#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gaa s ILE 5 N 0.00 4.47 0.05 3.17 1.09 -1.26 -5.03 121.20 123.69 3gaa s ILE 5 Ca 0.00 -0.19 0.01 0.00 -1.10 0.00 0.00 60.65 59.37 3gaa s ILE 5 Cb 0.00 -4.55 -0.03 0.00 -1.06 0.00 0.00 42.46 36.82 3gaa s ILE 5 CO 0.00 -1.20 -0.05 0.00 -0.10 0.00 0.00 174.94 173.59 3gaa s MET 6 N 3.69 0.58 0.43 2.79 0.23 -1.26 -5.15 119.30 120.62 3gaa s MET 6 Ca 0.23 -0.98 -0.08 0.00 -1.03 0.00 0.00 55.69 53.83 3gaa s MET 6 Cb -0.16 -0.07 -0.05 0.00 -1.53 0.00 0.00 34.83 33.02 3gaa s MET 6 CO 0.14 -0.03 0.78 0.08 -2.03 0.00 0.00 175.02 173.96 3gaa s VAL 7 N -2.54 4.83 -0.28 5.16 1.01 -1.26 -5.08 120.40 122.25 3gaa s VAL 7 Ca -0.02 0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 3gaa s VAL 7 Cb -0.02 -3.78 0.16 0.00 0.00 0.00 0.00 36.38 32.74 3gaa s VAL 7 CO -0.04 -0.65 0.54 0.21 0.00 0.00 0.00 175.10 175.17 3gaa s ASN 8 N -3.52 -0.91 0.01 3.32 3.84 -1.26 -5.14 114.94 111.28 3gaa s ASN 8 Ca 0.50 0.82 -0.11 0.00 0.21 0.00 0.00 52.86 54.27 3gaa s ASN 8 Cb -0.10 1.89 -0.05 0.00 -0.55 0.00 0.00 41.25 42.43 3gaa s ASN 8 CO 0.37 -0.26 0.36 -0.54 -2.79 0.00 0.00 177.10 174.23 3gaa s LYS 9 N 2.78 3.77 0.18 0.43 -0.14 -1.26 -5.02 119.74 120.49 3gaa s LYS 9 Ca 0.15 0.22 -0.30 0.00 -1.36 0.00 0.00 55.97 54.68 3gaa s LYS 9 Cb -0.15 -3.13 -0.09 0.00 -1.68 0.00 0.00 37.83 32.79 3gaa s LYS 9 CO -0.19 0.66 1.33 0.15 -0.76 0.00 0.00 175.35 176.54 3gaa s LYS 10 N -1.40 4.37 0.00 1.68 -0.14 -1.26 -2.08 119.74 120.91 3gaa s LYS 10 Ca 0.26 2.07 0.00 0.00 -1.36 0.00 0.00 55.97 56.94 3gaa s LYS 10 Cb -0.15 -3.20 0.00 0.00 -1.68 0.00 0.00 37.83 32.80 3gaa s LYS 10 CO 0.14 -0.30 0.00 0.00 -0.76 0.00 0.00 175.35 174.42 3gaa n ALA 11 N 2.90 0.00 0.08 5.17 0.00 -1.26 -4.78 120.51 122.62 3gaa n ALA 11 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.52 3gaa n ALA 11 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 0.00 0.49 -0.27 0.00 7.64 -0.88 -4.69 113.62 115.91 3gaa n SER 12 Ca 0.00 -0.74 0.25 0.00 1.01 0.00 0.00 58.87 59.39 3gaa n SER 12 Cb 0.00 0.63 0.46 0.00 -1.01 0.00 0.00 64.21 64.29 3gaa n SER 12 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3gaa n GLU 13 N -0.61 -0.05 -0.10 1.43 -0.58 -1.12 0.73 120.64 120.35 3gaa n GLU 13 Ca 0.01 1.16 0.04 0.00 -0.42 0.00 0.00 57.16 57.95 3gaa n GLU 13 Cb 0.04 -2.06 0.14 0.00 -0.57 0.00 0.00 31.44 28.98 3gaa n GLU 13 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3gaa n SER 14 N -4.93 1.08 0.00 1.62 3.41 -1.26 -3.03 113.62 110.51 3gaa n SER 14 Ca 0.30 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.96 3gaa n SER 14 Cb 1.02 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 3gaa n SER 14 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3gaa n GLN 15 N 0.07 0.50 -0.28 4.33 7.27 0.23 -2.29 117.38 127.20 3gaa n GLN 15 Ca 0.08 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.18 3gaa n GLN 15 Cb 0.18 -0.82 0.16 0.00 2.41 0.00 0.00 30.24 32.18 3gaa n GLN 15 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3gaa h VAL 16 N 0.00 0.90 0.00 1.69 2.07 -1.55 -2.89 116.25 116.47 3gaa h VAL 16 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3gaa h VAL 16 Cb 0.63 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3gaa h VAL 16 CO 0.00 0.14 -0.68 0.23 0.02 0.00 0.00 177.57 177.28 3gaa n MET 17 N -4.76 0.21 -3.76 1.57 2.81 -1.17 -4.96 117.12 107.06 3gaa n MET 17 Ca 0.13 0.04 -0.23 0.00 -1.81 0.00 0.00 57.70 55.84 3gaa n MET 17 Cb 0.28 -1.62 0.02 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.92 -4.35 -0.44 0.03 1.02 -1.09 -4.89 120.64 109.00 3gaa n GLU 18 Ca 0.04 0.56 0.08 0.00 -0.02 0.00 0.00 57.16 57.82 3gaa n GLU 18 Cb 0.41 -4.98 0.26 0.00 -0.02 0.00 0.00 31.44 27.11 3gaa n GLU 18 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3gaa n LEU 19 N -4.29 3.89 0.07 -4.62 0.00 -0.97 -4.85 117.00 106.22 3gaa n LEU 19 Ca -0.30 -2.89 0.19 0.00 0.00 0.00 0.00 56.01 53.01 3gaa n LEU 19 Cb 0.68 -0.52 0.71 0.00 0.00 0.00 0.00 43.42 44.29 3gaa n LEU 19 CO 0.70 0.68 1.17 -0.08 0.00 0.00 0.00 177.39 179.86 3gaa h GLU 20 N 1.97 0.00 0.00 1.96 4.57 -1.76 -2.92 114.58 118.40 3gaa h GLU 20 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3gaa h GLU 20 Cb 1.39 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 3gaa h GLU 20 CO 0.21 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.67 3gaa n LYS 21 N -4.25 0.09 0.05 1.92 4.01 -0.79 -3.67 118.16 115.52 3gaa n LYS 21 Ca 0.07 0.14 -0.05 0.00 -0.51 0.00 0.00 58.31 57.96 3gaa n LYS 21 Cb 0.51 -1.50 -0.10 0.00 -0.51 0.00 0.00 35.03 33.44 3gaa n LYS 21 CO 0.00 0.00 0.00 -0.09 -1.11 0.00 0.00 177.40 176.20 3gaa h ARG 22 N 0.00 0.00 -1.37 1.97 2.43 -1.82 -3.13 114.38 112.47 3gaa h ARG 22 Ca 0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 3gaa h ARG 22 Cb 0.30 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.71 3gaa h ARG 22 CO 0.00 0.71 0.40 0.27 -1.51 0.00 0.00 179.97 179.84 3gaa n ASN 23 N -3.20 5.63 -3.73 -3.80 6.94 -1.24 -4.84 115.26 111.02 3gaa n ASN 23 Ca -0.05 -3.00 -0.14 0.00 -0.02 0.00 0.00 54.58 51.37 3gaa n ASN 23 Cb 0.92 -0.95 -0.09 0.00 -2.36 0.00 0.00 39.78 37.30 3gaa n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 3gaa s TYR 24 N -1.80 -0.36 -1.01 -2.53 2.02 -1.18 -4.97 117.35 107.52 3gaa s TYR 24 Ca 0.31 0.77 -0.05 0.00 -0.37 0.00 0.00 57.07 57.73 3gaa s TYR 24 Cb 0.25 0.15 0.27 0.00 -0.40 0.00 0.00 41.96 42.22 3gaa s TYR 24 CO 0.01 -0.31 1.09 0.09 -1.57 0.00 0.00 175.55 174.86 3gaa n ASN 25 N 2.09 5.26 -3.89 2.29 3.02 -0.94 -4.87 115.26 118.23 3gaa n ASN 25 Ca -0.17 -3.19 -0.29 0.00 -0.03 0.00 0.00 54.58 50.90 3gaa n ASN 25 Cb 0.57 -1.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 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 2.08 -2.08 -4.85 6.41 5.15 -1.26 -4.53 115.26 116.17 3gaa n ASN 26 Ca 0.24 -1.04 -0.32 0.00 -0.60 0.00 0.00 54.58 52.87 3gaa n ASN 26 Cb 0.37 -3.03 -0.03 0.00 -0.53 0.00 0.00 39.78 36.56 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 -6.46 3.90 0.11 1.20 0.04 -1.26 -4.16 135.00 128.37 3gaa s PRO 27 Ca 0.18 0.84 -0.23 0.00 0.04 0.00 0.00 61.00 61.83 3gaa s PRO 27 Cb -0.07 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 3gaa s PRO 27 CO 0.89 -0.23 0.70 0.54 0.04 0.00 0.00 177.00 178.94 3gaa s VAL 28 N -2.59 4.57 -0.14 -0.36 0.11 -0.53 -1.58 120.40 119.88 3gaa s VAL 28 Ca 0.57 1.52 0.00 0.00 -2.93 0.00 0.00 61.98 61.14 3gaa s VAL 28 Cb -0.10 -4.05 -0.01 0.00 -1.53 0.00 0.00 36.38 30.69 3gaa s VAL 28 CO 0.32 0.50 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.76 3gaa s VAL 29 N -0.90 2.86 -0.12 2.04 1.01 0.21 -1.35 120.40 124.15 3gaa s VAL 29 Ca 0.34 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 3gaa s VAL 29 Cb -0.21 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3gaa s VAL 29 CO 0.23 0.52 -0.08 -0.76 0.00 0.00 0.00 175.10 175.01 3gaa s LEU 30 N 0.58 3.06 0.01 3.92 1.43 0.23 0.32 118.68 128.22 3gaa s LEU 30 Ca -0.08 -0.16 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 3gaa s LEU 30 Cb -0.16 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 3gaa s LEU 30 CO 0.03 0.22 -0.25 0.00 0.23 0.00 0.00 176.35 176.59 3gaa s GLY 32 N -0.85 0.58 0.16 0.00 0.00 -0.73 -1.37 107.32 105.12 3gaa s GLY 32 Ca 0.10 -0.45 0.07 0.00 0.00 0.00 0.00 44.72 44.44 3gaa s GLY 32 CO 0.00 1.36 0.01 -1.36 0.00 0.00 0.00 173.10 173.11 3gaa s PHE 33 N 1.93 2.88 -0.86 1.90 0.08 -1.26 -1.70 117.98 120.95 3gaa s PHE 33 Ca 0.02 -0.11 -0.20 0.00 0.12 0.00 0.00 56.93 56.75 3gaa s PHE 33 Cb -0.15 -1.41 0.10 0.00 -0.57 0.00 0.00 43.02 40.99 3gaa s PHE 33 CO -0.07 0.51 1.12 0.00 -0.10 0.00 0.00 175.22 176.68 3gaa s ALA 34 N -1.65 3.21 0.00 5.36 0.00 -0.85 -4.19 121.76 123.65 3gaa s ALA 34 Ca 0.27 -2.44 0.00 0.00 0.00 0.00 0.00 51.96 49.79 3gaa s ALA 34 Cb -0.10 -4.06 0.00 0.00 0.00 0.00 0.00 23.12 18.96 3gaa s ALA 34 CO 0.19 -3.01 0.00 0.41 0.00 0.00 0.00 175.76 173.35 3gaa n GLY 35 N 5.62 3.23 0.30 0.00 0.00 -1.26 -3.86 105.19 109.22 3gaa n GLY 35 Ca 0.17 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 45.69 3gaa n GLY 35 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gaa h SER 36 N 0.00 0.86 -1.17 1.61 4.64 -1.91 -3.43 113.55 114.15 3gaa