#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 3.72 0.06 -0.52 -1.94 -1.26 -5.06 119.30 114.29 3fa3 s MET 3 Ca 0.00 1.33 0.02 0.00 -1.71 0.00 0.00 55.69 55.34 3fa3 s MET 3 Cb 0.00 -2.08 -0.03 0.00 2.01 0.00 0.00 34.83 34.73 3fa3 s MET 3 CO 0.00 -0.50 -0.08 0.08 -0.01 0.00 0.00 175.02 174.51 3fa3 s VAL 4 N -2.06 0.65 0.04 -6.03 1.01 -1.26 -5.17 120.40 107.58 3fa3 s VAL 4 Ca 0.67 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3fa3 s VAL 4 Cb -0.16 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3fa3 s VAL 4 CO 0.23 -0.48 -0.04 0.28 0.00 0.00 0.00 175.10 175.09 3fa3 s THR 5 N -1.89 0.29 -1.20 3.92 -1.32 -1.26 -5.00 115.64 109.17 3fa3 s THR 5 Ca -0.04 -1.24 0.29 0.00 -1.21 0.00 0.00 61.69 59.49 3fa3 s THR 5 Cb -0.06 -0.75 0.34 0.00 -1.51 0.00 0.00 72.50 70.51 3fa3 s THR 5 CO -0.00 -0.62 1.93 0.00 -2.21 0.00 0.00 174.62 173.72 3fa3 n ALA 6 N 1.09 2.51 0.25 11.08 0.00 -1.26 -2.75 120.51 131.43 3fa3 n ALA 6 Ca -0.20 -0.15 0.16 0.00 0.00 0.00 0.00 53.44 53.25 3fa3 n ALA 6 Cb 0.57 -1.44 0.86 0.00 0.00 0.00 0.00 19.45 19.44 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 3.20 1.69 0.08 0.00 0.00 -1.80 -1.77 119.26 120.65 3fa3 h ALA 7 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 3fa3 h ALA 7 Cb 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3fa3 h ALA 7 CO 0.00 -0.15 -1.47 1.15 0.00 0.00 0.00 179.25 178.78 3fa3 h THR 8 N 0.00 1.20 0.60 0.00 2.02 -1.78 -2.36 112.91 112.59 3fa3 h THR 8 Ca 0.04 -2.89 -0.02 0.00 0.77 0.00 0.00 66.41 64.31 3fa3 h THR 8 Cb 0.25 2.72 -0.00 0.00 -1.74 0.00 0.00 68.15 69.38 3fa3 h THR 8 CO -0.00 0.80 -0.35 0.28 0.37 0.00 0.00 175.52 176.62 3fa3 h SER 9 N 0.05 -0.86 -0.54 4.18 0.02 -1.64 -1.16 113.55 113.61 3fa3 h SER 9 Ca -0.21 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 60.82 3fa3 h SER 9 Cb 1.97 0.24 -0.04 0.00 0.14 0.00 0.00 62.40 64.72 3fa3 h SER 9 CO 0.14 -0.55 0.30 0.25 -1.14 0.00 0.00 176.83 175.83 3fa3 h LEU 10 N -0.89 0.47 -0.63 5.07 5.85 -1.41 0.61 115.31 124.39 3fa3 h LEU 10 Ca -0.08 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 3fa3 h LEU 10 Cb 0.71 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3fa3 h LEU 10 CO 0.09 0.33 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.39 3fa3 h ARG 11 N 0.59 1.04 -0.49 1.25 2.43 -1.43 0.10 114.38 117.88 3fa3 h ARG 11 Ca 0.23 -0.34 -0.09 0.00 -0.81 0.00 0.00 59.98 58.96 3fa3 h ARG 11 Cb 0.07 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3fa3 h ARG 11 CO -0.12 1.04 -0.07 0.00 -1.51 0.00 0.00 179.97 179.31 3fa3 h ARG 12 N 0.95 0.87 -0.77 0.20 3.08 -0.62 -2.77 114.38 115.32 3fa3 h ARG 12 Ca 0.16 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3fa3 h ARG 12 Cb 0.59 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 3fa3 h ARG 12 CO 0.04 0.91 0.37 0.00 -1.07 0.00 0.00 179.97 180.21 3fa3 h ALA 13 N 1.13 1.19 0.00 0.04 0.00 0.13 -1.58 119.26 120.17 3fa3 h ALA 13 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fa3 h ALA 13 Cb 0.57 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3fa3 h ALA 13 CO 0.03 0.61 0.00 -0.07 0.00 0.00 0.00 179.25 179.83 3fa3 h LEU 14 N 1.10 0.00 0.00 0.00 3.38 -0.65 -2.00 115.31 117.14 3fa3 h LEU 14 Ca 0.27 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.15 3fa3 h LEU 14 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3fa3 h LEU 14 CO -0.03 0.00 -0.62 -0.33 0.09 0.00 0.00 178.44 177.54 3fa3 h GLU 15 N 0.00 0.00 -5.36 1.13 5.08 -1.01 -3.43 114.58 110.99 3fa3 h GLU 15 Ca 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 3fa3 h GLU 15 Cb 0.28 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.39 3fa3 h GLU 15 CO 0.00 0.33 0.05 1.21 -1.00 0.00 0.00 179.01 179.60 3fa3 s ASN 16 N -6.19 6.38 0.49 1.42 2.47 -0.75 -4.93 114.94 113.81 3fa3 s ASN 16 Ca 0.03 0.07 0.33 0.00 0.42 0.00 0.00 52.86 53.71 3fa3 s ASN 16 Cb 0.07 -2.30 1.51 0.00 -1.45 0.00 0.00 41.25 39.08 3fa3 s ASN 16 CO 0.75 -0.53 1.98 1.55 -3.72 0.00 0.00 177.10 177.12 3fa3 h PRO 17 N 8.45 0.00 0.00 0.43 0.13 -1.83 -1.15 132.00 138.03 3fa3 h PRO 17 Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.73 3fa3 h PRO 17 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3fa3 h PRO 17 CO 0.80 0.00 -0.64 -0.44 -0.23 0.00 0.00 178.00 177.50 3fa3 h ASP 18 N 0.00 0.00 -3.52 1.44 3.45 -1.92 -3.46 116.42 112.42 3fa3 h ASP 18 Ca 0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 3fa3 h ASP 18 Cb 0.30 0.00 0.06 0.00 -0.56 0.00 0.00 39.33 39.14 3fa3 h ASP 18 CO 0.00 0.64 0.74 -0.44 -1.57 0.00 0.00 179.24 178.61 3fa3 s SER 19 N -6.84 6.65 -0.11 6.45 0.01 -0.44 -4.98 113.70 114.44 3fa3 s SER 19 Ca -0.01 2.71 0.01 0.00 1.31 0.00 0.00 55.95 59.96 3fa3 s SER 19 Cb 0.13 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.74 3fa3 s SER 19 CO 0.77 -0.69 -0.12 0.12 0.41 0.00 0.00 173.24 173.72 3fa3 s PHE 20 N -0.31 1.81 -0.20 2.43 5.36 -1.26 -4.96 117.98 120.85 3fa3 s PHE 20 Ca 0.57 -0.90 -0.13 0.00 -0.96 0.00 0.00 56.93 55.51 3fa3 s PHE 20 Cb -0.42 -1.37 -0.05 0.00 -0.34 0.00 0.00 43.02 40.85 3fa3 s PHE 20 CO 0.47 -0.51 0.26 0.42 -1.46 0.00 0.00 175.22 174.40 3fa3 s ILE 21 N 1.28 5.30 -0.14 3.12 -1.09 -0.27 -5.02 121.20 124.39 3fa3 s ILE 21 Ca -0.01 0.43 0.01 0.00 -2.23 0.00 0.00 60.65 58.85 3fa3 s ILE 21 Cb -0.14 -3.60 0.02 0.00 -1.58 0.00 0.00 42.46 37.16 3fa3 s ILE 21 CO -0.05 0.34 -0.18 0.68 -1.23 0.00 0.00 174.94 174.50 3fa3 s VAL 22 N 0.90 1.78 -0.22 2.92 -7.23 -1.26 -1.58 120.40 115.70 3fa3 s VAL 22 Ca 0.13 -0.79 -0.01 0.00 -1.81 0.00 0.00 61.98 59.51 3fa3 s VAL 22 Cb -0.13 -1.62 0.06 0.00 0.56 0.00 0.00 36.38 35.25 3fa3 s VAL 22 CO 0.04 0.49 -0.00 0.00 -0.31 0.00 0.00 175.10 175.33 3fa3 s ALA 23 N 1.16 1.50 0.54 1.32 0.00 -0.72 -3.69 121.76 121.87 3fa3 s ALA 23 Ca -0.01 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 50.70 3fa3 s ALA 23 Cb -0.14 -1.33 -0.06 0.00 0.00 0.00 0.00 23.12 21.59 3fa3 s ALA 23 CO -0.07 -1.21 1.05 -1.25 0.00 0.00 0.00 175.76 174.28 3fa3 s PRO 24 N 1.62 3.54 -0.03 0.00 0.04 -1.25 -2.67 135.00 136.24 3fa3 s PRO 24 Ca -0.03 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 3fa3 s PRO 24 Cb -0.18 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 3fa3 s PRO 24 CO -0.08 -0.64 1.58 0.20 0.04 0.00 0.00 177.00 178.10 3fa3 s GLY 25 N -2.35 1.60 0.29 0.56 0.00 0.12 -1.48 107.32 106.07 3fa3 s GLY 25 Ca 0.66 0.94 0.08 0.00 0.00 0.00 0.00 44.72 46.40 3fa3 s GLY 25 CO 0.28 2.88 -0.08 -1.34 0.00 0.00 0.00 173.10 174.84 3fa3 s VAL 26 N 3.45 1.85 0.00 1.40 -7.23 0.23 -2.84 120.40 117.26 3fa3 s VAL 26 Ca 0.70 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 3fa3 s VAL 26 Cb -0.33 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.13 3fa3 s VAL 26 CO 0.28 -0.29 0.37 0.00 -0.31 0.00 0.00 175.10 175.15 3fa3 n TYR 27 N -0.63 0.00 -2.29 2.82 4.11 -1.26 -2.31 117.16 117.60 3fa3 n TYR 27 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.85 3fa3 n TYR 27 Cb 0.63 0.03 0.00 0.00 -0.00 0.00 0.00 39.34 40.00 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 -0.05 9.48 5.75 -1.26 -4.51 116.55 125.96 3fa3 n ASP 28 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.76 3fa3 n ASP 28 Cb 0.48 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.45 3fa3 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fa3 n GLY 29 N 0.00 -0.71 0.17 6.12 0.00 -1.26 -1.77 105.19 107.74 3fa3 n GLY 29 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 3fa3 n GLY 29 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fa3 h LEU 30 N 0.00 -0.37 -0.76 0.99 3.38 -1.98 -1.65 115.31 114.92 3fa3 h LEU 30 Ca -0.26 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 3fa3 h LEU 30 Cb 1.49 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 3fa3 h LEU 30 CO 0.01 -0.16 -0.57 0.77 0.09 0.00 0.00 178.44 178.58 3fa3 h SER 31 N -0.16 0.17 -0.13 -0.43 4.64 -1.97 -1.97 113.55 113.70 3fa3 h SER 31 Ca 0.07 -0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.20 3fa3 h SER 31 Cb 0.27 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3fa3 h SER 31 CO -0.19 0.71 -0.32 0.00 -0.87 0.00 0.00 176.83 176.16 3fa3 h ALA 32 N 1.30 0.21 -0.83 5.18 0.00 -1.37 -2.34 119.26 121.42 3fa3 h ALA 32 Ca -0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 3fa3 h ALA 32 Cb 1.04 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3fa3 h ALA 32 CO 0.08 0.25 0.51 0.00 0.00 0.00 0.00 179.25 180.10 3fa3 h ARG 33 N 0.04 1.11 -0.55 0.00 2.47 -1.23 -1.95 114.38 114.27 3fa3 h ARG 33 Ca -0.00 -0.09 -0.11 0.00 -1.26 0.00 0.00 59.98 58.51 3fa3 h ARG 33 Cb 0.93 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 29.00 3fa3 h ARG 33 CO 0.07 0.77 -0.10 0.28 0.56 0.00 0.00 179.97 181.55 3fa3 h VAL 34 N 1.13 1.27 0.47 2.04 2.07 -1.27 0.25 116.25 122.20 3fa3 h VAL 34 Ca 0.30 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 3fa3 h VAL 34 Cb -0.06 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3fa3 h VAL 34 CO -0.06 0.45 -0.22 0.00 0.02 0.00 0.00 177.57 177.76 3fa3 h ALA 35 N 0.93 -0.63 -0.81 1.67 0.00 -1.22 -1.89 119.26 117.32 3fa3 h ALA 35 Ca 0.14 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.10 3fa3 h ALA 35 Cb 0.68 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.58 3fa3 h ALA 35 CO 0.05 -0.82 0.13 -0.07 0.00 0.00 0.00 179.25 178.53 3fa3 h LEU 36 N -0.68 -0.14 -1.16 0.00 4.07 -1.26 -1.36 115.31 114.77 3fa3 h LEU 36 Ca -0.06 0.19 -0.07 0.00 0.08 0.00 0.00 57.88 58.01 3fa3 h LEU 36 Cb 0.51 0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.52 3fa3 h LEU 36 CO 0.11 -0.14 -0.19 -1.28 -1.08 0.00 0.00 178.44 175.85 3fa3 h SER 37 N 0.18 0.35 0.00 -0.43 0.87 -0.34 -1.69 113.55 112.49 3fa3 h SER 37 Ca 0.47 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 3fa3 h SER 37 Cb 0.88 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 3fa3 h SER 37 CO -0.64 0.56 0.00 0.00 -0.53 0.00 0.00 176.83 176.22 3fa3 n ALA 38 N -2.48 2.19 -0.81 6.23 0.00 -0.52 -4.90 120.51 120.22 3fa3 n ALA 38 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3fa3 n ALA 38 Cb 0.34 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 