#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa3 s MET 3 N 0.00 4.31 0.27 0.54 -1.94 -1.26 -5.07 119.30 116.15 3fa3 s MET 3 Ca 0.00 1.34 0.11 0.00 -1.71 0.00 0.00 55.69 55.42 3fa3 s MET 3 Cb 0.00 -2.51 -0.05 0.00 2.01 0.00 0.00 34.83 34.28 3fa3 s MET 3 CO 0.00 0.02 -0.10 0.08 -0.01 0.00 0.00 175.02 175.01 3fa3 s VAL 4 N -1.80 3.00 0.07 -6.03 1.01 -1.26 -5.16 120.40 110.24 3fa3 s VAL 4 Ca 0.57 -2.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.37 3fa3 s VAL 4 Cb -0.17 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 3fa3 s VAL 4 CO 0.22 -0.38 0.06 0.28 0.00 0.00 0.00 175.10 175.28 3fa3 s THR 5 N -2.39 0.19 -1.30 3.92 -1.32 -1.26 -5.04 115.64 108.43 3fa3 s THR 5 Ca 0.31 -1.55 0.28 0.00 -1.21 0.00 0.00 61.69 59.51 3fa3 s THR 5 Cb -0.06 -1.46 0.26 0.00 -1.51 0.00 0.00 72.50 69.74 3fa3 s THR 5 CO 0.18 -0.84 1.73 0.00 -2.21 0.00 0.00 174.62 173.47 3fa3 n ALA 6 N 0.03 2.89 -0.33 11.08 0.00 -1.26 -3.18 120.51 129.74 3fa3 n ALA 6 Ca -0.14 -0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.10 3fa3 n ALA 6 Cb 0.62 -1.30 0.15 0.00 0.00 0.00 0.00 19.45 18.92 3fa3 n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 h ALA 7 N 3.28 0.69 0.00 0.00 0.00 -1.79 -1.83 119.26 119.61 3fa3 h ALA 7 Ca 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 54.91 55.18 3fa3 h ALA 7 Cb 0.44 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3fa3 h ALA 7 CO 0.00 -0.41 -0.44 1.79 0.00 0.00 0.00 179.25 180.19 3fa3 h THR 8 N 0.00 1.31 -0.10 0.00 1.35 -1.78 0.12 112.91 113.82 3fa3 h THR 8 Ca 0.47 -1.50 -0.09 0.00 -0.55 0.00 0.00 66.41 64.74 3fa3 h THR 8 Cb 0.75 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 3fa3 h THR 8 CO -0.95 0.43 -0.27 0.28 -0.25 0.00 0.00 175.52 174.75 3fa3 h SER 9 N 0.00 0.41 -0.38 5.36 0.02 -1.55 0.11 113.55 117.51 3fa3 h SER 9 Ca -0.00 -0.59 -0.13 0.00 -0.84 0.00 0.00 61.79 60.22 3fa3 h SER 9 Cb 0.77 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 3fa3 h SER 9 CO 0.06 0.93 -0.26 0.25 -1.14 0.00 0.00 176.83 176.67 3fa3 h LEU 10 N -0.09 0.93 -0.29 5.07 5.85 -1.18 0.76 115.31 126.36 3fa3 h LEU 10 Ca -0.01 -0.36 -0.18 0.00 0.84 0.00 0.00 57.88 58.17 3fa3 h LEU 10 Cb 0.88 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3fa3 h LEU 10 CO 0.06 1.13 -0.53 -0.09 -0.34 0.00 0.00 178.44 178.66 3fa3 h ARG 11 N 0.77 0.88 -0.64 1.25 2.43 -0.76 0.54 114.38 118.84 3fa3 h ARG 11 Ca 0.09 -0.55 0.02 0.00 -0.81 0.00 0.00 59.98 58.73 3fa3 h ARG 11 Cb 0.81 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 3fa3 h ARG 11 CO 0.07 1.19 0.41 0.00 -1.51 0.00 0.00 179.97 180.13 3fa3 h ARG 12 N 0.66 0.79 -0.28 0.20 3.08 -0.45 -3.15 114.38 115.24 3fa3 h ARG 12 Ca 0.02 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.85 3fa3 h ARG 12 Cb 1.14 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 3fa3 h ARG 12 CO 0.12 0.53 -0.49 0.00 -1.07 0.00 0.00 179.97 179.05 3fa3 h ALA 13 N 1.25 0.60 0.00 0.04 0.00 0.12 -1.37 119.26 119.91 3fa3 h ALA 13 Ca 0.24 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3fa3 h ALA 13 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3fa3 h ALA 13 CO -0.08 0.68 0.46 -0.07 0.00 0.00 0.00 179.25 180.25 3fa3 h LEU 14 N 0.60 0.00 0.01 0.00 3.38 0.09 -2.74 115.31 116.66 3fa3 h LEU 14 Ca 0.03 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.69 3fa3 h LEU 14 Cb 1.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 3fa3 h LEU 14 CO 0.11 0.00 -1.78 -0.62 0.09 0.00 0.00 178.44 176.23 3fa3 n GLU 15 N -2.75 0.65 -2.69 1.13 1.02 -0.52 -4.72 120.64 112.76 3fa3 n GLU 15 Ca -0.02 0.28 -0.43 0.00 -0.02 0.00 0.00 57.16 56.97 3fa3 n GLU 15 Cb 0.50 -1.77 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 3fa3 n GLU 15 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3fa3 s ASN 16 N -6.16 6.82 0.00 1.62 2.47 -1.03 -4.90 114.94 113.75 3fa3 s ASN 16 Ca -0.07 0.85 0.09 0.00 0.42 0.00 0.00 52.86 54.15 3fa3 s ASN 16 Cb 0.08 -2.52 0.27 0.00 -1.45 0.00 0.00 41.25 37.62 3fa3 s ASN 16 CO 0.82 -0.91 1.22 -0.81 -3.72 0.00 0.00 177.10 173.69 3fa3 n PRO 17 N 6.95 1.59 0.01 0.43 -0.04 -1.26 -1.77 135.00 140.91 3fa3 n PRO 17 Ca 0.11 -0.91 0.12 0.00 -0.04 0.00 0.00 63.50 62.77 3fa3 n PRO 17 Cb 0.48 -1.21 0.16 0.00 -0.04 0.00 0.00 33.50 32.88 3fa3 n PRO 17 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3fa3 n ASP 18 N 0.23 0.61 -4.75 3.54 10.43 -1.26 -4.94 116.55 120.42 3fa3 n ASP 18 Ca 0.09 -0.36 -0.40 0.00 2.57 0.00 0.00 54.79 56.69 3fa3 n ASP 18 Cb 0.22 0.43 -0.05 0.00 1.84 0.00 0.00 41.12 43.56 3fa3 n ASP 18 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3fa3 s SER 19 N -3.16 7.23 -0.16 -2.24 0.01 -0.73 -5.03 113.70 109.62 3fa3 s SER 19 Ca 0.09 1.47 -0.01 0.00 1.31 0.00 0.00 55.95 58.81 3fa3 s SER 19 Cb 0.17 -2.47 0.04 0.00 0.21 0.00 0.00 66.02 63.97 3fa3 s SER 19 CO 0.74 0.04 -0.03 0.12 0.41 0.00 0.00 173.24 174.52 3fa3 s PHE 20 N -0.19 1.48 -0.35 2.43 5.36 -1.26 -4.90 117.98 120.54 3fa3 s PHE 20 Ca 0.38 -0.96 -0.25 0.00 -0.96 0.00 0.00 56.93 55.14 3fa3 s PHE 20 Cb -0.21 -1.21 0.01 0.00 -0.34 0.00 0.00 43.02 41.28 3fa3 s PHE 20 CO 0.23 -0.59 0.89 0.42 -1.46 0.00 0.00 175.22 174.72 3fa3 s ILE 21 N 1.71 4.64 -0.26 3.12 -1.09 0.18 -4.97 121.20 124.53 3fa3 s ILE 21 Ca 0.01 1.20 -0.07 0.00 -2.23 0.00 0.00 60.65 59.55 3fa3 s ILE 21 Cb -0.15 -4.29 -0.02 0.00 -1.58 0.00 0.00 42.46 36.42 3fa3 s ILE 21 CO -0.07 -0.46 0.07 0.54 -1.23 0.00 0.00 174.94 173.79 3fa3 s VAL 22 N 3.34 4.19 -0.16 2.92 0.11 -1.26 -1.56 120.40 127.98 3fa3 s VAL 22 Ca 0.37 -0.34 -0.01 0.00 -2.93 0.00 0.00 61.98 59.07 3fa3 s VAL 22 Cb -0.13 -3.02 0.04 0.00 -1.53 0.00 0.00 36.38 31.75 3fa3 s VAL 22 CO 0.17 0.26 -0.05 0.00 -3.33 0.00 0.00 175.10 172.15 3fa3 s ALA 23 N 1.58 1.40 0.47 1.54 0.00 -0.66 -4.05 121.76 122.04 3fa3 s ALA 23 Ca 0.05 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 3fa3 s ALA 23 Cb -0.16 -1.08 -0.06 0.00 0.00 0.00 0.00 23.12 21.82 3fa3 s ALA 23 CO 0.03 -0.75 0.85 -1.25 0.00 0.00 0.00 175.76 174.64 3fa3 s PRO 24 N 1.67 3.74 -0.09 0.00 0.04 -1.25 -3.07 135.00 136.04 3fa3 s PRO 24 Ca 0.01 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 61.31 3fa3 s PRO 24 Cb -0.15 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 3fa3 s PRO 24 CO -0.08 -0.19 1.45 0.20 0.04 0.00 0.00 177.00 178.43 3fa3 s GLY 25 N -3.45 1.64 0.38 0.56 0.00 0.39 -1.22 107.32 105.63 3fa3 s GLY 25 Ca 0.53 0.73 0.06 0.00 0.00 0.00 0.00 44.72 46.04 3fa3 s GLY 25 CO 0.37 2.72 0.02 -1.34 0.00 0.00 0.00 173.10 174.88 3fa3 s VAL 26 N 3.52 1.74 0.00 1.40 -7.23 0.13 -3.23 120.40 116.73 3fa3 s VAL 26 Ca 0.64 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 3fa3 s VAL 26 Cb -0.28 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 33.73 3fa3 s VAL 26 CO 0.23 -0.00 0.06 0.00 -0.31 0.00 0.00 175.10 175.07 3fa3 n TYR 27 N -0.87 0.00 0.00 2.82 4.11 -1.26 -2.07 117.16 119.89 3fa3 n TYR 27 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.86 3fa3 n TYR 27 Cb 0.67 0.15 0.00 0.00 -0.00 0.00 0.00 39.34 40.15 3fa3 n TYR 27 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 3fa3 n ASP 28 N 0.00 0.00 -0.25 9.48 5.75 -1.26 -4.46 116.55 125.81 3fa3 n ASP 28 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.72 3fa3 n ASP 28 Cb 0.50 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.66 3fa3 n ASP 28 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3fa3 h GLY 29 N 0.00 1.20 0.55 6.12 0.00 -1.98 -2.63 103.07 106.32 3fa3 h GLY 29 Ca 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 3fa3 h GLY 29 CO 0.00 0.67 -0.12 1.41 0.00 0.00 0.00 176.54 178.50 3fa3 h LEU 30 N 1.07 -0.29 -0.90 3.11 3.38 -1.98 0.10 115.31 119.79 3fa3 h LEU 30 Ca 0.23 -0.23 0.20 0.00 0.09 0.00 0.00 57.88 58.16 3fa3 h LEU 30 Cb 0.33 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.04 3fa3 h LEU 30 CO -0.00 0.14 0.44 0.77 0.09 0.00 0.00 178.44 179.87 3fa3 h SER 31 N -0.81 0.44 0.19 -0.43 4.64 -1.97 -1.07 113.55 114.54 3fa3 h SER 31 Ca -0.04 0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 3fa3 h SER 31 Cb 0.51 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3fa3 h SER 31 CO 0.06 0.09 -0.09 0.00 -0.87 0.00 0.00 176.83 176.01 3fa3 h ALA 32 N 1.66 -0.26 -0.32 5.18 0.00 -1.00 0.33 119.26 124.85 3fa3 h ALA 32 Ca 0.54 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.34 3fa3 h ALA 32 Cb 0.95 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3fa3 h ALA 32 CO -0.47 -0.54 0.22 0.00 0.00 0.00 0.00 179.25 178.46 3fa3 h ARG 33 N -0.46 0.35 -0.05 0.00 2.47 -0.23 -1.35 114.38 115.11 3fa3 h ARG 33 Ca -0.03 -0.02 -0.25 0.00 -1.26 0.00 0.00 59.98 58.43 3fa3 h ARG 33 Cb 0.35 -0.08 0.02 0.00 -1.65 0.00 0.00 29.97 28.61 3fa3 h ARG 33 CO 0.04 0.23 -0.94 0.28 0.56 0.00 0.00 179.97 180.15 3fa3 h VAL 34 N 0.36 1.28 0.16 2.04 2.07 -0.75 -0.67 116.25 120.74 3fa3 h VAL 34 Ca 0.13 -2.15 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 3fa3 h VAL 34 Cb 0.07 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3fa3 h VAL 34 CO -0.03 0.67 -0.09 0.00 0.02 0.00 0.00 177.57 178.14 3fa3 h ALA 35 N 0.44 -0.23 -0.44 1.67 0.00 -0.31 -2.60 119.26 117.80 3fa3 h ALA 35 Ca -0.10 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.85 3fa3 h ALA 35 Cb 1.59 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.40 3fa3 h ALA 35 CO 0.19 -0.64 -0.15 -0.07 0.00 0.00 0.00 179.25 178.58 3fa3 h LEU 36 N -0.24 -0.53 -2.03 0.00 4.07 -1.32 -2.21 115.31 113.05 3fa3 h LEU 36 Ca -0.02 0.15 0.12 0.00 0.08 0.00 0.00 57.88 58.21 3fa3 h LEU 36 Cb 0.20 0.32 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 3fa3 h LEU 36 CO 0.02 -0.19 0.31 0.28 -1.08 0.00 0.00 178.44 177.79 3fa3 h SER 37 N -0.05 0.00 -0.37 -0.43 0.02 -0.94 0.69 113.55 112.47 3fa3 h SER 37 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3fa3 h SER 37 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3fa3 h SER 37 CO -0.48 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.21 3fa3 n ALA 38 N -2.57 2.45 -0.47 3.77 0.00 -0.83 -4.96 120.51 117.89 3fa3 n ALA 38 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3fa3 n ALA 38 Cb 0.50 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3fa3 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 39 N 1.13 0.77 3.60 0.00 0.00 0.23 -5.06 105.19 105.86 3fa3 n GLY 39 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3fa3 n GLY 39 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fa3 