h SER 36 Ca 0.00 -0.20 -0.65 0.00 -0.47 0.00 0.00 61.79 60.48 3gaa h SER 36 Cb 0.00 -0.23 -0.13 0.00 -0.31 0.00 0.00 62.40 61.73 3gaa h SER 36 CO 0.00 0.89 -0.56 0.42 -0.87 0.00 0.00 176.83 176.70 3gaa s THR 37 N -5.10 1.70 -2.59 2.95 -4.23 -1.26 -4.96 115.64 102.15 3gaa s THR 37 Ca -0.10 -1.99 0.21 0.00 -1.18 0.00 0.00 61.69 58.63 3gaa s THR 37 Cb 0.15 -2.69 0.16 0.00 1.34 0.00 0.00 72.50 71.46 3gaa s THR 37 CO 0.82 0.00 1.16 -0.81 -0.54 0.00 0.00 174.62 175.25 3gaa n PRO 38 N -1.09 1.88 0.24 3.99 -0.05 -1.26 -4.64 135.00 134.07 3gaa n PRO 38 Ca -0.10 -1.73 0.08 0.00 -0.05 0.00 0.00 63.50 61.70 3gaa n PRO 38 Cb 0.67 -1.40 0.60 0.00 -0.05 0.00 0.00 33.50 33.32 3gaa n PRO 38 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 175.50 177.24 3gaa h THR 39 N 4.06 0.91 0.28 0.52 1.35 -1.92 -1.39 112.91 116.71 3gaa h THR 39 Ca 0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3gaa h THR 39 Cb 0.87 1.33 -0.03 0.00 -1.73 0.00 0.00 68.15 68.59 3gaa h THR 39 CO 0.00 0.15 -0.35 1.23 -0.25 0.00 0.00 175.52 176.31 3gaa h GLY 40 N 0.64 -0.77 1.56 5.82 0.00 -1.82 0.59 103.07 109.08 3gaa h GLY 40 Ca -0.00 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 3gaa h GLY 40 CO 0.02 -0.28 -0.48 -0.39 0.00 0.00 0.00 176.54 175.41 3gaa h VAL 41 N -0.68 0.07 -0.15 4.60 -1.51 -1.66 -1.08 116.25 115.83 3gaa h VAL 41 Ca -0.01 -1.11 -0.09 0.00 -1.23 0.00 0.00 66.70 64.26 3gaa h VAL 41 Cb 0.64 1.83 -0.00 0.00 -2.13 0.00 0.00 31.29 31.63 3gaa h VAL 41 CO -0.11 0.04 -0.26 -0.07 -1.23 0.00 0.00 177.57 175.94 3gaa h LEU 42 N 0.00 0.50 -0.42 4.19 3.38 -1.14 -0.09 115.31 121.73 3gaa h LEU 42 Ca -0.01 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.49 3gaa h LEU 42 Cb 1.04 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 3gaa h LEU 42 CO 0.01 0.94 0.11 0.00 0.09 0.00 0.00 178.44 179.59 3gaa h ALA 43 N 0.57 0.48 -0.15 1.53 0.00 0.26 0.32 119.26 122.28 3gaa h ALA 43 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gaa h ALA 43 Cb 0.84 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3gaa h ALA 43 CO 0.06 -0.29 0.10 0.00 0.00 0.00 0.00 179.25 179.12 3gaa h ALA 44 N 1.31 0.19 -0.38 0.00 0.00 -1.08 -1.48 119.26 117.81 3gaa h ALA 44 Ca 0.20 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3gaa h ALA 44 Cb 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3gaa h ALA 44 CO -0.24 -0.32 -0.13 0.77 0.00 0.00 0.00 179.25 179.33 3gaa h SER 45 N 0.19 0.66 -0.06 0.00 0.02 -0.85 -1.49 113.55 112.02 3gaa h SER 45 Ca 0.05 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3gaa h SER 45 Cb -0.01 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 3gaa h SER 45 CO -0.01 0.81 0.02 0.22 -1.14 0.00 0.00 176.83 176.73 3gaa h TYR 46 N 0.61 0.10 -0.20 3.45 5.03 -0.52 -2.19 116.97 123.25 3gaa h TYR 46 Ca 0.11 -0.01 -0.18 0.00 2.58 0.00 0.00 58.73 61.23 3gaa h TYR 46 Cb 0.57 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.82 3gaa h TYR 46 CO 0.03 0.26 -0.60 -0.84 -1.32 0.00 0.00 178.16 175.69 3gaa h ILE 47 N -0.09 1.31 -0.89 1.81 -0.00 -0.94 -0.65 117.51 118.05 3gaa h ILE 47 Ca 0.02 -1.83 -0.01 0.00 -0.00 0.00 0.00 64.86 63.04 3gaa h ILE 47 Cb 0.21 1.79 -0.04 0.00 -0.00 0.00 0.00 36.82 38.77 3gaa h ILE 47 CO -0.00 0.58 0.54 0.58 -0.00 0.00 0.00 178.15 179.84 3gaa h VAL 48 N 0.50 1.25 0.58 0.16 2.07 -1.25 -0.49 116.25 119.06 3gaa h VAL 48 Ca -0.00 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3gaa h VAL 48 Cb 1.17 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3gaa h VAL 48 CO 0.12 0.26 -0.38 -0.08 0.02 0.00 0.00 177.57 177.50 3gaa h GLU 49 N 1.23 -0.88 0.01 1.57 4.22 -0.98 -1.96 114.58 117.79 3gaa h GLU 49 Ca 0.32 0.06 -0.23 0.00 0.08 0.00 0.00 59.36 59.59 3gaa h GLU 49 Cb -0.05 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3gaa h GLU 49 CO -0.06 -0.59 -0.98 1.79 -2.18 0.00 0.00 179.01 177.00 3gaa h THR 50 N -0.92 1.40 -0.01 0.32 1.35 -0.64 -2.01 112.91 112.40 3gaa h THR 50 Ca -0.07 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.30 3gaa h THR 50 Cb 0.76 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 3gaa h THR 50 CO 0.05 0.74 0.00 0.18 -0.25 0.00 0.00 175.52 176.25 3gaa n LEU 51 N -3.73 0.93 -2.07 3.87 4.77 -0.23 -4.90 117.00 115.64 3gaa n LEU 51 Ca -0.07 -0.47 -0.11 0.00 -0.03 0.00 0.00 56.01 55.33 3gaa n LEU 51 Cb 0.85 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 3gaa n LEU 51 CO 0.52 0.22 -0.13 0.61 -1.33 0.00 0.00 177.39 177.28 3gaa n GLY 52 N 0.10 0.01 3.68 -0.72 0.00 -0.76 -4.88 105.19 102.63 3gaa n GLY 52 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3gaa n GLY 52 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gaa s MET 53 N -4.33 1.12 0.16 1.61 -1.94 -0.75 -4.94 119.30 110.23 3gaa s MET 53 Ca 0.00 1.57 0.07 0.00 -1.71 0.00 0.00 55.69 55.63 3gaa s MET 53 Cb 0.00 -1.74 -0.04 0.00 2.01 0.00 0.00 34.83 35.06 3gaa s MET 53 CO 0.00 -2.56 -0.16 -3.38 -0.01 0.00 0.00 175.02 168.91 3gaa s HIS 54 N -2.59 1.64 0.43 -0.03 -3.43 -0.44 -4.91 115.29 105.95 3gaa s HIS 54 Ca 0.67 -0.53 -0.24 0.00 -0.80 0.00 0.00 55.06 54.17 3gaa s HIS 54 Cb -0.23 -0.82 -0.08 0.00 -1.43 0.00 0.00 32.58 30.01 3gaa s HIS 54 CO 0.57 0.26 1.11 -1.14 -2.00 0.00 0.00 174.74 173.54 3gaa s GLN 55 N -2.93 3.97 0.00 -0.38 0.74 -1.26 -0.48 119.66 119.32 3gaa s GLN 55 Ca 0.15 1.65 0.00 0.00 0.05 0.00 0.00 55.36 57.21 3gaa s GLN 55 Cb -0.04 -2.49 0.00 0.00 1.10 0.00 0.00 33.01 31.58 3gaa s GLN 55 CO 0.05 -0.34 0.00 0.28 -0.55 0.00 0.00 175.29 174.73 3gaa n VAL 56 N -0.25 0.00 -3.49 1.34 0.31 0.44 -4.85 118.33 111.83 3gaa n VAL 56 Ca 0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.28 3gaa n VAL 56 Cb 0.49 0.02 -0.03 0.00 -0.91 0.00 0.00 33.84 33.41 3gaa n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gaa s ALA 57 N -0.36 -1.76 0.20 3.52 0.00 -0.97 -5.00 121.76 117.39 3gaa s ALA 57 Ca 0.00 0.96 0.10 0.00 0.00 0.00 0.00 51.96 53.02 3gaa s ALA 57 Cb 0.00 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 3gaa s ALA 57 CO 0.00 -0.63 -0.19 -1.01 0.00 0.00 0.00 175.76 173.93 3gaa s HIS 58 N -2.82 2.03 -0.13 0.00 3.76 -1.26 -0.40 115.29 116.47 3gaa s HIS 58 Ca 0.01 -0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 54.48 3gaa s HIS 58 Cb -0.01 -0.97 -0.02 0.00 1.11 0.00 0.00 32.58 32.69 3gaa s HIS 58 CO -0.07 0.47 -0.10 -1.17 -0.85 0.00 0.00 174.74 173.02 3gaa s LEU 59 N -2.96 2.92 -0.09 0.89 0.20 -1.13 -4.95 118.68 113.56 3gaa s LEU 59 Ca 0.21 -0.23 0.04 0.00 0.69 0.00 0.00 54.13 54.84 3gaa s LEU 59 Cb -0.05 -1.67 -0.00 0.00 -0.43 0.00 0.00 46.19 44.04 3gaa s LEU 59 CO 0.09 0.19 -0.24 -0.63 -0.29 0.00 0.00 176.35 175.47 3gaa s ILE 60 N 0.20 2.06 -0.28 6.68 1.01 -1.26 -4.74 121.20 124.88 3gaa s ILE 60 Ca -0.06 -1.02 -0.25 0.00 0.00 0.00 0.00 60.65 59.32 3gaa s ILE 60 Cb -0.15 -1.78 0.12 0.00 0.01 0.00 0.00 42.46 40.66 3gaa s ILE 60 CO 0.04 0.56 1.00 -0.55 0.00 0.00 0.00 174.94 175.99 3gaa s SER 61 N 0.27 -0.48 0.61 3.58 0.15 -1.26 -4.96 113.70 111.61 3gaa s SER 61 Ca -0.17 0.92 0.30 0.00 0.70 0.00 0.00 55.95 57.70 3gaa s SER 61 Cb -0.17 0.95 1.64 0.00 -1.71 0.00 0.00 66.02 66.73 3gaa s SER 61 CO 0.08 -0.16 2.02 -0.61 1.20 0.00 0.00 173.24 175.77 3gaa h GLN 62 N 4.38 0.00 0.00 5.44 4.15 -2.03 -2.86 115.11 124.19 3gaa h GLN 62 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.14 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 0.11 0.00 -0.93 0.72 -1.93 0.00 0.00 178.83 176.80 3gaa n HIS 63 N -3.55 0.25 -2.07 3.99 8.25 -1.26 -4.77 115.22 116.06 3gaa n HIS 63 Ca 0.03 0.07 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 3gaa n HIS 63 Cb 0.42 -0.41 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 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 -3.16 2.93 -0.01 1.59 1.01 -1.08 -4.76 121.20 117.72 3gaa s ILE 64 Ca 0.05 0.70 -0.33 0.00 0.00 0.00 0.00 60.65 61.07 3gaa s ILE 64 Cb 0.15 -3.45 -0.12 0.00 0.01 0.00 0.00 42.46 39.05 3gaa s ILE 64 CO 0.79 0.07 1.84 -2.65 0.00 0.00 0.00 174.94 174.99 3gaa n PRO 65 N 3.43 2.34 -0.46 2.79 -0.02 -1.26 -4.78 135.00 137.04 3gaa n PRO 65 Ca 0.10 0.86 -0.05 0.00 -2.02 0.00 0.00 63.50 62.39 3gaa n PRO 65 Cb 0.41 -2.71 -0.07 0.00 -0.02 0.00 0.00 33.50 31.10 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 6.17 0.93 -5.00 0.52 -0.04 -1.26 -4.80 135.00 131.52 3gaa n PRO 66 Ca 0.21 -0.42 -0.32 0.00 -0.04 0.00 0.00 63.50 62.92 3gaa n PRO 66 Cb 0.32 -1.67 -0.15 0.00 -0.04 0.00 0.00 33.50 31.95 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 1.82 2.58 0.19 0.52 1.01 -1.26 -5.12 120.40 120.14 3gaa s VAL 67 Ca 0.28 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 3gaa s VAL 67 Cb 0.14 -2.03 -0.08 0.00 0.00 0.00 0.00 36.38 34.40 3gaa s VAL 67 CO 0.00 0.55 0.71 0.00 0.00 0.00 0.00 175.10 176.36 3gaa s ALA 68 N 0.21 3.45 -0.12 5.51 0.00 -1.26 -4.42 121.76 125.13 3gaa s ALA 68 Ca -0.11 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.92 3gaa s ALA 68 Cb -0.16 -2.