0.20 0.69 3.71 0.00 0.00 -0.63 -5.06 105.19 104.09 3fa3 n GLY 39 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.56 1.97 0.92 1.61 3.01 -1.21 -4.94 117.46 116.26 3fa3 n PHE 40 Ca 0.00 0.44 0.10 0.00 1.01 0.00 0.00 57.45 59.00 3fa3 n PHE 40 Cb 0.00 -2.31 -0.02 0.00 -0.01 0.00 0.00 39.48 37.13 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 -0.93 1.74 -3.87 4.37 8.00 -1.26 -4.81 116.55 119.80 3fa3 n ASP 41 Ca 0.11 -1.37 -0.10 0.00 0.71 0.00 0.00 54.79 54.14 3fa3 n ASP 41 Cb 0.45 0.57 -0.08 0.00 -0.02 0.00 0.00 41.12 42.03 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 -2.41 -0.27 0.14 2.24 0.00 -1.24 -4.10 121.76 116.13 3fa3 s ALA 42 Ca 0.15 -0.39 0.11 0.00 0.00 0.00 0.00 51.96 51.83 3fa3 s ALA 42 Cb 0.16 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 3fa3 s ALA 42 CO 0.57 -0.37 -0.25 -0.51 0.00 0.00 0.00 175.76 175.20 3fa3 s LEU 43 N -2.19 2.35 -0.15 0.00 1.43 0.20 -3.93 118.68 116.39 3fa3 s LEU 43 Ca -0.04 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.30 3fa3 s LEU 43 Cb -0.00 -1.16 0.01 0.00 0.03 0.00 0.00 46.19 45.07 3fa3 s LEU 43 CO -0.05 0.15 -0.20 -0.47 0.23 0.00 0.00 176.35 176.01 3fa3 s TYR 44 N -1.26 2.60 -0.38 0.29 5.04 -0.55 -0.38 117.35 122.71 3fa3 s TYR 44 Ca 0.15 -1.39 -0.18 0.00 -2.44 0.00 0.00 57.07 53.20 3fa3 s TYR 44 Cb -0.09 -1.79 0.01 0.00 0.35 0.00 0.00 41.96 40.43 3fa3 s TYR 44 CO 0.07 -0.67 0.52 1.41 -1.34 0.00 0.00 175.55 175.54 3fa3 s MET 45 N 1.04 3.45 -0.03 4.97 -2.45 -0.25 0.75 119.30 126.77 3fa3 s MET 45 Ca -0.02 -0.33 -0.30 0.00 -1.25 0.00 0.00 55.69 53.79 3fa3 s MET 45 Cb -0.14 -3.87 -0.05 0.00 1.25 0.00 0.00 34.83 32.02 3fa3 s MET 45 CO -0.06 -0.76 1.36 -0.08 1.05 0.00 0.00 175.02 176.54 3fa3 s THR 46 N 2.42 3.88 0.20 10.11 -1.32 -0.98 -2.58 115.64 127.37 3fa3 s THR 46 Ca 0.18 1.22 -0.11 0.00 -1.21 0.00 0.00 61.69 61.76 3fa3 s THR 46 Cb -0.16 -3.78 0.11 0.00 -1.51 0.00 0.00 72.50 67.17 3fa3 s THR 46 CO 0.14 -0.02 1.77 1.23 -2.21 0.00 0.00 174.62 175.54 3fa3 h GLY 47 N 8.61 0.81 0.22 6.08 0.00 -1.92 0.15 103.07 117.02 3fa3 h GLY 47 Ca -0.36 -0.17 0.11 0.00 0.00 0.00 0.00 47.33 46.91 3fa3 h GLY 47 CO 0.91 0.07 0.16 0.00 0.00 0.00 0.00 176.54 177.68 3fa3 h ALA 48 N 1.34 0.74 0.02 3.60 0.00 -1.96 -0.24 119.26 122.76 3fa3 h ALA 48 Ca 0.27 0.12 -0.21 0.00 0.00 0.00 0.00 54.91 55.08 3fa3 h ALA 48 Cb 0.23 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3fa3 h ALA 48 CO -0.22 -0.28 -0.94 0.78 0.00 0.00 0.00 179.25 178.59 3fa3 h GLY 49 N 0.30 0.28 0.98 0.00 0.00 -1.80 -2.20 103.07 100.62 3fa3 h GLY 49 Ca 0.32 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 47.13 3fa3 h GLY 49 CO -0.38 0.47 0.59 -0.84 0.00 0.00 0.00 176.54 176.38 3fa3 h THR 50 N 0.13 1.21 0.18 4.70 2.02 -0.02 0.10 112.91 121.24 3fa3 h THR 50 Ca -0.06 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 3fa3 h THR 50 Cb 1.59 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3fa3 h THR 50 CO 0.15 0.22 -0.09 0.00 0.37 0.00 0.00 175.52 176.17 3fa3 h ALA 51 N 1.34 -0.25 -0.51 6.16 0.00 -0.72 0.19 119.26 125.48 3fa3 h ALA 51 Ca 0.34 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3fa3 h ALA 51 Cb -0.11 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3fa3 h ALA 51 CO -0.08 -0.58 0.27 0.00 0.00 0.00 0.00 179.25 178.86 3fa3 h ALA 52 N 0.42 0.65 -0.00 0.00 0.00 -1.12 -0.40 119.26 118.81 3fa3 h ALA 52 Ca -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3fa3 h ALA 52 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3fa3 h ALA 52 CO 0.04 -0.06 -0.16 1.03 0.00 0.00 0.00 179.25 180.10 3fa3 h SER 53 N 0.53 0.15 -0.40 0.00 0.87 -0.58 -1.00 113.55 113.12 3fa3 h SER 53 Ca 0.22 -0.77 -0.10 0.00 -1.23 0.00 0.00 61.79 59.91 3fa3 h SER 53 Cb 0.10 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3fa3 h SER 53 CO -0.14 0.90 -0.09 0.58 -0.53 0.00 0.00 176.83 177.55 3fa3 h VAL 54 N -0.58 1.26 0.00 2.23 2.07 -0.65 -3.37 116.25 117.21 3fa3 h VAL 54 Ca -0.02 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.32 3fa3 h VAL 54 Cb 0.92 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3fa3 h VAL 54 CO 0.03 0.41 -0.08 1.41 0.02 0.00 0.00 177.57 179.36 3fa3 n HIS 55 N -4.16 0.00 -2.22 1.57 8.25 -0.21 -5.02 115.22 113.44 3fa3 n HIS 55 Ca 0.02 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.31 3fa3 n HIS 55 Cb 0.37 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.46 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 0.90 -0.09 3.59 -1.41 0.00 -0.38 -4.98 105.19 102.82 3fa3 n GLY 56 Ca 0.00 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.66 1.91 0.76 1.61 0.74 -1.18 -4.93 119.66 113.92 3fa3 s GLN 57 Ca 0.00 -2.10 -0.09 0.00 0.05 0.00 0.00 55.36 53.22 3fa3 s GLN 57 Cb 0.00 -1.40 0.09 0.00 1.10 0.00 0.00 33.01 32.80 3fa3 s GLN 57 CO 0.00 -0.14 1.09 0.00 -0.55 0.00 0.00 175.29 175.69 3fa3 s ALA 58 N -2.89 2.97 -1.09 1.58 0.00 -1.26 -2.82 121.76 118.25 3fa3 s ALA 58 Ca 0.31 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 51.07 3fa3 s ALA 58 Cb 0.08 -2.64 -0.08 0.00 0.00 0.00 0.00 23.12 20.48 3fa3 s ALA 58 CO 0.15 -1.56 1.92 -3.47 0.00 0.00 0.00 175.76 172.81 3fa3 n ASP 59 N -3.12 3.21 -0.33 0.00 4.64 -1.26 -4.54 116.55 115.15 3fa3 n ASP 59 Ca 0.10 -2.73 0.03 0.00 -1.38 0.00 0.00 54.79 50.81 3fa3 n ASP 59 Cb 0.60 -1.54 0.05 0.00 -1.04 0.00 0.00 41.12 39.19 3fa3 n ASP 59 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3fa3 n LEU 60 N 10.91 0.85 0.00 -2.67 4.77 -1.26 -2.11 117.00 127.49 3fa3 n LEU 60 Ca 0.47 -1.71 0.00 0.00 -0.03 0.00 0.00 56.01 54.74 3fa3 n LEU 60 Cb 0.44 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3fa3 n LEU 60 CO 0.82 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 3fa3 n GLY 61 N -0.51 0.64 0.24 -0.72 0.00 -1.14 -4.32 105.19 99.38 3fa3 n GLY 61 Ca 0.06 -0.10 0.17 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -3.42 -0.61 1.08 -1.89 -3.44 117.51 109.23 3fa3 h ILE 62 Ca 0.00 -0.30 -0.55 0.00 -0.39 0.00 0.00 64.86 63.63 3fa3 h ILE 62 Cb 0.00 1.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 3fa3 h ILE 62 CO 0.00 0.00 0.14 0.00 -0.69 0.00 0.00 178.15 177.60 3fa3 s THR 64 N -0.27 2.51 0.34 0.00 -4.23 -1.26 -4.94 115.64 107.79 3fa3 s THR 64 Ca 0.37 -0.57 0.02 0.00 -1.18 0.00 0.00 61.69 60.33 3fa3 s THR 64 Cb -0.21 -2.94 0.26 0.00 1.34 0.00 0.00 72.50 70.96 3fa3 s THR 64 CO 0.23 0.00 2.00 0.25 -0.54 0.00 0.00 174.62 176.56 3fa3 h LEU 65 N -0.16 0.75 -0.74 4.79 5.85 -1.97 -1.65 115.31 122.16 3fa3 h LEU 65 Ca -0.42 -0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.41 3fa3 h LEU 65 Cb 1.30 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 42.05 3fa3 h LEU 65 CO 0.52 0.55 0.32 0.78 -0.34 0.00 0.00 178.44 180.27 3fa3 h ASN 66 N 0.88 0.34 -0.44 1.25 4.21 -1.99 0.15 115.58 119.98 3fa3 h ASN 66 Ca 0.24 0.09 -0.13 0.00 1.21 0.00 0.00 56.30 57.71 3fa3 h ASN 66 Cb -0.09 0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.15 3fa3 h ASN 66 CO -0.05 0.16 -0.22 0.44 -1.29 0.00 0.00 177.43 176.47 3fa3 h ASP 67 N 0.50 0.96 0.22 5.81 3.32 -1.68 -3.01 116.42 122.54 3fa3 h ASP 67 Ca 0.39 -0.41 -0.33 0.00 0.02 0.00 0.00 57.03 56.71 3fa3 h ASP 67 Cb 0.55 -0.27 0.03 0.00 0.22 0.00 0.00 39.33 39.86 3fa3 h ASP 67 CO -0.36 1.15 -1.51 0.24 -1.72 0.00 0.00 179.24 177.05 3fa3 h MET 68 N 0.77 0.47 -0.55 3.56 2.86 -1.03 -2.58 114.93 118.43 3fa3 h MET 68 Ca 0.10 -0.80 -0.04 0.00 -2.06 0.00 0.00 59.70 56.91 3fa3 h MET 68 Cb 0.79 0.30 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 3fa3 h MET 68 CO 0.07 1.38 0.20 -0.09 1.06 0.00 0.00 176.91 179.53 3fa3 h ARG 69 N 0.07 0.83 -0.83 1.72 1.12 -0.83 0.63 114.38 117.09 3fa3 h ARG 69 Ca -0.28 -0.16 -0.03 0.00 -1.11 0.00 0.00 59.98 58.40 3fa3 h ARG 69 Cb 2.09 -0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 31.88 3fa3 h ARG 69 CO 0.23 0.74 0.41 0.00 -3.11 0.00 0.00 179.97 178.23 3fa3 h ALA 70 N 1.05 1.06 -0.20 2.80 0.00 -1.51 0.32 119.26 122.79 3fa3 h ALA 70 Ca 0.18 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 3fa3 h ALA 70 Cb 0.23 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3fa3 h ALA 70 CO -0.01 0.61 -0.56 -0.97 0.00 0.00 0.00 179.25 178.32 3fa3 h ASN 71 N 1.17 0.83 -0.49 0.00 -1.24 -1.12 -2.41 115.58 112.31 3fa3 h ASN 71 Ca 0.29 -0.58 0.02 0.00 0.71 0.00 0.00 56.30 56.73 3fa3 h ASN 71 Cb 0.09 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 38.87 3fa3 h ASN 71 CO -0.04 1.26 0.30 0.00 -1.29 0.00 0.00 177.43 177.66 3fa3 h ALA 72 N 0.59 0.63 0.04 1.57 0.00 0.12 -2.58 119.26 119.63 3fa3 h ALA 72 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fa3 h ALA 72 Cb 1.