#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 4.49 0.47 0.54 -1.94 -1.26 -5.00 119.30 116.60 3fa3 s MET 3 Ca 0.00 1.70 0.00 0.00 -1.71 0.00 0.00 55.69 55.68 3fa3 s MET 3 Cb 0.00 -3.35 0.00 0.00 2.01 0.00 0.00 34.83 33.49 3fa3 s MET 3 CO 0.00 -0.15 0.69 0.08 -0.01 0.00 0.00 175.02 175.63 3fa3 s VAL 4 N 0.77 3.79 -0.01 -6.03 1.01 -1.26 -5.11 120.40 113.57 3fa3 s VAL 4 Ca 0.56 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 3fa3 s VAL 4 Cb -0.28 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3fa3 s VAL 4 CO 0.30 -0.29 0.02 0.28 0.00 0.00 0.00 175.10 175.41 3fa3 s THR 5 N -2.59 0.00 0.49 3.92 -1.32 -1.26 -5.01 115.64 109.87 3fa3 s THR 5 Ca 0.50 -0.01 0.39 0.00 -1.21 0.00 0.00 61.69 61.35 3fa3 s THR 5 Cb -0.10 -0.04 0.41 0.00 -1.51 0.00 0.00 72.50 71.26 3fa3 s THR 5 CO 0.38 -0.01 2.23 0.00 -2.21 0.00 0.00 174.62 175.02 3fa3 h ALA 6 N 6.10 1.08 -0.98 11.08 0.00 -1.82 -1.57 119.26 133.15 3fa3 h ALA 6 Ca -0.24 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.71 3fa3 h ALA 6 Cb 1.21 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 3fa3 h ALA 6 CO 0.50 0.02 0.64 0.00 0.00 0.00 0.00 179.25 180.40 3fa3 h ALA 7 N 1.98 1.42 -0.24 0.00 0.00 -1.80 0.66 119.26 121.29 3fa3 h ALA 7 Ca -0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3fa3 h ALA 7 Cb 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3fa3 h ALA 7 CO 0.00 0.45 -0.08 1.15 0.00 0.00 0.00 179.25 180.77 3fa3 h THR 8 N 1.16 1.29 -0.77 0.00 2.02 -1.53 -0.58 112.91 114.50 3fa3 h THR 8 Ca 0.42 -1.10 0.05 0.00 0.77 0.00 0.00 66.41 66.54 3fa3 h THR 8 Cb 0.14 1.52 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 3fa3 h THR 8 CO -0.16 0.34 0.51 -1.28 0.37 0.00 0.00 175.52 175.30 3fa3 h SER 9 N 0.20 0.78 0.40 4.18 0.87 -1.38 -0.17 113.55 118.43 3fa3 h SER 9 Ca 0.06 -0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.30 3fa3 h SER 9 Cb 0.55 -0.17 0.02 0.00 -0.44 0.00 0.00 62.40 62.36 3fa3 h SER 9 CO 0.03 0.52 -1.44 0.25 -0.53 0.00 0.00 176.83 175.66 3fa3 h LEU 10 N 0.89 0.64 -1.31 2.23 5.85 -0.80 -2.22 115.31 120.59 3fa3 h LEU 10 Ca 0.32 -0.72 0.12 0.00 0.84 0.00 0.00 57.88 58.44 3fa3 h LEU 10 Cb 0.13 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3fa3 h LEU 10 CO -0.10 1.57 0.55 -0.09 -0.34 0.00 0.00 178.44 180.04 3fa3 h ARG 11 N 0.11 0.69 0.26 1.25 2.43 -0.76 -1.11 114.38 117.26 3fa3 h ARG 11 Ca -0.22 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 3fa3 h ARG 11 Cb 2.08 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 3fa3 h ARG 11 CO 0.23 0.46 -0.13 0.00 -1.51 0.00 0.00 179.97 179.02 3fa3 h ARG 12 N 0.71 -0.34 -0.11 0.20 3.08 -0.66 -3.12 114.38 114.15 3fa3 h ARG 12 Ca 0.41 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.51 3fa3 h ARG 12 Cb 0.59 