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 3gaa s ALA 68 CO 0.06 0.33 0.25 0.54 0.00 0.00 0.00 175.76 176.95 3gaa s VAL 69 N -1.38 5.32 -0.07 0.00 0.11 0.46 -4.94 120.40 119.91 3gaa s VAL 69 Ca 0.39 0.47 0.10 0.00 -2.93 0.00 0.00 61.98 60.01 3gaa s VAL 69 Cb -0.19 -3.56 0.15 0.00 -1.53 0.00 0.00 36.38 31.25 3gaa s VAL 69 CO 0.22 0.50 1.07 0.33 -3.33 0.00 0.00 175.10 173.89 3gaa n PHE 70 N 2.72 0.00 -1.78 1.54 7.35 -1.25 -0.84 117.46 125.21 3gaa n PHE 70 Ca -0.15 -0.53 -0.39 0.00 -0.76 0.00 0.00 57.45 55.62 3gaa n PHE 70 Cb 0.53 -0.10 0.04 0.00 0.35 0.00 0.00 39.48 40.30 3gaa n PHE 70 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3gaa s VAL 71 N -1.51 2.05 -1.70 -2.13 0.11 -1.26 -1.81 120.40 114.15 3gaa s VAL 71 Ca 0.17 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 3gaa s VAL 71 Cb 0.14 -3.02 0.00 0.00 -1.53 0.00 0.00 36.38 31.97 3gaa s VAL 71 CO 0.02 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 3gaa n GLY 72 N 0.70 1.56 2.98 6.54 0.00 -1.26 -2.65 105.19 113.06 3gaa n GLY 72 Ca 0.10 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.34 -0.51 3.26 -0.02 0.00 -0.75 -5.01 105.19 101.82 3gaa n GLY 73 Ca -0.16 0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -5.64 3.15 -0.14 1.61 -2.85 -1.08 -5.12 119.74 109.67 3gaa s LYS 74 Ca 0.26 -0.81 -0.18 0.00 -1.00 0.00 0.00 55.97 54.24 3gaa s LYS 74 Cb -0.13 -2.44 -0.04 0.00 -2.06 0.00 0.00 37.83 33.17 3gaa s LYS 74 CO 0.33 0.15 0.48 -1.17 0.10 0.00 0.00 175.35 175.23 3gaa s LEU 75 N 0.46 4.25 0.21 2.77 2.96 -1.26 -3.92 118.68 124.15 3gaa s LEU 75 Ca -0.14 0.78 -0.22 0.00 -0.22 0.00 0.00 54.13 54.33 3gaa s LEU 75 Cb -0.17 -2.69 0.04 0.00 0.50 0.00 0.00 46.19 43.88 3gaa s LEU 75 CO 0.06 -0.04 0.64 0.00 -1.32 0.00 0.00 176.35 175.69 3gaa s ARG 76 N 0.83 1.50 0.32 1.98 1.04 -0.02 -5.00 118.95 119.61 3gaa s ARG 76 Ca 0.25 -0.73 -0.28 0.00 -1.04 0.00 0.00 55.73 53.93 3gaa s ARG 76 Cb -0.15 0.59 -0.10 0.00 -2.04 0.00 0.00 34.95 33.25 3gaa s ARG 76 CO 0.10 -0.67 1.16 -1.58 -0.04 0.00 0.00 175.30 174.27 3gaa s HIS 77 N -3.84 3.35 0.22 5.89 5.65 -1.26 -0.40 115.29 124.90 3gaa s HIS 77 Ca 0.06 1.61 0.18 0.00 0.25 0.00 0.00 55.06 57.16 3gaa s HIS 77 Cb -0.03 -3.39 0.72 0.00 -1.18 0.00 0.00 32.58 28.70 3gaa s HIS 77 CO -0.03 -0.99 1.76 -1.00 -0.65 0.00 0.00 174.74 173.83 3gaa h PRO 78 N 3.45 0.00 -4.74 2.88 0.13 -1.92 -3.41 132.00 128.39 3gaa h PRO 78 Ca -0.48 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.97 3gaa h PRO 78 Cb 1.22 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.06 3gaa h PRO 78 CO 0.66 0.37 -0.63 0.12 -0.23 0.00 0.00 178.00 178.28 3gaa s PHE 79 N -3.71 3.22 0.06 1.56 2.19 -1.26 -2.09 117.98 117.94 3gaa s PHE 79 Ca -0.01 -1.39 0.05 0.00 0.33 0.00 0.00 56.93 55.91 3gaa s PHE 79 Cb 0.12 -2.23 -0.03 0.00 -1.31 0.00 0.00 43.02 39.57 3gaa s PHE 79 CO 0.69 -0.70 -0.15 1.03 1.83 0.00 0.00 175.22 177.92 3gaa s ARG 80 N 1.40 0.89 -0.13 10.12 0.52 -0.29 -2.84 118.95 128.61 3gaa s ARG 80 Ca -0.01 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.33 3gaa s ARG 80 Cb -0.19 -0.91 0.00 0.00 0.52 0.00 0.00 34.95 34.37 3gaa s ARG 80 CO 0.02 0.21 -0.19 0.42 0.02 0.00 0.00 175.30 175.78 3gaa s ILE 81 N -1.08 2.37 0.26 1.52 -1.09 0.46 -1.76 121.20 121.87 3gaa s ILE 81 Ca 0.00 -0.89 0.08 0.00 -2.23 0.00 0.00 60.65 57.62 3gaa s ILE 81 Cb -0.09 -1.96 -0.04 0.00 -1.58 0.00 0.00 42.46 38.79 3gaa s ILE 81 CO 0.02 0.54 0.09 -0.31 -1.23 0.00 0.00 174.94 174.05 3gaa s TYR 82 N 0.65 2.89 0.02 3.97 2.02 0.51 -0.42 117.35 127.00 3gaa s TYR 82 Ca -0.10 -0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 3gaa s TYR 82 Cb -0.16 -1.30 -0.02 0.00 -0.40 0.00 0.00 41.96 40.08 3gaa s TYR 82 CO 0.02 0.57 -0.04 0.00 -1.57 0.00 0.00 175.55 174.53 3gaa s ALA 83 N -2.21 0.21 0.92 3.71 0.00 0.37 -1.45 121.76 123.31 3gaa s ALA 83 Ca 0.32 -0.62 -0.15 0.00 0.00 0.00 0.00 51.96 51.51 3gaa s ALA 83 Cb -0.07 0.13 0.17 0.00 0.00 0.00 0.00 23.12 23.35 3gaa s ALA 83 CO 0.22 -0.13 1.28 0.54 0.00 0.00 0.00 175.76 177.67 3gaa s ASN 84 N -1.48 3.48 0.18 0.00 6.03 -0.98 -1.33 114.94 120.83 3gaa s ASN 84 Ca -0.15 0.36 0.00 0.00 -1.03 0.00 0.00 52.86 52.04 3gaa s ASN 84 Cb -0.10 -0.52 0.07 0.00 -3.03 0.00 0.00 41.25 37.67 3gaa s ASN 84 CO -0.01 -2.51 1.43 0.78 -2.03 0.00 0.00 177.10 174.76 3gaa h ASN 85 N -1.47 0.41 0.17 3.54 -0.26 -1.92 -2.43 115.58 113.61 3gaa h ASN 85 Ca -0.44 -0.28 0.00 0.00 -0.56 0.00 0.00 56.30 55.02 3gaa h ASN 85 Cb 1.26 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 38.40 3gaa h ASN 85 CO 0.44 1.02 0.00 -1.20 -1.06 0.00 0.00 177.43 176.63 3gaa n SER 86 N -3.80 0.00 -4.09 5.81 7.64 -1.26 -4.86 113.62 113.06 3gaa n SER 86 Ca -0.04 -0.10 -0.34 0.00 1.01 0.00 0.00 58.87 59.40 3gaa n SER 86 Cb 0.72 -0.18 -0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 -1.18 -4.03 -0.01 6.43 3.02 -0.92 -4.41 115.26 114.17 3gaa n ASN 87 Ca 0.08 -0.91 0.05 0.00 -0.03 0.00 0.00 54.58 53.77 3gaa n ASN 87 Cb 0.09 -3.27 -0.09 0.00 -0.61 0.00 0.00 39.78 35.90 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 -4.52 0.06 -4.50 3.41 -2.24 -1.26 -2.21 114.28 103.02 3gaa n THR 88 Ca 0.06 -0.27 -0.23 0.00 -2.27 0.00 0.00 64.05 61.35 3gaa n THR 88 Cb 0.50 0.16 -0.16 0.00 -2.10 0.00 0.00 70.33 68.73 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 -2.72 0.97 0.05 2.28 1.01 -1.26 -1.45 120.40 119.28 3gaa s VAL 89 Ca -0.04 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.58 3gaa s VAL 89 Cb 0.07 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 3gaa s VAL 89 CO 0.45 0.31 -0.15 -0.76 0.00 0.00 0.00 175.10 174.95 3gaa s LEU 90 N 0.42 2.77 -0.15 3.92 1.43 -0.46 -2.32 118.68 124.30 3gaa s LEU 90 Ca -0.08 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 3gaa s LEU 90 Cb -0.12 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.49 3gaa s LEU 90 CO 0.02 0.25 -0.20 -0.69 0.23 0.00 0.00 176.35 175.96 3gaa s VAL 91 N -0.99 2.25 -0.32 -1.59 1.01 -0.53 -0.61 120.40 119.63 3gaa s VAL 91 Ca 0.16 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 3gaa s VAL 91 Cb -0.11 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.36 3gaa s VAL 91 CO 0.07 0.54 0.13 0.00 0.00 0.00 0.00 175.10 175.84 3gaa s ALA 92 N 0.87 3.18 0.14 5.51 0.00 -0.50 -0.36 121.76 130.59 3gaa s ALA 92 Ca -0.05 -1.49 0.09 0.00 0.00 0.00 0.00 51.96 50.52 3gaa s ALA 92 Cb -0.15 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 3gaa s ALA 92 CO -0.02 -1.01 -0.22 0.00 0.00 0.00 0.00 175.76 174.51 3gaa s MET 93 N 1.55 1.29 -0.07 0.00 0.23 -0.72 -1.76 119.30 119.81 3gaa s MET 93 Ca 0.03 -1.33 -0.03 0.00 -1.03 0.00 0.00 55.69 53.33 3gaa s MET 93 Cb -0.18 -1.57 0.04 0.00 -1.53 0.00 0.00 34.83 31.59 3gaa s MET 93 CO 0.05 0.35 0.06 0.00 -2.03 0.00 0.00 175.02 173.45 3gaa n GLU 95 N 5.29 1.86 -4.33 0.00 1.02 -0.89 -2.01 120.64 121.59 3gaa n GLU 95 Ca -0.04 -1.27 -0.18 0.00 -0.02 0.00 0.00 57.16 55.65 3gaa n GLU 95 Cb 0.50 -1.45 -0.14 0.00 -0.02 0.00 0.00 31.44 30.32 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 -1.88 0.70 0.50 2.62 -7.23 -1.26 -4.87 120.40 108.98 3gaa s VAL 96 Ca 0.35 -0.46 -0.21 0.00 -1.81 0.00 0.00 61.98 59.84 3gaa s VAL 96 Cb 0.20 -0.61 -0.07 0.00 0.56 0.00 0.00 36.38 36.47 3gaa s VAL 96 CO 0.30 0.14 1.16 -2.16 -0.31 0.00 0.00 175.10 174.23 3gaa s PRO 97 N -0.36 3.56 -0.22 4.82 0.04 -1.25 -4.69 135.00 136.90 3gaa s PRO 97 Ca 0.02 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 62.64 3gaa s PRO 97 Cb -0.04 