.17 175.56 3gaa s SER 161 N 0.27 -0.67 0.10 -0.34 1.04 -1.26 -5.06 113.70 107.78 3gaa s SER 161 Ca 0.20 1.19 -0.18 0.00 0.48 0.00 0.00 55.95 57.64 3gaa s SER 161 Cb -0.16 1.13 -0.06 0.00 0.10 0.00 0.00 66.02 67.03 3gaa s SER 161 CO -0.06 -0.21 1.58 0.00 0.98 0.00 0.00 173.24 175.53 3gaa h ALA 162 N 6.14 0.36 -2.19 5.32 0.00 -2.06 -3.44 119.26 123.40 3gaa h ALA 162 Ca -0.31 -0.18 -0.50 0.00 0.00 0.00 0.00 54.91 53.93 3gaa h ALA 162 Cb 1.19 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 3gaa h ALA 162 CO 0.18 0.04 -0.73 0.96 0.00 0.00 0.00 179.25 179.70 3gaa s ILE 163 N -5.24 1.93 -0.14 0.00 -4.36 -1.26 -5.13 121.20 107.00 3gaa s ILE 163 Ca -0.14 -2.25 0.02 0.00 -0.26 0.00 0.00 60.65 58.02 3gaa s ILE 163 Cb 0.08 -2.18 0.01 0.00 1.25 0.00 0.00 42.46 41.63 3gaa s ILE 163 CO 0.74 -0.50 -0.20 -0.63 0.24 0.00 0.00 174.94 174.59 3gaa s ILE 164 N -2.85 1.95 0.00 8.37 -1.09 -1.26 -5.10 121.20 121.22 3gaa s ILE 164 Ca 0.26 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 3gaa s ILE 164 Cb -0.01 -1.75 0.00 0.00 -1.58 0.00 0.00 42.46 39.12 3gaa s ILE 164 CO 0.10 0.53 0.00 0.00 -1.23 0.00 0.00 174.94 174.34 3gaa n ALA 165 N 4.25 0.00 -0.89 9.38 0.00 -1.26 -3.99 120.51 128.00 3gaa n ALA 165 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3gaa n ALA 165 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3gaa n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gaa n GLY 166 N 5.00 -0.77 0.35 0.00 0.00 -1.26 -1.61 105.19 106.90 3gaa n GLY 166 Ca 0.00 -0.88 0.17 0.00 0.00 0.00 0.00 46.02 45.31 3gaa n GLY 166 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3gaa h MET 167 N 0.00 0.00 -0.39 1.61 1.85 -1.93 -2.43 114.93 113.64 3gaa h MET 167 Ca 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 58.99 3gaa h MET 167 Cb 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.01 3gaa h MET 167 CO 0.00 0.00 -0.17 0.78 -0.40 0.00 0.00 176.91 177.12 3gaa h GLY 168 N 0.00 0.78 1.88 1.39 0.00 -1.93 -1.68 103.07 103.51 3gaa h GLY 168 Ca 0.14 -0.62 -0.17 0.00 0.00 0.00 0.00 47.33 46.68 3gaa h GLY 168 CO -0.00 0.57 -0.78 -1.33 0.00 0.00 0.00 176.54 175.00 3gaa h GLY 169 N 0.98 0.13 0.72 4.60 0.00 -0.79 -1.48 103.07 107.22 3gaa h GLY 169 Ca 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 3gaa h GLY 169 CO 0.05 0.18 -0.11 -1.33 0.00 0.00 0.00 176.54 175.33 3gaa h GLY 170 N 1.97 0.33 0.99 4.60 0.00 -1.48 0.89 103.07 110.37 3gaa h GLY 170 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3gaa h GLY 170 CO 0.11 0.30 0.08 -2.22 0.00 0.00 0.00 176.54 174.80 3gaa h ILE 171 N -0.07 1.04 -0.52 2.60 2.04 -1.33 -2.33 117.51 118.93 3gaa h ILE 171 Ca 0.02 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.83 3gaa h ILE 171 Cb 0.62 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3gaa h ILE 171 CO 0.03 0.03 0.35 -0.07 0.00 0.00 0.00 178.15 178.49 3gaa h LEU 172 N 0.15 0.53 -0.38 1.44 4.07 -1.20 -0.81 115.31 119.11 3gaa h LEU 172 Ca 0.04 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 