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 3fa3 h ARG 12 CO -0.17 -0.11 -0.08 0.00 -1.07 0.00 0.00 179.97 178.53 3fa3 h ALA 13 N 0.16 0.00 -0.00 0.04 0.00 -0.86 -2.43 119.26 116.17 3fa3 h ALA 13 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fa3 h ALA 13 Cb 0.39 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3fa3 h ALA 13 CO 0.06 -0.54 0.02 -0.07 0.00 0.00 0.00 179.25 178.72 3fa3 h LEU 14 N -0.10 0.00 -0.37 0.00 3.38 -1.30 0.43 115.31 117.35 3fa3 h LEU 14 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3fa3 h LEU 14 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3fa3 h LEU 14 CO -0.17 0.00 -0.18 -0.33 0.09 0.00 0.00 178.44 177.86 3fa3 h GLU 15 N 0.00 0.00 -4.55 1.13 5.08 -1.37 -3.42 114.58 111.45 3fa3 h GLU 15 Ca 0.00 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.64 3fa3 h GLU 15 Cb 0.04 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.08 3fa3 h GLU 15 CO -0.00 0.18 -0.40 1.21 -1.00 0.00 0.00 179.01 178.99 3fa3 s ASN 16 N -6.21 6.12 0.63 1.42 2.47 0.14 -5.00 114.94 114.52 3fa3 s ASN 16 Ca 0.04 -0.86 0.26 0.00 0.42 0.00 0.00 52.86 52.72 3fa3 s ASN 16 Cb 0.07 -2.17 1.34 0.00 -1.45 0.00 0.00 41.25 39.05 3fa3 s ASN 16 CO 0.67 -0.46 1.76 -0.65 -3.72 0.00 0.00 177.10 174.70 3fa3 h PRO 17 N 8.64 0.00 -0.73 0.43 0.11 -1.82 -2.10 132.00 136.53 3fa3 h PRO 17 Ca -0.27 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.49 3fa3 h PRO 17 Cb 1.12 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.02 3fa3 h PRO 17 CO 0.74 0.00 0.34 -3.47 -0.21 0.00 0.00 178.00 175.39 3fa3 n ASP 18 N -3.15 3.52 -4.68 -2.05 -0.08 -1.26 -4.94 116.55 103.90 3fa3 n ASP 18 Ca 0.04 -3.58 -0.35 0.00 -1.51 0.00 0.00 54.79 49.38 3fa3 n ASP 18 Cb 0.63 -0.75 -0.09 0.00 2.34 0.00 0.00 41.12 43.25 3fa3 n ASP 18 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3fa3 s SER 19 N -1.68 6.00 -0.17 1.67 0.01 -0.79 -5.09 113.70 113.65 3fa3 s SER 19 Ca 0.52 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.94 3fa3 s SER 19 Cb 0.45 -2.05 0.04 0.00 0.21 0.00 0.00 66.02 64.66 3fa3 s SER 19 CO 0.08 0.15 -0.09 0.12 0.41 0.00 0.00 173.24 173.91 3fa3 s PHE 20 N 0.53 2.07 -0.30 2.43 5.36 -1.26 -4.89 117.98 121.92 3fa3 s PHE 20 Ca 0.06 -1.30 -0.17 0.00 -0.96 0.00 0.00 56.93 54.57 3fa3 s PHE 20 Cb -0.12 -1.50 -0.02 0.00 -0.34 0.00 0.00 43.02 41.04 3fa3 s PHE 20 CO -0.00 -0.67 0.45 0.42 -1.46 0.00 0.00 175.22 173.95 3fa3 s ILE 21 N 1.51 5.10 -0.32 3.12 1.09 -0.90 -5.03 121.20 125.77 3fa3 s ILE 21 Ca 0.01 0.52 -0.04 0.00 -1.10 0.00 0.00 60.65 60.04 3fa3 s ILE 21 Cb -0.15 -3.82 0.05 0.00 -1.06 0.00 0.00 42.46 37.48 3fa3 s ILE 21 CO -0.09 0.00 0.05 -0.69 -0.10 0.00 0.00 174.94 174.12 3fa3 s VAL 22 N 2.22 3.35 -0.26 2.92 1.01 -1.26 -1.62 120.40 126.76 3fa3 s VAL 22 Ca 0.17 -1.30 0.03 0.00 0.00 0.00 0.00 61.98 60.88 3fa3 s VAL 22 Cb -0.16 -2.93 0.06 0.00 0.00 0.00 0.00 36.38 33.36 3fa3 s VAL 22 CO 0.11 -0.16 -0.09 0.00 0.00 0.00 0.00 175.10 174.96 3fa3 s ALA 23 N 1.32 2.49 0.72 5.51 0.00 -0.53 -4.10 121.76 127.17 3fa3 s ALA 23 Ca -0.03 -1.75 -0.12 0.00 0.00 0.00 0.00 51.96 50.06 3fa3 s ALA 23 Cb -0.20 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.36 3fa3 s ALA 23 CO 0.01 -1.23 1.09 -2.14 0.00 0.00 0.00 175.76 173.48 3fa3 s PRO 24 N 1.14 2.57 0.00 0.00 0.02 -1.26 -2.39 135.00 135.09 3fa3 s PRO 24 Ca -0.07 1.17 -0.18 0.00 0.02 0.00 0.00 61.00 61.94 3fa3 s PRO 24 Cb -0.20 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.33 3fa3 s PRO 24 CO -0.05 -1.40 0.50 0.20 -0.33 0.00 0.00 177.00 175.91 3fa3 s GLY 25 N -3.28 2.54 0.17 0.52 0.00 0.57 -0.21 107.32 107.63 3fa3 s GLY 25 Ca 0.62 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 45.25 3fa3 s GLY 25 CO 0.52 0.44 0.03 -1.34 0.00 0.00 0.00 173.10 172.74 3fa3 s VAL 26 N -0.67 0.52 0.00 1.40 -7.23 0.17 -3.75 120.40 110.84 3fa3 s VAL 26 Ca 0.27 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 3fa3 s VAL 26 Cb -0.18 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.60 3fa3 s VAL 26 CO 0.15 -0.42 0.00 0.00 -0.31 0.00 0.00 175.10 174.52 3fa3 n TYR 27 N -0.23 0.00 -2.65 2.82 4.11 -1.26 -1.72 117.16 118.22 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 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.98 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 -0.01 9.48 5.75 -1.26 -4.30 116.55 126.21 3fa3 n ASP 28 Ca 0.00 -0.54 -0.12 0.00 -0.01 0.00 0.00 54.79 54.12 3fa3 n ASP 28 Cb 0.05 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.05 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 -0.09 -0.53 6.12 0.00 -1.99 -2.74 103.07 103.84 3fa3 h GLY 29 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.41 3fa3 h GLY 29 CO 0.00 -0.03 -0.39 1.41 0.00 0.00 0.00 176.54 177.53 3fa3 h LEU 30 N -0.83 -1.39 -0.86 3.11 3.38 -1.99 -1.63 115.31 115.11 3fa3 h LEU 30 Ca -0.01 0.20 0.15 0.00 0.09 0.00 0.00 57.88 58.32 3fa3 h LEU 30 Cb 0.63 0.60 -0.10 0.00 0.09 0.00 0.00 40.66 41.88 3fa3 h LEU 30 CO 0.01 -0.20 0.44 0.77 0.09 0.00 0.00 178.44 179.55 3fa3 h SER 31 N -0.09 0.51 -0.26 -0.43 4.64 -1.98 -0.11 113.55 115.83 3fa3 h SER 31 Ca 0.09 0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.42 3fa3 h SER 31 Cb 0.32 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3fa3 h SER 31 CO -0.55 0.20 -0.16 0.00 -0.87 0.00 0.00 176.83 175.45 3fa3 h ALA 32 N 1.57 0.37 -0.67 5.18 0.00 -1.31 -0.28 119.26 124.13 3fa3 h ALA 32 Ca 0.47 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3fa3 h ALA 32 Cb 0.70 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3fa3 h ALA 32 