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 3gaa s PRO 97 CO -0.00 -0.70 0.32 0.42 0.04 0.00 0.00 177.00 177.07 3gaa s ILE 98 N -1.63 5.25 0.60 0.56 1.01 -1.26 -4.72 121.20 121.01 3gaa s ILE 98 Ca 0.68 0.52 -0.18 0.00 0.00 0.00 0.00 60.65 61.68 3gaa s ILE 98 Cb -0.27 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 3gaa s ILE 98 CO 0.32 0.27 1.15 -0.94 0.00 0.00 0.00 174.94 175.74 3gaa s SER 99 N 1.11 5.29 0.48 3.58 1.04 -1.26 -4.84 113.70 119.10 3gaa s SER 99 Ca 0.15 2.19 0.22 0.00 0.48 0.00 0.00 55.95 58.99 3gaa s SER 99 Cb -0.14 -2.58 1.23 0.00 0.10 0.00 0.00 66.02 64.63 3gaa s SER 99 CO 0.07 -1.51 2.02 0.77 0.98 0.00 0.00 173.24 175.57 3gaa h SER 100 N 0.67 0.00 0.21 7.02 4.64 -2.01 -0.48 113.55 123.60 3gaa h SER 100 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3gaa h SER 100 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3gaa h SER 100 CO 0.55 0.16 0.00 0.00 -0.87 0.00 0.00 176.83 176.67 3gaa n ALA 101 N -2.37 1.75 -0.18 5.18 0.00 -1.26 -3.40 120.51 120.23 3gaa n ALA 101 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3gaa n ALA 101 Cb 0.26 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.26 0.00 -0.29 0.00 -0.00 -0.19 -4.76 115.22 108.72 3gaa n HIS 102 Ca 0.06 -0.06 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 3gaa n HIS 102 Cb 0.09 -0.01 0.23 0.00 -0.00 0.00 0.00 29.99 30.31 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 0.23 0.27 -0.16 1.59 2.04 -1.60 -0.96 117.51 118.92 3gaa h ILE 103 Ca 0.00 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3gaa h ILE 103 Cb 0.16 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3gaa h ILE 103 CO 0.00 0.02 0.07 0.22 0.00 0.00 0.00 178.15 178.46 3gaa h TYR 104 N 0.12 0.23 -0.34 1.37 5.03 -1.85 0.59 116.97 122.12 3gaa h TYR 104 Ca 0.50 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.80 3gaa h TYR 104 Cb 0.95 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 39.14 3gaa h TYR 104 CO -0.38 0.28 0.22 1.49 -1.32 0.00 0.00 178.16 178.44 3gaa h GLU 105 N 0.12 0.43 -0.09 1.82 4.81 -1.71 -0.72 114.58 119.25 3gaa h GLU 105 Ca 0.05 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.02 3gaa h GLU 105 Cb 0.14 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.43 3gaa h GLU 105 CO -0.01 0.29 -0.88 0.82 -0.73 0.00 0.00 179.01 178.50 3gaa h ILE 106 N 0.44 1.29 -0.68 2.32 1.08 -1.07 -2.09 117.51 118.81 3gaa h ILE 106 Ca 0.13 -2.11 0.02 0.00 -0.39 0.00 0.00 64.86 62.51 3gaa h ILE 106 Cb -0.04 2.15 -0.04 0.00 -3.07 0.00 0.00 36.82 35.83 3gaa h ILE 106 CO -0.04 0.66 0.43 0.28 -0.69 0.00 0.00 178.15 178.79 3gaa h SER 107 N 0.46 0.72 -0.55 1.72 0.02 -0.84 -0.29 113.55 114.79 3gaa h SER 107 Ca -0.08 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 3gaa h SER 107 Cb 1.51 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 3gaa h SER 107 CO 0.17 0.51 0.19 -1.13 -1.14 0.00 0.00 176.83 175.43 3gaa h ASN 108 N 0.86 0.83 0.09 3.07 -1.24 -0.97 0.11 115.58 118.32 3gaa h ASN 108 Ca 0.26 -0.13 -0.00 0.00 0.71 0.00 0.00 56.30 57.14 3gaa h ASN 108 Cb -0.03 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 38.81 3gaa h ASN 108 CO -0.09 0.78 -0.04 0.74 -1.29 0.00 0.00 177.43 177.53 3gaa h THR 109 N 0.87 1.16 -0.18 -3.57 2.02 -0.91 -1.08 112.91 111.22 3gaa h THR 109 Ca 0.20 -1.26 0.04 0.00 0.77 0.00 0.00 66.41 66.15 3gaa h THR 109 Cb 0.25 1.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 3gaa h THR 109 CO -0.01 0.29 -0.06 0.25 0.37 0.00 0.00 175.52 176.36 3gaa h LEU 110 N -0.73 -0.21 -1.37 2.58 5.85 -1.02 -2.46 115.31 117.95 3gaa h LEU 110 Ca -0.01 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3gaa h LEU 110 Cb 0.57 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3gaa h LEU 110 CO 0.02 -0.08 0.00 0.24 -0.34 0.00 0.00 178.44 178.28 3gaa h MET 111 N -0.02 0.00 -0.34 1.25 2.86 -0.74 -0.44 114.93 117.50 3gaa h MET 111 Ca 0.09 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 3gaa h MET 111 Cb 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3gaa h MET 111 CO -0.20 0.00 -0.04 -0.91 1.06 0.00 0.00 176.91 176.82 3gaa h ASN 112 N 0.00 0.62 -0.56 1.22 -0.26 -0.75 -1.46 115.58 114.40 3gaa h ASN 112 Ca 0.00 -0.34 -0.11 0.00 -0.56 0.00 0.00 56.30 55.29 3gaa h ASN 112 Cb 0.54 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.61 3gaa h ASN 112 CO 0.00 0.82 -0.06 -0.25 -1.06 0.00 0.00 177.43 176.88 3gaa h TRP 113 N 0.42 1.14 -0.28 1.19 7.01 -0.91 -0.95 115.95 123.56 3gaa h TRP 113 Ca 0.09 -0.22 -0.03 0.00 2.11 0.00 0.00 58.89 60.84 3gaa h TRP 113 Cb 0.52 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 3gaa h TRP 113 CO 0.04 1.04 0.04 0.82 -2.79 0.00 0.00 178.44 177.59 3gaa h ILE 114 N 0.91 1.23 -0.23 2.65 2.04 -1.14 -2.43 117.51 120.54 3gaa h ILE 114 Ca 0.15 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.25 3gaa h ILE 114 Cb 0.62 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 3gaa h ILE 114 CO 0.04 0.26 -0.03 -0.78 0.00 0.00 0.00 178.15 177.63 3gaa h ASP 115 N 0.28 -0.17 0.21 1.72 1.82 -1.12 -2.60 116.42 116.56 3gaa h ASP 115 Ca 0.08 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 3gaa h ASP 115 Cb 0.34 0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.48 3gaa h ASP 115 CO 0.01 -0.05 -0.04 1.56 -1.61 0.00 0.00 179.24 179.10 3gaa h GLN 116 N 0.03 0.00 -0.01 0.28 7.50 -1.10 -1.78 115.11 120.02 3gaa h GLN 116 Ca 0.11 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.26 3gaa h GLN 116 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.69 3gaa h GLN 116 CO -0.22 0.04 -0.13 1.55 -1.50 0.00 0.00 178.83 178.57 3gaa n VAL 117 N -3.49 0.00 -1.22 -0.54 3.14 -0.92 -1.89 118.33 113.41 3gaa n VAL 117 Ca -0.02 -0.14 -0.02 0.00 -2.96 0.00 0.00 64.34 61.19 3gaa n VAL 117 Cb 0.15 0.26 -0.01 0.00 -1.06 0.00 0.00 33.84 33.18 3gaa n VAL 117 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gaa n GLY 118 N 1.26 0.53 3.76 7.55 0.00 -0.67 -4.47 105.19 113.14 3gaa n GLY 118 Ca 0.15 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.10 3.04 -0.11 4.61 0.00 -1.16 -4.21 121.76 121.84 3gaa s ALA 119 Ca 0.00 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.34 3gaa s ALA 119 Cb 0.00 -3.56 -0.24 0.00 0.00 0.00 0.00 23.12 19.32 3gaa s ALA 119 CO 0.00 -1.20 0.40 -1.13 0.00 0.00 0.00 175.76 173.83 3gaa n SER 120 N -0.54 1.55 -3.78 0.00 3.41 -0.61 -4.88 113.62 108.76 3gaa n SER 120 Ca 0.07 0.24 -0.13 0.00 -0.26 0.00 0.00 58.87 58.79 3gaa n SER 120 Cb 0.44 -0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 3gaa n SER 120 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3gaa s GLU 121 N -2.56 0.18 -0.18 4.33 2.02 -1.24 -3.46 118.70 117.77 3gaa s GLU 121 Ca -0.17 0.33 -0.05 0.00 0.02 0.00 0.00 54.97 55.11 3gaa s GLU 121 Cb 0.07 -0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.26 3gaa s GLU 121 CO 0.78 -0.09 -0.00 0.42 0.02 0.00 0.00 175.26 176.39 3gaa s ILE 122 N 0.60 4.10 -0.23 -1.63 1.09 -0.40 -0.62 121.20 124.10 3gaa s ILE 122 Ca -0.04 -0.27 -0.05 0.00 -1.10 0.00 0.00 60.65 59.18 3gaa s ILE 122 Cb -0.06 -2.83 -0.02 0.00 -1.06 0.00 0.00 42.46 38.49 3gaa s ILE 122 CO -0.03 0.46 0.01 -0.69 -0.10 0.00 0.00 174.94 174.58 3gaa s VAL 123 N 0.66 3.80 -0.19 2.92 1.01 0.15 -1.24 120.40 127.50 3gaa s VAL 123 Ca -0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 3gaa s VAL 123 Cb -0.14 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3gaa s VAL 123 CO 0.02 0.39 0.40 -0.63 0.00 0.00 0.00 175.10 175.27 3gaa s ILE 124 N 1.54 5.21 -0.21 2.22 1.09 -0.17 0.60 121.20 131.47 3gaa s ILE 124 Ca 0.06 0.72 -0.08 0.00 -1.10 0.00 0.00 60.65 60.25 3gaa s ILE 124 Cb -0.15 -3.73 -0.04 0.00 -1.06 0.00 0.00 42.46 37.48 3gaa s ILE 124 CO -0.00 0.27 0.09 -0.04 -0.10 0.00 0.00 174.94 175.16 3gaa s MET 125 N 1.16 3.94 0.26 2.79 -1.94 -0.47 -1.21 119.30 123.82 3gaa s MET 125 Ca 0.20 -0.35 -0.20 0.00 -1.71 0.00 0.00 55.69 53.62 3gaa s MET 125 Cb -0.15 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.39 3gaa s MET 125 CO 0.08 0.12 0.67 -1.83 -0.01 0.00 0.00 175.02 174.05 3gaa s GLU 126 N 0.82 1.68 -0.09 2.03 -1.05 -0.48 -4.24 118.70 117.38 3gaa s GLU 126 Ca 0.05 -0.95 0.03 0.00 -0.15 0.00 0.00 54.97 53.95 3gaa s GLU 126 Cb -0.13 0.59 -0.01 0.00 -0.44 0.00 0.00 34.13 