57.90 3gaa h LEU 172 Cb -0.01 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 3gaa h LEU 172 CO -0.01 0.37 -0.11 0.78 -1.08 0.00 0.00 178.44 178.39 3gaa h ASN 173 N 0.62 0.76 -0.85 -0.43 4.21 -0.44 -0.96 115.58 118.48 3gaa h ASN 173 Ca 0.21 -0.37 0.01 0.00 1.21 0.00 0.00 56.30 57.35 3gaa h ASN 173 Cb 0.06 -0.21 -0.04 0.00 -1.12 0.00 0.00 38.32 37.01 3gaa h ASN 173 CO -0.05 0.96 0.56 -0.33 -1.29 0.00 0.00 177.43 177.28 3gaa h GLU 174 N 0.55 1.12 -0.56 0.81 4.39 -0.86 -1.00 114.58 119.03 3gaa h GLU 174 Ca 0.09 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 3gaa h GLU 174 Cb 0.64 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 3gaa h GLU 174 CO 0.04 0.74 0.27 0.00 -1.16 0.00 0.00 179.01 178.91 3gaa h LEU 176 N 0.76 0.87 0.15 0.00 4.07 -0.53 -0.63 115.31 120.00 3gaa h LEU 176 Ca 0.19 0.02 -0.32 0.00 0.08 0.00 0.00 57.88 57.85 3gaa h LEU 176 Cb 0.12 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.70 3gaa h LEU 176 CO -0.02 0.52 -1.60 0.58 -1.08 0.00 0.00 178.44 176.84 3gaa h VAL 177 N 0.97 1.09 -0.00 1.22 2.07 -0.47 -3.26 116.25 117.87 3gaa h VAL 177 Ca 0.43 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 65.25 3gaa h VAL 177 Cb 0.35 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 3gaa h VAL 177 CO -0.18 0.83 -0.03 0.54 0.02 0.00 0.00 177.57 178.74 3gaa n ARG 178 N -3.51 0.56 -3.78 1.57 1.74 0.65 -4.92 116.66 108.97 3gaa n ARG 178 Ca -0.19 -0.07 -0.32 0.00 -0.77 0.00 0.00 57.85 56.50 3gaa n ARG 178 Cb 1.06 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 31.03 3gaa n ARG 178 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3gaa n LYS 179 N -1.16 -1.58 -4.16 5.56 5.02 -0.32 -5.03 118.16 116.50 3gaa n LYS 179 Ca 0.15 0.40 -0.31 0.00 -2.02 0.00 0.00 58.31 56.53 3gaa n LYS 179 Cb 0.24 -4.03 -0.08 0.00 -0.02 0.00 0.00 35.03 31.14 3gaa n LYS 179 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gaa s ILE 180 N -3.58 4.29 0.05 -0.18 1.01 -0.76 -5.06 121.20 116.97 3gaa s ILE 180 Ca 0.38 -0.72 -0.31 0.00 0.00 0.00 0.00 60.65 60.00 3gaa s ILE 180 Cb -0.14 -2.99 -0.07 0.00 0.01 0.00 0.00 42.46 39.26 3gaa s ILE 180 CO 0.88 0.24 1.47 -0.89 0.00 0.00 0.00 174.94 176.64 3gaa s THR 181 N -1.24 3.41 -0.04 2.92 2.01 -1.26 -4.47 115.64 116.98 3gaa s THR 181 Ca 0.24 0.88 0.01 0.00 0.31 0.00 0.00 61.69 63.13 3gaa s THR 181 Cb -0.12 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 68.85 3gaa s THR 181 CO 0.16 0.02 -0.03 -0.83 -0.69 0.00 0.00 174.62 173.25 3gaa s GLY 182 N 1.81 0.38 0.23 4.40 0.00 -1.26 -0.82 107.32 112.05 3gaa s GLY 182 Ca 0.67 0.02 -0.01 0.00 0.00 0.00 0.00 44.72 45.40 3gaa s GLY 182 CO 0.29 0.55 0.18 0.48 0.00 0.00 0.00 173.10 174.60 3gaa s LEU 183 N 1.03 1.18 -0.02 0.66 -0.00 0.44 -4.61 118.68 117.37 3gaa s LEU 183 Ca -0.09 -1.42 0.02 0.00 -0.00 0.00 0.00 54.13 52.63 3gaa s LEU 183 Cb -0.14 0.52 0.00 0.00 -0.00 0.00 0.00 46.19 46.58 3gaa s LEU 183 CO -0.01 -0.90 -0.05 -0.55 -0.00 0.00 0.00 176.35 174.83 3gaa s