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3fa3 h ALA 72 CO 0.12 0.00 -0.02 1.49 0.00 0.00 0.00 179.25 180.84 3fa3 h GLU 73 N 0.60 -0.05 -0.45 0.00 4.81 -0.32 -1.35 114.58 117.82 3fa3 h GLU 73 Ca 0.20 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.46 3fa3 h GLU 73 Cb 0.00 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3fa3 h GLU 73 CO -0.08 0.17 0.24 0.00 -0.73 0.00 0.00 179.01 178.61 3fa3 h MET 74 N -0.27 0.47 -0.78 1.92 -0.00 -1.45 -1.31 114.93 113.51 3fa3 h MET 74 Ca -0.01 -0.03 0.09 0.00 -0.00 0.00 0.00 59.70 59.76 3fa3 h MET 74 Cb 0.25 -0.11 -0.07 0.00 -0.00 0.00 0.00 31.60 31.67 3fa3 h MET 74 CO 0.01 0.31 0.43 0.82 -0.00 0.00 0.00 176.91 178.48 3fa3 h ILE 75 N 0.48 0.88 0.00 -0.10 2.04 -1.40 -2.29 117.51 117.12 3fa3 h ILE 75 Ca 0.19 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 3fa3 h ILE 75 Cb 0.07 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 3fa3 h ILE 75 CO -0.12 0.13 -0.34 0.28 0.00 0.00 0.00 178.15 178.11 3fa3 h SER 76 N 0.71 0.00 -0.01 1.72 0.02 -0.57 -3.21 113.55 112.22 3fa3 h SER 76 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3fa3 h SER 76 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3fa3 h SER 76 CO -0.26 0.34 -0.10 0.59 -1.14 0.00 0.00 176.83 176.26 3fa3 n ASN 77 N -3.49 2.39 0.28 3.07 3.02 -0.56 -3.61 115.26 116.36 3fa3 n ASN 77 Ca -0.00 -1.74 -0.16 0.00 -0.03 0.00 0.00 54.58 52.65 3fa3 n ASN 77 Cb 0.49 0.09 -0.08 0.00 -0.61 0.00 0.00 39.78 39.67 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 3.60 0.42 -3.49 2.41 1.08 -1.47 -3.36 117.51 116.70 3fa3 h ILE 78 Ca 0.00 0.00 -0.64 0.00 -0.39 0.00 0.00 64.86 63.83 3fa3 h ILE 78 Cb 0.82 0.42 -0.40 0.00 -3.07 0.00 0.00 36.82 34.60 3fa3 h ILE 78 CO 0.00 0.00 -0.72 -0.55 -0.69 0.00 0.00 178.15 176.19 3fa3 s SER 79 N -4.58 4.49 0.53 1.72 0.15 -1.26 -5.03 113.70 109.72 3fa3 s SER 79 Ca -0.17 -2.13 0.20 0.00 0.70 0.00 0.00 55.95 54.56 3fa3 s SER 79 Cb 0.05 -1.41 1.37 0.00 -1.71 0.00 0.00 66.02 64.31 3fa3 s SER 79 CO 0.63 -0.37 2.11 1.55 1.20 0.00 0.00 173.24 178.36 3fa3 h PRO 80 N 7.59 0.00 -0.00 5.44 0.13 -1.71 -1.37 132.00 142.07 3fa3 h PRO 80 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3fa3 h PRO 80 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3fa3 h PRO 80 CO 0.52 0.00 -0.00 -1.13 -0.23 0.00 0.00 178.00 177.16 3fa3 n SER 81 N -4.40 0.01 -4.67 1.44 3.41 -1.26 -4.09 113.62 104.06 3fa3 n SER 81 Ca 0.01 0.22 -0.40 0.00 -0.26 0.00 0.00 58.87 58.43 3fa3 n SER 81 Cb 0.24 -0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 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 -2.82 5.01 0.46 6.66 2.01 -0.52 -4.87 115.64 121.57 3fa3 s THR 82 Ca 0.20 1.24 -0.24 0.00 0.31 0.00 0.00 61.69 63.20 3fa3 s THR 82 Cb 0.20 -3.97 -0.08 0.00 0.01 0.00 0.00 72.50 68.66 3fa3 s THR 82 CO 0.50 0.12 1.32 -2.16 -0.69 0.00 0.00 174.62 173.71 3fa3 s PRO 83 N 1.82 3.68 -0.14 4.92 0.04 -1.26 -4.87 135.00 139.20 3fa3 s PRO 83 Ca 0.30 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.52 3fa3 s PRO 83 Cb -0.16 -2.57 0.02 0.00 0.04 0.00 0.00 34.50 31.83 3fa3 s PRO 83 CO 0.11 -0.73 -0.12 0.08 0.04 0.00 0.00 177.00 176.37 3fa3 s VAL 84 N -1.30 1.43 -0.35 -0.36 1.01 -1.26 -0.63 120.40 118.94 3fa3 s VAL 84 Ca 0.62 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 3fa3 s VAL 84 Cb -0.39 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3fa3 s VAL 84 CO 0.48 0.42 0.78 -0.63 0.00 0.00 0.00 175.10 176.14 3fa3 s ILE 85 N 1.54 4.75 -0.11 2.22 1.01 0.49 -1.75 121.20 129.35 3fa3 s ILE 85 Ca 0.05 0.91 0.02 0.00 0.00 0.00 0.00 60.65 61.63 3fa3 s ILE 85 Cb -0.13 -4.19 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 3fa3 s ILE 85 CO -0.10 -0.40 -0.18 0.00 0.00 0.00 0.00 174.94 174.26 3fa3 s ALA 86 N 3.05 2.42 0.35 9.38 0.00 -0.07 -1.10 121.76 135.81 3fa3 s ALA 86 Ca 0.31 -0.94 -0.28 0.00 0.00 0.00 0.00 51.96 51.05 3fa3 s ALA 86 Cb -0.13 -1.00 -0.10 0.00 0.00 0.00 0.00 23.12 21.88 3fa3 s ALA 86 CO 0.16 0.30 1.36 0.34 0.00 0.00 0.00 175.76 177.93 3fa3 s ASP 87 N 0.21 6.59 -0.05 0.00 2.15 -1.06 -2.61 116.67 121.89 3fa3 s ASP 87 Ca -0.11 2.80 0.24 0.00 0.43 0.00 0.00 52.55 55.90 3fa3 s ASP 87 Cb -0.16 -2.65 0.44 0.00 -0.30 0.00 0.00 42.92 40.24 3fa3 s ASP 87 CO 0.06 -0.67 1.17 0.00 -0.17 0.00 0.00 175.17 175.56 3fa3 n ALA 88 N 0.62 2.56 -0.08 3.66 0.00 -0.98 -4.82 120.51 121.47 3fa3 n ALA 88 Ca 0.01 -2.52 0.00 0.00 0.00 0.00 0.00 53.44 50.93 3fa3 n ALA 88 Cb 0.41 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 0.20 0.00 -0.00 0.00 8.00 -1.23 -0.65 116.55 122.87 3fa3 n ASP 89 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 3fa3 n ASP 89 Cb 1.06 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.16 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 0.96 -0.59 -3.53 -2.24 -1.26 -1.37 114.28 106.25 3fa3 n THR 90 Ca 0.00 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 3fa3 n THR 90 Cb 0.00 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.49 0.74 2.55 3.38 0.00 0.18 -4.47 105.19 107.09 3fa3 n GLY 91 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.37 0.00 0.00 1.61 4.02 -1.26 -2.76 117.16 116.39 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 -2.94 0.00 0.00 -0.02 0.00 0.00 39.34 36.38 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 -0.65 -0.48 0.00 2.72 0.00 -1.26 -4.89 105.19 100.62 3fa3 n GLY 93 Ca -0.16 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 1.42 0.35 -0.02 0.00 -1.26 -4.72 105.19 100.95 3fa3 n GLY 94 Ca 0.00 -1.98 -0.05 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.15 -0.95 1.61 0.11 -1.94 0.15 132.00 130.83 3fa3 h PRO 95 Ca 0.00 0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.24 3fa3 h PRO 95 Cb 0.00 0.03 -0.14 0.00 0.11 0.00 0.00 31.00 31.01 3fa3 h PRO 95 CO 0.00 -0.10 -0.46 -0.89 -0.21 0.00 0.00 178.00 176.34 3fa3 n ILE 96 N -5.43 -0.57 -0.02 4.15 2.08 -1.26 -0.24 119.36 118.07 3fa3 n ILE 96 Ca 0.04 2.27 -0.18 0.00 0.56 0.00 0.00 62.75 65.45 3fa3 n ILE 96 Cb 0.36 -2.91 -0.08 0.00 -0.75 0.00 0.00 39.64 36.26 3fa3 n ILE 96 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 3fa3 h MET 97 N 0.00 0.76 -0.27 0.38 2.86 -1.55 -1.63 114.93 115.48 3fa3 h MET 97 Ca 0.25 -0.64 0.06 0.00 -2.06 0.00 0.00 59.70 57.31 3fa3 h MET 97 Cb 0.48 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 32.22 3fa3 h MET 97 CO -0.92 1.24 -0.14 0.28 1.06 0.00 0.00 176.91 178.43 3fa3 h VAL 98 N 0.47 0.58 -0.21 -2.22 2.07 -0.52 0.31 116.25 116.73 3fa3 h VAL 98 Ca -0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.52 3fa3 h VAL 98 Cb 1.41 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 3fa3 h VAL 98 CO 0.16 0.00 -0.31 0.00 0.02 0.00 0.00 177.57 177.44 3fa3 h ALA 99 N 1.10 -0.29 -0.74 1.67 0.00 -0.50 -0.82 119.26 119.69 3fa3 h ALA 99 Ca 0.14 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.16 3fa3 h ALA 99 Cb 0.32 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 3fa3 h ALA 99 CO -0.34 -0.76 0.43 0.00 0.00 0.00 0.00 179.25 178.59 3fa3 h ARG 100 N -0.34 0.76 -0.75 0.00 3.08 -0.76 -1.84 114.38 114.54 3fa3 h ARG 100 Ca 0.12 -0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.27 3fa3 h ARG 100 Cb 0.53 -0.17 -0.10 0.00 0.08 0.00 0.00 29.97 30.31 3fa3 h ARG 100 CO -0.40 0.51 0.27 1.15 -1.07 0.00 0.00 179.97 180.43 3fa3 h THR 101 N 0.79 0.62 -0.46 2.04 2.02 0.40 -0.35 112.91 117.97 3fa3 h THR 101 Ca 0.33 -0.14 -0.13 0.00 0.77 0.00 0.00 66.41 67.25 3fa3 h THR 101 Cb 0.18 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3fa3 h THR 101 CO -0.18 0.07 -0.20 0.74 0.37 0.00 0.00 175.52 176.32 3fa3 h THR 102 N 0.40 1.27 -0.04 3.16 2.02 -0.72 -1.31 112.91 117.69 3fa3 h THR 102 Ca 0.42 -1.36 -0.09 0.00 0.77 0.00 0.00 66.41 66.15 3fa3 h THR 102 Cb 0.66 1.13 0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3fa3 h THR 102 CO -0.43 0.47 -0.34 -0.33 0.37 0.00 0.00 175.52 175.25 3fa3 h GLU 103 N 0.81 0.29 -0.21 6.66 5.08 -0.75 -0.60 114.58 125.87 3fa3 h GLU 103 Ca 0.11 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 3fa3 h GLU 103 Cb 0.76 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3fa3 h GLU 103 CO 0.06 0.94 0.06 1.96 -1.00 0.00 0.00 179.01 181.04 3fa3 h GLN 104 N -0.26 0.32 -0.36 2.33 4.20 -1.07 0.75 115.11 121.03 3fa3 h GLN 104 Ca -0.03 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3fa3 h GLN 104 Cb 1.03 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 3fa3 h GLN 104 CO 0.07 0.42 0.12 1.88 -0.67 0.00 0.00 178.83 180.65 3fa3 h TYR 105 N 0.16 0.51 0.58 2.96 -1.99 -1.31 0.16 116.97 118.05 3fa3 h TYR 105 Ca 0.07 -0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 3fa3 h TYR 105 Cb 0.23 -0.16 0.01 0.00 2.00 0.00 0.00 36.73 38.81 3fa3 h TYR 105 CO 0.00 0.43 -0.28 0.77 -0.00 0.00 0.00 178.16 179.08 3fa3 h SER 106 N 0.51 -0.66 -0.62 3.88 0.02 -0.11 -2.13 113.55 114.43 3fa3 h SER 106 Ca 0.12 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.15 3fa3 h SER 106 Cb 0.15 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 3fa3 h SER 106 CO -0.01 -0.42 0.42 0.03 -1.14 0.00 0.00 176.83 175.71 3fa3 h ARG 107 N -0.86 0.49 0.00 3.45 3.08 -0.47 0.19 114.38 120.26 3fa3 h ARG 107 Ca -0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3fa3 h ARG 107 Cb 0.63 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 3fa3 h ARG 107 CO 0.13 0.33 -0.05 0.77 -1.07 0.00 0.00 179.97 180.08 3fa3 h SER 108 N 0.51 0.00 0.00 7.04 0.02 -0.62 -3.46 113.55 117.04 3fa3 h SER 108 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3fa3 h SER 108 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3fa3 h SER 108 CO -0.09 0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.26 3fa3 n GLY 109 N -0.52 0.64 3.59 -3.77 0.00 0.65 -4.64 105.19 101.14 3fa3 n GLY 109 Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.99 1.43 -0.09 1.61 0.31 -0.82 -4.41 118.33 114.38 3fa3 n VAL 110 Ca 0.00 -0.36 -0.10 0.00 -0.01 0.00 0.00 64.34 63.88 3fa3 n VAL 110 Cb 0.00 -0.94 -0.16 0.00 -0.91 0.00 0.00 33.84 31.83 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 0.90 1.51 -3.50 3.52 0.00 -0.72 -4.56 120.51 117.67 3fa3 n ALA 111 Ca 0.12 -1.23 -0.15 0.00 0.00 0.00 0.00 53.44 52.18 3fa3 n ALA 111 Cb 0.28 -0.30 -0.05 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.52 -1.75 0.11 0.00 0.00 -0.75 -2.16 121.76 114.70 3fa3 s ALA 112 Ca -0.09 1.12 -0.08 0.00 0.00 0.00 0.00 51.96 52.91 3fa3 s ALA 112 Cb 0.06 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 3fa3 s ALA 112 CO 0.83 -0.49 0.21 -0.59 0.00 0.00 0.00 175.76 175.72 3fa3 s PHE 113 N -1.99 0.25 -0.06 0.00 -0.12 -0.02 -0.89 117.98 115.15 3fa3 s PHE 113 Ca -0.05 -0.66 0.05 0.00 -0.05 0.00 0.00 56.93 56.21 3fa3 s PHE 113 Cb -0.00 -0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 42.30 3fa3 s PHE 113 CO 0.01 -0.59 -0.21 -3.38 -0.05 0.00 0.00 175.22 171.00 3fa3 s HIS 114 N -3.90 2.54 -0.12 3.49 -3.43 -1.07 0.51 115.29 113.31 3fa3 s HIS 114 Ca 0.09 -0.57 0.03 0.00 -0.80 0.00 0.00 55.06 53.81 3fa3 s HIS 114 Cb 0.05 -1.63 -0.00 0.00 -1.43 0.00 0.00 32.58 29.56 3fa3 s HIS 114 CO -0.07 -0.12 -0.21 0.42 -2.00 0.00 0.00 174.74 172.76 3fa3 s ILE 115 N -0.25 2.31 0.54 -5.38 1.01 -0.94 -2.32 121.20 116.17 3fa3 s ILE 115 Ca -0.00 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 59.80 3fa3 s ILE 115 Cb -0.13 -1.92 0.07 0.00 0.01 0.00 0.00 42.46 40.49 3fa3 s ILE 115 CO 0.03 0.55 0.58 -1.84 0.00 0.00 0.00 174.94 174.26 3fa3 n GLU 116 N 3.66 0.67 -0.90 2.79 0.28 -0.47 -1.31 120.64 125.37 3fa3 n GLU 116 