n PHE 40 N -2.00 1.17 1.05 1.61 3.01 -1.23 -4.93 117.46 116.13 3fa3 n PHE 40 Ca 0.00 0.61 0.11 0.00 1.01 0.00 0.00 57.45 59.18 3fa3 n PHE 40 Cb 0.00 -2.23 0.06 0.00 -0.01 0.00 0.00 39.48 37.30 3fa3 n PHE 40 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3fa3 n ASP 41 N 0.81 1.58 -3.69 4.37 8.00 -1.26 -4.80 116.55 121.55 3fa3 n ASP 41 Ca 0.09 -1.24 -0.13 0.00 0.71 0.00 0.00 54.79 54.22 3fa3 n ASP 41 Cb 0.37 0.49 -0.07 0.00 -0.02 0.00 0.00 41.12 41.89 3fa3 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa3 s ALA 42 N -2.60 -0.96 0.12 2.24 0.00 -1.26 -3.96 121.76 115.34 3fa3 s ALA 42 Ca 0.17 0.36 0.11 0.00 0.00 0.00 0.00 51.96 52.60 3fa3 s ALA 42 Cb 0.18 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 3fa3 s ALA 42 CO 0.62 -0.38 -0.26 -0.51 0.00 0.00 0.00 175.76 175.22 3fa3 s LEU 43 N -1.74 2.30 -0.16 0.00 1.43 -0.73 -3.88 118.68 115.90 3fa3 s LEU 43 Ca -0.08 -0.73 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 3fa3 s LEU 43 Cb -0.02 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 45.02 3fa3 s LEU 43 CO 0.01 0.18 -0.20 -0.47 0.23 0.00 0.00 176.35 176.10 3fa3 s TYR 44 N -1.04 2.75 -0.44 0.29 5.04 -0.36 -0.71 117.35 122.88 3fa3 s TYR 44 Ca 0.13 -1.45 -0.24 0.00 -2.44 0.00 0.00 57.07 53.07 3fa3 s TYR 44 Cb -0.10 -1.89 0.02 0.00 0.35 0.00 0.00 41.96 40.35 3fa3 s TYR 44 CO 0.05 -0.69 0.85 1.41 -1.34 0.00 0.00 175.55 175.83 3fa3 s MET 45 N 1.08 3.51 0.11 4.97 -2.45 -0.83 0.18 119.30 125.87 3fa3 s MET 45 Ca -0.00 0.08 -0.31 0.00 -1.25 0.00 0.00 55.69 54.20 3fa3 s MET 45 Cb -0.14 -3.92 -0.07 0.00 1.25 0.00 0.00 34.83 31.95 3fa3 s MET 45 CO -0.07 -1.14 1.29 -0.08 1.05 0.00 0.00 175.02 176.08 3fa3 s THR 46 N 3.49 3.58 0.18 10.11 -1.32 -0.88 -2.55 115.64 128.26 3fa3 s THR 46 Ca 0.34 1.17 -0.13 0.00 -1.21 0.00 0.00 61.69 61.85 3fa3 s THR 46 Cb -0.11 -3.75 0.09 0.00 -1.51 0.00 0.00 72.50 67.22 3fa3 s THR 46 CO 0.24 0.11 1.83 1.23 -2.21 0.00 0.00 174.62 175.82 3fa3 h GLY 47 N 6.52 0.84 0.76 6.08 0.00 -1.91 0.21 103.07 115.56 3fa3 h GLY 47 Ca -0.42 -0.33 0.02 0.00 0.00 0.00 0.00 47.33 46.59 3fa3 h GLY 47 CO 0.83 0.33 -0.10 0.00 0.00 0.00 0.00 176.54 177.59 3fa3 h ALA 48 N 1.20 -0.12 -0.59 3.60 0.00 -1.97 0.44 119.26 121.81 3fa3 h ALA 48 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3fa3 h ALA 48 Cb -0.05 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3fa3 h ALA 48 CO -0.04 -0.60 0.38 0.78 0.00 0.00 0.00 179.25 179.77 3fa3 h GLY 49 N -0.18 0.84 0.11 0.00 0.00 -1.89 -1.98 103.07 99.98 3fa3 h GLY 49 Ca 0.04 -0.29 0.09 0.00 0.00 0.00 0.00 47.33 47.16 3fa3 h GLY 49 CO -0.10 0.27 -0.10 -0.84 0.00 0.00 0.00 176.54 175.78 3fa3 h THR 50 N 0.77 0.56 -0.76 4.70 2.02 0.28 -1.43 112.91 119.04 3fa3 h THR 50 Ca 0.23 -0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.48 3fa3 h THR 50 Cb -0.05 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 66.85 3fa3 h THR 50 CO -0.07 0.00 0.43 0.00 0.37 0.00 0.00 175.52 176.25 3fa3 h ALA 51 N 1.45 1.05 -0.08 6.16 0.00 -0.42 0.81 119.26 128.22 3fa3 h ALA 51 Ca 0.22 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3fa3 h ALA 51 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3fa3 h ALA 51 CO -0.46 0.09 -0.18 0.00 0.00 0.00 0.00 179.25 178.70 3fa3 h ALA 52 N 1.41 0.12 -0.01 0.00 0.00 -1.13 -1.02 119.26 118.63 3fa3 h ALA 52 Ca 0.35 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3fa3 h ALA 52 Cb 0.27 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3fa3 h ALA 52 CO -0.22 0.06 -0.26 1.03 0.00 0.00 0.00 179.25 179.87 3fa3 h SER 53 N -0.23 0.24 -0.03 0.00 0.87 -1.17 -1.30 113.55 111.93 3fa3 h SER 53 Ca -0.00 -0.76 -0.15 0.00 -1.23 0.00 0.00 61.79 59.65 3fa3 h SER 53 Cb 0.79 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 3fa3 h SER 53 CO 0.04 0.97 -0.48 0.58 -0.53 0.00 0.00 176.83 177.41 3fa3 h VAL 54 N -0.47 1.31 0.00 2.23 2.07 -0.94 -3.37 116.25 117.08 3fa3 h VAL 54 Ca -0.03 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.80 3fa3 h VAL 54 Cb 1.00 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3fa3 h VAL 54 CO 0.05 0.53 -0.81 1.41 0.02 0.00 0.00 177.57 178.77 3fa3 n HIS 55 N -3.99 0.00 -2.40 1.57 8.25 -0.43 -5.01 115.22 113.21 3fa3 n HIS 55 Ca -0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.29 3fa3 n HIS 55 Cb 0.56 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.67 3fa3 n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 56 N 2.14 -0.18 3.47 -1.41 0.00 -0.49 -4.97 105.19 103.75 3fa3 n GLY 56 Ca -0.00 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 3fa3 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fa3 s GLN 57 N -4.86 1.67 0.96 1.61 2.00 -1.05 -4.94 119.66 115.05 3fa3 s GLN 57 Ca 0.06 -1.75 -0.13 0.00 -2.00 0.00 0.00 55.36 51.53 3fa3 s GLN 57 Cb -0.02 -1.76 0.17 0.00 0.80 0.00 0.00 33.01 32.19 3fa3 s GLN 57 CO 0.07 0.33 1.14 0.00 -0.50 0.00 0.00 175.29 176.33 3fa3 s ALA 58 N -2.47 1.51 -1.21 1.58 0.00 -1.26 -3.13 121.76 116.77 3fa3 s ALA 58 Ca 0.29 -0.57 -0.20 0.00 0.00 0.00 0.00 51.96 51.48 3fa3 s ALA 58 Cb -0.05 -3.02 0.03 0.00 0.00 0.00 0.00 23.12 20.07 3fa3 s ALA 58 CO 0.15 -2.54 1.75 0.34 0.00 0.00 0.00 175.76 175.46 3fa3 s ASP 59 N -3.94 6.30 -0.12 0.00 3.68 -1.26 -4.68 116.67 116.65 3fa3 s ASP 59 Ca 0.65 -2.04 0.23 0.00 2.13 0.00 0.00 52.55 53.52 3fa3 s ASP 59 Cb -0.15 -2.58 0.46 0.00 -1.45 0.00 0.00 42.92 39.20 3fa3 s ASP 59 CO 0.54 -1.73 1.16 0.18 0.13 0.00 0.00 175.17 175.46 3fa3 n LEU 60 N 10.08 1.57 0.00 -1.34 4.77 -1.26 -2.69 117.00 128.14 3fa3 n LEU 60 Ca 0.45 -2.67 0.00 0.00 -0.03 0.00 0.00 56.01 53.76 3fa3 n LEU 60 Cb 0.47 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3fa3 n LEU 60 CO 0.72 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 178.24 3fa3 n GLY 61 N -0.08 0.30 0.31 -0.72 0.00 -0.98 -4.16 105.19 99.86 3fa3 n GLY 61 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 3fa3 n GLY 61 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fa3 h ILE 62 N 0.00 0.96 -3.48 -0.61 1.08 -1.89 -3.43 117.51 110.15 3fa3 h ILE 62 Ca 0.00 -0.09 -0.52 0.00 -0.39 0.00 0.00 64.86 63.86 3fa3 h ILE 62 Cb 0.41 0.69 0.01 0.00 -3.07 0.00 0.00 36.82 34.86 3fa3 h ILE 62 CO 0.00 0.05 0.51 0.00 -0.69 0.00 0.00 178.15 178.01 3fa3 s THR 64 N 0.04 3.75 0.17 0.00 -1.32 -1.26 -4.95 115.64 112.07 3fa3 s THR 64 Ca 0.52 -0.01 -0.16 0.00 -1.21 0.00 0.00 61.69 60.83 3fa3 s THR 64 Cb -0.30 -3.48 0.10 0.00 -1.51 0.00 0.00 72.50 67.32 3fa3 s THR 64 CO 0.34 -0.48 1.68 0.25 -2.21 0.00 0.00 174.62 174.20 3fa3 h LEU 65 N -0.12 -0.30 -0.80 9.08 5.85 -1.95 -1.78 115.31 125.29 3fa3 h LEU 65 Ca -0.45 0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.47 3fa3 h LEU 65 Cb 1.25 0.23 -0.11 0.00 0.37 0.00 0.00 40.66 42.40 3fa3 h LEU 65 CO 0.60 -0.10 -0.54 0.78 -0.34 0.00 0.00 178.44 178.84 3fa3 h ASN 66 N 0.05 -1.94 -0.79 1.25 4.21 -1.99 0.28 115.58 116.65 3fa3 h ASN 66 Ca 0.21 0.30 0.16 0.00 1.21 0.00 0.00 56.30 58.18 3fa3 h ASN 66 Cb 0.32 0.86 -0.10 0.00 -1.12 0.00 0.00 38.32 38.28 3fa3 h ASN 66 CO -0.41 -0.29 0.32 0.44 -1.29 0.00 0.00 177.43 176.20 3fa3 h ASP 67 N -0.13 0.28 0.02 5.81 3.32 -1.84 -2.36 116.42 121.52 3fa3 h ASP 67 Ca 0.16 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 3fa3 h ASP 67 Cb 0.49 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3fa3 h ASP 67 CO -0.83 0.08 -0.15 0.24 -1.72 0.00 0.00 179.24 176.86 3fa3 h MET 68 N 0.44 0.07 -0.04 3.56 2.86 -0.09 -2.35 114.93 119.37 3fa3 h MET 68 Ca 0.45 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 58.00 3fa3 h MET 68 Cb 0.72 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 3fa3 h MET 68 CO -0.44 0.98 -0.04 -0.09 1.06 0.00 0.00 176.91 178.39 3fa3 h ARG 69 N -0.79 -0.05 -0.29 1.72 1.12 -0.58 0.48 114.38 116.00 3fa3 h ARG 69 Ca -0.02 0.00 0.04 0.00 -1.11 0.00 0.00 59.98 58.88 3fa3 h ARG 69 Cb 1.05 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.99 3fa3 h ARG 69 CO 0.03 -0.03 0.08 0.00 -3.11 0.00 0.00 179.97 176.93 3fa3 h ALA 70 N 0.99 0.31 -0.54 2.80 0.00 -1.43 0.55 119.26 121.95 3fa3 h ALA 70 Ca 0.03 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3fa3 h ALA 70 Cb 0.09 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3fa3 h ALA 70 CO -0.07 -0.33 -0.02 -0.97 0.00 0.00 0.00 179.25 177.86 3fa3 h ASN 71 N 0.19 0.90 -0.43 0.00 -1.24 -1.14 -1.66 115.58 112.20 3fa3 h ASN 71 Ca 0.13 -0.25 -0.01 0.00 0.71 0.00 0.00 56.30 56.88 3fa3 h ASN 71 Cb 0.12 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.91 3fa3 h ASN 71 CO -0.16 0.97 0.22 0.00 -1.29 0.00 0.00 177.43 177.17 3fa3 h ALA 72 N 1.12 0.56 -0.23 1.57 0.00 0.36 -2.80 119.26 119.84 3fa3 h ALA 72 Ca 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3fa3 h ALA 72 Cb 0.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3fa3 h ALA 72 CO 0.03 0.11 0.10 1.49 0.00 0.00 0.00 179.25 180.98 3fa3 h GLU 73 N 0.56 0.34 -0.19 0.00 4.81 0.29 -1.51 114.58 118.88 3fa3 h GLU 73 Ca 0.15 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3fa3 h GLU 73 Cb 0.11 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3fa3 h GLU 73 CO -0.02 0.38 0.11 0.00 -0.73 0.00 0.00 179.01 178.74 3fa3 h MET 74 N 0.22 0.27 -1.01 1.92 -0.00 -1.32 -1.80 114.93 113.21 3fa3 h MET 74 Ca 0.08 -0.03 0.07 0.00 -0.00 0.00 0.00 59.70 59.82 3fa3 h MET 74 Cb 0.16 -0.05 -0.07 0.00 -0.00 0.00 0.00 31.60 31.64 3fa3 h MET 74 CO -0.01 0.26 0.65 0.82 -0.00 0.00 0.00 176.91 178.63 3fa3 h ILE 75 N 0.21 1.07 0.00 -0.10 2.04 -1.39 -1.61 117.51 117.73 3fa3 h ILE 75 Ca 0.07 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 3fa3 h ILE 75 Cb 0.07 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 35.95 3fa3 h ILE 75 CO -0.01 0.21 -0.29 0.28 0.00 0.00 0.00 178.15 178.34 3fa3 h SER 76 N 1.17 0.00 -0.03 1.72 0.02 -0.72 -3.18 113.55 112.52 3fa3 h SER 76 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 3fa3 h SER 76 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3fa3 h SER 76 CO -0.18 0.29 -0.01 0.59 -1.14 0.00 0.00 176.83 176.38 3fa3 n ASN 77 N -3.67 2.84 -0.05 3.07 3.02 -0.65 -3.82 115.26 116.00 3fa3 n ASN 77 Ca -0.01 -1.92 -0.10 0.00 -0.03 0.00 0.00 54.58 52.53 3fa3 n ASN 77 Cb 0.41 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 3fa3 n ASN 77 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3fa3 h ILE 78 N 4.33 1.02 -3.03 2.41 2.04 -1.42 -3.36 117.51 119.49 3fa3 h ILE 78 Ca 0.00 -0.09 -0.60 0.00 1.00 0.00 0.00 64.86 65.17 