SER 184 N -3.18 0.76 -0.33 1.48 0.15 0.12 -1.12 113.70 111.58 3gaa s SER 184 Ca 0.38 -0.11 -0.09 0.00 0.70 0.00 0.00 55.95 56.83 3gaa s SER 184 Cb 0.06 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.19 3gaa s SER 184 CO 0.14 0.03 0.15 -0.36 1.20 0.00 0.00 173.24 174.40 3gaa s PHE 185 N 0.19 3.20 -0.03 3.44 0.08 -0.96 -0.74 117.98 123.16 3gaa s PHE 185 Ca -0.02 -0.86 0.01 0.00 0.12 0.00 0.00 56.93 56.19 3gaa s PHE 185 Cb -0.06 -2.35 -0.03 0.00 -0.57 0.00 0.00 43.02 40.00 3gaa s PHE 185 CO -0.00 -0.56 -0.04 0.42 -0.10 0.00 0.00 175.22 174.94 3gaa s ILE 186 N 1.55 3.91 -0.01 0.64 1.09 -0.17 -1.31 121.20 126.90 3gaa s ILE 186 Ca 0.03 -0.56 0.01 0.00 -1.10 0.00 0.00 60.65 59.03 3gaa s ILE 186 Cb -0.18 -2.67 -0.00 0.00 -1.06 0.00 0.00 42.46 38.55 3gaa s ILE 186 CO 0.05 0.48 -0.04 0.28 -0.10 0.00 0.00 174.94 175.61 3gaa s THR 187 N -0.95 0.37 0.31 2.92 -1.32 -0.84 -0.27 115.64 115.86 3gaa s THR 187 Ca 0.16 -0.18 -0.29 0.00 -1.21 0.00 0.00 61.69 60.17 3gaa s THR 187 Cb -0.11 -0.32 -0.10 0.00 -1.51 0.00 0.00 72.50 70.45 3gaa s THR 187 CO 0.06 0.11 1.40 -2.84 -2.21 0.00 0.00 174.62 171.14 3gaa s PRO 188 N -0.01 4.27 -0.04 7.08 0.02 -1.26 -0.83 135.00 144.24 3gaa s PRO 188 Ca 0.01 2.33 -0.02 0.00 0.02 0.00 0.00 61.00 63.33 3gaa s PRO 188 Cb -0.03 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.45 3gaa s PRO 188 CO -0.00 -0.35 0.10 -0.08 -0.33 0.00 0.00 177.00 176.34 3gaa s THR 189 N -0.73 -0.02 -0.31 0.99 -1.32 -0.19 -4.79 115.64 109.27 3gaa s THR 189 Ca 0.54 0.09 -0.29 0.00 -1.21 0.00 0.00 61.69 60.82 3gaa s THR 189 Cb -0.42 -0.16 -0.00 0.00 -1.51 0.00 0.00 72.50 70.41 3gaa s THR 189 CO 0.52 0.04 1.34 -0.55 -2.21 0.00 0.00 174.62 173.76 3gaa s SER 190 N 0.56 6.61 0.64 8.08 0.15 -1.26 -0.60 113.70 127.87 3gaa s SER 190 Ca -0.04 1.19 0.41 0.00 0.70 0.00 0.00 55.95 58.21 3gaa s SER 190 Cb -0.06 -2.54 2.18 0.00 -1.71 0.00 0.00 66.02 63.89 3gaa s SER 190 CO -0.02 -1.14 2.29 -0.37 1.20 0.00 0.00 173.24 175.20 3gaa h VAL 191 N 6.04 0.06 0.00 4.45 -1.51 -1.93 -3.33 116.25 120.03 3gaa h VAL 191 Ca -0.27 -0.11 -0.00 0.00 -1.23 0.00 0.00 66.70 65.09 3gaa h VAL 191 Cb 1.10 1.10 -0.00 0.00 -2.13 0.00 0.00 31.29 31.36 3gaa h VAL 191 CO 1.04 0.01 -1.01 0.47 -1.23 0.00 0.00 177.57 176.84 3gaa n ASP 192 N -3.16 4.95 -4.71 4.19 9.92 -1.26 -5.00 116.55 121.47 3gaa n ASP 192 Ca -0.02 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.93 3gaa n ASP 192 Cb 0.12 0.82 -0.08 0.00 -0.64 0.00 0.00 41.12 41.34 3gaa n ASP 192 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3gaa s ILE 193 N -2.01 4.20 0.44 0.53 -4.36 -1.25 -5.08 121.20 113.66 3gaa s ILE 193 Ca -0.00 -0.87 -0.23 0.00 -0.26 0.00 0.00 60.65 59.29 3gaa s ILE 193 Cb 0.00 -2.99 -0.10 0.00 1.25 0.00 0.00 42.46 40.62 3gaa s ILE 193 CO 0.01 0.16 0.86 -2.65 0.24 0.00 0.00 174.94 173.56 3gaa n PRO 194 N 0.65 1.05 -3.12 0.37 -0.02 -1.26 -4.76 135.00 127.91 3gaa n PRO 194 Ca -0.11 0.38 -0.20 0.00 -2.02 0.00 0.00 63.50 61.56 3gaa n PRO 