Ca -0.19 -3.10 -0.04 0.00 -0.16 0.00 0.00 57.16 53.67 3fa3 n GLU 116 Cb 0.53 0.05 0.27 0.00 1.43 0.00 0.00 31.44 33.71 3fa3 n GLU 116 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3fa3 n ASP 117 N -2.12 4.19 -4.93 -1.84 5.75 -1.22 -4.73 116.55 111.66 3fa3 n ASP 117 Ca 0.07 -3.31 -0.25 0.00 -0.01 0.00 0.00 54.79 51.29 3fa3 n ASP 117 Cb 0.58 -0.70 0.06 0.00 -1.03 0.00 0.00 41.12 40.04 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 -3.03 2.24 0.71 0.11 -0.21 -1.26 -0.32 119.66 117.89 3fa3 s GLN 118 Ca 0.51 -0.31 -0.14 0.00 0.02 0.00 0.00 55.36 55.44 3fa3 s GLN 118 Cb 0.42 -2.20 0.03 0.00 1.00 0.00 0.00 33.01 32.26 3fa3 s GLN 118 CO 0.10 -1.18 1.14 0.14 -2.12 0.00 0.00 175.29 173.37 3fa3 s VAL 119 N -3.20 2.86 0.57 1.09 -7.23 -0.61 -4.38 120.40 109.50 3fa3 s VAL 119 Ca 0.60 0.38 0.26 0.00 -1.81 0.00 0.00 61.98 61.41 3fa3 s VAL 119 Cb -0.11 -2.88 0.34 0.00 0.56 0.00 0.00 36.38 34.30 3fa3 s VAL 119 CO 0.44 -0.26 2.14 -0.61 -0.31 0.00 0.00 175.10 176.50 3fa3 h GLN 120 N -0.34 0.00 -2.61 4.82 4.15 -1.96 -2.35 115.11 116.83 3fa3 h GLN 120 Ca -0.46 0.00 -0.70 0.00 0.77 0.00 0.00 58.65 58.26 3fa3 h GLN 120 Cb 1.26 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.85 3fa3 h GLN 120 CO 0.51 0.00 2.40 0.25 -1.93 0.00 0.00 178.83 180.07 3fa3 n THR 121 N -4.02 4.91 -0.33 2.39 -2.24 -1.26 -4.80 114.28 108.93 3fa3 n THR 121 Ca 0.00 -3.91 -0.30 0.00 -2.27 0.00 0.00 64.05 57.58 3fa3 n THR 121 Cb 0.24 -2.11 0.29 0.00 -2.10 0.00 0.00 70.33 66.65 3fa3 n THR 121 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3fa3 s LYS 122 N -0.69 -2.63 0.02 -0.78 -2.85 -0.88 -4.80 119.74 107.13 3fa3 s LYS 122 Ca 0.57 0.36 -0.10 0.00 -1.00 0.00 0.00 55.97 55.80 3fa3 s LYS 122 Cb 0.20 -1.39 0.01 0.00 -2.06 0.00 0.00 37.83 34.59 3fa3 s LYS 122 CO -0.10 -4.73 0.21 0.50 0.10 0.00 0.00 175.35 171.33 3fa3 s ARG 123 N -4.84 0.64 0.60 1.78 3.52 -1.26 -2.89 118.95 116.50 3fa3 s ARG 123 Ca 0.68 -0.48 -0.18 0.00 -0.13 0.00 0.00 55.73 55.63 3fa3 s ARG 123 Cb -0.17 0.27 -0.07 0.00 -1.56 0.00 0.00 34.95 33.42 3fa3 s ARG 123 CO 0.60 -0.18 0.66 0.00 -0.81 0.00 0.00 175.30 175.58 3fa3 h GLY 125 N 0.21 0.00 -3.44 0.00 0.00 -2.00 -3.19 103.07 94.65 3fa3 h GLY 125 Ca -0.46 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.36 3fa3 h GLY 125 CO 0.47 0.00 -0.31 1.42 0.00 0.00 0.00 176.54 178.12 3fa3 n HIS 126 N -3.29 2.50 -4.09 5.60 8.25 -1.26 -4.82 115.22 118.10 3fa3 n HIS 126 Ca -0.01 -2.28 -0.14 0.00 -0.26 0.00 0.00 57.72 55.02 3fa3 n HIS 126 Cb 0.26 -0.61 -0.13 0.00 1.12 0.00 0.00 29.99 30.63 3fa3 n HIS 126 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3fa3 s LEU 127 N -3.59 2.11 0.40 2.41 2.96 -1.21 -4.82 118.68 116.95 3fa3 s LEU 127 Ca 0.53 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 3fa3 s LEU 127 Cb 0.43 -0.19 -0.00 0.00 0.50 0.00 0.00 46.19 46.93 3fa3 s LEU 127 CO 0.02 -0.05 0.57 0.00 -1.32 0.00 0.00 176.35 175.57 3fa3 s ALA 128 N -0.61 4.10 0.00 5.97 0.00 -1.26 -4.50 121.76 125.45 3fa3 s ALA 128 Ca -0.03 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.57 3fa3 s ALA 128 Cb -0.05 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.22 3fa3 s ALA 128 CO -0.00 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.93 3fa3 n GLY 129 N -1.87 0.84 3.75 0.00 0.00 -1.26 -5.01 105.19 101.64 3fa3 n GLY 129 Ca 0.02 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 3fa3 n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fa3 s LYS 130 N -1.39 4.41 -0.16 1.61 1.02 -1.26 -5.00 119.74 118.97 3fa3 s LYS 130 Ca 0.00 2.07 -0.01 0.00 0.02 0.00 0.00 55.97 58.05 3fa3 s LYS 130 Cb 0.00 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.14 3fa3 s LYS 130 CO 0.00 -0.17 -0.11 0.42 -0.92 0.00 0.00 175.35 174.57 3fa3 s ILE 131 N -0.42 3.09 0.04 2.17 -1.09 -1.26 -4.95 121.20 118.78 3fa3 s ILE 131 Ca 0.53 -0.63 0.06 0.00 -2.23 0.00 0.00 60.65 58.38 3fa3 s ILE 131 Cb -0.37 -2.33 -0.03 0.00 -1.58 0.00 0.00 42.46 38.15 3fa3 s ILE 131 CO 0.43 0.50 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.74 3fa3 s LEU 132 N 0.70 2.83 0.61 2.97 2.01 -1.26 -1.58 118.68 124.96 3fa3 s LEU 132 Ca -0.05 -0.34 0.02 0.00 0.01 0.00 0.00 54.13 53.76 3fa3 s LEU 132 Cb -0.15 -1.65 0.07 0.00 0.01 0.00 0.00 46.19 44.47 3fa3 s LEU 132 CO 0.02 0.25 0.85 0.54 1.01 0.00 0.00 176.35 179.02 3fa3 s VAL 133 N -0.99 2.44 0.96 -1.59 0.11 0.56 -4.73 120.40 117.15 3fa3 s VAL 133 Ca 0.16 -0.68 -0.13 0.00 -2.93 0.00 0.00 61.98 58.40 3fa3 s VAL 133 Cb -0.11 -2.76 0.17 0.00 -1.53 0.00 0.00 36.38 32.15 3fa3 s VAL 133 CO 0.07 0.00 1.13 1.51 -3.33 0.00 0.00 175.10 174.49 3fa3 s ASP 134 N -4.56 3.06 0.04 3.54 -4.77 -1.26 -4.86 116.67 107.87 3fa3 s ASP 134 Ca 0.61 0.96 -0.23 0.00 -3.30 0.00 0.00 52.55 50.58 3fa3 s ASP 134 Cb -0.08 -1.51 -0.16 0.00 -1.09 0.00 0.00 42.92 40.09 3fa3 s ASP 134 CO 0.40 -2.83 1.51 0.74 0.70 0.00 0.00 175.17 175.69 3fa3 h THR 135 N -1.69 1.21 -0.22 2.11 2.02 -1.97 -2.29 112.91 112.07 3fa3 h THR 135 Ca -0.51 -0.62 0.05 0.00 0.77 0.00 0.00 66.41 66.09 3fa3 h THR 135 Cb 1.33 1.52 -0.07 0.00 -1.74 0.00 0.00 68.15 69.19 3fa3 h THR 135 CO 0.58 0.17 -0.47 0.44 0.37 0.00 0.00 175.52 176.61 3fa3 h ASP 136 N -0.15 -1.50 -0.05 4.18 3.32 -1.99 -0.07 116.42 120.17 3fa3 h ASP 136 Ca 0.02 0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.29 3fa3 h ASP 136 Cb 0.26 0.61 -0.06 0.00 0.22 0.00 0.00 39.33 40.37 3fa3 h ASP 136 CO 0.00 -0.43 -0.49 0.74 -1.72 0.00 0.00 179.24 177.34 3fa3 h THR 137 N -0.47 0.06 -0.57 0.35 2.02 -1.94 0.29 112.91 112.65 3fa3 h THR 137 Ca 0.08 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.31 3fa3 h THR 137 Cb 0.63 0.06 -0.07 0.00 -1.74 0.00 0.00 68.15 67.03 3fa3 h THR 137 CO -0.47 0.00 -0.34 0.00 0.37 0.00 0.00 175.52 175.09 3fa3 n TYR 138 N -5.45 -0.25 -0.07 3.16 9.36 -0.87 -0.95 117.16 122.09 3fa3 n TYR 138 Ca -0.06 0.71 0.04 0.00 3.32 0.00 0.00 57.90 61.91 3fa3 n TYR 138 Cb 0.38 -0.52 0.38 0.00 -0.63 0.00 0.00 39.34 38.96 3fa3 n TYR 138 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3fa3 h VAL 139 N 0.00 1.11 -0.87 2.97 2.07 -0.00 0.29 116.25 121.82 3fa3 h VAL 139 Ca 0.09 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.47 3fa3 h VAL 139 Cb 0.23 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.32 3fa3 h VAL 139 CO -0.53 0.12 0.56 0.74 0.02 0.00 0.00 177.57 178.48 3fa3 h THR 140 N 0.67 0.97 -0.11 2.57 2.02 0.11 0.35 112.91 119.49 3fa3 h THR 140 Ca 0.20 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3fa3 h THR 140 Cb -0.02 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.43 3fa3 h THR 140 CO -0.05 0.16 -0.03 0.03 0.37 0.00 0.00 175.52 176.00 3fa3 h ARG 141 N 0.86 0.21 -0.55 6.66 3.08 0.14 -1.67 114.38 123.11 3fa3 h ARG 141 Ca 0.40 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.30 3fa3 h ARG 141 Cb 0.39 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3fa3 h ARG 141 CO -0.16 0.52 0.07 0.82 -1.07 0.00 0.00 179.97 180.15 3fa3 h ILE 142 N -0.11 1.26 0.00 2.04 1.08 -0.51 -1.58 117.51 119.69 3fa3 h ILE 142 Ca 0.03 -1.00 -0.07 0.00 -0.39 0.00 0.00 64.86 63.43 3fa3 h ILE 142 Cb 0.44 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 3fa3 h ILE 142 CO 0.01 0.36 -0.35 -0.09 -0.69 0.00 0.00 178.15 177.39 3fa3 h ARG 143 N 0.81 0.00 -0.52 2.37 2.43 -0.31 -2.36 114.38 116.81 3fa3 h ARG 143 Ca 0.16 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3fa3 h ARG 143 Cb 0.44 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 3fa3 h ARG 143 CO 0.01 0.35 0.20 0.00 -1.51 0.00 0.00 179.97 179.03 3fa3 h ALA 144 N 1.65 0.67 -0.33 2.80 0.00 -0.32 0.23 119.26 123.96 3fa3 h ALA 144 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3fa3 h ALA 144 Cb 0.66 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3fa3 h ALA 144 CO 0.05 0.28 0.12 0.00 0.00 0.00 0.00 179.25 179.70 3fa3 h ALA 145 N 1.05 0.42 0.63 0.00 0.00 -1.08 -0.31 119.26 119.97 3fa3 h ALA 145 Ca 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3fa3 h ALA 145 Cb 0.20 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3fa3 h ALA 145 CO -0.01 0.04 -0.30 0.28 0.00 0.00 0.00 179.25 179.25 3fa3 h VAL 146 N 0.37 0.38 -0.45 0.00 2.07 -1.30 -1.01 116.25 116.31 3fa3 h VAL 146 Ca 0.11 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 3fa3 h VAL 146 Cb 0.21 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3fa3 h VAL 146 CO -0.01 0.00 0.22 1.56 0.02 0.00 0.00 177.57 179.37 3fa3 h GLN 147 N -0.84 0.65 -0.70 1.57 4.20 -0.90 -2.47 115.11 116.61 3fa3 h GLN 147 Ca -0.09 -0.09 0.05 0.00 0.06 0.00 0.00 58.65 58.59 3fa3 h GLN 147 Cb 0.65 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 3fa3 h GLN 147 CO 0.14 0.54 0.46 0.00 -0.67 0.00 0.00 178.83 179.30 3fa3 h ALA 148 N 1.07 1.68 -0.26 3.87 0.00 -0.92 0.28 119.26 124.98 3fa3 h ALA 148 Ca 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3fa3 h ALA 148 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3fa3 h ALA 148 CO -0.02 0.22 0.01 -0.09 0.00 0.00 0.00 179.25 179.37 3fa3 h ARG 149 N 0.76 0.46 -0.04 0.00 2.43 -0.74 -3.07 114.38 114.17 3fa3 h ARG 149 Ca 0.29 -0.14 -0.21 0.00 -0.81 0.00 0.00 59.98 59.12 3fa3 h ARG 149 Cb 0.19 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3fa3 h ARG 149 CO -0.09 0.61 -0.84 -0.56 -1.51 0.00 0.00 179.97 177.58 3fa3 h GLN 150 N 0.25 0.42 -0.63 0.20 3.07 -1.10 0.55 115.11 117.86 3fa3 h GLN 150 Ca 0.08 -0.39 0.18 0.00 0.09 0.00 0.00 58.65 58.60 3fa3 h GLN 150 Cb 0.40 0.10 -0.03 0.00 0.08 0.00 0.00 27.48 28.03 3fa3 h GLN 150 CO 0.01 1.05 0.45 -0.09 0.09 0.00 0.00 178.83 180.34 3fa3 h ARG 151 N 0.26 0.04 -0.37 0.06 2.43 -0.36 -2.38 114.38 114.06 3fa3 h ARG 151 Ca -0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3fa3 h ARG 151 Cb 1.45 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 3fa3 h ARG 151 CO 0.14 0.03 0.00 0.44 -1.51 0.00 0.00 179.97 179.07 3fa3 n ILE 152 N -4.37 0.64 -1.21 1.20 -5.35 -1.01 -4.97 119.36 104.29 3fa3 n ILE 152 Ca 0.12 -0.82 -0.07 0.00 -0.27 0.00 0.00 62.75 61.71 3fa3 n ILE 152 Cb 0.68 0.81 -0.03 0.00 -1.74 0.00 0.00 39.64 39.36 