3fa3 h ILE 78 Cb 0.92 0.75 -0.40 0.00 -0.74 0.00 0.00 36.82 37.35 3fa3 h ILE 78 CO 0.00 0.05 -0.75 -0.55 0.00 0.00 0.00 178.15 176.90 3fa3 s SER 79 N -5.36 3.75 0.38 1.72 0.15 -1.26 -5.04 113.70 108.05 3fa3 s SER 79 Ca -0.13 -2.30 0.08 0.00 0.70 0.00 0.00 55.95 54.31 3fa3 s SER 79 Cb 0.09 -0.96 0.83 0.00 -1.71 0.00 0.00 66.02 64.26 3fa3 s SER 79 CO 0.69 -0.32 1.94 -0.65 1.20 0.00 0.00 173.24 176.11 3fa3 h PRO 80 N 7.17 0.64 0.00 5.44 0.11 -1.72 -1.45 132.00 142.18 3fa3 h PRO 80 Ca -0.04 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3fa3 h PRO 80 Cb 0.96 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3fa3 h PRO 80 CO 0.47 0.43 0.00 -1.13 -0.21 0.00 0.00 178.00 177.55 3fa3 n SER 81 N -4.49 0.00 -4.66 -2.05 3.41 -1.26 -4.31 113.62 100.26 3fa3 n SER 81 Ca 0.12 -0.34 -0.38 0.00 -0.26 0.00 0.00 58.87 58.01 3fa3 n SER 81 Cb 0.32 -0.14 -0.08 0.00 -0.26 0.00 0.00 64.21 64.06 3fa3 n SER 81 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3fa3 s THR 82 N -2.27 5.25 0.36 6.66 2.01 -0.55 -4.93 115.64 122.18 3fa3 s THR 82 Ca 0.25 0.50 -0.27 0.00 0.31 0.00 0.00 61.69 62.48 3fa3 s THR 82 Cb 0.14 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.91 3fa3 s THR 82 CO 0.27 0.28 1.24 -2.16 -0.69 0.00 0.00 174.62 173.56 3fa3 s PRO 83 N 1.29 4.21 -0.15 4.92 0.04 -1.25 -4.87 135.00 139.18 3fa3 s PRO 83 Ca 0.14 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.25 3fa3 s PRO 83 Cb -0.14 -2.90 0.01 0.00 0.04 0.00 0.00 34.50 31.50 3fa3 s PRO 83 CO 0.07 -0.26 -0.19 0.08 0.04 0.00 0.00 177.00 176.75 3fa3 s VAL 84 N -1.25 2.31 -0.35 -0.36 1.01 -1.26 -1.77 120.40 118.73 3fa3 s VAL 84 Ca 0.53 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 3fa3 s VAL 84 Cb -0.36 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 3fa3 s VAL 84 CO 0.47 0.53 0.42 -0.63 0.00 0.00 0.00 175.10 175.89 3fa3 s ILE 85 N 0.90 5.11 -0.09 2.22 1.01 0.12 -1.31 121.20 129.16 3fa3 s ILE 85 Ca -0.04 0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.72 3fa3 s ILE 85 Cb -0.15 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 3fa3 s ILE 85 CO -0.03 -0.17 -0.15 0.00 0.00 0.00 0.00 174.94 174.59 3fa3 s ALA 86 N 2.14 2.57 0.19 9.38 0.00 0.54 -1.96 121.76 134.63 3fa3 s ALA 86 Ca 0.14 -0.94 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 3fa3 s ALA 86 Cb -0.16 -1.05 -0.09 0.00 0.00 0.00 0.00 23.12 21.82 3fa3 s ALA 86 CO 0.12 0.39 1.44 0.34 0.00 0.00 0.00 175.76 178.04 3fa3 s ASP 87 N -0.12 6.72 -0.12 0.00 -1.08 -1.06 -2.36 116.67 118.65 3fa3 s ASP 87 Ca -0.02 2.53 0.17 0.00 -0.52 0.00 0.00 52.55 54.71 3fa3 s ASP 87 Cb -0.14 -2.61 0.30 0.00 -1.46 0.00 0.00 42.92 39.01 3fa3 s ASP 87 CO 0.04 -0.69 1.18 0.00 0.52 0.00 0.00 175.17 176.22 3fa3 n ALA 88 N 3.13 2.34 -0.34 3.66 0.00 -0.62 -4.80 120.51 123.87 3fa3 n ALA 88 Ca 0.09 -2.39 0.00 0.00 0.00 0.00 0.00 53.44 51.15 3fa3 n ALA 88 Cb 0.41 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3fa3 n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fa3 n ASP 89 N -1.17 0.00 -0.66 0.00 8.00 -1.17 -0.94 116.55 120.62 3fa3 n ASP 89 Ca 0.15 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.72 3fa3 n ASP 89 Cb 0.63 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.93 3fa3 n ASP 89 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3fa3 n THR 90 N 0.00 1.75 -0.65 -3.53 -2.24 -1.26 -0.87 114.28 107.47 3fa3 n THR 90 Ca 0.00 -1.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.20 3fa3 n THR 90 Cb 0.00 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3fa3 n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fa3 n GLY 91 N -0.29 0.81 2.54 3.38 0.00 -0.11 -4.45 105.19 107.06 3fa3 n GLY 91 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 3fa3 n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fa3 n TYR 92 N -2.04 0.00 -3.72 1.61 4.02 -1.26 -2.55 117.16 113.21 3fa3 n TYR 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3fa3 n TYR 92 Cb 0.00 -2.79 0.00 0.00 -0.02 0.00 0.00 39.34 36.53 3fa3 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fa3 n GLY 93 N -0.74 -0.75 0.00 2.72 0.00 -1.26 -4.90 105.19 100.26 3fa3 n GLY 93 Ca -0.15 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3fa3 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 94 N 0.00 -0.47 0.21 -0.02 0.00 -1.26 -4.60 105.19 99.06 3fa3 n GLY 94 Ca 0.00 -1.51 -0.03 0.00 0.00 0.00 0.00 46.02 44.48 3fa3 n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fa3 h PRO 95 N 0.00 0.46 -0.97 1.61 0.11 -1.94 -0.26 132.00 131.01 3fa3 h PRO 95 Ca 0.00 -0.03 0.26 0.00 0.11 0.00 0.00 66.00 66.35 3fa3 h PRO 95 Cb 0.00 -0.10 -0.13 0.00 0.11 0.00 0.00 31.00 30.87 3fa3 h PRO 95 CO 0.00 0.31 0.50 0.82 -0.21 0.00 0.00 178.00 179.42 3fa3 h ILE 96 N 0.48 0.42 0.17 4.15 2.04 -1.97 0.12 117.51 122.92 3fa3 h ILE 96 Ca 0.25 -0.14 -0.35 0.00 1.00 0.00 0.00 64.86 65.61 3fa3 h ILE 96 Cb 0.20 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 3fa3 h ILE 96 CO -0.20 0.08 -1.78 0.24 0.00 0.00 0.00 178.15 176.48 3fa3 h MET 97 N 0.42 0.36 -0.83 2.37 2.86 -1.70 -2.46 114.93 115.94 3fa3 h MET 97 Ca 0.65 -0.62 0.18 0.00 -2.06 0.00 0.00 59.70 57.84 3fa3 h MET 97 Cb 1.32 0.23 -0.06 0.00 0.06 0.00 0.00 31.60 33.16 3fa3 h MET 97 CO -0.55 1.28 0.56 0.28 1.06 0.00 0.00 176.91 179.54 3fa3 h VAL 98 N 0.10 0.73 0.01 -2.22 2.07 -0.65 0.28 116.25 116.56 3fa3 h VAL 98 Ca -0.35 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 3fa3 h VAL 98 Cb 2.09 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3fa3 h VAL 98 CO 0.16 0.07 -0.17 0.00 0.02 0.00 0.00 177.57 177.66 3fa3 h ALA 99 N 1.62 0.01 -0.44 1.67 0.00 -0.75 -2.30 119.26 119.08 3fa3 h ALA 99 Ca 0.42 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fa3 h ALA 99 Cb 1.03 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3fa3 h ALA 99 CO -0.14 0.03 0.25 0.00 0.00 0.00 0.00 179.25 179.39 3fa3 h ARG 100 N -0.66 0.59 -0.67 0.00 3.08 -1.13 -2.16 114.38 113.43 3fa3 h ARG 100 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3fa3 h ARG 100 Cb 0.98 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 3fa3 h ARG 100 CO 0.03 0.42 0.43 1.15 -1.07 0.00 0.00 179.97 180.94 3fa3 h THR 101 N 0.60 1.18 -0.63 2.04 2.02 -0.40 -0.06 112.91 117.65 3fa3 h THR 101 Ca 0.16 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 3fa3 h THR 101 Cb -0.00 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 3fa3 h THR 101 CO -0.03 0.17 0.19 0.74 0.37 0.00 0.00 175.52 176.96 3fa3 h THR 102 N 0.90 1.25 0.01 3.16 2.02 -0.98 -1.61 112.91 117.66 3fa3 h THR 102 Ca 0.24 -0.87 -0.25 0.00 0.77 0.00 0.00 66.41 66.31 3fa3 h THR 102 Cb -0.08 0.61 0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3fa3 h THR 102 CO -0.05 0.33 -1.01 -0.33 0.37 0.00 0.00 175.52 174.83 3fa3 h GLU 103 N 0.92 0.55 -0.00 6.66 5.08 -0.97 0.44 114.58 127.25 3fa3 h GLU 103 Ca 0.20 -0.60 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 3fa3 h GLU 103 Cb 0.31 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3fa3 h GLU 103 CO -0.00 1.22 -0.06 1.96 -1.00 0.00 0.00 179.01 181.13 3fa3 h GLN 104 N 0.31 0.05 -0.84 2.33 4.20 -1.01 0.84 115.11 120.98 3fa3 h GLN 104 Ca -0.11 -0.05 0.18 0.00 0.06 0.00 0.00 58.65 58.74 3fa3 h GLN 104 Cb 1.66 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 29.34 3fa3 h GLN 104 CO 0.19 0.80 0.35 1.88 -0.67 0.00 0.00 178.83 181.37 3fa3 h TYR 105 N -0.69 0.59 0.21 2.96 -1.99 -1.33 0.97 116.97 117.69 3fa3 h TYR 105 Ca -0.01 0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 3fa3 h TYR 105 Cb 0.82 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.41 3fa3 h TYR 105 CO 0.19 0.01 -0.13 0.77 -0.00 0.00 0.00 178.16 178.99 3fa3 h SER 106 N 0.43 -0.34 0.20 3.88 0.02 0.40 -1.72 113.55 116.41 3fa3 h SER 106 Ca 0.50 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.45 3fa3 h SER 106 Cb 0.86 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 3fa3 h SER 106 CO -0.48 -0.22 -0.07 0.03 -1.14 0.00 0.00 176.83 174.96 3fa3 h ARG 107 N -0.34 0.00 0.00 3.45 3.08 -0.05 0.54 114.38 121.07 3fa3 h ARG 107 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3fa3 h ARG 107 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3fa3 h ARG 107 CO 0.01 0.07 0.00 0.77 -1.07 0.00 0.00 179.97 179.75 3fa3 h SER 108 N 0.00 0.00 0.00 7.04 0.02 -0.38 -3.46 113.55 116.76 3fa3 h SER 108 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fa3 h SER 108 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3fa3 h SER 108 CO 0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 3fa3 n GLY 109 N 0.42 0.92 3.70 -3.77 0.00 0.18 -4.71 105.19 101.94 3fa3 n GLY 109 Ca 0.02 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3fa3 n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fa3 n VAL 110 N -2.15 1.60 -0.09 1.61 0.31 -0.69 -4.34 118.33 114.59 3fa3 n VAL 110 Ca 0.00 -0.40 -0.23 0.00 -0.01 0.00 0.00 64.34 63.70 3fa3 n VAL 110 Cb 0.00 -1.61 -0.12 0.00 -0.91 0.00 0.00 33.84 31.20 3fa3 n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fa3 n ALA 111 N 0.97 0.91 -2.25 3.52 0.00 -0.87 -4.39 120.51 118.40 3fa3 n ALA 111 Ca 0.07 -0.64 -0.08 0.00 0.00 0.00 0.00 53.44 52.79 3fa3 n ALA 111 Cb 0.35 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 19.24 3fa3 n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 s ALA 112 N -2.44 0.50 0.18 0.00 0.00 -0.43 -1.36 121.76 118.22 3fa3 s ALA 112 Ca -0.29 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 50.49 3fa3 s ALA 112 Cb 0.08 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 3fa3 s ALA 112 CO 0.61 -0.32 0.22 -0.59 0.00 0.00 0.00 175.76 175.69 3fa3 s PHE 113 N -3.47 0.74 -0.07 0.00 -0.12 0.92 -0.34 117.98 115.64 3fa3 s PHE 113 Ca 0.04 -1.06 0.02 0.00 -0.05 0.00 0.00 56.93 55.87 3fa3 s PHE 113 Cb 0.05 -0.27 0.02 0.00 -0.63 0.00 0.00 43.02 42.18 3fa3 s PHE 113 CO -0.08 -0.70 -0.11 -3.38 -0.05 0.00 0.00 175.22 170.90 3fa3 s HIS 114 N -4.06 1.40 -0.16 3.49 -3.43 -0.99 -0.43 115.29 111.11 3fa3 s HIS 114 Ca 0.27 -0.54 -0.02 0.00 -0.80 0.00 0.00 55.06 53.97 3fa3 s HIS 114 Cb 0.05 -1.06 -0.01 0.00 -1.43 0.00 0.00 32.58 30.13 3fa3 s HIS 114 CO 0.06 -0.30 -0.09 0.42 -2.00 0.00 0.00 174.74 172.83 3fa3 s ILE 115 N 0.81 3.28 0.49 -5.38 1.01 -1.05 -1.59 121.20 118.75 3fa3 s ILE 115 Ca -0.12 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.04 3fa3 s ILE 115 Cb -0.15 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.92 3fa3 s