194 Cb 0.52 -1.89 -0.04 0.00 -0.02 0.00 0.00 33.50 32.07 3gaa n PRO 194 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3gaa n ASP 195 N 0.60 -0.06 0.24 2.55 2.03 -1.26 -4.97 116.55 115.68 3gaa n ASP 195 Ca 0.11 -2.92 0.07 0.00 0.52 0.00 0.00 54.79 52.57 3gaa n ASP 195 Cb 0.40 -0.24 0.60 0.00 -0.72 0.00 0.00 41.12 41.16 3gaa n ASP 195 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gaa h PRO 196 N 3.61 0.04 -0.74 -0.67 0.11 -1.93 -1.43 132.00 130.99 3gaa h PRO 196 Ca 0.05 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.22 3gaa h PRO 196 Cb 0.94 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.99 3gaa h PRO 196 CO 0.44 0.06 0.49 0.78 -0.21 0.00 0.00 178.00 179.55 3gaa h GLY 197 N 0.13 0.99 0.60 -0.55 0.00 -1.96 0.03 103.07 102.30 3gaa h GLY 197 Ca 0.01 -0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.08 3gaa h GLY 197 CO 0.00 0.23 0.15 0.00 0.00 0.00 0.00 176.54 176.93 3gaa h ALA 198 N 1.60 0.52 -0.51 3.60 0.00 -1.56 -1.22 119.26 121.68 3gaa h ALA 198 Ca 0.32 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 3gaa h ALA 198 Cb 0.24 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3gaa h ALA 198 CO -0.11 -0.24 -0.08 0.28 0.00 0.00 0.00 179.25 179.11 3gaa h VAL 199 N 0.32 1.27 -0.64 0.00 2.07 -1.18 -2.37 116.25 115.72 3gaa h VAL 199 Ca 0.21 -1.20 0.09 0.00 0.82 0.00 0.00 66.70 66.61 3gaa h VAL 199 Cb 0.20 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 3gaa h VAL 199 CO -0.21 0.42 0.26 0.25 0.02 0.00 0.00 177.57 178.31 3gaa h LEU 200 N 0.81 0.29 0.23 2.57 5.85 -0.88 -0.07 115.31 124.11 3gaa h LEU 200 Ca 0.13 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3gaa h LEU 200 Cb 0.63 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3gaa h LEU 200 CO 0.04 0.17 -0.12 0.28 -0.34 0.00 0.00 178.44 178.47 3gaa h SER 201 N 0.46 -0.29 -0.73 1.25 0.02 -0.88 0.19 113.55 113.56 3gaa h SER 201 Ca 0.32 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.37 3gaa h SER 201 Cb 0.38 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.93 3gaa h SER 201 CO -0.30 -0.20 0.37 0.40 -1.14 0.00 0.00 176.83 175.97 3gaa h ILE 202 N -0.32 0.86 -0.25 3.27 5.03 -1.10 0.10 117.51 125.10 3gaa h ILE 202 Ca -0.03 -0.22 -0.17 0.00 -0.12 0.00 0.00 64.86 64.32 3gaa h ILE 202 Cb 0.26 0.17 -0.00 0.00 -3.03 0.00 0.00 36.82 34.22 3gaa h ILE 202 CO 0.04 0.12 -0.53 0.40 -0.68 0.00 0.00 178.15 177.50 3gaa h ILE 203 N 0.64 1.30 -0.14 -0.67 1.08 -0.68 -0.85 117.51 118.18 3gaa h ILE 203 Ca 0.35 -1.74 -0.00 0.00 -0.39 0.00 0.00 64.86 63.08 3gaa h ILE 203 Cb 0.36 1.66 -0.01 0.00 -3.07 0.00 0.00 36.82 35.77 3gaa h ILE 203 CO -0.26 0.55 0.07 -0.33 -0.69 0.00 0.00 178.15 177.50 3gaa h GLU 204 N 0.56 0.19 -0.98 2.37 5.08 -0.05 -0.37 114.58 121.39 3gaa h GLU 204 Ca 0.02 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 3gaa h GLU 204 Cb 1.10 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.22 3gaa h GLU 204 CO 0.11 0.22 0.60 0.00 -1.00 0.00 0.00 179.01 178.93 3gaa h ALA 