34.13 3gaa s GLU 126 CO 0.02 -0.76 -0.18 0.20 0.95 0.00 0.00 175.26 175.49 3gaa s GLY 127 N -2.91 1.44 -0.05 -3.83 0.00 -1.26 -2.29 107.32 98.41 3gaa s GLY 127 Ca 0.11 -0.97 -0.19 0.00 0.00 0.00 0.00 44.72 43.67 3gaa s GLY 127 CO 0.04 -0.47 0.53 -1.35 0.00 0.00 0.00 173.10 171.85 3gaa s SER 128 N -0.05 6.84 0.73 1.64 1.04 -0.65 -4.34 113.70 118.92 3gaa s SER 128 Ca -0.05 1.00 -0.14 0.00 0.48 0.00 0.00 55.95 57.24 3gaa s SER 128 Cb -0.14 -2.32 0.04 0.00 0.10 0.00 0.00 66.02 63.69 3gaa s SER 128 CO 0.04 0.07 1.17 -2.84 0.98 0.00 0.00 173.24 172.67 3gaa s PRO 129 N 0.10 2.20 0.23 4.02 0.02 -1.26 -1.22 135.00 139.09 3gaa s PRO 129 Ca 0.29 1.63 -0.19 0.00 0.02 0.00 0.00 61.00 62.74 3gaa s PRO 129 Cb -0.17 -1.85 0.03 0.00 0.02 0.00 0.00 34.50 32.52 3gaa s PRO 129 CO 0.14 -1.76 0.61 0.00 -0.33 0.00 0.00 177.00 175.66 3gaa s ALA 130 N -2.17 -1.04 -0.19 -1.55 0.00 -0.67 -4.67 121.76 111.46 3gaa s ALA 130 Ca 0.71 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.43 3gaa s ALA 130 Cb -0.26 0.89 -0.13 0.00 0.00 0.00 0.00 23.12 23.62 3gaa s ALA 130 CO 0.46 -0.90 -0.17 0.09 0.00 0.00 0.00 175.76 175.23 3gaa n ASN 131 N -0.40 2.47 0.00 0.00 3.02 -1.26 -4.35 115.26 114.73 3gaa n ASN 131 Ca -0.07 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 3gaa n ASN 131 Cb 0.61 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 3gaa n ASN 131 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gaa n GLY 132 N 2.55 0.87 0.00 7.41 0.00 -1.26 -5.04 105.19 109.72 3gaa n GLY 132 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3gaa n GLY 132 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gaa n PRO 134 N 0.00 3.20 0.00 1.61 -0.02 -1.26 -4.94 135.00 133.60 3gaa n PRO 134 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3gaa n PRO 134 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3gaa n PRO 134 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3gaa n GLU 135 N 0.00 0.06 -2.15 -0.52 2.13 -1.26 -4.82 120.64 114.09 3gaa n GLU 135 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 3gaa n GLU 135 Cb 0.00 -0.54 -0.03 0.00 0.27 0.00 0.00 31.44 31.15 3gaa n GLU 135 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 3gaa s GLU 136 N -1.08 3.26 -0.29 5.31 4.04 -1.26 -4.99 118.70 123.70 3gaa s GLU 136 Ca 0.00 1.02 -0.06 0.00 0.04 0.00 0.00 54.97 55.97 3gaa s GLU 136 Cb 0.00 -4.18 0.01 0.00 0.02 0.00 0.00 34.13 29.98 3gaa s GLU 136 CO 0.00 -1.95 0.07 0.50 -1.84 0.00 0.00 175.26 172.04 3gaa s ARG 137 N 5.70 3.05 0.34 -4.83 3.52 -1.26 -5.09 118.95 120.37 3gaa s ARG 137 Ca 0.69 -0.88 -0.26 0.00 -0.13 0.00 0.00 55.73 55.14 3gaa s ARG 137 Cb -0.17 -3.35 -0.09 0.00 -1.56 0.00 0.00 34.95 29.78 3gaa s ARG 137 CO 0.30 -0.45 1.04 -1.25 -0.81 0.00 0.00 175.30 174.12 3gaa s PRO 138 N 1.48 4.43 -0.15 5.12 0.04 -1.26 -4.98 135.00 139.68 3gaa s PRO 138 Ca 0.02 1.56 -0.06 0.00 0.04 0.00 0.00 61.00 62.56 3gaa s PRO 138 Cb -0.17 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 3gaa s PRO 138 CO 0.02 0.09 0.06 0.08 0.04 0.00 0.00 177.00 177.29 3gaa s VAL 139 N -1.47 4.81 0.18 -0.36 1.01 -1.26 -4.14 120.40 119.16 3gaa s VAL 139 Ca 0.51 -0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.56 3gaa s VAL 139 Cb -0.25 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3gaa s VAL 139 CO 0.31 0.52 -0.19 -0.36 0.00 0.00 0.00 175.10 175.38 3gaa s PHE 140 N -0.10 2.44 -0.05 5.22 0.08 0.26 -3.52 117.98 122.31 3gaa s PHE 140 Ca 0.07 -0.30 0.06 0.00 0.12 0.00 0.00 56.93 56.88 3gaa s PHE 140 Cb -0.12 -1.22 -0.01 0.00 -0.57 0.00 0.00 43.02 41.09 3gaa s PHE 140 CO 0.01 0.48 -0.24 0.00 -0.10 0.00 0.00 175.22 175.37 3gaa s ALA 141 N -1.57 2.23 -0.11 5.36 0.00 0.03 -0.05 121.76 127.64 3gaa s ALA 141 Ca 0.21 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 3gaa s ALA 141 Cb -0.09 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 3gaa s ALA 141 CO 0.11 0.45 -0.06 0.54 0.00 0.00 0.00 175.76 176.80 3gaa s VAL 142 N -0.28 3.73 0.00 0.00 0.11 -0.65 -0.95 120.40 122.35 3gaa s VAL 142 Ca 0.00 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 3gaa s VAL 142 Cb -0.13 -2.57 0.00 0.00 -1.53 0.00 0.00 36.38 32.15 3gaa s VAL 142 CO 0.03 0.55 0.00 0.00 -3.33 0.00 0.00 175.10 172.34 3gaa n ALA 143 N 2.88 0.00 -2.16 1.54 0.00 -1.26 -0.35 120.51 121.16 3gaa n ALA 143 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.00 3gaa n ALA 143 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.00 3gaa n ALA 143 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gaa s GLU 144 N -2.00 3.11 0.16 0.00 2.02 -1.26 -4.80 118.70 115.93 3gaa s GLU 144 Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 54.97 54.80 3gaa s GLU 144 Cb 0.00 -2.33 0.08 0.00 0.10 0.00 0.00 34.13 31.98 3gaa s GLU 144 CO 0.00 -0.52 1.64 0.87 0.02 0.00 0.00 175.26 177.28 3gaa h LYS 145 N -0.00 -0.12 0.56 1.61 1.57 -2.02 0.68 116.57 118.84 3gaa h LYS 145 Ca -0.46 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 3gaa h LYS 145 Cb 1.24 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 3gaa h LYS 145 CO 0.61 -0.08 -0.46 -1.00 -0.57 0.00 0.00 179.45 177.94 3gaa h PRO 146 N -0.13 -0.96 -0.79 3.15 0.13 -2.02 -1.79 132.00 129.60 3gaa h PRO 146 Ca 0.18 0.07 0.23 0.00 -0.87 0.00 0.00 66.00 65.60 3gaa h PRO 146 Cb 0.40 0.22 -0.03 0.00 0.13 0.00 0.00 31.00 31.72 3gaa h PRO 146 CO -0.44 -0.64 0.60 0.87 -0.23 0.00 0.00 178.00 178.16 3gaa h LYS 147 N -1.00 0.00 0.00 0.86 1.79 -1.80 -1.77 116.57 114.65 3gaa h LYS 147 Ca -0.07 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.29 3gaa h LYS 147 Cb 0.85 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.48 3gaa h LYS 147 CO -0.01 0.00 -0.53 -0.07 -1.08 0.00 0.00 179.45 177.76 3gaa h LEU 148 N 0.00 0.00 0.00 2.94 3.38 -0.00 -2.66 115.31 118.97 3gaa h LEU 148 Ca 0.37 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.24 3gaa h LEU 148 Cb 1.56 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.32 3gaa h LEU 148 CO -0.00 0.53 -0.41 0.44 0.09 0.00 0.00 178.44 179.09 3gaa h ASP 149 N 0.00 0.36 -0.95 -0.43 3.32 -1.01 -2.04 116.42 115.66 3gaa h ASP 149 Ca -0.01 -0.77 0.14 0.00 0.02 0.00 0.00 57.03 56.41 3gaa h ASP 149 Cb 0.94 -0.11 -0.08 0.00 0.22 0.00 0.00 39.33 40.30 3gaa h ASP 149 CO 0.07 1.08 0.60 0.11 -1.72 0.00 0.00 179.24 179.39 3gaa h LYS 150 N -0.34 0.81 0.00 3.56 1.57 -1.54 -0.59 116.57 120.05 3gaa h LYS 150 Ca -0.05 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 3gaa h LYS 150 Cb 1.15 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 3gaa h LYS 150 CO 0.08 0.54 -0.51 0.74 -0.57 0.00 0.00 179.45 179.73 3gaa h PHE 151 N 0.83 0.00 -0.17 -1.35 0.04 -1.40 -2.98 116.94 111.91 3gaa h PHE 151 Ca 0.48 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 61.04 3gaa h PHE 151 Cb 0.63 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.79 3gaa h PHE 151 CO -0.00 0.51 -0.72 -0.22 -0.60 0.00 0.00 178.31 177.28 3gaa h LYS 152 N 0.00 0.75 -0.25 1.51 3.64 -0.36 0.16 116.57 122.02 3gaa h LYS 152 Ca -0.01 -0.58 0.06 0.00 -1.27 0.00 0.00 60.65 58.86 3gaa h LYS 152 Cb 0.97 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.84 3gaa h LYS 152 CO 0.07 1.19 -0.20 0.87 -2.27 0.00 0.00 179.45 179.11 3gaa h LYS 153 N 0.53 -0.19 0.00 1.90 6.56 -1.45 0.70 116.57 124.61 3gaa h LYS 153 Ca -0.03 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 3gaa h LYS 153 Cb 1.34 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 33.04 3gaa h LYS 153 CO 0.15 -0.13 0.00 0.00 -2.06 0.00 0.00 179.45 177.41 3gaa n ALA 154 N -2.75 2.02 -0.49 3.86 0.00 -1.05 -4.84 120.51 117.27 3gaa n ALA 154 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3gaa n ALA 154 Cb 0.27 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.02 1.15 3.63 0.00 0.00 0.25 -5.01 105.19 105.18 3gaa n GLY 155 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.16 4.69 0.32 -0.61 1.01 0.49 -4.90 121.20 119.05 3gaa s ILE 156 Ca 0.00 1.47 -0.04 0.00 0.00 0.00 0.00 60.65 62.08 3gaa s ILE 156 Cb 0.00 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 3gaa s ILE 156 CO 0.00 -0.31 0.57 0.00 0.00 0.00 0.00 174.94 175.21 3gaa s GLN 157 N 3.20 3.59 0.37 2.79 -2.07 -1.23 -3.09 119.66 123.22 3gaa s GLN 157 Ca 0.38 -0.06 -0.28 0.00 -1.82 0.00 0.00 55.36 53.58 3gaa s GLN 157 Cb -0.14 -2.63 -0.11 0.00 -1.09 0.00 0.00 33.01 29.05 3gaa s GLN 157 CO 0.12 0.16 1.50 -2.14 -1.32 0.00 0.00 175.29 173.61 3gaa s PRO 158 N -3.83 4.11 0.47 9.60 0.02 -1.26 -0.79 135.00 143.31 3gaa s PRO 158 Ca 0.43 2.58 -0.23 0.00 0.02 0.00 0.00 61.00 63.80 3gaa s PRO 158 Cb -0.10 -2.97 -0.07 0.00 0.02 0.00 0.00 34.50 31.37 3gaa s PRO 158 CO 0.33 -0.54 1.23 0.00 -0.33 0.00 0.00 177.00 177.69 3gaa s ALA 159 N -1.04 3.00 -1.13 -1.55 0.00 -0.13 -4.69 121.76 116.21 3gaa s ALA 159 Ca 0.54 1.08 -0.12 0.00 0.00 0.00 0.00 51.96 53.46 3gaa s ALA 159 Cb -0.47 -3.44 0.22 0.00 0.00 0.00 0.00 23.12 19.43 3gaa s ALA 159 CO 0.62 -0.84 1.25 0.34 0.00 0.00 0.00 175.76 177.13 3gaa s ASP 160 N -1.14 7.14 -0.28 0.00 -1.08 -1.26 -4.95 116.67 115.10 3gaa s ASP 160 Ca 0.64 -3.18 -0.21 0.00 -0.52 0.00 0.00 52.55 49.28 3gaa s ASP 160 Cb -0.33 -2.31 0.09 0.00 -1.46 0.00 0.00 42.92 38.91 3gaa s ASP 160 CO 0.41 -0.56 0.79 -0.55 0.52 0.00 0.00 175.17 175.77 3gaa s SER 161 N 2.22 -0.74 0.10 -0.34 0.15 -1.26 -5.06 113.70 108.77 3gaa s SER 161 Ca 0.36 1.31 0.06 0.00 0.70 0.00 0.00 55.95 58.37 3gaa s SER 161 Cb -0.06 1.32 -0.22 0.00 -1.71 0.00 0.00 66.02 65.34 3gaa s SER 161 CO -0.04 -0.22 1.21 0.00 1.20 0.00 0.00 173.24 175.39 3gaa h ALA 162 N 5.67 0.34 -2.65 5.45 0.00 -2.06 -3.45 119.26 122.57 3gaa h ALA 162 Ca -0.29 -0.95 -0.32 0.00 0.00 0.00 0.00 54.91 53.35 3gaa h ALA 162 Cb 1.19 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.72 3gaa h ALA 162 CO 0.11 1.24 -0.73 0.96 0.00 0.00 0.00 179.25 180.83 3gaa s ILE 163 N -2.69 0.98 -0.18 0.00 -4.36 -1.26 -5.13 121.20 108.55 3gaa s ILE 163 Ca -0.00 -1.71 0.01 0.00 -0.26 0.00 0.00 60.65 58.68 3gaa s ILE 163 Cb 0.09 -1.45 0.03 0.00 1.25 0.00 0.00 42.46 42.39 3gaa s ILE 163 CO 0.83 -0.59 -0.13 -0.63 0.24 0.00 0.00 174.94 174.66 3gaa s ILE 164 N -2.60 1.67 0.00 8.37 -1.09 -1.26 -5.11 121.20 121.18 3gaa s ILE 164 Ca 0.07 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 57.61 3gaa s ILE 164 Cb -0.02 -1.66 0.00 0.00 -1.58 0.00 0.00 42.46 39.20 3gaa s ILE 164 CO 0.00 0.30 0.00 0.00 -1.23 0.00 0.00 174.94 174.01 3gaa n ALA 165 N 4.70 0.00 -0.69 9.38 0.00 -1.26 -4.00 120.51 128.65 3gaa n ALA 165 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3gaa n ALA 165 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.70 0.20 0.00 0.00 -1.26 -1.60 105.19 106.83 3gaa n GLY 166 Ca 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 46.02 44.98 3gaa n GLY 166 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3gaa h MET 167 N 0.00 0.04 -0.58 1.61 2.86 -1.95 -2.65 114.93 114.27 3gaa h MET 167 Ca 0.00 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.72 3gaa h MET 167 Cb 0.00 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.58 3gaa h MET 167 CO 0.00 0.33 0.18 0.78 1.06 0.00 0.00 176.91 179.26 3gaa h GLY 168 N 0.91 0.78 0.93 8.32 0.00 -1.94 -0.42 103.07 111.64 3gaa h GLY 168 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3gaa h GLY 168 CO 0.04 -0.05 0.11 -1.33 0.00 0.00 0.00 176.54 175.31 3gaa h GLY 169 N 0.33 0.35 0.26 4.60 0.00 -0.93 -0.93 103.07 106.75 3gaa h GLY 169 Ca 0.29 -0.17 0.12 0.00 0.00 0.00 0.00 47.33 47.57 3gaa h GLY 169 CO -0.33 0.16 0.25 -1.33 0.00 0.00 0.00 176.54 175.29 3gaa h GLY 170 N 0.24 0.98 0.47 4.60 0.00 -1.20 -0.16 103.07 108.00 3gaa h GLY 170 Ca 0.08 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 3gaa h GLY 170 CO -0.01 -0.06 -0.30 -2.22 0.00 0.00 0.00 176.54 173.95 3gaa h ILE 171 N 0.42 1.55 -0.38 2.60 2.04 -0.85 -1.76 117.51 121.12 3gaa h ILE 171 Ca 0.36 -2.00 0.07 0.00 1.00 0.00 0.00 64.86 64.28 3gaa h ILE 171 Cb 0.49 2.80 -0.06 0.00 -0.74 0.00 0.00 36.82 39.31 3gaa h ILE 171 CO -0.36 0.55 -0.01 -0.07 0.00 0.00 0.00 178.15 178.26 3gaa h LEU 172 N -0.48 -0.18 -0.08 1.44 4.07 -1.04 0.36 115.31 119.40 3gaa h LEU 172 Ca -0.04 0.09 0.04 0.00 0.08 0.00 0.00 57.88 58.05 3gaa h LEU 172 Cb 1.06 0.16 -0.05 0.00 1.08 0.00 0.00 40.66 42.92 3gaa h LEU 172 CO 0.06 -0.05 -0.19 0.78 -1.08 0.00 0.00 178.44 177.95 3gaa h ASN 173 N 0.09 -0.59 -0.73 -0.43 2.35 -0.95 0.98 115.58 116.30 3gaa h ASN 173 Ca 0.19 0.10 0.16 0.00 -0.55 0.00 0.00 56.30 56.20 3gaa h ASN 173 Cb 0.26 0.26 -0.12 0.00 0.05 0.00 0.00 38.32 38.77 3gaa h ASN 173 CO -0.32 -0.25 0.07 -0.33 -1.65 0.00 0.00 177.43 174.95 3gaa h GLU 174 N -0.27 0.16 -0.51 0.81 4.39 -0.71 -1.45 114.58 116.99 3gaa h GLU 174 Ca 0.08 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3gaa h GLU 174 Cb 0.39 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 3gaa h GLU 174 CO -0.24 0.10 0.33 0.00 -1.16 0.00 0.00 179.01 178.04 3gaa h LEU 176 N 0.69 -0.40 -0.51 0.00 4.07 0.06 0.94 115.31 120.17 3gaa h LEU 176 Ca 0.19 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 58.13 3gaa h LEU 176 Cb -0.05 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 3gaa h LEU 176 CO -0.04 -0.25 0.14 0.58 -1.08 0.00 0.00 178.44 177.79 3gaa h VAL 177 N -0.38 1.24 0.00 1.22 2.07 -1.17 -2.40 116.25 116.82 3gaa h VAL 177 Ca -0.02 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3gaa h VAL 177 Cb 0.33 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3gaa h VAL 177 CO 0.01 0.30 0.00 0.54 0.02 0.00 0.00 177.57 178.43 3gaa n ARG 178 N -4.46 0.11 -3.00 1.57 1.74 -0.68 -4.93 116.66 107.01 3gaa n ARG 178 Ca 0.02 0.31 -0.19 0.00 -0.77 0.00 0.00 57.85 57.22 3gaa n ARG 178 Cb 0.21 -1.69 0.04 0.00 -1.02 0.00 0.00 32.46 30.00 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 -1.90 -4.63 -3.75 5.56 5.02 0.28 -5.03 118.16 113.72 3gaa n LYS 179 Ca 0.03 0.76 -0.33 0.00 -2.02 0.00 0.00 58.31 56.75 3gaa n LYS 179 Cb 0.23 -5.33 -0.05 0.00 -0.02 0.00 0.00 35.03 29.86 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 -3.12 5.26 -0.19 -0.18 1.01 -0.95 -5.05 121.20 117.99 3gaa s ILE 180 Ca 0.30 0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.68 3gaa s ILE 180 Cb -0.13 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 3gaa s ILE 180 CO 0.37 0.20 1.34 -0.89 0.00 0.00 0.00 174.94 175.96 3gaa s THR 181 N -1.48 4.13 -0.04 2.92 2.01 -1.23 -4.47 115.64 117.50 3gaa s THR 181 Ca 0.34 1.35 0.04 0.00 0.31 0.00 0.00 61.69 63.73 3gaa s THR 181 Cb -0.13 -3.96 -0.00 0.00 0.01 0.00 0.00 72.50 68.42 3gaa s THR 181 CO 0.22 -0.22 -0.16 -0.83 -0.69 0.00 0.00 174.62 172.93 3gaa s GLY 182 N 2.48 0.88 0.31 4.40 0.00 -1.26 -1.27 107.32 112.86 3gaa s GLY 182 Ca 0.58 -0.66 -0.07 0.00 0.00 0.00 0.00 44.72 44.57 3gaa s GLY 182 CO 0.19 -0.35 0.48 0.48 0.00 0.00 0.00 173.10 173.90 3gaa s LEU 183 N 0.02 0.72 0.00 0.66 -0.00 -0.38 -4.66 118.68 115.04 3gaa s LEU 183 Ca -0.03 -1.28 0.01 0.00 -0.00 0.00 0.00 54.13 52.83 3gaa s LEU 183 Cb -0.11 1.62 -0.00 0.00 -0.00 0.00 0.00 46.19 47.70 3gaa s LEU 183 CO 0.02 -1.26 -0.04 -0.55 -0.00 0.00 0.00 176.35 174.52 3gaa s SER 184 N -3.15 0.45 -0.17 1.48 0.15 0.53 -1.00 113.70 111.99 3gaa s SER 184 Ca 0.27 -0.11 -0.07 0.00 0.70 0.00 0.00 55.95 56.74 3gaa s SER 184 Cb -0.00 -0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.23 3gaa s SER 184 CO 0.16 0.02 0.06 -0.36 1.20 0.00 0.00 173.24 174.31 3gaa s PHE 185 N -0.21 3.26 0.03 3.44 0.08 -0.35 -1.63 117.98 122.60 3gaa s PHE 185 Ca 0.00 0.10 0.08 0.00 0.12 0.00 0.00 56.93 57.23 3gaa s PHE 185 Cb -0.02 -2.04 -0.02 0.00 -0.57 0.00 0.00 43.02 40.36 3gaa s PHE 185 CO -0.00 0.22 -0.23 0.42 -0.10 0.00 0.00 175.22 175.53 3gaa s ILE 186 N 0.16 1.85 -0.01 0.64 1.09 0.92 -1.38 121.20 124.46 3gaa s ILE 186 Ca 0.04 -1.19 0.01 0.00 -1.10 0.00 0.00 60.65 58.41 3gaa s ILE 186 Cb -0.12 -1.57 0.01 0.00 -1.06 0.00 0.00 42.46 39.71 3gaa s ILE 186 CO 0.01 0.34 -0.02 0.28 -0.10 0.00 0.00 174.94 175.45 3gaa s THR 187 N -0.72 0.22 0.39 2.92 -1.32 -0.97 0.93 115.64 117.09 3gaa s THR 187 Ca 0.09 -0.04 -0.27 0.00 -1.21 0.00 0.00 61.69 60.26 3gaa s THR 187 Cb -0.09 -0.24 -0.10 0.00 -1.51 0.00 0.00 72.50 70.56 3gaa s THR 187 CO 0.01 0.10 1.44 -2.16 -2.21 0.00 0.00 174.62 171.81 3gaa s PRO 188 N 0.41 4.02 -0.01 7.08 0.05 -1.26 -1.64 135.00 143.65 3gaa s PRO 188 Ca -0.04 2.48 -0.04 0.00 0.05 0.00 0.00 61.00 63.45 3gaa s PRO 188 Cb -0.07 -2.89 0.00 0.00 0.05 0.00 0.00 34.50 31.59 3gaa s PRO 188 CO -0.01 -0.57 0.08 -0.08 