ILE 115 CO 0.02 0.49 0.49 -1.83 0.00 0.00 0.00 174.94 174.11 3fa3 s GLU 116 N 0.73 2.43 -0.26 2.79 -1.05 -0.05 -1.55 118.70 121.74 3fa3 s GLU 116 Ca -0.04 -1.68 0.13 0.00 -0.15 0.00 0.00 54.97 53.23 3fa3 s GLU 116 Cb -0.15 -2.39 0.78 0.00 -0.44 0.00 0.00 34.13 31.93 3fa3 s GLU 116 CO 0.02 -0.47 1.74 -0.40 0.95 0.00 0.00 175.26 177.10 3fa3 n ASP 117 N -1.79 5.34 -4.89 0.83 5.75 -1.23 -4.66 116.55 115.91 3fa3 n ASP 117 Ca 0.05 -3.03 -0.28 0.00 -0.01 0.00 0.00 54.79 51.52 3fa3 n ASP 117 Cb 0.62 -0.69 0.09 0.00 -1.03 0.00 0.00 41.12 40.11 3fa3 n ASP 117 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3fa3 s GLN 118 N -2.85 1.98 0.78 0.11 -0.21 -1.26 -0.56 119.66 117.66 3fa3 s GLN 118 Ca 0.54 0.03 -0.11 0.00 0.02 0.00 0.00 55.36 55.84 3fa3 s GLN 118 Cb 0.42 -1.99 0.06 0.00 1.00 0.00 0.00 33.01 32.50 3fa3 s GLN 118 CO 0.15 -1.55 1.10 0.14 -2.12 0.00 0.00 175.29 173.01 3fa3 s VAL 119 N -3.52 3.15 0.57 1.09 -7.23 -0.78 -4.33 120.40 109.36 3fa3 s VAL 119 Ca 0.62 0.39 0.35 0.00 -1.81 0.00 0.00 61.98 61.53 3fa3 s VAL 119 Cb -0.11 -2.82 0.38 0.00 0.56 0.00 0.00 36.38 34.40 3fa3 s VAL 119 CO 0.48 -0.48 2.27 -0.61 -0.31 0.00 0.00 175.10 176.45 3fa3 h GLN 120 N -1.15 0.00 -2.41 4.82 4.15 -1.95 -3.01 115.11 115.55 3fa3 h GLN 120 Ca -0.44 0.00 -0.79 0.00 0.77 0.00 0.00 58.65 58.19 3fa3 h GLN 120 Cb 1.24 0.00 -0.23 0.00 0.21 0.00 0.00 27.48 28.70 3fa3 h GLN 120 CO 0.50 0.02 1.40 -2.37 -1.93 0.00 0.00 178.83 176.45 3fa3 n THR 121 N -3.49 5.82 -1.91 2.39 5.66 -1.26 -4.76 114.28 116.73 3fa3 n THR 121 Ca -0.03 -5.53 -0.19 0.00 -3.05 0.00 0.00 64.05 55.26 3fa3 n THR 121 Cb 0.11 -1.73 0.12 0.00 -1.55 0.00 0.00 70.33 67.28 3fa3 n THR 121 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 3fa3 n LYS 122 N 0.57 -0.56 -3.54 1.09 2.85 -1.14 -4.80 118.16 112.63 3fa3 n LYS 122 Ca 0.49 -1.55 -0.16 0.00 -1.05 0.00 0.00 58.31 56.05 3fa3 n LYS 122 Cb 0.26 -0.78 -0.06 0.00 -0.65 0.00 0.00 35.03 33.81 3fa3 n LYS 122 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 3fa3 s ARG 123 N -4.74 1.05 0.47 -1.58 3.52 -1.26 -2.33 118.95 114.08 3fa3 s ARG 123 Ca 0.49 0.03 -0.23 0.00 -0.13 0.00 0.00 55.73 55.90 3fa3 s ARG 123 Cb -0.02 0.49 -0.09 0.00 -1.56 0.00 0.00 34.95 33.77 3fa3 s ARG 123 CO 0.34 -0.36 0.96 0.00 -0.81 0.00 0.00 175.30 175.43 3fa3 n GLY 125 N 1.26 -1.24 1.45 0.00 0.00 -1.26 -3.00 105.19 102.40 3fa3 n GLY 125 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 3fa3 n GLY 125 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fa3 n HIS 126 N -1.75 1.67 -4.32 1.61 8.25 -1.26 -4.83 115.22 114.58 3fa3 n HIS 126 Ca 0.04 -1.36 -0.29 0.00 -0.26 0.00 0.00 57.72 55.85 3fa3 n HIS 126 Cb 0.24 -0.56 -0.12 0.00 1.12 0.00 0.00 29.99 30.68 3fa3 n HIS 126 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fa3 s LEU 127 N -3.09 2.62 0.63 2.41 1.43 -1.16 -4.82 118.68 116.70 3fa3 s LEU 127 Ca 0.48 -0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 52.79 3fa3 s LEU 127 Cb 0.41 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 3fa3 s LEU 127 CO 0.07 0.17 1.23 0.00 0.23 0.00 0.00 176.35 178.05 3fa3 s ALA 128 N -1.17 2.43 0.00 4.21 0.00 -1.26 -4.28 121.76 121.69 3fa3 s ALA 128 Ca 0.17 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.16 3fa3 s ALA 128 Cb -0.10 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3fa3 s ALA 128 CO 0.09 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 174.87 3fa3 n GLY 129 N 0.56 2.24 3.48 0.00 0.00 -1.26 -5.03 105.19 105.18 3fa3 n GLY 129 Ca 0.14 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.65 3fa3 n GLY 129 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fa3 n LYS 130 N -0.63 0.34 -4.37 1.61 5.02 -1.26 -4.93 118.16 113.95 3fa3 n LYS 130 Ca 0.00 0.12 -0.34 0.00 -2.02 0.00 0.00 58.31 56.08 3fa3 n LYS 130 Cb 0.00 -1.39 -0.12 0.00 -0.02 0.00 0.00 35.03 33.50 3fa3 n LYS 130 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fa3 s ILE 131 N -0.56 3.97 0.31 -0.18 1.01 -1.26 -4.97 121.20 119.51 3fa3 s ILE 131 Ca 0.73 -0.33 0.08 0.00 0.00 0.00 0.00 60.65 61.13 3fa3 s ILE 131 Cb -0.99 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 3fa3 s ILE 131 CO 0.56 0.49 0.20 -0.76 0.00 0.00 0.00 174.94 175.43 3fa3 s LEU 132 N 0.34 3.53 0.42 2.97 1.43 -1.26 -1.86 118.68 124.24 3fa3 s LEU 132 Ca -0.03 -0.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.63 3fa3 s LEU 132 Cb -0.14 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.01 3fa3 s LEU 132 CO 0.03 -0.22 0.53 0.54 0.23 0.00 0.00 176.35 177.45 3fa3 s VAL 133 N -2.29 2.98 0.85 -1.59 0.11 0.28 -4.62 120.40 116.10 3fa3 s VAL 133 Ca 0.37 -1.06 -0.14 0.00 -2.93 0.00 0.00 61.98 58.21 3fa3 s VAL 133 Cb -0.06 -3.01 0.20 0.00 -1.53 0.00 0.00 36.38 31.98 3fa3 s VAL 133 CO 0.24 -0.01 0.97 -0.90 -3.33 0.00 0.00 175.10 172.08 3fa3 n ASP 134 N -1.79 -0.70 -0.02 3.54 3.85 -1.26 -4.89 116.55 115.28 3fa3 n ASP 134 Ca 0.07 -1.23 -0.13 0.00 -0.71 0.00 0.00 54.79 52.78 3fa3 n ASP 134 Cb 0.59 -0.79 -0.10 0.00 -1.35 0.00 0.00 41.12 39.47 3fa3 n ASP 134 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.20 176.93 3fa3 h THR 135 N -1.95 1.41 -0.05 2.12 2.02 -1.98 -3.03 112.91 111.44 3fa3 h THR 135 Ca -0.33 -1.26 0.02 0.00 0.77 0.00 0.00 66.41 65.61 3fa3 h THR 135 Cb 0.95 2.22 -0.05 0.00 -1.74 0.00 0.00 68.15 69.53 3fa3 h THR 135 CO 0.23 0.33 -0.46 0.44 0.37 0.00 0.00 175.52 176.43 3fa3 h ASP 136 N -0.45 -1.44 -0.74 4.18 3.32 -1.99 -0.01 116.42 119.27 3fa3 h ASP 136 Ca 0.00 0.17 0.14 0.00 0.02 0.00 0.00 57.03 57.35 3fa3 h ASP 136 Cb 0.56 0.56 -0.14 0.00 0.22 0.00 0.00 39.33 40.52 3fa3 h ASP 136 CO 0.01 -0.43 -0.28 0.74 -1.72 0.00 0.00 179.24 177.55 3fa3 h THR 137 N -0.54 0.16 -0.33 0.35 2.02 -1.95 0.11 112.91 112.73 3fa3 h THR 137 Ca 0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.26 3fa3 h THR 137 Cb 0.60 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 3fa3 h THR 137 CO -0.34 0.00 -0.03 0.22 0.37 0.00 0.00 175.52 175.74 3fa3 h TYR 138 N -0.06 -0.08 -0.57 3.16 3.20 -1.37 -1.08 116.97 120.16 3fa3 h TYR 138 Ca 0.32 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 3fa3 h TYR 138 Cb 0.57 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 3fa3 h TYR 138 CO -0.67 -0.09 0.30 0.28 -1.64 0.00 0.00 178.16 176.33 3fa3 h VAL 139 N 0.05 1.20 -0.95 1.81 2.07 0.64 -0.59 116.25 120.48 3fa3 h VAL 139 Ca 0.16 -0.52 0.28 0.00 0.82 0.00 0.00 66.70 67.44 3fa3 h VAL 139 Cb 0.23 0.49 -0.14 0.00 -1.52 0.00 0.00 31.29 30.35 3fa3 h VAL 139 CO -0.30 0.21 0.43 0.74 0.02 0.00 0.00 177.57 178.68 3fa3 h THR 140 N 0.77 0.33 -0.10 2.57 2.02 0.37 0.67 112.91 119.54 3fa3 h THR 140 Ca 0.20 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 3fa3 h THR 140 Cb 0.07 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.48 3fa3 h THR 140 CO -0.03 0.06 -0.05 0.03 0.37 0.00 0.00 175.52 175.90 3fa3 h ARG 141 N 0.30 0.21 -0.48 6.66 3.08 -0.29 0.84 114.38 124.70 3fa3 h ARG 141 Ca 0.65 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 60.53 3fa3 h ARG 141 Cb 1.40 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.42 3fa3 h ARG 141 CO -0.61 0.57 -0.02 0.82 -1.07 0.00 0.00 179.97 179.65 3fa3 h ILE 142 N -0.16 1.27 -0.95 2.04 1.08 0.04 -2.13 117.51 118.70 3fa3 h ILE 142 Ca 0.02 -1.11 0.02 0.00 -0.39 0.00 0.00 64.86 63.40 3fa3 h ILE 142 Cb 0.51 1.02 -0.05 0.00 -3.07 0.00 0.00 36.82 35.22 3fa3 h ILE 142 CO 0.01 0.39 0.63 -0.09 -0.69 0.00 0.00 178.15 178.40 3fa3 h ARG 143 N 0.72 1.24 -0.83 2.37 2.43 0.25 -2.36 114.38 118.19 3fa3 h ARG 143 Ca 0.13 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3fa3 h ARG 143 Cb 0.55 -0.28 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 3fa3 h ARG 143 CO 0.03 0.82 0.55 0.00 -1.51 0.00 0.00 179.97 179.86 3fa3 h ALA 144 N 1.41 1.41 -0.01 2.80 0.00 -0.20 0.14 119.26 124.82 3fa3 h ALA 144 Ca 0.36 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3fa3 h ALA 144 Cb -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.34 3fa3 h ALA 144 CO -0.09 0.55 -0.01 0.00 0.00 0.00 0.00 179.25 179.70 3fa3 h ALA 145 N 1.48 0.01 0.02 0.00 0.00 -1.25 -1.32 119.26 118.20 3fa3 h ALA 145 Ca 0.30 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3fa3 h ALA 145 Cb -0.13 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3fa3 h ALA 145 CO -0.07 -0.19 -0.48 0.28 0.00 0.00 0.00 179.25 178.80 3fa3 h VAL 146 N -0.55 0.00 -0.73 0.00 2.07 -1.29 -1.49 116.25 114.26 3fa3 h VAL 146 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 3fa3 h VAL 146 Cb 0.60 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 3fa3 h VAL 146 CO 0.00 0.00 0.49 1.56 0.02 0.00 0.00 177.57 179.64 3fa3 h GLN 147 N -0.61 0.38 0.06 1.57 4.20 -0.73 -2.32 115.11 117.65 3fa3 h GLN 147 Ca 0.01 -0.02 -0.24 0.00 0.06 0.00 0.00 58.65 58.46 3fa3 h GLN 147 Cb 0.65 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3fa3 h GLN 147 CO -0.31 0.25 -1.09 0.00 -0.67 0.00 0.00 178.83 177.01 3fa3 h ALA 148 N 1.65 0.26 -0.31 3.87 0.00 -0.48 -1.84 119.26 122.41 3fa3 h ALA 148 Ca 0.35 -0.86 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 3fa3 h ALA 148 Cb 0.83 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3fa3 h ALA 148 CO -0.11 1.05 0.08 -0.09 0.00 0.00 0.00 179.25 180.18 3fa3 h ARG 149 N 0.06 0.50 0.00 0.00 2.43 -0.79 -2.74 114.38 113.85 3fa3 h ARG 149 Ca -0.08 -0.12 -0.18 0.00 -0.81 0.00 0.00 59.98 58.79 3fa3 h ARG 149 Cb 1.81 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 31.27 3fa3 h ARG 149 CO 0.17 0.57 -0.86 -0.56 -1.51 0.00 0.00 179.97 177.78 3fa3 h GLN 150 N 0.34 0.00 -0.58 0.20 3.07 -1.43 0.22 115.11 116.92 3fa3 h GLN 150 Ca 0.10 0.00 0.10 0.00 0.09 0.00 0.00 58.65 58.94 3fa3 h GLN 150 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.82 3fa3 h GLN 150 CO 0.00 0.86 0.39 -0.09 0.09 0.00 0.00 178.83 180.08 3fa3 h ARG 151 N 0.00 0.35 -0.05 0.06 2.43 -1.20 -2.93 114.38 113.04 3fa3 h ARG 151 Ca -0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3fa3 h ARG 151 Cb 1.57 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 3fa3 h ARG 151 CO 0.11 0.23 0.00 0.44 -1.51 0.00 0.00 179.97 179.24 3fa3 n ILE 152 N -4.46 0.03 -2.13 1.20 -5.35 -0.96 -4.97 119.36 102.72 3fa3 n ILE 152 Ca 0.10 -0.52 -0.05 0.00 -0.27 0.00 0.00 62.75 62.01 3fa3 n ILE 152 Cb 0.39 1.43 -0.00 0.00 -1.74 0.00 0.00 39.64 39.72 3fa3 n ILE 152 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fa3 n GLY 153 N 1.26 0.16 3.87 3.28 