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 1.09 0.93 3.74 3.28 0.00 -0.90 -5.00 105.19 108.34 3fa3 n GLY 153 Ca 0.16 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 7.36 0.00 1.61 0.15 0.14 -4.95 113.70 115.24 3fa3 s SER 154 Ca 0.00 1.62 0.14 0.00 0.70 0.00 0.00 55.95 58.42 3fa3 s SER 154 Cb 0.00 -2.52 0.66 0.00 -1.71 0.00 0.00 66.02 62.44 3fa3 s SER 154 CO 0.00 0.02 1.45 0.47 1.20 0.00 0.00 173.24 176.38 3fa3 n ASP 155 N 2.57 0.77 -4.55 5.45 8.00 -1.26 -4.58 116.55 122.95 3fa3 n ASP 155 Ca -0.01 -1.71 -0.40 0.00 0.71 0.00 0.00 54.79 53.38 3fa3 n ASP 155 Cb 0.49 -0.07 0.03 0.00 -0.02 0.00 0.00 41.12 41.56 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 -0.21 2.59 -3.43 0.53 3.06 -1.26 -4.65 119.36 116.00 3fa3 n ILE 156 Ca 0.11 -0.50 -0.38 0.00 -2.50 0.00 0.00 62.75 59.48 3fa3 n ILE 156 Cb 0.16 -0.92 -0.08 0.00 0.54 0.00 0.00 39.64 39.33 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 -1.49 5.21 -0.38 9.51 1.01 -0.92 -4.99 120.40 128.35 3fa3 s VAL 157 Ca 0.68 0.59 -0.17 0.00 0.00 0.00 0.00 61.98 63.08 3fa3 s VAL 157 Cb -0.50 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.20 3fa3 s VAL 157 CO 0.54 0.23 0.42 -0.69 0.00 0.00 0.00 175.10 175.60 3fa3 s VAL 158 N 1.52 5.11 -0.38 2.92 1.01 -1.26 -0.84 120.40 128.47 3fa3 s VAL 158 Ca 0.16 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 3fa3 s VAL 158 Cb -0.15 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.29 3fa3 s VAL 158 CO 0.08 -0.27 0.31 -0.63 0.00 0.00 0.00 175.10 174.59 3fa3 s ILE 159 N 2.13 5.24 -0.52 2.22 1.01 0.18 -1.64 121.20 129.82 3fa3 s ILE 159 Ca 0.13 -0.42 -0.28 0.00 0.00 0.00 0.00 60.65 60.07 3fa3 s ILE 159 Cb -0.17 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.45 3fa3 s ILE 159 CO 0.13 -0.22 1.30 0.00 0.00 0.00 0.00 174.94 176.15 3fa3 s ALA 160 N 1.79 2.98 -0.10 9.38 0.00 0.15 -2.21 121.76 133.74 3fa3 s ALA 160 Ca 0.07 -0.56 -0.09 0.00 0.00 0.00 0.00 51.96 51.37 3fa3 s ALA 160 Cb -0.18 -4.01 -0.05 0.00 0.00 0.00 0.00 23.12 18.88 3fa3 s ALA 160 CO 0.11 -2.61 0.21 0.50 0.00 0.00 0.00 175.76 173.97 3fa3 s ARG 161 N 5.03 3.66 -0.02 0.00 3.52 -0.42 0.11 118.95 130.83 3fa3 s ARG 161 Ca 0.51 0.01 0.07 0.00 -0.13 0.00 0.00 55.73 56.19 3fa3 s ARG 161 Cb -0.10 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 30.04 3fa3 s ARG 161 CO 0.28 0.69 -0.21 -0.08 -0.81 0.00 0.00 175.30 175.18 3fa3 s THR 162 N -0.86 2.49 -1.04 4.11 -1.32 -0.16 -3.43 115.64 115.43 3fa3 s THR 162 Ca 0.17 -1.02 0.15 0.00 -1.21 0.00 0.00 61.69 59.78 3fa3 s THR 162 Cb -0.13 -1.94 0.47 0.00 -1.51 0.00 0.00 72.50 69.39 3fa3 s THR 162 CO 0.06 0.53 1.39 0.47 -2.21 0.00 0.00 174.62 174.86 3fa3 n ASP 163 N 2.22 3.56 -0.59 8.08 8.00 -1.26 -2.37 116.55 134.18 3fa3 n ASP 163 Ca -0.16 -2.22 0.14 0.00 0.71 0.00 0.00 54.79 53.25 3fa3 n ASP 163 Cb 0.52 -0.38 0.42 0.00 -0.02 0.00 0.00 41.12 41.66 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 0.68 1.84 0.14 -2.24 3.41 -1.26 -3.97 113.62 112.21 3fa3 n SER 164 Ca 0.18 -1.61 -0.13 0.00 -0.26 0.00 0.00 58.87 57.05 3fa3 n SER 164 Cb 0.60 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.50 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 2.88 -0.66 -1.94 1.04 5.85 -1.84 0.43 115.31 121.08 3fa3 h LEU 165 Ca 0.00 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3fa3 h LEU 165 Cb 0.62 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 3fa3 h LEU 165 CO 0.00 -0.34 -0.11 0.06 -0.34 0.00 0.00 178.44 177.72 3fa3 h GLN 166 N -0.47 0.00 0.04 1.25 3.07 -1.91 0.99 115.11 118.08 3fa3 h GLN 166 Ca 0.01 0.00 -0.37 0.00 0.09 0.00 0.00 58.65 58.39 3fa3 h GLN 166 Cb 0.47 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.98 3fa3 h GLN 166 CO -0.10 0.11 -2.11 2.41 0.09 0.00 0.00 178.83 179.23 3fa3 n THR 167 N -4.00 1.61 -0.01 1.86 -1.04 -1.17 -4.67 114.28 106.86 3fa3 n THR 167 Ca -0.02 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 3fa3 n THR 167 Cb 0.19 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 3fa3 n THR 167 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3fa3 n HIS 168 N -3.73 0.00 -0.17 -1.42 8.25 0.13 -5.13 115.22 113.15 3fa3 n HIS 168 Ca -0.40 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.08 3fa3 n HIS 168 Cb 0.93 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.04 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 0.05 -1.86 0.12 -1.41 0.00 0.33 -4.20 105.19 98.22 3fa3 n GLY 169 Ca 0.00 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.16 0.31 -0.34 1.61 3.20 -1.89 -2.54 116.97 117.16 3fa3 h TYR 170 Ca -0.01 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 3fa3 h TYR 170 Cb 0.16 -0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.25 3fa3 h TYR 170 CO -0.10 0.27 -0.31 0.93 -1.64 0.00 0.00 178.16 177.30 3fa3 h GLU 171 N 0.26 -0.27 -0.28 1.82 4.39 -1.98 0.22 114.58 118.74 3fa3 h GLU 171 Ca 0.08 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.80 3fa3 h GLU 171 Cb 0.06 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3fa3 h GLU 171 CO -0.01 -0.18 0.19 1.49 -1.16 0.00 0.00 179.01 179.34 3fa3 h GLU 172 N -0.28 0.36 -0.33 2.33 4.57 -1.66 -0.71 114.58 118.86 3fa3 h GLU 172 Ca 0.16 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.24 3fa3 h GLU 172 Cb 0.53 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 3fa3 h GLU 172 CO -0.49 0.24 -0.10 0.77 -1.18 0.00 0.00 179.01 178.25 3fa3 h SER 173 N 0.37 0.67 -0.21 1.04 0.02 -0.26 -0.73 113.55 114.45 3fa3 h SER 173 Ca 0.11 -0.38 -0.10 0.00 -0.84 0.00 0.00 61.79 60.58 3fa3 h SER 173 Cb -0.02 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 3fa3 h SER 173 CO -0.02 0.89 -0.27 0.58 -1.14 0.00 0.00 176.83 176.86 3fa3 h VAL 174 N 0.43 1.33 -0.32 2.27 2.07 -0.42 -2.01 116.25 119.61 3fa3 h VAL 174 Ca 0.08 -1.47 0.04 0.00 0.82 0.00 0.00 66.70 66.18 3fa3 h VAL 174 Cb 0.61 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 3fa3 h VAL 174 CO 0.04 0.45 0.08 0.00 0.02 0.00 0.00 177.57 178.16 3fa3 h ALA 175 N 0.63 0.35 -0.86 1.67 0.00 -0.89 0.91 119.26 121.07 3fa3 h ALA 175 Ca 0.03 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3fa3 h ALA 175 Cb 0.84 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3fa3 h ALA 175 CO 0.06 -0.32 0.44 0.00 0.00 0.00 0.00 179.25 179.43 3fa3 h ARG 176 N 0.20 1.22 0.02 0.00 3.08 -1.12 0.18 114.38 117.96 3fa3 h ARG 176 Ca 0.15 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3fa3 h ARG 176 Cb 0.15 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3fa3 h ARG 176 CO -0.18 0.91 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.55 3fa3 h LEU 177 N 1.22 -0.02 -0.82 3.04 3.38 -0.46 -0.56 115.31 121.08 3fa3 h LEU 177 Ca 0.30 -0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.38 3fa3 h LEU 177 Cb 0.08 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 40.71 3fa3 h LEU 177 CO -0.04 0.07 0.27 0.03 0.09 0.00 0.00 178.44 178.86 3fa3 h ARG 178 N -0.10 0.31 -0.44 1.13 3.08 0.14 -1.63 114.38 116.86 3fa3 h ARG 178 Ca -0.00 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3fa3 h ARG 178 Cb 0.10 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3fa3 h ARG 178 CO 0.00 0.21 0.11 0.00 -1.07 0.00 0.00 179.97 179.22 3fa3 h ALA 179 N 1.67 0.58 0.14 0.04 0.00 -0.08 -2.33 119.26 119.30 3fa3 h ALA 179 Ca 0.49 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3fa3 h ALA 179 Cb 0.90 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3fa3 h ALA 179 CO -0.54 0.26 -0.20 0.00 0.00 0.00 0.00 179.25 178.78 3fa3 h ALA 180 N 0.97 -0.36 -0.75 0.00 0.00 -0.25 -1.88 119.26 116.99 3fa3 h ALA 180 Ca 0.14 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.13 3fa3 h ALA 180 Cb 0.31 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 3fa3 h ALA 180 CO 0.00 -0.74 0.34 -0.09 0.00 0.00 0.00 179.25 178.76 3fa3 h ARG 181 N -0.40 0.51 -0.39 0.00 1.12 -1.24 0.53 114.38 114.51 3fa3 h ARG 181 Ca 0.02 -0.03 0.10 0.00 -1.11 0.00 0.00 59.98 58.95 3fa3 h ARG 181 Cb 0.40 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.23 3fa3 h ARG 181 CO -0.09 0.34 0.28 -0.44 -3.11 0.00 0.00 179.97 176.95 3fa3 h ASP 182 N 0.52 0.07 -0.05 -3.80 5.19 -1.28 -2.33 116.42 114.75 3fa3 h ASP 182 Ca 0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.81 3fa3 h ASP 182 Cb 0.53 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.03 3fa3 h ASP 182 CO -0.35 0.04 0.00 0.00 -3.12 0.00 0.00 179.24 175.81 3fa3 n ALA 183 N -2.59 2.52 0.00 3.45 0.00 0.18 -4.92 120.51 119.15 3fa3 n ALA 183 Ca 0.06 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3fa3 n ALA 183 Cb 0.41 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 1.25 1.07 3.74 0.00 0.00 -0.74 -4.68 105.19 105.82 3fa3 n GLY 184 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 2.31 -0.10 4.61 0.00 -1.03 -4.92 121.76 120.62 3fa3 s ALA 185 Ca 0.00 0.78 0.16 0.00 0.00 0.00 0.00 51.96 52.89 3fa3 s ALA 185 Cb 0.00 -3.41 -0.18 0.00 0.00 0.00 0.00 23.12 19.53 3fa3 s ALA 185 CO 0.00 -1.54 0.72 -0.25 0.00 0.00 0.00 175.76 174.69 3fa3 n ASP 186 N -2.42 0.78 -3.74 0.00 8.00 -0.65 -4.69 116.55 113.83 3fa3 n ASP 186 Ca 0.12 0.35 -0.12 0.00 0.71 0.00 0.00 54.79 55.85 3fa3 n ASP 186 Cb 0.51 0.20 -0.11 0.00 -0.02 0.00 0.00 41.12 41.69 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 -2.81 -0.01 -0.09 2.53 1.01 -1.14 -4.39 120.40 115.49 3fa3 s VAL 187 Ca -0.04 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 3fa3 s VAL 187 Cb 0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 3fa3 s VAL 187 CO 0.82 0.02 0.19 -0.83 0.00 0.00 0.00 175.10 175.30 3fa3 s GLY 188 N 0.67 2.21 -0.36 4.51 0.00 -0.67 0.33 107.32 114.01 3fa3 s GLY 188 Ca -0.04 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.11 3fa3 s GLY 188 CO -0.04 -0.32 0.14 -0.12 0.00 0.00 0.00 173.10 172.76 3fa3 s PHE 189 N -1.07 2.11 -0.58 1.90 5.99 0.12 -0.95 117.98 125.50 3fa3 s PHE 189 Ca 0.18 -2.16 -0.21 0.00 0.00 0.00 0.00 56.93 54.73 3fa3 s PHE 189 Cb -0.13 -1.96 0.07 0.00 0.00 0.00 0.00 43.02 41.00 3fa3 s PHE 189 CO 0.07 -0.86 0.83 -1.17 -0.00 0.00 0.00 175.22 174.09 3fa3 s LEU 190 N 1.08 