205 N 0.97 1.52 -0.07 3.43 0.00 -0.61 0.23 119.26 124.73 3gaa h ALA 205 Ca 0.05 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 3gaa h ALA 205 Cb 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3gaa h ALA 205 CO -0.01 0.10 -0.76 0.82 0.00 0.00 0.00 179.25 179.41 3gaa h ILE 206 N 0.87 1.38 -0.32 0.00 2.04 -0.56 -1.05 117.51 119.87 3gaa h ILE 206 Ca 0.52 -2.18 -0.15 0.00 1.00 0.00 0.00 64.86 64.04 3gaa h ILE 206 Cb 0.63 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 3gaa h ILE 206 CO -0.31 0.66 -0.40 0.78 0.00 0.00 0.00 178.15 178.87 3gaa h ASN 207 N 0.27 0.84 0.02 1.72 2.35 -0.66 -0.62 115.58 119.50 3gaa h ASN 207 Ca -0.04 -0.39 -0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3gaa h ASN 207 Cb 1.34 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.48 3gaa h ASN 207 CO 0.13 1.14 -0.01 0.50 -1.65 0.00 0.00 177.43 177.54 3gaa h LYS 208 N 0.64 -0.02 0.00 0.81 1.63 -0.84 -0.26 116.57 118.53 3gaa h LYS 208 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3gaa h LYS 208 Cb 0.96 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 3gaa h LYS 208 CO 0.09 0.04 -0.84 0.00 -3.45 0.00 0.00 179.45 175.30 3gaa h ALA 209 N 0.90 0.52 0.00 5.00 0.00 -1.18 -3.37 119.26 121.13 3gaa h ALA 209 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gaa h ALA 209 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3gaa h ALA 209 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 3gaa n TYR 210 N -2.41 0.00 -3.32 0.00 4.01 -0.24 -5.00 117.16 110.20 3gaa n TYR 210 Ca 0.01 -0.05 -0.22 0.00 -0.16 0.00 0.00 57.90 57.49 3gaa n TYR 210 Cb 0.50 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.51 3gaa n TYR 210 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3gaa n ASN 211 N -0.05 -3.38 -3.76 7.72 4.05 -0.11 -4.94 115.26 114.79 3gaa n ASN 211 Ca 0.00 -0.34 -0.30 0.00 0.45 0.00 0.00 54.58 54.39 3gaa n ASN 211 Cb 0.14 -2.83 0.25 0.00 1.23 0.00 0.00 39.78 38.57 3gaa n ASN 211 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3gaa s LEU 212 N -6.36 0.31 -0.44 1.20 1.43 -1.26 -5.00 118.68 108.56 3gaa s LEU 212 Ca 0.37 0.71 0.04 0.00 -1.03 0.00 0.00 54.13 54.22 3gaa s LEU 212 Cb -0.20 -2.38 0.17 0.00 0.03 0.00 0.00 46.19 43.81 3gaa s LEU 212 CO 0.46 -4.40 0.35 -0.54 0.23 0.00 0.00 176.35 172.45 3gaa s LYS 213 N -5.30 1.06 -0.53 1.70 1.02 -1.26 -4.75 119.74 111.68 3gaa s LYS 213 Ca 0.70 -2.22 -0.17 0.00 0.02 0.00 0.00 55.97 54.30 3gaa s LYS 213 Cb -0.11 -1.64 0.09 0.00 -0.52 0.00 0.00 37.83 35.66 3gaa s LYS 213 CO 0.57 -1.37 0.57 0.42 -0.92 0.00 0.00 175.35 174.61 3gaa s ILE 214 N -0.07 5.02 0.24 2.17 1.01 -1.26 -4.99 121.20 123.32 3gaa s ILE 214 Ca 0.31 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 3gaa s ILE 214 Cb 0.02 -4.33 -0.15 0.00 0.01 0.00 0.00 42.46 38.01 3gaa s ILE 214 CO -0.19 -0.86 0.97 0.29 0.00 0.00 0.00 174.94 175.15 3gaa n LYS 215 N 5.78 1.07 -0.17 2.79 5.02 -1.26 -4.90 118.16 126.49 3gaa n LYS 215 Ca -0.11 0.38 0.02 0.00 -2.02 0.00 0.00 