0.00 -0.76 -5.03 105.19 107.97 3fa3 n GLY 153 Ca 0.13 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3fa3 n GLY 153 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fa3 s SER 154 N -2.77 6.64 0.00 1.61 0.15 0.69 -4.97 113.70 115.05 3fa3 s SER 154 Ca 0.01 0.81 0.20 0.00 0.70 0.00 0.00 55.95 57.66 3fa3 s SER 154 Cb -0.00 -2.18 0.42 0.00 -1.71 0.00 0.00 66.02 62.55 3fa3 s SER 154 CO 0.01 0.12 1.35 0.47 1.20 0.00 0.00 173.24 176.39 3fa3 n ASP 155 N 0.66 3.35 -4.59 5.45 8.00 -1.26 -4.52 116.55 123.64 3fa3 n ASP 155 Ca -0.06 -1.95 -0.46 0.00 0.71 0.00 0.00 54.79 53.04 3fa3 n ASP 155 Cb 0.52 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.32 3fa3 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa3 n ILE 156 N 1.27 1.65 -2.76 0.53 3.06 -1.26 -4.53 119.36 117.31 3fa3 n ILE 156 Ca 0.18 -0.41 -0.42 0.00 -2.50 0.00 0.00 62.75 59.59 3fa3 n ILE 156 Cb 0.55 -0.96 -0.03 0.00 0.54 0.00 0.00 39.64 39.74 3fa3 n ILE 156 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3fa3 s VAL 157 N -0.77 4.69 -0.37 9.51 1.01 -0.46 -5.00 120.40 129.00 3fa3 s VAL 157 Ca 0.63 1.67 -0.21 0.00 0.00 0.00 0.00 61.98 64.07 3fa3 s VAL 157 Cb -0.74 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 31.38 3fa3 s VAL 157 CO 0.57 -0.25 0.69 -0.69 0.00 0.00 0.00 175.10 175.42 3fa3 s VAL 158 N 3.19 4.82 -0.34 2.92 1.01 -1.26 -0.06 120.40 130.69 3fa3 s VAL 158 Ca 0.40 0.60 -0.16 0.00 0.00 0.00 0.00 61.98 62.82 3fa3 s VAL 158 Cb -0.14 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 3fa3 s VAL 158 CO 0.10 -0.41 0.42 -0.63 0.00 0.00 0.00 175.10 174.58 3fa3 s ILE 159 N 2.87 5.11 -0.26 2.22 1.01 0.43 -1.21 121.20 131.39 3fa3 s ILE 159 Ca 0.26 0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.84 3fa3 s ILE 159 Cb -0.14 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.48 3fa3 s ILE 159 CO 0.16 -0.11 1.04 0.00 0.00 0.00 0.00 174.94 176.04 3fa3 s ALA 160 N 2.16 3.63 0.04 9.38 0.00 0.66 -2.54 121.76 135.09 3fa3 s ALA 160 Ca 0.15 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.23 3fa3 s ALA 160 Cb -0.16 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 3fa3 s ALA 160 CO 0.12 -1.16 0.03 0.50 0.00 0.00 0.00 175.76 175.25 3fa3 s ARG 161 N 3.31 2.81 -0.03 0.00 3.52 -0.60 0.21 118.95 128.17 3fa3 s ARG 161 Ca 0.44 -0.66 0.04 0.00 -0.13 0.00 0.00 55.73 55.42 3fa3 s ARG 161 Cb -0.14 -2.69 -0.00 0.00 -1.56 0.00 0.00 34.95 30.56 3fa3 s ARG 161 CO 0.09 0.60 -0.14 -0.08 -0.81 0.00 0.00 175.30 174.95 3fa3 s THR 162 N -1.23 1.20 -0.22 4.11 -1.32 -0.75 -3.48 115.64 113.95 3fa3 s THR 162 Ca 0.24 -0.61 0.15 0.00 -1.21 0.00 0.00 61.69 60.26 3fa3 s THR 162 Cb -0.12 -1.02 0.69 0.00 -1.51 0.00 0.00 72.50 70.54 3fa3 s THR 162 CO 0.16 0.35 1.62 0.47 -2.21 0.00 0.00 174.62 175.00 3fa3 n ASP 163 N 3.05 4.86 -0.16 8.08 8.00 -1.26 -2.32 116.55 136.80 3fa3 n ASP 163 Ca -0.17 -3.01 0.11 0.00 0.71 0.00 0.00 54.79 52.43 3fa3 n ASP 163 Cb 0.54 -0.63 0.11 0.00 -0.02 0.00 0.00 41.12 41.11 3fa3 n ASP 163 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3fa3 n SER 164 N 0.06 1.10 -0.14 -2.24 3.41 -1.26 -4.30 113.62 110.25 3fa3 n SER 164 Ca 0.26 -0.89 -0.03 0.00 -0.26 0.00 0.00 58.87 57.95 3fa3 n SER 164 Cb 1.09 0.51 0.05 0.00 -0.26 0.00 0.00 64.21 65.60 3fa3 n SER 164 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fa3 h LEU 165 N 0.79 -0.02 -1.63 1.04 5.85 -1.84 0.28 115.31 119.78 3fa3 h LEU 165 Ca 0.00 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3fa3 h LEU 165 Cb 0.56 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3fa3 h LEU 165 CO 0.00 0.02 0.21 0.06 -0.34 0.00 0.00 178.44 178.39 3fa3 h GLN 166 N 0.21 0.46 0.00 1.25 3.07 -1.90 -2.17 115.11 116.03 3fa3 h GLN 166 Ca 0.22 -0.03 -0.27 0.00 0.09 0.00 0.00 58.65 58.66 3fa3 h GLN 166 Cb 0.29 -0.10 -0.05 0.00 0.08 0.00 0.00 27.48 27.70 3fa3 h GLN 166 CO -0.30 0.32 -2.02 0.25 0.09 0.00 0.00 178.83 177.17 3fa3 n THR 167 N -4.47 1.02 0.31 1.86 -2.24 -1.13 -4.72 114.28 104.90 3fa3 n THR 167 Ca 0.02 -0.47 0.11 0.00 -2.27 0.00 0.00 64.05 61.44 3fa3 n THR 167 Cb 0.08 -0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 67.23 3fa3 n THR 167 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fa3 n HIS 168 N -2.87 0.17 0.00 4.78 8.25 0.98 -5.10 115.22 121.43 3fa3 n HIS 168 Ca -0.29 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 3fa3 n HIS 168 Cb 0.88 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.54 3fa3 n HIS 168 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 169 N 1.32 0.96 0.23 -1.41 0.00 -0.82 -4.41 105.19 101.06 3fa3 n GLY 169 Ca -0.01 -1.70 -0.01 0.00 0.00 0.00 0.00 46.02 44.30 3fa3 n GLY 169 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fa3 h TYR 170 N 0.00 -0.25 -0.03 1.61 3.20 -1.91 -1.21 116.97 118.38 3fa3 h TYR 170 Ca 0.00 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.94 3fa3 h TYR 170 Cb 0.00 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.41 3fa3 h TYR 170 CO 0.00 -0.23 -0.53 0.93 -1.64 0.00 0.00 178.16 176.68 3fa3 h GLU 171 N 0.02 -0.63 -0.73 1.82 4.39 -1.98 -1.57 114.58 115.90 3fa3 h GLU 171 Ca 0.29 0.04 0.15 0.00 0.34 0.00 0.00 59.36 60.18 3fa3 h GLU 171 Cb 0.45 0.14 -0.10 0.00 -0.10 0.00 0.00 28.75 29.14 3fa3 h GLU 171 CO -0.58 -0.42 0.25 1.49 -1.16 0.00 0.00 179.01 178.59 3fa3 h GLU 172 N -0.65 0.36 -0.88 2.33 4.57 -1.45 -1.26 114.58 117.60 3fa3 h GLU 172 Ca 0.02 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 3fa3 h GLU 172 Cb 0.71 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.16 3fa3 h GLU 172 CO -0.38 0.24 0.57 0.77 -1.18 0.00 0.00 179.01 179.03 3fa3 h SER 173 N 0.37 0.83 -0.05 1.04 0.02 -0.76 0.18 113.55 115.18 3fa3 h SER 173 Ca 0.41 0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 61.13 3fa3 h SER 173 Cb 0.64 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.03 3fa3 h SER 173 CO -0.44 0.52 -0.90 0.58 -1.14 0.00 0.00 176.83 175.45 3fa3 h VAL 174 N 0.94 1.28 -0.52 2.27 2.07 -0.42 -2.42 116.25 119.45 3fa3 h VAL 174 Ca 0.39 -2.12 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 3fa3 h VAL 174 Cb 0.29 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 3fa3 h VAL 174 CO -0.15 0.66 0.18 0.00 0.02 0.00 0.00 177.57 178.28 3fa3 h ALA 175 N 0.51 1.34 -0.11 1.67 0.00 0.05 0.06 119.26 122.78 3fa3 h ALA 175 Ca -0.09 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 3fa3 h ALA 175 Cb 1.54 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.13 3fa3 h ALA 175 CO 0.18 0.49 -0.58 0.00 0.00 0.00 0.00 179.25 179.34 3fa3 h ARG 176 N 0.75 0.58 -0.92 0.00 3.08 -0.70 -2.50 114.38 114.68 3fa3 h ARG 176 Ca 0.18 -0.48 0.15 0.00 0.07 0.00 0.00 59.98 59.90 3fa3 h ARG 176 Cb 0.19 0.10 -0.09 0.00 0.08 0.00 0.00 29.97 30.25 3fa3 h ARG 176 CO -0.01 1.10 0.52 -0.07 -1.07 0.00 0.00 179.97 180.44 3fa3 h LEU 177 N 0.21 0.68 0.53 3.04 3.38 -1.16 -1.74 115.31 120.25 3fa3 h LEU 177 Ca -0.04 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3fa3 h LEU 177 Cb 1.22 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3fa3 h LEU 177 CO 0.12 0.29 -0.40 0.03 0.09 0.00 0.00 178.44 178.58 3fa3 h ARG 178 N 0.74 -0.87 -0.88 1.13 3.08 -0.79 0.31 114.38 117.09 3fa3 h ARG 178 Ca 0.50 0.06 0.17 0.00 0.07 0.00 0.00 59.98 60.77 3fa3 h ARG 178 Cb 0.67 0.20 -0.16 0.00 0.08 0.00 0.00 29.97 30.76 3fa3 h ARG 178 CO -0.34 -0.58 -0.27 0.00 -1.07 0.00 0.00 179.97 177.71 3fa3 h ALA 179 N -0.59 0.44 -0.05 0.04 0.00 -1.29 -0.24 119.26 117.57 3fa3 h ALA 179 Ca -0.06 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3fa3 h ALA 179 Cb 0.76 0.75 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3fa3 h ALA 179 CO 0.02 -0.47 0.03 0.00 0.00 0.00 0.00 179.25 178.83 3fa3 h ALA 180 N 1.70 0.07 -0.74 0.00 0.00 -0.86 -0.75 119.26 118.68 3fa3 h ALA 180 Ca 0.39 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.40 3fa3 h ALA 180 Cb 0.63 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 3fa3 h ALA 180 CO -0.91 -0.41 0.32 -0.09 0.00 0.00 0.00 179.25 178.16 3fa3 h ARG 181 N 0.03 0.48 0.00 0.00 2.43 -0.23 0.16 114.38 117.25 3fa3 h ARG 181 Ca 0.02 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3fa3 h ARG 181 Cb 0.04 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3fa3 h ARG 181 CO -0.00 0.32 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.33 3fa3 h ASP 182 N 0.50 0.00 0.78 -3.80 3.32 -0.28 -2.56 116.42 114.38 3fa3 h ASP 182 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3fa3 h ASP 182 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3fa3 h ASP 182 CO -0.35 0.01 -1.11 0.00 -1.72 0.00 0.00 179.24 176.06 3fa3 n ALA 183 N -2.09 2.70 0.00 3.45 0.00 0.40 -4.92 120.51 120.04 3fa3 n ALA 183 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3fa3 n ALA 183 Cb 0.27 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3fa3 n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 184 N 1.23 0.91 3.70 0.00 0.00 -0.29 -4.62 105.19 106.13 3fa3 n GLY 184 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3fa3 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 s ALA 185 N -1.54 1.96 -0.11 4.61 0.00 -0.98 -4.93 121.76 120.77 3fa3 s ALA 185 Ca 0.00 0.94 0.09 0.00 0.00 0.00 0.00 51.96 52.99 3fa3 s ALA 185 Cb 0.00 -3.51 -0.24 0.00 0.00 0.00 0.00 23.12 19.37 3fa3 s ALA 185 CO 0.00 -2.13 0.40 -0.25 0.00 0.00 0.00 175.76 173.78 3fa3 n ASP 186 N -2.97 1.05 -3.81 0.00 8.00 -0.35 -4.73 116.55 113.75 3fa3 n ASP 186 Ca 0.14 0.24 -0.13 0.00 0.71 0.00 0.00 54.79 55.75 3fa3 n ASP 186 Cb 0.50 -0.04 -0.14 0.00 -0.02 0.00 0.00 41.12 41.42 3fa3 n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fa3 s VAL 187 N -2.56 -0.02 0.19 2.53 1.01 -1.19 -4.16 120.40 116.20 3fa3 s VAL 187 Ca -0.12 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 3fa3 s VAL 187 Cb 0.07 -0.13 -0.08 0.00 0.00 0.00 0.00 36.38 36.24 3fa3 s VAL 187 CO 0.80 0.03 0.65 -0.83 0.00 0.00 0.00 175.10 175.76 3fa3 s GLY 188 N 0.50 2.55 -0.41 4.51 0.00 -0.41 -0.25 107.32 113.83 3fa3 s GLY 188 Ca -0.04 0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.74 3fa3 s GLY 188 CO -0.02 0.37 0.22 -0.12 0.00 0.00 0.00 173.10 173.56 3fa3 s PHE 189 N -1.50 1.58 -0.62 1.90 5.99 0.13 -1.11 117.98 124.35 3fa3 s PHE 189 Ca 0.41 -2.15 -0.26 0.00 0.00 0.00 0.00 56.93 54.93 3fa3 s PHE 189 Cb -0.16 -1.58 0.04 0.00 0.00 0.00 0.00 43.02 41.32 3fa3 s PHE 189 CO 0.20 -0.80 1.09 -1.17 -0.00 0.00 0.00 175.22 174.54 3fa3 s LEU 190 N 0.62 3.77 0.07 