4.64 0.12 6.12 0.20 -1.26 -0.99 118.68 128.59 3fa3 s LEU 190 Ca 0.13 -0.89 -0.31 0.00 0.69 0.00 0.00 54.13 53.75 3fa3 s LEU 190 Cb -0.20 -2.51 -0.09 0.00 -0.43 0.00 0.00 46.19 42.96 3fa3 s LEU 190 CO -0.14 -1.19 1.56 -0.70 -0.29 0.00 0.00 176.35 175.59 3fa3 s GLU 191 N 3.43 4.23 -0.85 1.98 2.56 -1.00 -3.83 118.70 125.22 3fa3 s GLU 191 Ca 0.20 2.29 -0.01 0.00 0.00 0.00 0.00 54.97 57.46 3fa3 s GLU 191 Cb -0.18 -3.31 -0.01 0.00 2.00 0.00 0.00 34.13 32.63 3fa3 s GLU 191 CO 0.12 -0.61 0.71 0.41 -0.56 0.00 0.00 175.26 175.33 3fa3 n GLY 192 N 3.78 -0.24 3.73 -1.50 0.00 -1.26 -4.78 105.19 104.91 3fa3 n GLY 192 Ca 0.14 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 1.66 0.91 -0.61 5.41 -1.25 -4.81 119.36 117.50 3fa3 n ILE 193 Ca -0.18 -0.42 0.11 0.00 1.00 0.00 0.00 62.75 63.27 3fa3 n ILE 193 Cb 0.62 -1.76 0.06 0.00 -0.71 0.00 0.00 39.64 37.84 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 0.94 0.03 -3.48 1.39 -2.24 -1.26 -3.71 114.28 105.95 3fa3 n THR 194 Ca 0.05 -0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 3fa3 n THR 194 Cb 0.36 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 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 -3.20 -0.49 0.19 3.42 1.04 -1.26 -4.54 113.70 108.87 3fa3 s SER 195 Ca 0.08 0.14 -0.12 0.00 0.48 0.00 0.00 55.95 56.53 3fa3 s SER 195 Cb 0.16 0.49 0.18 0.00 0.10 0.00 0.00 66.02 66.95 3fa3 s SER 195 CO 0.79 -0.74 1.78 0.03 0.98 0.00 0.00 173.24 176.08 3fa3 h ARG 196 N 2.19 0.50 -0.57 4.02 3.08 -1.94 -0.72 114.38 120.94 3fa3 h ARG 196 Ca -0.27 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.76 3fa3 h ARG 196 Cb 1.25 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 3fa3 h ARG 196 CO 0.35 0.33 0.38 1.49 -1.07 0.00 0.00 179.97 181.44 3fa3 h GLU 197 N 0.51 0.73 -0.02 0.04 4.81 -1.99 -2.34 114.58 116.32 3fa3 h GLU 197 Ca 0.25 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.24 3fa3 h GLU 197 Cb 0.19 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3fa3 h GLU 197 CO -0.19 0.48 -0.84 1.98 -0.73 0.00 0.00 179.01 179.71 3fa3 h MET 198 N 0.75 0.31 -0.20 1.92 4.05 -1.82 -1.00 114.93 118.94 3fa3 h MET 198 Ca 0.21 -0.31 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 3fa3 h MET 198 Cb -0.07 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 3fa3 h MET 198 CO -0.05 0.99 0.11 0.00 0.23 0.00 0.00 176.91 178.19 3fa3 h ALA 199 N 0.91 0.26 0.00 0.39 0.00 -0.65 -1.68 119.26 118.50 3fa3 h ALA 199 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fa3 h ALA 199 Cb 1.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3fa3 h ALA 199 CO 0.14 -0.20 -0.16 2.89 0.00 0.00 0.00 179.25 181.92 3fa3 n ARG 200 N -4.88 0.20 0.23 0.00 1.85 -0.93 -3.17 116.66 109.95 3fa3 n ARG 200 Ca -0.03 0.13 -0.13 0.00 -1.00 0.00 0.00 57.85 56.82 3fa3 n ARG 200 Cb 0.08 -1.70 -0.07 0.00 -1.05 0.00 0.00 32.46 29.72 3fa3 n ARG 200 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 3fa3 h GLN 201 N 0.00 -0.61 -0.67 2.89 5.75 -0.73 -3.08 115.11 118.67 3fa3 h GLN 201 Ca 0.00 0.04 0.13 0.00 -0.15 0.00 0.00 58.65 58.67 3fa3 h GLN 201 Cb 0.68 0.14 -0.13 0.00 1.07 0.00 0.00 27.48 29.24 3fa3 h GLN 201 CO 0.00 -0.30 -0.20 -0.39 -2.65 0.00 0.00 178.83 175.29 3fa3 h VAL 202 N -1.00 0.29 -0.84 2.39 -1.51 -1.38 -0.09 116.25 114.11 3fa3 h VAL 202 Ca -0.06 0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.61 3fa3 h VAL 202 Cb 0.58 0.29 -0.13 0.00 -2.13 0.00 0.00 31.29 29.90 3fa3 h VAL 202 CO 0.11 0.00 0.26 0.40 -1.23 0.00 0.00 177.57 177.11 3fa3 h ILE 203 N -0.03 0.43 -0.00 7.19 2.04 -1.62 0.60 117.51 126.11 3fa3 h ILE 203 Ca 0.31 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 66.07 3fa3 h ILE 203 Cb 0.51 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3fa3 h ILE 203 CO -0.70 0.05 -0.01 -0.61 0.00 0.00 0.00 178.15 176.88 3fa3 h GLN 204 N 0.29 0.02 0.00 2.37 5.75 -1.06 0.48 115.11 122.96 3fa3 h GLN 204 Ca 0.51 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.99 3fa3 h GLN 204 Cb 0.96 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.51 3fa3 h GLN 204 CO -0.57 0.60 -0.04 -0.44 -2.65 0.00 0.00 178.83 175.74 3fa3 h ASP 205 N -0.57 0.00 -0.12 -0.69 3.32 -0.11 -1.56 116.42 116.69 3fa3 h ASP 205 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3fa3 h ASP 205 Cb 0.60 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 3fa3 h ASP 205 CO 0.00 0.04 -0.42 0.18 -1.72 0.00 0.00 179.24 177.32 3fa3 n LEU 206 N -3.87 3.16 -3.86 1.55 4.77 0.20 -5.05 117.00 113.89 3fa3 n LEU 206 Ca -0.03 -3.94 -0.50 0.00 -0.03 0.00 0.00 56.01 51.52 3fa3 n LEU 206 Cb 0.13 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 3fa3 n LEU 206 CO 0.29 1.42 0.45 0.00 -1.33 0.00 0.00 177.39 178.22 3fa3 n ALA 207 N -1.10 -3.17 0.00 -1.18 0.00 0.16 -1.59 120.51 113.63 3fa3 n ALA 207 Ca 0.24 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.18 3fa3 n ALA 207 Cb 0.78 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.33 1.95 3.68 0.00 0.00 -1.26 -5.06 105.19 105.83 3fa3 n GLY 208 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.10 3.26 0.12 1.61 -0.00 -0.62 -5.09 118.94 116.13 3fa3 s TRP 209 Ca 0.00 0.16 -0.31 0.00 -0.00 0.00 0.00 56.10 55.95 3fa3 s TRP 209 Cb 0.00 -1.94 -0.08 0.00 -0.00 0.00 0.00 33.47 31.45 3fa3 s TRP 209 CO 0.00 0.35 1.37 -2.14 -0.00 0.00 0.00 176.95 176.53 3fa3 s PRO 210 N -0.31 4.33 0.15 5.86 0.02 -1.26 -4.93 135.00 138.87 3fa3 s PRO 210 Ca 0.08 2.06 0.09 0.00 0.02 0.00 0.00 61.00 63.25 3fa3 s PRO 210 Cb -0.12 -3.24 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 3fa3 s PRO 210 CO 0.02 -0.40 -0.15 -0.51 -0.33 0.00 0.00 177.00 175.63 3fa3 s LEU 211 N 0.93 2.80 -0.07 -5.54 1.43 -1.26 -1.67 118.68 115.28 3fa3 s LEU 211 Ca 0.63 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 3fa3 s LEU 211 Cb -0.36 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 3fa3 s LEU 211 CO 0.31 0.14 0.04 -0.22 0.23 0.00 0.00 176.35 176.85 3fa3 s LEU 212 N -2.52 3.76 -0.25 1.79 0.20 -0.12 -0.59 118.68 120.95 3fa3 s LEU 212 Ca 0.22 0.19 -0.03 0.00 0.69 0.00 0.00 54.13 55.19 3fa3 s LEU 212 Cb -0.09 -1.94 0.01 0.00 -0.43 0.00 0.00 46.19 43.74 3fa3 s LEU 212 CO 0.12 0.36 -0.02 -0.22 -0.29 0.00 0.00 176.35 176.30 3fa3 s LEU 213 N -1.07 3.26 -0.38 -0.68 2.96 -0.16 -4.37 118.68 118.23 3fa3 s LEU 213 Ca 0.15 -0.71 -0.29 0.00 -0.22 0.00 0.00 54.13 53.07 3fa3 s LEU 213 Cb -0.12 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.86 3fa3 s LEU 213 CO 0.05 -0.11 1.25 0.21 -1.32 0.00 0.00 176.35 176.43 3fa3 s ASN 214 N 1.41 6.61 -0.87 3.68 3.84 -1.26 -2.23 114.94 126.11 3fa3 s ASN 214 Ca 0.02 0.88 0.01 0.00 0.21 0.00 0.00 52.86 53.98 3fa3 s ASN 214 Cb -0.16 -2.54 0.28 0.00 -0.55 0.00 0.00 41.25 38.28 3fa3 s ASN 214 CO -0.03 -1.19 1.13 0.80 -2.79 0.00 0.00 177.10 175.02 3fa3 n MET 215 N 7.59 3.54 -3.09 0.43 0.00 0.27 -4.77 117.12 121.08 3fa3 n MET 215 Ca 0.14 -4.62 -0.40 0.00 -0.00 0.00 0.00 57.70 52.82 3fa3 n MET 215 Cb 0.48 -2.39 -0.06 0.00 0.00 0.00 0.00 33.22 31.25 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 -2.63 4.99 0.33 1.12 1.01 -1.26 -4.62 120.40 119.33 3fa3 s VAL 216 Ca 0.35 1.22 -0.27 0.00 0.00 0.00 0.00 61.98 63.28 3fa3 s VAL 216 Cb 0.09 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 3fa3 s VAL 216 CO 0.05 0.07 1.09 -1.61 0.00 0.00 0.00 175.10 174.70 3fa3 s GLU 217 N 2.15 4.43 -1.20 2.72 2.02 -1.26 -4.16 118.70 123.40 3fa3 s GLU 217 Ca 0.29 1.71 -0.04 0.00 0.02 0.00 0.00 54.97 56.95 3fa3 s GLU 217 Cb -0.16 -2.93 0.00 0.00 0.10 0.00 0.00 34.13 31.15 3fa3 s GLU 217 CO 0.10 0.05 1.03 0.72 0.02 0.00 0.00 175.26 177.17 3fa3 n HIS 218 N 0.67 -2.39 0.00 1.61 8.25 -1.26 -4.95 115.22 117.15 3fa3 n HIS 218 Ca 0.01 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 58.39 3fa3 n HIS 218 Cb 0.46 -4.86 0.00 0.00 1.12 0.00 0.00 29.99 26.72 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 -1.52 3.86 0.24 -1.41 0.00 -1.26 -5.01 105.19 100.09 3fa3 n GLY 219 Ca -0.13 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 3.04 -3.18 4.61 0.00 -1.26 -4.89 120.51 115.83 3fa3 n ALA 220 Ca 0.00 -0.39 -0.34 0.00 0.00 0.00 0.00 53.44 52.71 3fa3 n ALA 220 Cb 0.00 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.16 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 -2.49 3.41 0.54 0.00 2.01 -1.24 -4.32 115.64 113.54 3fa3 s THR 221 Ca 0.25 -0.52 -0.22 0.00 0.31 0.00 0.00 61.69 61.52 3fa3 s THR 221 Cb 0.19 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 3fa3 s THR 221 CO 0.51 0.48 1.35 -2.16 -0.69 0.00 0.00 174.62 174.11 3fa3 s PRO 222 N 0.72 3.16 -0.31 4.92 0.04 -1.26 -4.38 135.00 137.88 3fa3 s PRO 222 Ca -0.04 2.21 -0.28 0.00 0.04 0.00 0.00 61.00 62.93 3fa3 s PRO 222 Cb -0.15 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 3fa3 s PRO 222 CO 0.02 -1.17 1.95 -1.12 0.04 0.00 0.00 177.00 176.72 3fa3 s SER 223 N -0.98 5.68 -0.11 6.66 0.01 -1.26 -4.99 113.70 118.72 3fa3 s SER 223 Ca 0.71 1.44 0.04 0.00 1.31 0.00 0.00 55.95 59.45 3fa3 s SER 223 Cb -0.40 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.31 3fa3 s SER 223 CO 0.47 -1.85 -0.23 -0.63 0.41 0.00 0.00 173.24 171.40 3fa3 s ILE 224 N 7.59 2.04 0.81 1.44 1.01 -1.26 -5.15 121.20 127.69 3fa3 s ILE 224 Ca 0.86 -1.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.39 3fa3 s ILE 224 Cb -0.25 -1.77 0.08 0.00 0.01 0.00 0.00 42.46 40.53 3fa3 s ILE 224 CO 0.33 0.55 1.13 -0.94 0.00 0.00 0.00 174.94 176.02 3fa3 s SER 225 N 0.43 4.44 0.11 3.58 1.04 -1.26 -4.86 113.70 117.18 3fa3 s SER 225 Ca -0.17 1.