58.31 56.58 3gaa n LYS 215 Cb 0.43 -1.72 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 3gaa n LYS 215 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3gaa n THR 216 N 0.50 0.47 -1.97 -0.18 -2.24 -1.26 -4.89 114.28 104.71 3gaa n THR 216 Ca 0.12 -0.53 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 3gaa n THR 216 Cb 0.29 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 3gaa n THR 216 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3gaa s ASP 217 N -0.94 6.62 -1.28 3.42 -0.00 -1.26 -3.00 116.67 120.23 3gaa s ASP 217 Ca 0.05 2.61 -0.04 0.00 -0.00 0.00 0.00 52.55 55.17 3gaa s ASP 217 Cb 0.04 -2.60 0.03 0.00 -0.00 0.00 0.00 42.92 40.39 3gaa s ASP 217 CO 0.00 -0.78 0.28 -0.11 -0.00 0.00 0.00 175.17 174.56 3gaa n LEU 218 N 3.55 -1.62 -0.03 1.23 7.94 -1.26 -4.83 117.00 121.98 3gaa n LEU 218 Ca 0.12 -0.11 -0.17 0.00 -1.11 0.00 0.00 56.01 54.75 3gaa n LEU 218 Cb 0.39 -2.35 -0.07 0.00 0.53 0.00 0.00 43.42 41.92 3gaa n LEU 218 CO 0.61 0.03 0.33 0.25 -1.11 0.00 0.00 177.39 177.49 3gaa h LEU 219 N -0.58 0.82 -1.25 -1.96 6.46 -1.88 -1.42 115.31 115.49 3gaa h LEU 219 Ca -0.40 -0.62 -0.06 0.00 -0.12 0.00 0.00 57.88 56.68 3gaa h LEU 219 Cb 1.28 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.96 3gaa h LEU 219 CO 0.47 1.31 -0.30 -0.33 -0.62 0.00 0.00 178.44 178.97 3gaa h GLU 220 N 0.39 0.00 0.12 1.25 3.07 -1.88 0.24 114.58 117.76 3gaa h GLU 220 Ca -0.04 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 3gaa h GLU 220 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 3gaa h GLU 220 CO 0.13 0.30 -0.06 0.93 -1.40 0.00 0.00 179.01 178.91 3gaa h GLU 221 N 0.00 -0.15 -0.81 2.33 4.39 -1.94 -3.01 114.58 115.38 3gaa h GLU 221 Ca -0.00 0.01 0.20 0.00 0.34 0.00 0.00 59.36 59.91 3gaa h GLU 221 Cb 0.70 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 29.25 3gaa h GLU 221 CO 0.04 -0.10 0.14 1.96 -1.16 0.00 0.00 179.01 179.89 3gaa h GLN 222 N -0.50 0.17 -0.80 2.33 4.20 -1.13 0.32 115.11 119.71 3gaa h GLN 222 Ca -0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3gaa h GLN 222 Cb 0.12 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 3gaa h GLN 222 CO 0.03 0.11 0.42 0.28 -0.67 0.00 0.00 178.83 179.00 3gaa h VAL 223 N 0.18 1.24 -0.16 -0.54 2.07 -0.70 -2.11 116.25 116.23 3gaa h VAL 223 Ca 0.48 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 67.42 3gaa h VAL 223 Cb 0.90 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3gaa h VAL 223 CO -0.64 0.27 -0.14 0.11 0.02 0.00 0.00 177.57 177.19 3gaa h LYS 224 N 1.11 -0.15 0.18 1.57 1.57 -0.81 -1.26 116.57 118.77 3gaa h LYS 224 Ca 0.28 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.08 3gaa h LYS 224 Cb 0.05 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3gaa h LYS 224 CO -0.04 -0.10 -0.42 0.00 -0.57 0.00 0.00 179.45 178.32 3gaa h ALA 225 N 0.93 -0.77 -0.21 3.86 0.00 -1.24 -2.79 119.26 119.05 3gaa h ALA 225 Ca 0.10 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3gaa h ALA 225 Cb 0.31 