6.12 0.20 -1.26 -1.81 118.68 126.39 3fa3 s LEU 190 Ca 0.17 -0.38 -0.31 0.00 0.69 0.00 0.00 54.13 54.31 3fa3 s LEU 190 Cb -0.24 -2.77 -0.07 0.00 -0.43 0.00 0.00 46.19 42.68 3fa3 s LEU 190 CO -0.00 -1.47 1.31 -0.70 -0.29 0.00 0.00 176.35 175.20 3fa3 s GLU 191 N 4.64 4.36 0.00 1.98 2.56 -0.98 -3.84 118.70 127.42 3fa3 s GLU 191 Ca 0.33 1.93 0.00 0.00 0.00 0.00 0.00 54.97 57.23 3fa3 s GLU 191 Cb -0.11 -3.35 0.00 0.00 2.00 0.00 0.00 34.13 32.67 3fa3 s GLU 191 CO 0.18 -0.39 0.00 0.41 -0.56 0.00 0.00 175.26 174.90 3fa3 n GLY 192 N 3.41 0.69 3.66 -1.50 0.00 -1.26 -4.73 105.19 105.46 3fa3 n GLY 192 Ca 0.11 -0.76 -0.51 0.00 0.00 0.00 0.00 46.02 44.86 3fa3 n GLY 192 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa3 n ILE 193 N -3.16 0.20 1.01 -0.61 5.41 -1.25 -4.79 119.36 116.18 3fa3 n ILE 193 Ca 0.00 -0.04 0.11 0.00 1.00 0.00 0.00 62.75 63.83 3fa3 n ILE 193 Cb 0.48 -1.31 0.14 0.00 -0.71 0.00 0.00 39.64 38.24 3fa3 n ILE 193 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3fa3 n THR 194 N 3.82 0.00 -3.76 1.39 -2.24 -1.26 -3.85 114.28 108.38 3fa3 n THR 194 Ca 0.21 -0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.91 3fa3 n THR 194 Cb 0.22 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 3fa3 n THR 194 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3fa3 s SER 195 N -2.97 -0.28 0.05 3.42 1.04 -1.26 -4.61 113.70 109.09 3fa3 s SER 195 Ca 0.11 -0.45 -0.19 0.00 0.48 0.00 0.00 55.95 55.91 3fa3 s SER 195 Cb 0.17 0.63 -0.13 0.00 0.10 0.00 0.00 66.02 66.79 3fa3 s SER 195 CO 0.74 -1.15 1.34 -0.09 0.98 0.00 0.00 173.24 175.06 3fa3 h ARG 196 N 2.00 0.47 -0.86 4.02 2.43 -1.95 -0.49 114.38 120.00 3fa3 h ARG 196 Ca -0.22 -0.27 0.17 0.00 -0.81 0.00 0.00 59.98 58.84 3fa3 h ARG 196 Cb 1.25 0.02 -0.16 0.00 -0.42 0.00 0.00 29.97 30.66 3fa3 h ARG 196 CO 0.26 0.86 -0.23 0.39 -1.51 0.00 0.00 179.97 179.74 3fa3 n GLU 197 N -4.43 -0.09 0.09 0.20 4.71 -1.26 -1.14 120.64 118.72 3fa3 n GLU 197 Ca -0.06 1.34 -0.16 0.00 -0.01 0.00 0.00 57.16 58.27 3fa3 n GLU 197 Cb 0.43 -1.99 -0.09 0.00 -1.01 0.00 0.00 31.44 28.77 3fa3 n GLU 197 CO 0.00 0.00 0.00 1.98 0.09 0.00 0.00 177.13 179.20 3fa3 h MET 198 N 0.00 0.40 0.68 3.49 -1.53 -1.88 -1.59 114.93 114.50 3fa3 h MET 198 Ca 0.40 -0.52 -0.03 0.00 -3.44 0.00 0.00 59.70 56.11 3fa3 h MET 198 Cb 0.61 0.17 -0.00 0.00 -0.55 0.00 0.00 31.60 31.83 3fa3 h MET 198 CO -0.88 1.20 -0.42 0.00 0.14 0.00 0.00 176.91 176.94 3fa3 h ALA 199 N 0.60 -1.07 -0.97 0.39 0.00 0.47 -0.63 119.26 118.05 3fa3 h ALA 199 Ca -0.12 -0.21 0.24 0.00 0.00 0.00 0.00 54.91 54.82 3fa3 h ALA 199 Cb 1.78 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 20.02 3fa3 h ALA 199 CO 0.19 -1.12 0.64 0.00 0.00 0.00 0.00 179.25 178.96 3fa3 h ARG 200 N -1.04 0.36 -0.07 0.00 3.08 -1.22 -3.13 114.38 112.37 3fa3 h ARG 200 Ca -0.09 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 3fa3 h ARG 200 Cb 0.84 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.81 3fa3 h ARG 200 CO 0.08 0.24 -0.39 0.37 -1.07 0.00 0.00 179.97 179.20 3fa3 h GLN 201 N 0.37 0.38 0.30 0.04 5.75 -0.66 -2.80 115.11 118.48 3fa3 h GLN 201 Ca 0.52 -0.32 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 3fa3 h GLN 201 Cb 1.38 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.98 3fa3 h GLN 201 CO -0.20 0.97 -0.29 -0.39 -2.65 0.00 0.00 178.83 176.26 3fa3 h VAL 202 N -0.10 0.00 -0.49 2.39 -1.51 -1.08 -1.52 116.25 113.94 3fa3 h VAL 202 Ca -0.03 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.52 3fa3 h VAL 202 Cb 1.05 0.00 -0.08 0.00 -2.13 0.00 0.00 31.29 30.13 3fa3 h VAL 202 CO 0.08 0.00 -0.18 -0.38 -1.23 0.00 0.00 177.57 175.86 3fa3 n ILE 203 N -4.12 -0.25 0.10 7.19 5.41 -1.20 0.15 119.36 126.63 3fa3 n ILE 203 Ca -0.07 1.15 -0.13 0.00 1.00 0.00 0.00 62.75 64.70 3fa3 n ILE 203 Cb 0.27 -1.53 -0.08 0.00 -0.71 0.00 0.00 39.64 37.58 3fa3 n ILE 203 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3fa3 h GLN 204 N 0.00 -0.21 -0.22 0.38 5.75 -1.20 0.88 115.11 120.50 3fa3 h GLN 204 Ca 0.18 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.71 3fa3 h GLN 204 Cb 0.30 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 3fa3 h GLN 204 CO -0.49 0.04 0.15 -0.44 -2.65 0.00 0.00 178.83 175.44 3fa3 h ASP 205 N -0.45 0.19 -0.47 -0.69 3.32 0.39 -1.80 116.42 116.92 3fa3 h ASP 205 Ca -0.02 -0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.74 3fa3 h ASP 205 Cb 0.35 -0.05 -0.18 0.00 0.22 0.00 0.00 39.33 39.68 3fa3 h ASP 205 CO 0.04 0.14 -0.13 0.18 -1.72 0.00 0.00 179.24 177.74 3fa3 n LEU 206 N -4.50 4.56 -4.64 1.55 4.77 0.12 -5.06 117.00 113.80 3fa3 n LEU 206 Ca 0.01 -4.01 -0.40 0.00 -0.03 0.00 0.00 56.01 51.58 3fa3 n LEU 206 Cb 0.13 -0.62 0.02 0.00 -2.33 0.00 0.00 43.42 40.62 3fa3 n LEU 206 CO 0.35 1.44 0.67 0.00 -1.33 0.00 0.00 177.39 178.51 3fa3 n ALA 207 N -1.04 0.51 0.00 -1.18 0.00 0.29 -2.45 120.51 116.64 3fa3 n ALA 207 Ca 0.38 0.19 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3fa3 n ALA 207 Cb 0.99 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3fa3 n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 208 N 1.09 1.77 3.04 0.00 0.00 -1.26 -5.05 105.19 104.79 3fa3 n GLY 208 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3fa3 n GLY 208 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fa3 s TRP 209 N -2.49 2.10 0.33 1.61 -0.00 -1.03 -5.10 118.94 114.36 3fa3 s TRP 209 Ca 0.00 -1.09 -0.29 0.00 -0.00 0.00 0.00 56.10 54.72 3fa3 s TRP 209 Cb 0.00 -1.53 -0.11 0.00 -0.00 0.00 0.00 33.47 31.83 3fa3 s TRP 209 CO 0.00 -0.58 1.49 -2.14 -0.00 0.00 0.00 176.95 175.72 3fa3 s PRO 210 N 1.24 4.16 0.13 5.86 0.02 -1.26 -4.82 135.00 140.33 3fa3 s PRO 210 Ca -0.01 2.50 0.10 0.00 0.02 0.00 0.00 61.00 63.61 3fa3 s PRO 210 Cb -0.14 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.33 3fa3 s PRO 210 CO -0.06 -0.50 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.35 3fa3 s LEU 211 N -1.42 2.33 -0.11 -5.54 1.43 -1.26 -1.28 118.68 112.83 3fa3 s LEU 211 Ca 0.56 -0.75 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 3fa3 s LEU 211 Cb -0.45 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 3fa3 s LEU 211 CO 0.55 0.13 0.13 -0.22 0.23 0.00 0.00 176.35 177.17 3fa3 s LEU 212 N -2.12 4.29 -0.20 1.79 0.20 -0.27 -0.66 118.68 121.71 3fa3 s LEU 212 Ca 0.13 0.42 -0.06 0.00 0.69 0.00 0.00 54.13 55.30 3fa3 s LEU 212 Cb -0.10 -2.07 -0.03 0.00 -0.43 0.00 0.00 46.19 43.56 3fa3 s LEU 212 CO 0.06 0.40 0.04 -0.22 -0.29 0.00 0.00 176.35 176.34 3fa3 s LEU 213 N -1.07 3.53 -0.57 -0.68 2.96 -0.05 -4.42 118.68 118.37 3fa3 s LEU 213 Ca 0.16 -0.08 -0.20 0.00 -0.22 0.00 0.00 54.13 53.78 3fa3 s LEU 213 Cb -0.12 -1.90 0.08 0.00 0.50 0.00 0.00 46.19 44.74 3fa3 s LEU 213 CO 0.05 0.09 0.76 0.21 -1.32 0.00 0.00 176.35 176.14 3fa3 s ASN 214 N 0.84 6.21 -1.16 3.68 2.47 -1.26 -1.96 114.94 123.75 3fa3 s ASN 214 Ca 0.02 -1.07 -0.07 0.00 0.42 0.00 0.00 52.86 52.16 3fa3 s ASN 214 Cb -0.14 -2.34 0.25 0.00 -1.45 0.00 0.00 41.25 37.57 3fa3 s ASN 214 CO 0.02 -1.12 1.55 0.80 -3.72 0.00 0.00 177.10 174.62 3fa3 n MET 215 N 6.68 3.96 -3.13 0.43 0.00 0.20 -4.87 117.12 120.39 3fa3 n MET 215 Ca -0.06 -4.15 -0.41 0.00 -0.00 0.00 0.00 57.70 53.08 3fa3 n MET 215 Cb 0.44 -2.70 -0.07 0.00 0.00 0.00 0.00 33.22 30.90 3fa3 n MET 215 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3fa3 s VAL 216 N -1.12 4.97 0.45 1.12 1.01 -1.26 -4.47 120.40 121.10 3fa3 s VAL 216 Ca 0.35 0.93 -0.20 0.00 0.00 0.00 0.00 61.98 63.06 3fa3 s VAL 216 Cb 0.03 -3.96 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 3fa3 s VAL 216 CO 0.04 -0.07 0.96 -1.61 0.00 0.00 0.00 175.10 174.42 3fa3 s GLU 217 N 2.54 4.14 -1.36 2.72 2.02 -1.26 -4.12 118.70 123.39 3fa3 s GLU 217 Ca 0.25 1.10 -0.01 0.00 0.02 0.00 0.00 54.97 56.32 3fa3 s GLU 217 Cb -0.15 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 31.91 3fa3 s GLU 217 CO 0.11 -0.10 0.15 0.72 0.02 0.00 0.00 175.26 176.15 3fa3 n HIS 218 N -0.87 -1.02 0.00 1.61 8.25 -1.26 -4.95 115.22 116.98 3fa3 n HIS 218 Ca 0.07 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 3fa3 n HIS 218 Cb 0.54 -3.48 0.00 0.00 1.12 0.00 0.00 29.99 28.17 3fa3 n HIS 218 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 219 N -1.12 2.16 0.02 -1.41 0.00 -1.26 -5.02 105.19 98.55 3fa3 n GLY 219 Ca -0.16 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 45.94 3fa3 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 n ALA 220 N -3.00 3.01 -2.86 4.61 0.00 -1.26 -4.91 120.51 116.09 3fa3 n ALA 220 Ca 0.00 -0.24 -0.34 0.00 0.00 0.00 0.00 53.44 52.86 3fa3 n ALA 220 Cb 0.00 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.08 3fa3 n ALA 220 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fa3 s THR 221 N -3.03 3.72 0.65 0.00 2.01 -1.25 -4.33 115.64 113.41 3fa3 s THR 221 Ca 0.11 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.55 3fa3 s THR 221 Cb 0.17 -2.