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.99 3fa3 s SER 225 Cb -0.18 -1.67 -0.11 0.00 0.10 0.00 0.00 66.02 64.17 3fa3 s SER 225 CO 0.07 -1.97 1.61 0.00 0.98 0.00 0.00 173.24 173.93 3fa3 h ALA 226 N -1.09 -0.66 -0.82 5.32 0.00 -2.01 -1.31 119.26 118.69 3fa3 h ALA 226 Ca -0.47 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 54.51 3fa3 h ALA 226 Cb 1.30 0.54 -0.10 0.00 0.00 0.00 0.00 17.79 19.54 3fa3 h ALA 226 CO 0.63 -0.92 0.39 0.00 0.00 0.00 0.00 179.25 179.35 3fa3 h ALA 227 N -0.08 1.21 -0.50 0.00 0.00 -2.00 -1.01 119.26 116.89 3fa3 h ALA 227 Ca 0.01 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3fa3 h ALA 227 Cb 0.62 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3fa3 h ALA 227 CO -0.15 -0.14 -0.15 1.49 0.00 0.00 0.00 179.25 180.30 3fa3 h GLU 228 N 0.55 0.96 -0.65 0.00 4.81 -1.88 -2.14 114.58 116.22 3fa3 h GLU 228 Ca 0.45 -0.37 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 3fa3 h GLU 228 Cb 0.67 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 3fa3 h GLU 228 CO -0.38 1.04 0.18 0.00 -0.73 0.00 0.00 179.01 179.11 3fa3 h ALA 229 N 0.97 1.08 0.93 2.92 0.00 -0.04 -1.89 119.26 123.24 3fa3 h ALA 229 Ca 0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3fa3 h ALA 229 Cb 0.70 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.24 3fa3 h ALA 229 CO 0.05 0.62 -0.45 -0.22 0.00 0.00 0.00 179.25 179.25 3fa3 h LYS 230 N 0.97 -1.20 -0.73 0.00 3.64 -1.05 -2.01 116.57 116.20 3fa3 h LYS 230 Ca 0.21 0.08 0.16 0.00 -1.27 0.00 0.00 60.65 59.83 3fa3 h LYS 230 Cb 0.31 0.27 -0.14 0.00 -0.41 0.00 0.00 32.23 32.27 3fa3 h LYS 230 CO -0.00 -0.80 -0.13 -1.91 -2.27 0.00 0.00 179.45 174.34 3fa3 n GLU 231 N -5.44 -0.06 0.19 1.90 2.13 -0.82 -0.11 120.64 118.42 3fa3 n GLU 231 Ca -0.15 1.13 0.14 0.00 0.66 0.00 0.00 57.16 58.93 3fa3 n GLU 231 Cb 0.49 -1.71 0.58 0.00 0.27 0.00 0.00 31.44 31.07 3fa3 n GLU 231 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 3fa3 h MET 232 N 0.00 0.00 0.00 5.31 2.86 -0.90 -3.46 114.93 118.73 3fa3 h MET 232 Ca 0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 3fa3 h MET 232 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 3fa3 h MET 232 CO -0.73 0.00 0.00 0.41 1.06 0.00 0.00 176.91 177.65 3fa3 n GLY 233 N -0.06 1.02 3.76 8.32 0.00 0.85 -4.94 105.19 114.14 3fa3 n GLY 233 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 2.46 -0.03 1.61 0.40 -0.79 -4.67 117.98 114.96 3fa3 s PHE 234 Ca 0.00 1.56 0.10 0.00 -0.60 0.00 0.00 56.93 57.99 3fa3 s PHE 234 Cb 0.00 -3.28 -0.15 0.00 0.51 0.00 0.00 43.02 40.10 3fa3 s PHE 234 CO 0.00 -1.95 0.18 0.54 0.70 0.00 0.00 175.22 174.70 3fa3 n ARG 235 N -2.33 0.71 -4.02 0.44 5.12 0.24 -4.58 116.66 112.24 3fa3 n ARG 235 Ca 0.11 -0.08 -0.12 0.00 -1.93 0.00 0.00 57.85 55.84 3fa3 n ARG 235 Cb 0.51 -1.24 -0.12 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 -2.61 0.31 -0.06 0.55 1.01 -1.17 -1.11 121.20 118.12 3fa3 s ILE 236 Ca -0.04 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.80 3fa3 s ILE 236 Cb 0.06 -0.39 0.01 0.00 0.01 0.00 0.00 42.46 42.15 3fa3 s ILE 236 CO 0.41 -0.35 -0.12 -0.51 0.00 0.00 0.00 174.94 174.38 3fa3 s ILE 237 N -1.17 1.08 0.27 2.92 2.07 -0.62 -0.99 121.20 124.76 3fa3 s ILE 237 Ca -0.10 -0.46 0.12 0.00 -1.41 0.00 0.00 60.65 58.79 3fa3 s ILE 237 Cb -0.08 -0.98 -0.05 0.00 0.13 0.00 0.00 42.46 41.48 3fa3 s ILE 237 CO -0.00 0.34 -0.18 0.27 -1.91 0.00 0.00 174.94 173.46 3fa3 s ILE 238 N 0.55 2.61 -0.47 2.00 -4.36 -0.95 -1.75 121.20 118.83 3fa3 s ILE 238 Ca -0.12 -2.29 0.05 0.00 -0.26 0.00 0.00 60.65 58.03 3fa3 s ILE 238 Cb -0.14 -2.36 0.19 0.00 1.25 0.00 0.00 42.46 41.40 3fa3 s ILE 238 CO 0.03 -0.36 0.43 0.49 0.24 0.00 0.00 174.94 175.77 3fa3 n PHE 239 N -0.55 0.13 -0.33 1.37 3.01 -1.09 -0.57 117.46 119.44 3fa3 n PHE 239 Ca -0.06 -3.57 0.22 0.00 1.01 0.00 0.00 57.45 55.04 3fa3 n PHE 239 Cb 0.59 -0.07 0.44 0.00 -0.01 0.00 0.00 39.48 40.44 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 5.12 0.29 -0.43 -1.08 0.11 -1.88 0.41 132.00 134.55 3fa3 h PRO 240 Ca 0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3fa3 h PRO 240 Cb 0.86 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3fa3 h PRO 240 CO 0.48 0.20 0.00 1.19 -0.21 0.00 0.00 178.00 179.65 3fa3 n PHE 241 N -5.09 0.56 -0.04 0.65 3.72 -1.26 -4.37 117.46 111.63 3fa3 n PHE 241 Ca 0.30 -0.28 0.23 0.00 -0.05 0.00 0.00 57.45 57.64 3fa3 n PHE 241 Cb 0.92 0.00 0.71 0.00 -0.94 0.00 0.00 39.48 40.17 3fa3 n PHE 241 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fa3 h ALA 242 N 4.31 2.56 0.00 4.37 0.00 -1.17 0.54 119.26 129.87 3fa3 h ALA 242 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 54.91 54.47 3fa3 h ALA 242 Cb 0.85 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 3fa3 h ALA 242 CO 0.00 -0.78 -2.46 0.00 0.00 0.00 0.00 179.25 176.01 3fa3 n ALA 243 N -2.63 1.36 0.07 0.00 0.00 -1.13 -4.56 120.51 113.62 3fa3 n ALA 243 Ca 0.12 -1.06 -0.12 0.00 0.00 0.00 0.00 53.44 52.38 3fa3 n ALA 243 Cb 0.71 0.06 -0.07 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.56 -0.12 0.00 0.00 6.46 -1.80 -0.74 115.31 118.54 3fa3 h LEU 244 Ca -0.63 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.15 3fa3 h LEU 244 Cb 1.70 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.67 3fa3 h LEU 244 CO -0.28 -0.08 0.00 0.61 -0.62 0.00 0.00 178.44 178.08 3fa3 n GLY 245 N -1.15 -3.07 0.28 3.75 0.00 0.17 -1.39 105.19 103.78 3fa3 n GLY 245 Ca -0.07 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.54 3fa3 n GLY 245 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fa3 h PRO 246 N 0.00 0.73 -0.61 1.61 0.11 -1.76 -2.52 132.00 129.55 3fa3 h PRO 246 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3fa3 h PRO 246 Cb 0.00 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 30.92 3fa3 h PRO 246 CO 0.00 0.48 0.38 0.00 -0.21 0.00 0.00 178.00 178.65 3fa3 h ALA 247 N 1.40 1.53 0.14 -0.75 0.00 -0.62 -1.52 119.26 119.43 3fa3 h ALA 247 Ca 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3fa3 h ALA 247 Cb 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3fa3 h ALA 247 CO -0.21 0.42 -0.07 0.28 0.00 0.00 0.00 179.25 179.68 3fa3 h VAL 248 N 0.83 0.99 -0.34 0.00 2.07 -0.79 -2.02 116.25 117.00 3fa3 h VAL 248 Ca 0.22 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 67.23 3fa3 h VAL 248 Cb -0.06 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 3fa3 h VAL 248 CO -0.04 0.13 -0.02 0.00 0.02 0.00 0.00 177.57 177.66 3fa3 h ALA 249 N 0.36 0.29 -0.53 1.67 0.00 -1.14 0.15 119.26 120.06 3fa3 h ALA 249 Ca -0.02 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3fa3 h ALA 249 Cb 0.36 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3fa3 h ALA 249 CO 0.03 -0.41 0.30 0.00 0.00 0.00 0.00 179.25 179.17 3fa3 h ALA 250 N 1.30 0.67 -0.49 0.00 0.00 -1.32 -0.72 119.26 118.71 3fa3 h ALA 250 Ca 0.16 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3fa3 h ALA 250 Cb 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3fa3 h ALA 250 CO -0.29 0.18 -0.08 0.52 0.00 0.00 0.00 179.25 179.58 3fa3 h MET 251 N 0.71 0.91 0.03 0.00 2.86 -0.66 -0.87 114.93 117.92 3fa3 h MET 251 Ca 0.19 -0.33 0.02 0.00 -2.06 0.00 0.00 59.70 57.51 3fa3 h MET 251 Cb 0.02 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3fa3 h MET 251 CO -0.03 0.99 -0.13 -0.09 1.06 0.00 0.00 176.91 178.70 3fa3 h ARG 252 N 0.77 -0.23 0.48 1.72 2.43 -0.50 -0.06 114.38 118.99 3fa3 h ARG 252 Ca 0.13 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3fa3 h ARG 252 Cb 0.63 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3fa3 h ARG 252 CO 0.04 -0.15 -0.28 0.93 -1.51 0.00 0.00 179.97 179.00 3fa3 h GLU 253 N -0.23 -0.69 -0.53 0.20 5.08 -0.89 -2.15 114.58 115.37 3fa3 h GLU 253 Ca 0.04 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3fa3 h GLU 253 Cb 0.28 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 3fa3 h GLU 253 CO -0.11 -0.46 0.26 0.00 -1.00 0.00 0.00 179.01 177.70 3fa3 h ALA 254 N -0.24 0.68 -0.93 3.43 0.00 -1.10 0.98 119.26 122.08 3fa3 h ALA 254 Ca -0.06 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3fa3 h ALA 254 Cb 0.58 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3fa3 h ALA 254 CO 0.07 -0.09 0.61 0.52 0.00 0.00 0.00 179.25 180.35 3fa3 h MET 255 N 0.50 1.18 -0.44 0.00 2.86 -0.98 0.16 114.93 118.21 3fa3 h MET 255 Ca 0.24 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.74 3fa3 h MET 255 Cb 0.16 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3fa3 h MET 255 CO -0.17 0.78 0.04 0.93 1.06 0.00 0.00 176.91 179.54 3fa3 h GLU 256 N 1.21 0.76 -0.97 1.72 5.08 -0.60 -0.28 114.58 121.50 3fa3 h GLU 256 Ca 0.36 -0.22 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3fa3 h GLU 256 Cb -0.06 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.05 3fa3 h GLU 256 CO -0.10 0.80 0.63 -0.22 -1.00 0.00 0.00 179.01 179.12 3fa3 h LYS 257 N 0.61 1.15 -0.45 2.33 3.64 -0.57 -1.57 116.57 121.71 3fa3 h LYS 257 Ca 0.13 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3fa3 h LYS 257 Cb 0.44 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3fa3 h LYS 257 CO 0.02 0.76 0.22 1.25 -2.27 0.00 0.00 179.45 179.42 3fa3 h LEU 258 N 1.18 0.59 -1.46 5.20 5.85 -0.47 -0.39 115.31 125.82 3fa3 h LEU 258 Ca 0.40 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 59.05 3fa3 h LEU 258 Cb 0.07 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3fa3 h LEU 258 CO -0.14 0.55 0.44 0.50 -0.34 0.00 0.00 178.44 179.45 3fa3 h LYS 259 N 0.59 0.64 -0.03 1.25 3.11 -0.57 -1.00 116.57 120.55 3fa3 h LYS 259 Ca 0.16 -0.04 -0.24 0.00 -2.81 0.00 0.00 60.65 57.71 3fa3 h LYS 259 Cb 0.12 -0.14 0.01 0.00 -1.00 0.00 0.00 32.23 31.22 3fa3 h LYS 259 CO -0.02 0.42 -0.95 0.00 -2.81 0.00 0.00 179.45 176.10 3fa3 h ARG 260 N 0.66 0.63 0.00 1.90 3.08 -0.80 -3.41 114.38 116.44 3fa3 h ARG 260 Ca 0.29 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 59.71 3fa3 h ARG 260 Cb 0.28 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3fa3 h ARG 260 CO -0.09 1.23 -0.65 -0.25 -1.07 0.00 0.00 179.97 179.14 3fa3 n ASP 261 N -3.84 1.24 -0.45 7.04 8.00 -0.20 -4.99 116.55 123.34 3fa3 n ASP 261 Ca -0.09 -0.47 -0.06 0.00 0.71 0.00 0.00 54.79 54.89 3fa3 n ASP 261 Cb 0.83 1.11 -0.03 0.00 -0.02 0.00 0.00 41.12 43.01 3fa3 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fa3 n GLY 262 N 1.45 0.62 3.31 0.44 0.00 -0.41 -4.94 105.19 105.66 3fa3 n GLY 262 Ca 0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.64 -0.02 0.31 -0.61 1.10 -1.26 -5.07 121.20 114.02 3fa3 s ILE 263 Ca 0.00 0.06 0.02 0.00 -0.51 0.00 0.00 60.65 60.21 3fa3 s ILE 263 Cb 0.00 -0.63 0.28 0.00 0.15 0.00 0.00 42.46 42.27 3fa3 s ILE 263 CO 0.00 0.02 1.92 -0.65 -2.11 0.00 0.00 174.94 174.12 3fa3 h PRO 264 N 6.54 0.95 -5.63 3.50 0.11 -1.92 -3.42 132.00 132.14 3fa3 h PRO 264 Ca -0.33 -0.06 -0.37 0.00 0.11 0.00 0.00 66.00 65.35 3fa3 h PRO 264 Cb 1.18 -0.21 0.14 0.00 0.11 0.00 0.00 31.00 32.22 3fa3 h PRO 264 CO 0.27 0.63 -0.67 0.41 -0.21 0.00 0.00 178.00 178.43 3fa3 n GLY 265 N -1.40 -0.46 3.77 -0.55 0.00 -1.26 -4.83 105.19 100.46 3fa3 n GLY 265 Ca 0.13 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 3fa3 n GLY 265 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fa3 n LEU 266 N -4.68 4.87 -4.64 0.99 4.77 -1.26 -4.91 117.00 112.13 3fa3 n LEU 266 Ca -0.04 1.19 -0.42 0.00 -0.03 0.00 0.00 56.01 56.71 3fa3 n LEU 266 Cb 0.58 -1.