0.05 0.00 0.00 177.00 176.48 3gaa s THR 189 N -1.15 0.04 -0.10 1.26 -1.32 -0.35 -4.78 115.64 109.24 3gaa s THR 189 Ca 0.55 -0.37 -0.25 0.00 -1.21 0.00 0.00 61.69 60.41 3gaa s THR 189 Cb -0.45 -0.24 -0.03 0.00 -1.51 0.00 0.00 72.50 70.27 3gaa s THR 189 CO 0.60 -0.20 0.79 -0.55 -2.21 0.00 0.00 174.62 173.04 3gaa s SER 190 N -0.64 7.02 -0.03 8.08 0.15 -1.26 -1.68 113.70 125.34 3gaa s SER 190 Ca -0.07 1.24 -0.25 0.00 0.70 0.00 0.00 55.95 57.57 3gaa s SER 190 Cb -0.04 -2.45 -0.21 0.00 -1.71 0.00 0.00 66.02 61.61 3gaa s SER 190 CO 0.00 -0.25 1.17 0.58 1.20 0.00 0.00 173.24 175.95 3gaa h VAL 191 N 4.94 1.46 -0.46 4.45 2.07 -1.97 -3.37 116.25 123.36 3gaa h VAL 191 Ca -0.36 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 65.70 3gaa h VAL 191 Cb 1.17 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 3gaa h VAL 191 CO 0.78 0.39 0.00 0.47 0.02 0.00 0.00 177.57 179.23 3gaa n ASP 192 N -4.73 3.41 -4.27 0.57 9.92 -1.26 -4.77 116.55 115.42 3gaa n ASP 192 Ca -0.09 -1.98 -0.26 0.00 -0.53 0.00 0.00 54.79 51.94 3gaa n ASP 192 Cb 0.33 -0.30 -0.14 0.00 -0.64 0.00 0.00 41.12 40.37 3gaa n ASP 192 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3gaa s ILE 193 N -1.39 1.72 0.23 0.53 2.07 -1.26 -5.12 121.20 117.99 3gaa s ILE 193 Ca 0.41 -1.30 -0.30 0.00 -1.41 0.00 0.00 60.65 58.05 3gaa s ILE 193 Cb 0.23 -1.51 -0.15 0.00 0.13 0.00 0.00 42.46 41.16 3gaa s ILE 193 CO 0.31 0.16 0.99 -2.65 -1.91 0.00 0.00 174.94 171.84 3gaa n PRO 194 N 1.66 1.07 -3.18 3.50 -0.02 -1.26 -4.81 135.00 131.95 3gaa n PRO 194 Ca -0.18 0.38 -0.20 0.00 -2.02 0.00 0.00 63.50 61.48 3gaa n PRO 194 Cb 0.53 -1.73 -0.04 0.00 -0.02 0.00 0.00 33.50 32.24 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 1.60 0.82 -0.26 2.55 2.03 -1.26 -4.96 116.55 117.07 3gaa n ASP 195 Ca 0.13 -2.96 0.20 0.00 0.52 0.00 0.00 54.79 52.68 3gaa n ASP 195 Cb 0.28 -0.62 0.52 0.00 -0.72 0.00 0.00 41.12 40.58 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 3.26 0.38 -0.70 -0.67 0.11 -1.92 -1.85 132.00 130.60 3gaa h PRO 196 Ca 0.09 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 66.33 3gaa h PRO 196 Cb 0.93 -0.09 -0.11 0.00 0.11 0.00 0.00 31.00 31.84 3gaa h PRO 196 CO 0.50 0.25 0.13 0.78 -0.21 0.00 0.00 178.00 179.45 3gaa h GLY 197 N 0.39 0.92 -0.28 -0.55 0.00 -1.96 -0.79 103.07 100.80 3gaa h GLY 197 Ca 0.50 -0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.93 3gaa h GLY 197 CO -0.20 -0.20 -0.28 0.00 0.00 0.00 0.00 176.54 175.87 3gaa h ALA 198 N 1.60 0.05 -0.59 3.60 0.00 -1.64 -1.03 119.26 121.25 3gaa h ALA 198 Ca 0.39 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 3gaa h ALA 198 Cb 0.66 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 3gaa h ALA 198 CO -0.52 -0.62 0.31 0.28 0.00 0.00 0.00 179.25 178.71 3gaa h VAL 199 N -0.14 1.18 -0.37 0.00 2.07 -1.30 -2.88 116.25 114.81 3gaa h VAL 199 Ca 0.23 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 3gaa h VAL 199 Cb 0.52 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3gaa h VAL 199 CO -0.62 0.21 -0.01 0.25 0.02 0.00 0.00 177.57 177.41 3gaa h LEU 200 N 0.82 0.66 -0.36 2.57 5.85 -0.43 -1.21 115.31 123.21 3gaa h LEU 200 Ca 0.21 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.69 3gaa h LEU 200 Cb 0.04 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 3gaa h LEU 200 CO -0.03 0.82 -0.11 0.28 -0.34 0.00 0.00 178.44 179.05 3gaa h SER 201 N 0.48 -0.41 -0.13 1.25 0.02 -1.12 0.21 113.55 113.85 3gaa h SER 201 Ca 0.10 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3gaa h SER 201 Cb 0.49 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 3gaa h SER 201 CO 0.02 -0.15 0.06 0.40 -1.14 0.00 0.00 176.83 176.03 3gaa h ILE 202 N -0.03 1.11 -0.55 3.27 5.03 -1.38 -0.97 117.51 123.99 3gaa h ILE 202 Ca 0.18 -0.33 -0.06 0.00 -0.12 0.00 0.00 64.86 64.53 3gaa h ILE 202 Cb 0.30 1.09 -0.02 0.00 -3.03 0.00 0.00 36.82 35.16 3gaa h ILE 202 CO -0.39 0.10 0.10 0.40 -0.68 0.00 0.00 178.15 177.68 3gaa h ILE 203 N 0.09 1.24 0.35 -0.67 1.08 -0.47 0.14 117.51 119.28 3gaa h ILE 203 Ca 0.05 -0.90 -0.00 0.00 -0.39 0.00 0.00 64.86 63.61 3gaa h ILE 203 Cb 0.11 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 3gaa h ILE 203 CO -0.01 0.33 -0.42 -0.33 -0.69 0.00 0.00 178.15 177.04 3gaa h GLU 204 N 0.83 -0.78 -0.59 2.37 5.08 -0.42 0.39 114.58 121.46 3gaa h GLU 204 Ca 0.17 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.69 3gaa h GLU 204 Cb 0.36 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 29.71 3gaa h GLU 204 CO 0.01 -0.52 0.17 0.00 -1.00 0.00 0.00 179.01 177.67 3gaa h ALA 205 N -0.45 0.73 0.06 3.43 0.00 -0.05 0.51 119.26 123.48 3gaa h ALA 205 Ca -0.03 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gaa h ALA 205 Cb 0.74 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3gaa h ALA 205 CO -0.10 -0.25 -0.03 0.82 0.00 0.00 0.00 179.25 179.68 3gaa h ILE 206 N 0.32 1.04 -0.64 0.00 2.04 -0.62 -0.26 117.51 119.39 3gaa h ILE 206 Ca 0.30 -0.33 0.12 0.00 1.00 0.00 0.00 64.86 65.95 3gaa h ILE 206 Cb 0.41 1.25 -0.09 0.00 -0.74 0.00 0.00 36.82 37.66 3gaa h ILE 206 CO -0.35 0.08 0.16 0.78 0.00 0.00 0.00 178.15 178.83 3gaa h ASN 207 N -0.23 0.05 0.18 1.72 2.35 0.12 0.23 115.58 120.00 3gaa h ASN 207 Ca -0.01 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3gaa h ASN 207 Cb 0.20 0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3gaa h ASN 207 CO 0.01 0.02 -0.09 0.50 -1.65 0.00 0.00 177.43 176.23 3gaa h LYS 208 N 0.29 -0.24 -0.24 0.81 3.64 -0.90 0.27 116.57 120.21 3gaa h LYS 208 Ca 0.34 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.81 3gaa h LYS 208 Cb 0.52 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3gaa h LYS 208 CO -0.41 -0.16 0.19 0.00 -2.27 0.00 0.00 179.45 176.80 3gaa h ALA 209 N -1.80 2.12 -0.00 5.00 0.00 -0.70 -2.44 119.26 121.43 3gaa h ALA 209 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gaa h ALA 209 Cb 0.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gaa h ALA 209 CO 0.04 -0.31 -0.02 0.66 0.00 0.00 0.00 179.25 179.62 3gaa n TYR 210 N -4.28 0.00 -1.91 0.00 4.01 0.80 -5.01 117.16 110.77 3gaa n TYR 210 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.64 3gaa n TYR 210 Cb 0.33 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.34 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 -0.41 -4.19 -2.55 7.72 4.05 0.94 -4.99 115.26 115.83 3gaa n ASN 211 Ca 0.00 0.11 -0.08 0.00 0.45 0.00 0.00 54.58 55.07 3gaa n ASN 211 Cb 0.02 -3.16 0.06 0.00 1.23 0.00 0.00 39.78 37.92 3gaa n ASN 211 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3gaa n LEU 212 N -1.67 0.00 -3.32 1.20 4.77 -1.20 -5.03 117.00 111.74 3gaa n LEU 212 Ca -0.14 -0.37 -0.26 0.00 -0.03 0.00 0.00 56.01 55.21 3gaa n LEU 212 Cb 0.54 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.28 3gaa n LEU 212 CO 0.18 -0.85 -0.27 0.29 -1.33 0.00 0.00 177.39 175.41 3gaa n LYS 213 N -1.86 0.66 -3.00 3.23 4.01 -1.26 -4.85 118.16 115.09 3gaa n LYS 213 Ca 0.04 -3.35 -0.41 0.00 -0.51 0.00 0.00 58.31 54.08 3gaa n LYS 213 Cb 0.15 -1.52 -0.05 0.00 -0.51 0.00 0.00 35.03 33.10 3gaa n LYS 213 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3gaa s ILE 214 N -0.76 4.90 0.40 -0.18 1.01 -1.26 -4.94 121.20 120.36 3gaa s ILE 214 Ca 0.34 1.33 0.12 0.00 0.00 0.00 0.00 60.65 62.44 3gaa s ILE 214 Cb 0.10 -4.04 0.14 0.00 0.01 0.00 0.00 42.46 38.68 3gaa s ILE 214 CO -0.14 -0.05 1.90 0.11 0.00 0.00 0.00 174.94 176.76 3gaa h LYS 215 N 7.82 0.07 0.00 2.79 1.57 -1.98 -3.47 116.57 123.39 3gaa h LYS 215 Ca -0.25 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3gaa h LYS 215 Cb 1.11 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3gaa h LYS 215 CO 0.83 0.32 0.00 0.25 -0.57 0.00 0.00 179.45 180.28 3gaa n THR 216 N -4.22 0.00 -2.80 -0.16 -2.24 -1.26 -4.93 114.28 98.67 3gaa n THR 216 Ca -0.02 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 3gaa n THR 216 Cb 0.32 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.99 7.13 -1.09 3.42 1.01 -1.26 -3.56 116.67 120.33 3gaa s ASP 217 Ca 0.00 1.39 -0.04 0.00 0.71 0.00 0.00 52.55 54.60 3gaa s ASP 217 Cb 0.00 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.43 3gaa s ASP 217 CO 0.00 -0.37 0.56 0.18 0.21 0.00 0.00 175.17 