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3gaa h ALA 225 CO -0.25 -1.00 0.24 -0.07 0.00 0.00 0.00 179.25 178.17 3gaa h LEU 226 N -0.69 0.00 -0.48 0.00 3.38 -1.11 0.49 115.31 116.91 3gaa h LEU 226 Ca 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3gaa h LEU 226 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3gaa h LEU 226 CO -0.21 0.00 -0.16 -0.78 0.09 0.00 0.00 178.44 177.38 3gaa h ASP 227 N 0.00 0.97 -0.24 -0.43 -0.00 -0.96 -1.26 116.42 114.50 3gaa h ASP 227 Ca 0.10 -0.38 0.05 0.00 -0.00 0.00 0.00 57.03 56.80 3gaa h ASP 227 Cb 0.58 -0.27 -0.07 0.00 -0.00 0.00 0.00 39.33 39.57 3gaa h ASP 227 CO -0.00 1.13 -0.46 -0.33 -0.00 0.00 0.00 179.24 179.58 3gaa h GLU 228 N 0.80 -0.44 0.66 0.28 4.39 -0.81 -0.73 114.58 118.73 3gaa h GLU 228 Ca 0.11 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 3gaa h GLU 228 Cb 0.73 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 3gaa h GLU 228 CO 0.06 -0.29 -0.39 1.96 -1.16 0.00 0.00 179.01 179.19 3gaa h GLN 229 N -0.45 -0.94 -0.15 2.33 4.20 -1.50 -1.52 115.11 117.08 3gaa h GLN 229 Ca 0.09 0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.90 3gaa h GLN 229 Cb 0.62 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 3gaa h GLN 229 CO -0.48 -0.62 0.20 0.82 -0.67 0.00 0.00 178.83 178.08 3gaa h ILE 230 N -0.97 0.39 0.04 2.54 5.03 -1.11 0.56 117.51 123.99 3gaa h ILE 230 Ca -0.09 0.00 -0.23 0.00 -0.12 0.00 0.00 64.86 64.42 3gaa h ILE 230 Cb 0.77 0.84 -0.00 0.00 -3.03 0.00 0.00 36.82 35.40 3gaa h ILE 230 CO 0.10 0.00 -1.00 0.50 -0.68 0.00 0.00 178.15 177.07 3gaa h LYS 231 N 0.00 0.26 -0.47 2.37 3.64 -0.64 -2.35 116.57 119.39 3gaa h LYS 231 Ca 0.07 -0.33 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 3gaa h LYS 231 Cb 0.46 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3gaa h LYS 231 CO -0.00 1.07 0.19 0.87 -2.27 0.00 0.00 179.45 179.31 3gaa h LYS 232 N 0.13 0.70 -0.02 1.90 1.57 0.11 -0.00 116.57 120.95 3gaa h LYS 232 Ca -0.08 -0.12 -0.19 0.00 -1.87 0.00 0.00 60.65 58.39 3gaa h LYS 232 Cb 1.67 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 3gaa h LYS 232 CO 0.16 0.63 -0.82 0.82 -0.57 0.00 0.00 179.45 179.67 3gaa h ILE 233 N 0.61 1.44 -0.56 1.86 2.04 -1.50 0.10 117.51 121.50 3gaa h ILE 233 Ca 0.16 -2.40 0.09 0.00 1.00 0.00 0.00 64.86 63.71 3gaa h ILE 233 Cb 0.19 2.32 -0.07 0.00 -0.74 0.00 0.00 36.82 38.51 3gaa h ILE 233 CO -0.01 0.71 0.16 -0.33 0.00 0.00 0.00 178.15 178.67 3gaa h GLU 234 N 0.18 0.30 -0.15 2.37 5.08 -1.33 0.13 114.58 121.16 3gaa h GLU 234 Ca -0.04 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3gaa h GLU 234 Cb 1.42 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 3gaa h GLU 234 CO 0.13 0.20 -0.07 0.93 -1.00 0.00 0.00 179.01 179.20 3gaa h GLU 235 N 0.31 0.31 -0.05 2.33 5.08 -0.74 -0.88 114.58 120.95 3gaa h GLU 235 Ca 0.29 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3gaa h GLU 235 Cb 0.38 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3gaa h GLU 235 CO -0.33 