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 3fa3 n LEU 266 CO 0.62 0.04 0.71 -0.67 -1.33 0.00 0.00 177.39 176.75 3fa3 n ASP 267 N 0.24 1.84 -0.09 -1.43 -0.08 -1.26 -4.80 116.55 110.97 3fa3 n ASP 267 Ca 0.03 1.10 0.26 0.00 -1.51 0.00 0.00 54.79 54.67 3fa3 n ASP 267 Cb 0.40 -1.40 0.70 0.00 2.34 0.00 0.00 41.12 43.16 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 1.91 0.00 0.00 -0.67 1.63 -2.04 -1.98 116.57 115.41 3fa3 h LYS 268 Ca -0.45 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 3fa3 h LYS 268 Cb 1.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 3fa3 h LYS 268 CO 0.59 0.00 0.00 1.49 -3.45 0.00 0.00 179.45 178.08 3fa3 h GLU 269 N 0.00 0.00 -2.96 1.90 4.81 -2.03 -3.34 114.58 112.96 3fa3 h GLU 269 Ca 0.36 0.00 -0.79 0.00 -0.13 0.00 0.00 59.36 58.80 3fa3 h GLU 269 Cb 1.70 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.86 3fa3 h GLU 269 CO -0.00 0.00 1.32 -1.33 -0.73 0.00 0.00 179.01 178.27 3fa3 n MET 270 N -2.75 4.39 -1.24 1.92 0.00 -0.75 -4.72 117.12 113.98 3fa3 n MET 270 Ca 0.04 -4.18 -0.29 0.00 0.00 0.00 0.00 57.70 53.27 3fa3 n MET 270 Cb 0.44 -2.63 0.16 0.00 0.00 0.00 0.00 33.22 31.19 3fa3 n MET 270 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3fa3 s THR 271 N -1.97 2.30 0.12 2.03 -4.23 -1.26 -4.91 115.64 107.72 3fa3 s THR 271 Ca 0.37 0.10 -0.24 0.00 -1.18 0.00 0.00 61.69 60.73 3fa3 s THR 271 Cb 0.09 -2.63 -0.06 0.00 1.34 0.00 0.00 72.50 71.25 3fa3 s THR 271 CO 0.03 -0.13 1.67 -0.65 -0.54 0.00 0.00 174.62 175.00 3fa3 h PRO 272 N -1.71 -0.27 -0.92 3.99 0.11 -1.98 -2.40 132.00 128.83 3fa3 h PRO 272 Ca -0.52 0.02 0.25 0.00 0.11 0.00 0.00 66.00 65.85 3fa3 h PRO 272 Cb 1.31 0.06 -0.14 0.00 0.11 0.00 0.00 31.00 32.35 3fa3 h PRO 272 CO 0.57 -0.18 0.37 1.96 -0.21 0.00 0.00 178.00 180.52 3fa3 h GLN 273 N -0.28 0.31 0.36 1.05 7.50 -1.95 0.60 115.11 122.70 3fa3 h GLN 273 Ca 0.06 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.17 3fa3 h GLN 273 Cb 0.35 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.82 3fa3 h GLN 273 CO -0.17 0.20 -0.17 1.98 -1.50 0.00 0.00 178.83 179.17 3fa3 h MET 274 N 0.32 -0.46 -0.32 1.46 4.05 -1.76 0.36 114.93 118.58 3fa3 h MET 274 Ca 0.60 0.03 0.04 0.00 -0.28 0.00 0.00 59.70 60.09 3fa3 h MET 274 Cb 1.21 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 32.08 3fa3 h MET 274 CO -0.59 -0.25 0.08 -0.07 0.23 0.00 0.00 176.91 176.31 3fa3 h LEU 275 N -0.58 0.05 -1.26 3.39 -0.00 -0.84 -2.26 115.31 113.81 3fa3 h LEU 275 Ca -0.05 0.04 -0.07 0.00 -0.00 0.00 0.00 57.88 57.81 3fa3 h LEU 275 Cb 0.43 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 3fa3 h LEU 275 CO 0.08 0.07 -0.23 -0.26 -0.00 0.00 0.00 178.44 178.10 3fa3 h PHE 276 N 0.20 0.24 -0.28 1.13 0.05 0.44 -2.58 116.94 116.14 3fa3 h PHE 276 Ca 0.15 -0.04 -0.07 0.00 3.82 0.00 0.00 57.97 61.83 3fa3 h PHE 276 Cb 0.14 -0.06 -0.02 0.00 2.00 0.00 0.00 35.95 38.02 3fa3 h PHE 276 CO -0.16 0.44 -0.13 0.00 -0.18 0.00 0.00 178.31 178.28 3fa3 h ARG 277 N 0.20 0.47 -0.06 1.51 3.08 0.29 0.89 114.38 120.76 3fa3 h ARG 277 Ca 0.03 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 59.97 3fa3 h ARG 277 Cb 0.52 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 3fa3 h ARG 277 CO 0.04 0.60 0.10 0.28 -1.07 0.00 0.00 179.97 179.92 3fa3 h VAL 278 N 0.44 0.34 -0.96 2.04 2.07 -1.03 -2.97 116.25 116.17 3fa3 h VAL 278 Ca 0.08 0.00 -0.63 0.00 0.82 0.00 0.00 66.70 66.97 3fa3 h VAL 278 Cb 0.49 0.91 -0.34 0.00 -1.52 0.00 0.00 31.29 30.83 3fa3 h VAL 278 CO 0.03 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.86 3fa3 n GLY 280 N -0.82 1.16 0.19 0.00 0.00 -1.12 -4.93 105.19 99.67 3fa3 n GLY 280 Ca 0.55 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.53 -0.05 0.99 5.85 -1.61 0.18 115.31 121.20 3fa3 h LEU 281 Ca -0.21 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.51 3fa3 h LEU 281 Cb 0.68 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3fa3 h LEU 281 CO 0.31 0.40 -0.13 0.44 -0.34 0.00 0.00 178.44 179.12 3fa3 h ASP 282 N 0.61 -0.37 -0.71 1.25 3.32 -1.85 0.26 116.42 118.93 3fa3 h ASP 282 Ca 0.16 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.31 3fa3 h ASP 282 Cb -0.05 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 3fa3 h ASP 282 CO -0.03 -0.17 0.44 -0.08 -1.72 0.00 0.00 179.24 177.68 3fa3 h GLU 283 N -0.19 0.84 -0.46 3.56 4.57 -1.81 -0.54 114.58 120.55 3fa3 h GLU 283 Ca 0.06 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3fa3 h GLU 283 Cb 0.27 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 3fa3 h GLU 283 CO -0.16 0.55 0.18 0.77 -1.18 0.00 0.00 179.01 179.17 3fa3 h SER 284 N 0.86 0.63 -0.25 1.04 0.02 -0.12 -0.96 113.55 114.78 3fa3 h SER 284 Ca 0.29 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3fa3 h SER 284 Cb 0.03 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3fa3 h SER 284 CO -0.11 0.63 0.16 0.24 -1.14 0.00 0.00 176.83 176.62 3fa3 h MET 285 N 0.60 0.29 -0.26 3.45 2.86 -0.06 -1.22 114.93 120.58 3fa3 h MET 285 Ca 0.15 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.68 3fa3 h MET 285 Cb 0.20 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3fa3 h MET 285 CO -0.01 0.19 -0.25 -0.22 1.06 0.00 0.00 176.91 177.68 3fa3 h LYS 286 N 0.30 0.51 -0.86 1.72 3.64 0.24 -2.92 116.57 119.19 3fa3 h LYS 286 Ca 0.09 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3fa3 h LYS 286 Cb 0.02 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3fa3 h LYS 286 CO -0.02 0.72 0.50 0.28 -2.27 0.00 0.00 179.45 178.66 3fa3 h VAL 287 N 0.45 1.24 0.00 2.00 2.07 -0.60 -1.96 116.25 119.45 3fa3 h VAL 287 Ca 0.07 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3fa3 h VAL 287 Cb 0.68 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3fa3 h VAL 287 CO 0.05 0.26 0.00 -0.67 0.02 0.00 0.00 177.57 177.23 3fa3 n ASP 288 N -4.40 0.00 -0.15 0.57 2.03 -1.11 -2.31 116.55 111.18 3fa3 n ASP 288 Ca 0.09 0.76 0.08 0.00 0.52 0.00 0.00 54.79 56.24 3fa3 n ASP 288 Cb 0.07 -0.30 0.16 0.00 -0.72 0.00 0.00 41.12 40.34 3fa3 n ASP 288 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fa3 n ALA 289 N -1.39 0.28 -0.03 -1.67 0.00 -1.15 -0.16 120.51 116.39 3fa3 n ALA 289 Ca 0.00 0.46 -0.16 0.00 0.00 0.00 0.00 53.44 53.75 3fa3 n ALA 289 Cb 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 3fa3 n ALA 289 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3fa3 h GLN 290 N 0.00 0.52 0.00 0.00 4.20 -1.31 -3.00 115.11 115.53 3fa3 h GLN 290 Ca 0.29 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3fa3 h GLN 290 Cb 0.65 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3fa3 h GLN 290 CO -0.40 1.04 0.00 0.00 -0.67 0.00 0.00 178.83 178.81 3fa3 n ALA 291 N -2.54 1.88 0.00 3.87 0.00 -0.13 -4.81 120.51 118.78 3fa3 n ALA 291 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3fa3 n ALA 291 Cb 0.59 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3fa3 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 292 N 0.44 1.35 3.76 0.00 0.00 -0.84 -5.10 105.19 104.81 3fa3 n GLY 292 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3fa3 n GLY 292 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fa3 s GLY 293 N -2.00 2.91 -0.00 -0.02 0.00 0.78 -4.92 107.32 104.07 3fa3 s GLY 293 Ca 0.00 1.44 0.15 0.00 0.00 0.00 0.00 44.72 46.31 3fa3 s GLY 293 CO 0.00 2.03 0.61 0.00 0.00 0.00 0.00 173.10 175.74 3fa3 n ALA 294 N -0.50 3.83 0.15 3.20 0.00 -1.26 -4.07 120.51 121.85 3fa3 n ALA 294 Ca 0.07 -0.42 0.08 0.00 0.00 0.00 0.00 53.44 53.17 3fa3 n ALA 294 Cb 0.43 -0.55 0.44 0.00 0.00 0.00 0.00 19.45 19.77 3fa3 n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 n ALA 295 N -1.43 1.10 -1.42 0.00 0.00 -1.26 -1.60 120.51 115.90 3fa3 n ALA 295 Ca 0.02 0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.67 3fa3 n ALA 295 Cb 0.25 -1.25 0.13 0.00 0.00 0.00 0.00 19.45 18.59 3fa3 n ALA 295 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fa3 n PHE 296 N -2.06 0.00 -1.74 0.00 3.01 -1.26 -5.05 117.46 110.36 3fa3 n PHE 296 Ca -0.01 -0.95 -0.65 0.00 1.01 0.00 0.00 57.45 56.85 3fa3 n PHE 296 Cb 0.05 -0.16 -0.09 0.00 -0.01 0.00 0.00 39.48 39.26 3fa3 n PHE 296 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3fa3 n ASP 297 N -1.04 1.53 -3.62 4.37 9.92 -0.63 -2.84 116.55 124.25 3fa3 n ASP 297 Ca 0.14 1.16 -0.21 0.00 -0.53 0.00 0.00 54.79 55.35 3fa3 n ASP 297 Cb 0.69 -0.95 0.05 0.00 -0.64 0.00 0.00 41.12 40.26 3fa3 n ASP 297 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3fa3 n GLY 298 N 4.03 -0.45 0.00 0.44 0.00 -1.26 -4.87 105.19 103.08 3fa3 n GLY 298 Ca 0.30 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.49 0.53 0.48 -0.02 0.00 -1.13 -4.85 105.19 98.71 3fa3 n GLY 299 Ca -0.26 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 43.99 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 0.73 1.12 -3.57 1.61 0.24 -1.26 -4.97 118.33 112.23 3fa3 n VAL 300 Ca 0.00 -1.58 -0.23 0.00 -2.04 0.00 0.00 64.34 60.49 3fa3 n VAL 300 Cb 0.00 0.15 -0.01 0.00 -1.47 0.00 0.00 33.84 32.51 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 -2.25 6.31 0.00 -1.34 1.01 -1.26 -4.98 116.67 114.15 3fa3 s ASP 301 Ca 0.24 0.33 0.21 0.00 0.71 0.00 0.00 52.55 54.04 3fa3 s ASP 301 Cb 0.22 -1.98 0.16 0.00 1.01 0.00 0.00 42.92 42.34 3fa3 s ASP 301 CO -0.02 -0.22 1.16 0.18 0.21 0.00 0.00 175.17 176.48