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 3fa3 s THR 221 CO 0.65 0.53 1.05 -2.16 -0.69 0.00 0.00 174.62 174.00 3fa3 s PRO 222 N 0.00 3.17 -0.36 4.92 0.04 -1.26 -4.53 135.00 136.99 3fa3 s PRO 222 Ca -0.00 0.97 -0.29 0.00 0.04 0.00 0.00 61.00 61.72 3fa3 s PRO 222 Cb -0.13 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3fa3 s PRO 222 CO 0.03 -0.92 1.45 -1.12 0.04 0.00 0.00 177.00 176.49 3fa3 s SER 223 N -3.63 6.36 -0.16 6.66 0.01 -1.26 -4.98 113.70 116.70 3fa3 s SER 223 Ca 0.59 1.05 -0.00 0.00 1.31 0.00 0.00 55.95 58.89 3fa3 s SER 223 Cb -0.14 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.55 3fa3 s SER 223 CO 0.50 -1.37 -0.14 -0.63 0.41 0.00 0.00 173.24 172.02 3fa3 s ILE 224 N 5.34 2.75 0.77 1.44 1.01 -1.26 -5.12 121.20 126.13 3fa3 s ILE 224 Ca 0.63 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 3fa3 s ILE 224 Cb -0.16 -2.18 0.05 0.00 0.01 0.00 0.00 42.46 40.18 3fa3 s ILE 224 CO 0.30 0.50 1.08 -0.94 0.00 0.00 0.00 174.94 175.89 3fa3 s SER 225 N 0.91 4.67 0.07 3.58 1.04 -1.26 -4.87 113.70 117.84 3fa3 s SER 225 Ca -0.03 1.47 -0.32 0.00 0.48 0.00 0.00 55.95 57.55 3fa3 s SER 225 Cb -0.15 -2.25 -0.18 0.00 0.10 0.00 0.00 66.02 63.54 3fa3 s SER 225 CO -0.01 -1.88 1.63 0.00 0.98 0.00 0.00 173.24 173.96 3fa3 h ALA 226 N -1.02 -0.84 -1.10 5.32 0.00 -2.00 -0.74 119.26 118.89 3fa3 h ALA 226 Ca -0.46 -0.18 0.31 0.00 0.00 0.00 0.00 54.91 54.58 3fa3 h ALA 226 Cb 1.25 0.34 -0.11 0.00 0.00 0.00 0.00 17.79 19.28 3fa3 h ALA 226 CO 0.57 -0.98 0.70 0.00 0.00 0.00 0.00 179.25 179.55 3fa3 h ALA 227 N -0.45 2.31 -0.03 0.00 0.00 -1.99 0.31 119.26 119.40 3fa3 h ALA 227 Ca -0.08 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3fa3 h ALA 227 Cb 0.65 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3fa3 h ALA 227 CO 0.13 -0.78 -0.24 1.49 0.00 0.00 0.00 179.25 179.85 3fa3 h GLU 228 N 0.33 0.21 -0.92 0.00 4.81 -1.83 -1.81 114.58 115.36 3fa3 h GLU 228 Ca 0.65 -0.19 0.09 0.00 -0.13 0.00 0.00 59.36 59.78 3fa3 h GLU 228 Cb 1.74 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 31.09 3fa3 h GLU 228 CO -0.35 0.87 0.57 0.00 -0.73 0.00 0.00 179.01 179.37 3fa3 h ALA 229 N 0.35 1.33 0.83 2.92 0.00 0.47 0.53 119.26 125.68 3fa3 h ALA 229 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3fa3 h ALA 229 Cb 0.93 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3fa3 h ALA 229 CO 0.05 0.24 -0.46 -0.22 0.00 0.00 0.00 179.25 178.86 3fa3 h LYS 230 N 0.97 -1.15 -0.77 0.00 3.64 -0.41 -1.41 116.57 117.44 3fa3 h LYS 230 Ca 0.43 0.08 0.17 0.00 -1.27 0.00 0.00 60.65 60.06 3fa3 h LYS 230 Cb 0.32 0.26 -0.11 0.00 -0.41 0.00 0.00 32.23 32.29 3fa3 h LYS 230 CO -0.22 -0.77 0.23 1.49 -2.27 0.00 0.00 179.45 177.91 3fa3 h GLU 231 N -1.19 0.30 -0.49 1.90 4.22 -1.18 0.82 114.58 118.97 3fa3 h GLU 231 Ca -0.11 -0.02 0.14 0.00 0.08 0.00 0.00 59.36 59.45 3fa3 h GLU 231 Cb 0.94 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 3fa3 h GLU 231 CO 0.15 0.20 0.38 0.52 -2.18 0.00 0.00 179.01 178.07 3fa3 h MET 232 N 0.31 0.00 0.00 1.92 2.86 -0.77 -3.46 114.93 115.79 3fa3 h MET 232 Ca 0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 3fa3 h MET 232 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 3fa3 h MET 232 CO -0.50 0.00 0.00 0.41 1.06 0.00 0.00 176.91 177.88 3fa3 n GLY 233 N -1.60 1.47 3.84 8.32 0.00 0.28 -4.90 105.19 112.60 3fa3 n GLY 233 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3fa3 n GLY 233 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa3 s PHE 234 N -2.00 3.17 -0.06 1.61 0.40 -0.57 -4.73 117.98 115.79 3fa3 s PHE 234 Ca 0.00 1.19 0.10 0.00 -0.60 0.00 0.00 56.93 57.62 3fa3 s PHE 234 Cb 0.00 -2.99 -0.15 0.00 0.51 0.00 0.00 43.02 40.39 3fa3 s PHE 234 CO 0.00 -1.31 0.13 0.54 0.70 0.00 0.00 175.22 175.29 3fa3 n ARG 235 N -3.13 1.38 -4.11 0.44 5.12 0.17 -4.66 116.66 111.87 3fa3 n ARG 235 Ca 0.07 -0.05 -0.15 0.00 -1.93 0.00 0.00 57.85 55.79 3fa3 n ARG 235 Cb 0.56 -1.27 -0.13 0.00 -1.16 0.00 0.00 32.46 30.46 3fa3 n ARG 235 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3fa3 s ILE 236 N -2.50 0.45 -0.11 0.55 1.01 -1.18 0.51 121.20 119.94 3fa3 s ILE 236 Ca -0.05 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3fa3 s ILE 236 Cb 0.05 -0.44 0.02 0.00 0.01 0.00 0.00 42.46 42.10 3fa3 s ILE 236 CO 0.44 -0.09 -0.11 -0.51 0.00 0.00 0.00 174.94 174.68 3fa3 s ILE 237 N -0.63 1.21 0.25 2.92 2.07 -0.60 -0.87 121.20 125.55 3fa3 s ILE 237 Ca -0.03 -0.43 0.05 0.00 -1.41 0.00 0.00 60.65 58.84 3fa3 s ILE 237 Cb -0.05 -1.17 -0.03 0.00 0.13 0.00 0.00 42.46 41.34 3fa3 s ILE 237 CO 0.00 0.39 0.35 0.27 -1.91 0.00 0.00 174.94 174.04 3fa3 s ILE 238 N 1.42 5.06 -0.42 2.00 -4.36 -0.83 -1.65 121.20 122.42 3fa3 s ILE 238 Ca 0.01 -1.05 0.06 0.00 -0.26 0.00 0.00 60.65 59.41 3fa3 s ILE 238 Cb -0.13 -3.77 0.20 0.00 1.25 0.00 0.00 42.46 40.01 3fa3 s ILE 238 CO -0.06 -0.32 0.42 0.49 0.24 0.00 0.00 174.94 175.71 3fa3 n PHE 239 N -1.40 -0.45 -0.37 1.37 3.01 -1.18 0.62 117.46 119.07 3fa3 n PHE 239 Ca -0.08 -3.46 0.31 0.00 1.01 0.00 0.00 57.45 55.23 3fa3 n PHE 239 Cb 0.57 -0.02 0.58 0.00 -0.01 0.00 0.00 39.48 40.60 3fa3 n PHE 239 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3fa3 h PRO 240 N 4.97 0.12 -0.62 -1.08 0.11 -1.88 0.14 132.00 133.76 3fa3 h PRO 240 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3fa3 h PRO 240 Cb 0.89 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3fa3 h PRO 240 CO 0.43 0.08 0.00 1.19 -0.21 0.00 0.00 178.00 179.49 3fa3 n PHE 241 N -5.00 0.83 -0.34 0.65 0.99 -1.26 -4.39 117.46 108.93 3fa3 n PHE 241 Ca 0.36 -0.46 0.12 0.00 -0.00 0.00 0.00 57.45 57.47 3fa3 n PHE 241 Cb 1.24 -0.00 0.25 0.00 -1.00 0.00 0.00 39.48 39.97 3fa3 n PHE 241 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3fa3 h ALA 242 N 3.93 1.03 0.02 4.37 0.00 -1.48 -1.44 119.26 125.69 3fa3 h ALA 242 Ca 0.00 0.34 -0.36 0.00 0.00 0.00 0.00 54.91 54.90 3fa3 h ALA 242 Cb 0.94 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 19.29 3fa3 h ALA 242 CO 0.00 -0.52 -2.22 0.00 0.00 0.00 0.00 179.25 176.51 3fa3 n ALA 243 N -3.23 1.40 -0.02 0.00 0.00 -1.20 -4.51 120.51 112.96 3fa3 n ALA 243 Ca 0.21 -1.06 -0.13 0.00 0.00 0.00 0.00 53.44 52.46 3fa3 n ALA 243 Cb 0.68 -0.37 -0.10 0.00 0.00 0.00 0.00 19.45 19.67 3fa3 n ALA 243 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3fa3 h LEU 244 N 0.01 0.01 -0.39 0.00 6.46 -1.68 -0.84 115.31 118.88 3fa3 h LEU 244 Ca -0.49 -0.49 0.06 0.00 -0.12 0.00 0.00 57.88 56.84 3fa3 h LEU 244 Cb 2.08 -0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 41.92 3fa3 h LEU 244 CO 0.02 0.50 -0.49 1.23 -0.62 0.00 0.00 178.44 179.08 3fa3 h GLY 245 N -0.48 -0.77 1.45 3.75 0.00 -1.56 0.13 103.07 105.59 3fa3 h GLY 245 Ca 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 47.33 47.95 3fa3 h GLY 245 CO 0.00 -0.16 0.29 -2.55 0.00 0.00 0.00 176.54 174.12 3fa3 h PRO 246 N -0.38 0.73 -0.09 4.80 0.11 -1.75 -1.12 132.00 134.30 3fa3 h PRO 246 Ca 0.11 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 3fa3 h PRO 246 Cb 0.60 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3fa3 h PRO 246 CO -0.58 0.54 -0.45 0.00 -0.21 0.00 0.00 178.00 177.30 3fa3 h ALA 247 N 1.58 1.08 -0.20 -0.75 0.00 -0.42 -1.53 119.26 119.02 3fa3 h ALA 247 Ca 0.19 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 3fa3 h ALA 247 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3fa3 h ALA 247 CO -0.03 0.61 -0.63 0.28 0.00 0.00 0.00 179.25 179.49 3fa3 h VAL 248 N 0.17 1.30 -0.03 0.00 2.07 -0.11 -1.67 116.25 117.99 3fa3 h VAL 248 Ca 0.01 -1.86 -0.00 0.00 0.82 0.00 0.00 66.70 65.66 3fa3 h VAL 248 Cb 0.87 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3fa3 h VAL 248 CO 0.07 0.59 0.01 0.00 0.02 0.00 0.00 177.57 178.25 3fa3 h ALA 249 N 0.78 0.04 -0.40 1.67 0.00 -1.03 -1.99 119.26 118.34 3fa3 h ALA 249 Ca -0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3fa3 h ALA 249 Cb 1.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3fa3 h ALA 249 CO 0.13 -0.33 -0.14 0.00 0.00 0.00 0.00 179.25 178.91 3fa3 h ALA 250 N 0.76 1.02 -0.07 0.00 0.00 -1.27 -1.46 119.26 118.24 3fa3 h ALA 250 Ca 0.01 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 3fa3 h ALA 250 Cb 0.26 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3fa3 h ALA 250 CO 0.00 0.59 -0.77 0.52 0.00 0.00 0.00 179.25 179.59 3fa3 h MET 251 N 0.65 0.43 -0.13 0.00 2.86 -1.28 -0.44 114.93 117.02 3fa3 h MET 251 Ca 0.11 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 3fa3 h MET 251 Cb 0.60 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 3fa3 h MET 251 CO 0.04 1.01 0.02 -0.09 1.06 0.00 0.00 176.91 178.95 3fa3 h ARG 252 N 0.29 0.21 -0.35 1.72 2.43 -1.07 0.16 114.38 117.78 3fa3 h ARG 252 Ca -0.04 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3fa3 h ARG 252 Cb 1.36 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.80 3fa3 h ARG 252 CO 0.13 0.41 -0.52 1.49 -1.51 0.00 0.00 179.97 179.98 3fa3 h GLU 253 N -0.02 -0.40 -0.48 0.20 4.57 -1.22 -1.28 114.58 115.95 3fa3 h GLU 253 Ca 0.04 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 3fa3 h GLU 253 Cb 0.30 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 3fa3 h GLU 253 CO 0.00 -0.27 0.02 0.00 -1.18 0.00 0.00 179.01 177.58 3fa3 h ALA 254 N 0.04 0.64 -0.63 2.92 0.00 -0.60 -0.82 119.26 120.82 3fa3 h ALA 254 Ca 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3fa3 h ALA 254 Cb 0.61 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3fa3 h ALA 254 CO -0.56 0.42 0.26 0.52 0.00 0.00 0.00 179.25 179.90 3fa3 h MET 255 N 0.68 0.91 -0.50 0.00 2.86 -0.64 0.74 114.93 118.98 3fa3 h MET 255 Ca 0.14 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3fa3 h MET 255 Cb 0.48 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3fa3 h MET 255 CO 0.02 0.74 0.18 0.93 1.06 0.00 0.00 176.91 179.84 3fa3 h GLU 256 N 0.90 0.77 0.17 1.72 3.07 -0.49 -1.58 114.58 119.14 3fa3 h GLU 256 Ca 0.21 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 3fa3 h GLU 256 Cb 0.16 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3fa3 h GLU 256 CO -0.02 0.70 -0.08 -0.22 -1.40 0.00 0.00 179.01 177.99 3fa3 h LYS 257 N 0.68 -0.22 -0.52 2.33 3.64 -0.69 -2.66 116.57 119.13 3fa3 h LYS 257 Ca 0.17 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.66 3fa3 h LYS 257 Cb 0.24 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.00 3fa3 h LYS 257 CO -0.01 -0.09 -0.21 1.25 -2.27 0.00 0.00 179.45 178.12 3fa3 h LEU 258 N -0.29 -0.74 -0.70 5.20 5.85 -0.84 0.37 115.31 124.16 3fa3 h LEU 258 Ca -0.02 0.18 0.12 0.00 0.84 0.00 0.00 57.88 59.00 3fa3 h LEU 258 Cb 0.22 0.41 -0.08 0.00 0.37 0.00 0.00 40.66 41.58 3fa3 h LEU 258 CO 0.04 -0.24 0.28 0.11 -0.34 0.00 0.00 178.44 178.29 3fa3 h LYS 259 N -0.09 0.44 0.04 1.25 1.79 -1.03 0.68 116.57 119.65 3fa3 h LYS 259 Ca 0.24 -0.03 -0.26 0.00 -2.18 0.00 0.00 60.65 58.42 3fa3 h LYS 259 Cb 0.47 -0.10 0.02 0.00 -1.58 0.00 0.00 32.23 31.04 3fa3 h LYS 259 CO -0.58 0.29 -1.06 0.00 -1.08 0.00 0.00 179.45 177.02 3fa3 h ARG 260 N 0.45 0.64 0.03 3.15 3.08 -1.04 -3.38 114.38 117.31 3fa3 h ARG 260 Ca 0.37 -0.75 -0.29 0.00 0.07 0.00 0.00 59.98 59.38 3fa3 h ARG 260 Cb 0.51 0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 3fa3 h ARG 260 CO -0.36 1.32 -1.65 -0.44 -1.07 0.00 0.00 179.97 177.78 3fa3 h ASP 261 N 0.29 0.08 0.00 7.04 3.32 0.16 -3.48 116.42 123.83 3fa3 h ASP 261 Ca -0.14 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3fa3 h ASP 261 Cb 1.73 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.25 3fa3 h ASP 261 CO 0.21 1.14 0.00 0.61 -1.72 0.00 0.00 179.24 179.48 3fa3 n GLY 262 N 1.59 0.71 3.31 2.75 0.00 0.23 -4.96 105.19 108.83 3fa3 n GLY 262 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 3fa3 n GLY 262 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fa3 s ILE 263 N -2.98 -0.01 0.38 -0.61 1.10 -1.26 -5.07 121.20 112.75 3fa3 s ILE 263 Ca 0.00 0.05 0.12 0.00 -0.51 0.00 0.00 60.65 60.31 3fa3 s