175.76 3gaa n LEU 218 N 4.80 -2.56 -0.02 1.23 7.99 -1.26 -4.90 117.00 122.28 3gaa n LEU 218 Ca 0.06 -0.26 -0.16 0.00 -0.01 0.00 0.00 56.01 55.64 3gaa n LEU 218 Cb 0.49 -2.32 -0.12 0.00 -0.11 0.00 0.00 43.42 41.37 3gaa n LEU 218 CO 0.50 0.26 0.32 0.25 -1.51 0.00 0.00 177.39 177.21 3gaa h LEU 219 N -1.29 0.28 -1.01 2.23 6.46 -1.97 -3.22 115.31 116.78 3gaa h LEU 219 Ca -0.39 -0.83 0.36 0.00 -0.12 0.00 0.00 57.88 56.90 3gaa h LEU 219 Cb 1.27 -0.09 -0.16 0.00 -0.73 0.00 0.00 40.66 40.95 3gaa h LEU 219 CO 0.41 1.07 0.57 -0.33 -0.62 0.00 0.00 178.44 179.54 3gaa h GLU 220 N -0.48 0.18 0.03 1.25 3.07 -1.90 0.48 114.58 117.21 3gaa h GLU 220 Ca -0.05 -0.01 -0.38 0.00 -0.50 0.00 0.00 59.36 58.42 3gaa h GLU 220 Cb 1.15 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.96 3gaa h GLU 220 CO 0.07 0.12 -2.31 -0.85 -1.40 0.00 0.00 179.01 174.64 3gaa n GLU 221 N -5.12 0.68 -0.03 2.33 0.00 -1.25 -1.64 120.64 115.60 3gaa n GLU 221 Ca 0.34 0.17 -0.09 0.00 0.00 0.00 0.00 57.16 57.58 3gaa n GLU 221 Cb 1.12 -1.58 -0.03 0.00 0.00 0.00 0.00 31.44 30.95 3gaa n GLU 221 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 3gaa h GLN 222 N 0.02 -0.29 -0.14 3.44 4.20 -1.50 0.16 115.11 121.01 3gaa h GLN 222 Ca -0.52 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.22 3gaa h GLN 222 Cb 1.98 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.81 3gaa h GLN 222 CO -0.02 -0.19 0.04 0.28 -0.67 0.00 0.00 178.83 178.27 3gaa h VAL 223 N -0.30 0.96 -0.82 -0.54 2.07 -0.16 -0.41 116.25 117.06 3gaa h VAL 223 Ca 0.12 -0.04 0.12 0.00 0.82 0.00 0.00 66.70 67.73 3gaa h VAL 223 Cb 0.49 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 3gaa h VAL 223 CO -0.38 0.02 0.44 0.11 0.02 0.00 0.00 177.57 177.77 3gaa h LYS 224 N 0.11 0.66 0.45 1.57 1.57 -0.99 -0.69 116.57 119.24 3gaa h LYS 224 Ca 0.06 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3gaa h LYS 224 Cb 0.04 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3gaa h LYS 224 CO -0.06 0.44 -0.21 0.00 -0.57 0.00 0.00 179.45 179.04 3gaa h ALA 225 N 1.50 -0.60 -0.94 3.86 0.00 0.45 -1.74 119.26 121.79 3gaa h ALA 225 Ca 0.42 -0.16 0.23 0.00 0.00 0.00 0.00 54.91 55.41 3gaa h ALA 225 Cb 0.51 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 3gaa h ALA 225 CO -0.31 -0.79 0.63 -0.07 0.00 0.00 0.00 179.25 178.71 3gaa h LEU 226 N -0.70 0.36 -0.09 0.00 3.38 -0.73 -2.82 115.31 114.71 3gaa h LEU 226 Ca -0.06 0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 3gaa h LEU 226 Cb 0.51 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3gaa h LEU 226 CO 0.10 0.12 -1.03 -0.78 0.09 0.00 0.00 178.44 176.94 3gaa h ASP 227 N 0.34 0.48 -0.40 -0.43 1.82 -0.24 0.17 116.42 118.16 3gaa h ASP 227 Ca 0.50 -0.42 0.07 0.00 -0.39 0.00 0.00 57.03 56.79 3gaa h ASP 227 Cb 1.35 -0.15 -0.09 0.00 0.68 0.00 0.00 39.33 41.12 3gaa h ASP 227 CO -0.18 1.25 -0.40 -0.33 -1.61 0.00 0.00 179.24 177.97 3gaa h GLU 228 N 0.17 -0.30 -0.09 0.28 4.39 -1.20 -1.79 114.58 116.04 3gaa h GLU 228 Ca -0.09 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 3gaa h GLU 228 Cb 1.69 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 30.41 3gaa h GLU 228 CO 0.17 -0.20 0.05 1.96 -1.16 0.00 0.00 179.01 179.84 3gaa h GLN 229 N -0.31 0.12 -0.21 2.33 4.20 -1.41 -0.09 115.11 119.74 3gaa h GLN 229 Ca 0.15 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.88 3gaa h GLN 229 Cb 0.58 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3gaa h GLN 229 CO -0.56 0.11 0.14 0.82 -0.67 0.00 0.00 178.83 178.67 3gaa h ILE 230 N 0.09 0.98 0.17 2.54 5.03 -0.64 -2.67 117.51 123.01 3gaa h ILE 230 Ca 0.03 -0.05 -0.30 0.00 -0.12 0.00 0.00 64.86 64.42 3gaa h ILE 230 Cb 0.03 0.81 0.02 0.00 -3.03 0.00 0.00 36.82 34.65 3gaa h ILE 230 CO -0.01 0.03 -1.33 0.50 -0.68 0.00 0.00 178.15 176.67 3gaa h LYS 231 N 0.15 0.45 0.00 2.37 3.64 -0.27 -1.80 116.57 121.12 3gaa h LYS 231 Ca 0.09 -0.72 0.00 0.00 -1.27 0.00 0.00 60.65 58.75 3gaa h LYS 231 Cb 0.18 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3gaa h LYS 231 CO -0.01 1.33 0.21 0.87 -2.27 0.00 0.00 179.45 179.58 3gaa h LYS 232 N 0.15 0.00 0.00 1.90 1.57 -0.72 -0.27 116.57 119.20 3gaa h LYS 232 Ca -0.19 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.30 3gaa h LYS 232 Cb 2.02 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.28 3gaa h LYS 232 CO 0.24 0.00 -2.09 -0.89 -0.57 0.00 0.00 179.45 176.14 3gaa n ILE 233 N -2.85 1.10 -0.32 1.86 5.41 -1.15 -2.17 119.36 121.24 3gaa n ILE 233 Ca -0.02 -0.49 0.13 0.00 1.00 0.00 0.00 62.75 63.38 3gaa n ILE 233 Cb 0.26 -1.03 0.28 0.00 -0.71 0.00 0.00 39.64 38.44 3gaa n ILE 233 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3gaa h GLU 234 N 0.00 0.07 0.22 0.38 5.08 -0.76 -2.22 114.58 117.35 3gaa h GLU 234 Ca -0.43 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 3gaa h GLU 234 Cb 1.75 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.98 3gaa h GLU 234 CO -0.04 0.05 -0.11 0.93 -1.00 0.00 0.00 179.01 178.83 3gaa h GLU 235 N 0.07 -0.29 -0.28 2.33 5.08 -1.17 -2.51 114.58 117.82 3gaa h GLU 235 Ca 0.57 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 59.00 3gaa h GLU 235 Cb 1.17 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3gaa h GLU 235 CO -0.81 -0.01 0.19 1.96 -1.00 0.00 0.00 179.01 179.34 3gaa h GLN 236 N -1.00 0.12 -0.01 2.33 4.20 -1.34 0.63 115.11 120.03 3gaa h GLN 236 Ca -0.03 -0.01 -0.25 0.00 0.06 0.00 0.00 58.65 58.42 3gaa h GLN 236 Cb 0.41 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.18 3gaa h GLN 236 CO 0.05 0.08 -0.98 -0.92 -0.67 0.00 0.00 178.83 176.39 3gaa h TYR 237 N 0.13 0.89 -0.25 2.96 3.20 -1.52 -2.13 116.97 120.25 3gaa h TYR 237 Ca 0.12 -0.48 0.02 0.00 3.14 0.00 0.00 58.73 61.54 3gaa h TYR 237 Cb 0.33 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3gaa h TYR 237 CO -0.00 1.30 0.12 0.87 -1.64 0.00 0.00 178.16 178.81 3gaa h LYS 238 N 0.35 0.24 0.14 1.82 1.57 -0.43 -1.81 116.57 118.45 3gaa h LYS 238 Ca -0.10 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3gaa h LYS 238 Cb 1.63 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.87 3gaa h LYS 238 CO 0.19 0.16 -0.18 0.93 -0.57 0.00 0.00 179.45 179.98 3gaa h GLU 239 N 0.25 -0.32 -0.92 3.15 5.08 -1.41 -3.10 114.58 117.31 3gaa h GLU 239 Ca 0.10 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.60 3gaa h GLU 239 Cb 0.04 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 29.23 3gaa h GLU 239 CO -0.08 -0.21 -0.45 -0.11 -1.00 0.00 0.00 179.01 177.16 3gaa n LEU 240 N -3.41 -0.79 -0.29 1.33 7.94 -0.80 -0.32 117.00 120.66 3gaa n LEU 240 Ca -0.04 1.62 0.29 0.00 -1.11 0.00 0.00 56.01 56.77 3gaa n LEU 240 Cb 0.16 -0.29 0.65 0.00 0.53 0.00 0.00 43.42 44.46 3gaa n LEU 240 CO 0.08 -1.39 1.27 -0.61 -1.11 0.00 0.00 177.39 175.63 3gaa h GLN 241 N 0.00 0.16 0.00 1.96 4.15 -1.29 0.33 115.11 120.41 3gaa h GLN 241 Ca 0.23 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.56 3gaa h GLN 241 Cb 0.46 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 3gaa h GLN 241 CO -0.89 0.10 -0.44 1.49 -1.93 0.00 0.00 178.83 177.16 3gaa h GLU 242 N 0.16 0.00 -1.05 1.69 4.57 -0.60 -3.29 114.58 116.07 3gaa h GLU 242 Ca 0.54 0.00 0.29 0.00 -1.18 0.00 0.00 59.36 59.01 3gaa h GLU 242 Cb 1.82 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 30.35 3gaa h GLU 242 CO -0.12 0.97 0.73 0.87 -1.18 0.00 0.00 179.01 180.28 3gaa h LYS 243 N -1.00 0.13 -0.28 1.92 6.56 -0.20 -1.91 116.57 121.79 3gaa h LYS 243 Ca -0.12 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 3gaa h LYS 243 Cb 1.08 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 3gaa h LYS 243 CO -0.07 0.08 0.00 1.04 -2.06 0.00 0.00 179.45 178.44 3gaa n GLN 244 N -4.34 0.35 -3.51 3.15 6.02 0.10 -3.60 117.38 115.55 3gaa n GLN 244 Ca 0.23 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.92 3gaa n GLN 244 Cb 1.03 -1.14 -0.08 0.00 1.02 0.00 0.00 30.24 31.07 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 0.17 2.61 0.00 -1.09 5.02 -0.72 -5.05 118.16 119.10 3gaa n LYS 245 Ca 0.00 -4.60 0.00 0.00 -2.02 0.00 0.00 58.31 51.69 3gaa n LYS 245 Cb 0.07 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 32.77 3gaa n LYS 245 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97