0.63 -0.26 1.96 -1.00 0.00 0.00 179.01 180.02 3gaa h GLN 236 N -0.02 0.08 -0.11 2.33 4.20 -0.72 -1.84 115.11 119.03 3gaa h GLN 236 Ca 0.03 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 3gaa h GLN 236 Cb 0.54 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 3gaa h GLN 236 CO 0.02 0.34 -0.14 -0.92 -0.67 0.00 0.00 178.83 177.46 3gaa h TYR 237 N 0.07 0.35 -0.90 2.96 3.20 -0.79 0.24 116.97 122.09 3gaa h TYR 237 Ca 0.01 -0.11 0.10 0.00 3.14 0.00 0.00 58.73 61.87 3gaa h TYR 237 Cb 0.50 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.62 3gaa h TYR 237 CO 0.00 0.73 0.55 -0.22 -1.64 0.00 0.00 178.16 177.58 3gaa h LYS 238 N -0.14 0.88 -0.38 1.82 3.64 -1.10 -0.78 116.57 120.51 3gaa h LYS 238 Ca 0.01 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3gaa h LYS 238 Cb 0.69 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 3gaa h LYS 238 CO 0.03 0.58 0.20 0.93 -2.27 0.00 0.00 179.45 178.93 3gaa h GLU 239 N 0.91 0.40 -0.70 1.90 5.08 -1.06 0.22 114.58 121.33 3gaa h GLU 239 Ca 0.43 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.71 3gaa h GLU 239 Cb 0.37 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3gaa h GLU 239 CO -0.24 0.26 0.22 1.25 -1.00 0.00 0.00 179.01 179.50 3gaa h LEU 240 N 0.41 1.00 -0.31 1.33 5.85 -0.09 0.44 115.31 123.93 3gaa h LEU 240 Ca 0.16 -0.18 -0.20 0.00 0.84 0.00 0.00 57.88 58.51 3gaa h LEU 240 Cb 0.06 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3gaa h LEU 240 CO -0.10 0.93 -0.84 1.56 -0.34 0.00 0.00 178.44 179.64 3gaa h GLN 241 N 1.03 0.27 0.12 1.25 4.20 -0.79 -2.05 115.11 119.14 3gaa h GLN 241 Ca 0.23 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3gaa h GLN 241 Cb 0.28 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3gaa h GLN 241 CO -0.01 0.97 -0.06 1.49 -0.67 0.00 0.00 178.83 180.55 3gaa h GLU 242 N 0.16 -0.16 -0.36 1.46 4.81 -0.18 -2.83 114.58 117.47 3gaa h GLU 242 Ca -0.05 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 3gaa h GLU 242 Cb 1.45 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.80 3gaa h GLU 242 CO 0.13 -0.09 -0.10 0.87 -0.73 0.00 0.00 179.01 179.10 3gaa h LYS 243 N -0.19 -0.01 0.00 1.92 1.57 -0.82 -0.71 116.57 118.32 3gaa h LYS 243 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3gaa h LYS 243 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3gaa h LYS 243 CO 0.03 -0.01 0.00 1.04 -0.57 0.00 0.00 179.45 179.94 3gaa n GLN 244 N -5.29 0.00 -0.07 3.15 6.02 -0.78 -2.65 117.38 117.75 3gaa n GLN 244 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.87 3gaa n GLN 244 Cb 0.21 -1.41 -0.06 0.00 1.02 0.00 0.00 30.24 30.01 3gaa n GLN 244 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3gaa n LYS 245 N -0.80 0.32 0.00 -1.09 4.76 -0.28 -5.07 118.16 116.00 3gaa n LYS 245 Ca 0.00 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 3gaa n LYS 245 Cb 0.00 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 3gaa n LYS 245 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12