ILE 263 Cb 0.00 -0.62 0.11 0.00 0.15 0.00 0.00 42.46 42.10 3fa3 s ILE 263 CO 0.00 0.02 1.86 -0.65 -2.11 0.00 0.00 174.94 174.06 3fa3 h PRO 264 N 6.37 0.06 -5.72 3.50 0.11 -1.93 -3.43 132.00 130.96 3fa3 h PRO 264 Ca -0.32 -0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.45 3fa3 h PRO 264 Cb 1.18 -0.00 0.15 0.00 0.11 0.00 0.00 31.00 32.44 3fa3 h PRO 264 CO 0.26 0.36 -0.87 0.41 -0.21 0.00 0.00 178.00 177.96 3fa3 n GLY 265 N -0.59 -0.94 3.77 -0.55 0.00 -1.26 -4.74 105.19 100.87 3fa3 n GLY 265 Ca -0.02 0.45 -0.38 0.00 0.00 0.00 0.00 46.02 46.08 3fa3 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fa3 s LEU 266 N -5.89 4.09 0.37 0.99 2.01 -1.26 -4.96 118.68 114.03 3fa3 s LEU 266 Ca 0.36 2.39 -0.26 0.00 0.01 0.00 0.00 54.13 56.63 3fa3 s LEU 266 Cb -0.07 -4.13 -0.12 0.00 0.01 0.00 0.00 46.19 41.88 3fa3 s LEU 266 CO 0.77 -0.87 1.12 -0.67 1.01 0.00 0.00 176.35 177.72 3fa3 n ASP 267 N -0.26 1.85 0.09 2.29 -0.08 -1.26 -4.82 116.55 114.36 3fa3 n ASP 267 Ca 0.06 1.12 0.20 0.00 -1.51 0.00 0.00 54.79 54.66 3fa3 n ASP 267 Cb 0.47 -1.40 0.75 0.00 2.34 0.00 0.00 41.12 43.28 3fa3 n ASP 267 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3fa3 h LYS 268 N 1.97 0.00 0.00 -0.67 3.64 -2.04 -1.41 116.57 118.06 3fa3 h LYS 268 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3fa3 h LYS 268 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3fa3 h LYS 268 CO 0.59 0.00 0.00 1.49 -2.27 0.00 0.00 179.45 179.26 3fa3 h GLU 269 N 0.00 0.00 -2.19 1.90 4.81 -2.04 -3.30 114.58 113.76 3fa3 h GLU 269 Ca 0.19 0.00 -0.78 0.00 -0.13 0.00 0.00 59.36 58.65 3fa3 h GLU 269 Cb 1.04 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 30.13 3fa3 h GLU 269 CO -0.00 0.00 0.85 -0.12 -0.73 0.00 0.00 179.01 179.01 3fa3 n MET 270 N -2.51 4.69 -0.92 1.92 1.56 -0.53 -4.73 117.12 116.60 3fa3 n MET 270 Ca -0.00 -4.46 -0.32 0.00 -0.27 0.00 0.00 57.70 52.65 3fa3 n MET 270 Cb 0.16 -2.41 0.14 0.00 2.15 0.00 0.00 33.22 33.26 3fa3 n MET 270 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3fa3 s THR 271 N -4.52 2.35 0.16 1.12 -4.23 -1.25 -4.91 115.64 104.36 3fa3 s THR 271 Ca 0.43 0.12 -0.22 0.00 -1.18 0.00 0.00 61.69 60.83 3fa3 s THR 271 Cb 0.25 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.83 3fa3 s THR 271 CO -0.19 -0.14 1.60 -0.65 -0.54 0.00 0.00 174.62 174.71 3fa3 h PRO 272 N -1.48 -0.23 -0.49 3.99 0.11 -1.97 -2.44 132.00 129.50 3fa3 h PRO 272 Ca -0.44 0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.79 3fa3 h PRO 272 Cb 1.27 0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.33 3fa3 h PRO 272 CO 0.45 -0.15 -0.13 1.96 -0.21 0.00 0.00 178.00 179.91 3fa3 h GLN 273 N -0.24 -0.01 -0.89 1.05 7.50 -1.94 0.12 115.11 120.71 3fa3 h GLN 273 Ca 0.17 0.00 0.22 0.00 0.50 0.00 0.00 58.65 59.55 3fa3 h GLN 273 Cb 0.52 0.00 -0.16 0.00 0.05 0.00 0.00 27.48 27.90 3fa3 h GLN 273 CO -0.52 -0.01 0.03 1.98 -1.50 0.00 0.00 178.83 178.81 3fa3 h MET 274 N -0.01 0.07 0.01 1.46 4.05 -1.75 0.11 114.93 118.87 3fa3 h MET 274 Ca 0.24 -0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.42 3fa3 h MET 274 Cb 0.37 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.12 3fa3 h MET 274 CO -0.51 0.04 -1.11 -0.07 0.23 0.00 0.00 176.91 175.49 3fa3 h LEU 275 N 0.07 0.05 -0.44 3.39 3.38 -0.39 -2.94 115.31 118.43 3fa3 h LEU 275 Ca 0.52 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 58.26 3fa3 h LEU 275 Cb 0.99 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3fa3 h LEU 275 CO -0.80 1.04 -0.76 -0.26 0.09 0.00 0.00 178.44 177.76 3fa3 h PHE 276 N 0.01 0.32 -0.37 1.13 0.05 -0.28 -2.88 116.94 114.91 3fa3 h PHE 276 Ca -0.06 -0.15 -0.03 0.00 3.82 0.00 0.00 57.97 61.55 3fa3 h PHE 276 Cb 1.82 -0.05 -0.02 0.00 2.00 0.00 0.00 35.95 39.71 3fa3 h PHE 276 CO 0.01 0.90 0.10 0.00 -0.18 0.00 0.00 178.31 179.13 3fa3 h ARG 277 N 0.15 0.53 0.00 1.51 3.08 -0.68 0.42 114.38 119.39 3fa3 h ARG 277 Ca -0.03 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3fa3 h ARG 277 Cb 1.33 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 3fa3 h ARG 277 CO 0.12 0.49 -0.06 0.28 -1.07 0.00 0.00 179.97 179.73 3fa3 h VAL 278 N 0.53 0.79 -0.82 2.04 2.07 -1.34 -2.69 116.25 116.83 3fa3 h VAL 278 Ca 0.12 -0.21 -0.45 0.00 0.82 0.00 0.00 66.70 66.98 3fa3 h VAL 278 Cb 0.19 1.12 -0.26 0.00 -1.52 0.00 0.00 31.29 30.83 3fa3 h VAL 278 CO -0.01 0.06 0.44 0.00 0.02 0.00 0.00 177.57 178.08 3fa3 n GLY 280 N -1.11 0.71 0.37 0.00 0.00 -0.90 -4.98 105.19 99.29 3fa3 n GLY 280 Ca 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.46 3fa3 n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fa3 h LEU 281 N 0.00 -1.28 -0.94 0.99 5.85 -1.64 0.20 115.31 118.49 3fa3 h LEU 281 Ca 0.00 0.21 0.19 0.00 0.84 0.00 0.00 57.88 59.11 3fa3 h LEU 281 Cb 0.00 0.57 -0.18 0.00 0.37 0.00 0.00 40.66 41.42 3fa3 h LEU 281 CO 0.00 -0.35 -0.24 0.44 -0.34 0.00 0.00 178.44 177.95 3fa3 h ASP 282 N -0.31 -0.88 -0.14 1.25 3.45 -1.86 0.20 116.42 118.13 3fa3 h ASP 282 Ca 0.15 0.28 -0.18 0.00 0.43 0.00 0.00 57.03 57.71 3fa3 h ASP 282 Cb 0.57 0.58 -0.00 0.00 -0.56 0.00 0.00 39.33 39.92 3fa3 h ASP 282 CO -0.55 -0.31 -0.59 -0.08 -1.57 0.00 0.00 179.24 176.14 3fa3 h GLU 283 N -0.00 0.74 -0.79 3.56 4.57 -1.07 -2.38 114.58 119.21 3fa3 h GLU 283 Ca 0.45 -0.50 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 3fa3 h GLU 283 Cb 0.68 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.30 3fa3 h GLU 283 CO -0.96 1.12 0.35 0.77 -1.18 0.00 0.00 179.01 179.10 3fa3 h SER 284 N 0.56 1.06 0.72 1.04 0.02 -0.90 -1.99 113.55 114.06 3fa3 h SER 284 Ca 0.00 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 3fa3 h SER 284 Cb 1.18 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.45 3fa3 h SER 284 CO 0.12 0.92 -0.13 0.24 -1.14 0.00 0.00 176.83 176.84 3fa3 h MET 285 N 1.14 0.00 0.14 3.45 2.86 -0.21 -2.85 114.93 119.45 3fa3 h MET 285 Ca 0.27 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.66 3fa3 h MET 285 Cb 0.16 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.85 3fa3 h MET 285 CO -0.03 0.13 -1.07 0.87 1.06 0.00 0.00 176.91 177.87 3fa3 h LYS 286 N 0.00 0.49 -0.60 1.72 1.57 -0.89 -2.98 116.57 115.88 3fa3 h LYS 286 Ca -0.00 -0.71 0.11 0.00 -1.87 0.00 0.00 60.65 58.18 3fa3 h LYS 286 Cb 0.53 0.24 -0.09 0.00 0.08 0.00 0.00 32.23 33.00 3fa3 h LYS 286 CO 0.02 1.31 0.13 0.28 -0.57 0.00 0.00 179.45 180.62 3fa3 h VAL 287 N 0.01 0.65 0.28 0.50 2.07 -1.15 0.30 116.25 118.91 3fa3 h VAL 287 Ca -0.17 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3fa3 h VAL 287 Cb 1.80 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3fa3 h VAL 287 CO 0.20 0.05 -0.14 -0.78 0.02 0.00 0.00 177.57 176.93 3fa3 h ASP 288 N 0.26 -0.32 -0.65 0.57 3.58 -1.64 -2.54 116.42 115.69 3fa3 h ASP 288 Ca 0.31 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.72 3fa3 h ASP 288 Cb 0.46 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.57 3fa3 h ASP 288 CO -0.40 -0.20 0.27 0.00 -2.88 0.00 0.00 179.24 176.03 3fa3 h ALA 289 N 0.30 0.84 -0.25 -0.78 0.00 -1.09 6.44 119.26 124.72 3fa3 h ALA 289 Ca -0.04 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.75 3fa3 h ALA 289 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3fa3 h ALA 289 CO 0.06 0.45 0.17 1.96 0.00 0.00 0.00 179.25 181.89 3fa3 h GLN 290 N 0.90 0.12 0.00 0.00 4.20 -0.45 -3.26 115.11 116.62 3fa3 h GLN 290 Ca 0.22 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3fa3 h GLN 290 Cb 0.19 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3fa3 h GLN 290 CO -0.02 0.08 -0.47 0.00 -0.67 0.00 0.00 178.83 177.74 3fa3 h ALA 291 N 1.87 0.74 -3.18 3.87 0.00 -0.53 -3.45 119.26 118.59 3fa3 h ALA 291 Ca 0.11 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.49 3fa3 h ALA 291 Cb 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.72 3fa3 h ALA 291 CO -0.01 0.00 -0.81 0.20 0.00 0.00 0.00 179.25 178.63 3fa3 s GLY 292 N -4.09 0.86 0.56 0.00 0.00 -1.26 -5.11 107.32 98.29 3fa3 s GLY 292 Ca 0.05 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.19 3fa3 s GLY 292 CO 0.71 0.76 0.79 -0.32 0.00 0.00 0.00 173.10 175.05 3fa3 s GLY 293 N 1.67 1.81 0.00 0.20 0.00 2.06 -4.88 107.32 108.18 3fa3 s GLY 293 Ca 0.05 -1.29 0.07 0.00 0.00 0.00 0.00 44.72 43.54 3fa3 s GLY 293 CO -0.08 -1.00 0.71 0.00 0.00 0.00 0.00 173.10 172.72 3fa3 n ALA 294 N -2.38 2.49 0.26 3.20 0.00 -1.26 -4.32 120.51 118.50 3fa3 n ALA 294 Ca 0.08 -0.55 0.12 0.00 0.00 0.00 0.00 53.44 53.09 3fa3 n ALA 294 Cb 0.60 -0.22 0.70 0.00 0.00 0.00 0.00 19.45 20.53 3fa3 n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 h ALA 295 N 1.29 1.32 -0.38 0.00 0.00 -1.94 -2.99 119.26 116.55 3fa3 h ALA 295 Ca 0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 3fa3 h ALA 295 Cb 0.27 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.85 3fa3 h ALA 295 CO 0.00 0.16 -0.50 1.19 0.00 0.00 0.00 179.25 180.10 3fa3 n PHE 296 N -3.70 1.36 -3.27 0.00 0.99 -1.26 -5.01 117.46 106.57 3fa3 n PHE 296 Ca -0.02 -1.86 -0.42 0.00 -0.00 0.00 0.00 57.45 55.16 3fa3 n PHE 296 Cb 0.24 -0.37 -0.08 0.00 -1.00 0.00 0.00 39.48 38.27 3fa3 n PHE 296 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3fa3 s ASP 297 N -3.21 6.27 0.00 4.37 -1.08 -1.13 -2.84 116.67 119.05 3fa3 s ASP 297 Ca 0.45 -0.22 0.00 0.00 -0.52 0.00 0.00 52.55 52.26 3fa3 s ASP 297 Cb 0.40 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.60 3fa3 s ASP 297 CO -0.02 -0.51 0.00 0.61 0.52 0.00 0.00 175.17 175.77 3fa3 n GLY 298 N 4.91 1.10 0.00 2.66 0.00 -1.26 -4.96 105.19 107.64 3fa3 n GLY 298 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3fa3 n GLY 298 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 299 N -0.55 0.00 0.14 -0.02 0.00 -1.13 -4.49 105.19 99.15 3fa3 n GLY 299 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3fa3 n GLY 299 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fa3 n VAL 300 N 0.00 1.26 -3.22 1.61 0.24 -1.26 -4.97 118.33 111.99 3fa3 n VAL 300 Ca 0.00 -1.48 -0.28 0.00 -2.04 0.00 0.00 64.34 60.53 3fa3 n VAL 300 Cb 0.00 0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 32.43 3fa3 n VAL 300 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3fa3 s ASP 301 N -2.05 6.43 0.00 -1.34 1.01 -1.26 -5.00 116.67 114.45 3fa3 s ASP 301 Ca 0.19 0.76 0.21 0.00 0.71 0.00 0.00 52.55 54.43 3fa3 s ASP 301 Cb 0.16 -2.17 0.17 0.00 1.01 0.00 0.00 42.92 42.10 3fa3 s ASP 301 CO 0.02 -0.26 1.18 -0.11 0.21 0.00 0.00 175.17 176.21