CO -0.38 0.27 0.38 0.00 0.00 0.00 0.00 179.25 179.52 3fa3 h ARG 33 N 0.29 0.92 -0.23 0.00 2.47 -0.56 -2.38 114.38 114.89 3fa3 h ARG 33 Ca 0.05 -0.10 -0.03 0.00 -1.26 0.00 0.00 59.98 58.65 3fa3 h ARG 33 Cb 0.69 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 3fa3 h ARG 33 CO 0.05 0.68 0.04 0.28 0.56 0.00 0.00 179.97 181.58 3fa3 h VAL 34 N 0.91 1.22 -0.82 2.04 2.07 -0.79 -1.00 116.25 119.88 3fa3 h VAL 34 Ca 0.24 -0.75 0.17 0.00 0.82 0.00 0.00 66.70 67.18 3fa3 h VAL 34 Cb 0.02 1.28 -0.11 0.00 -1.52 0.00 0.00 31.29 30.95 3fa3 h VAL 34 CO -0.04 0.24 0.35 0.00 0.02 0.00 0.00 177.57 178.13 3fa3 h ALA 35 N 0.85 1.23 0.00 1.67 0.00 -0.98 -1.59 119.26 120.43 3fa3 h ALA 35 Ca 0.07 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 3fa3 h ALA 35 Cb 0.32 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3fa3 h ALA 35 CO 0.00 -0.25 -0.77 -0.07 0.00 0.00 0.00 179.25 178.17 3fa3 h LEU 36 N 0.44 0.00 -0.04 0.00 3.38 -0.94 -2.86 115.31 115.29 3fa3 h LEU 36 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 3fa3 h LEU 36 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3fa3 h LEU 36 CO -0.46 0.77 0.00 -1.54 0.09 0.00 0.00 178.44 177.30 3fa3 n SER 37 N -3.53 0.32 -0.13 -0.43 3.41 -0.42 -1.78 113.62 111.06 3fa3 n SER 37 Ca -0.00 0.54 0.15 0.00 -0.26 0.00 0.00 58.87 59.29 3fa3 n SER 37 Cb 0.77 -0.62 0.72 0.00 -0.26 0.00 0.00 64.21 64.82 3fa3 n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fa3 n ALA 38 N -1.61 2.68 -1.14 7.33 0.00 -0.75 -4.96 120.51 122.06 3fa3 n ALA 38 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3fa3 n ALA 38 Cb 0.35 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.17 0.62 3.79 0.00 0.00 -0.73 -5.05 105.19 104.98 3fa3 n GLY 39 Ca 0.18 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 3fa3 n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa3 s PHE 40 N -2.00 2.86 -1.37 1.61 0.40 -1.23 -4.95 117.98 113.30 3fa3 s PHE 40 Ca 0.00 1.55 0.16 0.00 -0.60 0.00 0.00 56.93 58.05 3fa3 s PHE 40 Cb 0.00 -3.13 0.48 0.00 0.51 0.00 0.00 43.02 40.87 3fa3 s PHE 40 CO 0.00 -1.18 1.40 -0.25 0.70 0.00 0.00 175.22 175.89 3fa3 n ASP 41 N -1.37 3.48 -3.61 1.36 9.92 -1.26 -4.87 116.55 120.19 3fa3 n ASP 41 Ca 0.10 -2.04 -0.08 0.00 -0.53 0.00 0.00 54.79 52.24 3fa3 n ASP 41 Cb 0.52 -0.37 -0.06 0.00 -0.64 0.00 0.00 41.12 40.58 3fa3 n ASP 41 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fa3 s ALA 42 N -1.07 -2.01 0.13 2.24 0.00 -1.26 -4.26 121.76 115.53 3fa3 s ALA 42 Ca 0.36 1.72 0.07 0.00 0.00 0.00 0.00 51.96 54.12 3fa3 s ALA 42 Cb 0.19 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 3fa3 s ALA 42 CO 0.24 -0.25 -0.18 -0.51 0.00 0.00 0.00 175.76 175.06 3fa3 s LEU 43 N -0.64 2.37 -0.16 0.00 1.43 -0.50 -4.15 118.68 117.04 3fa3 s LEU 43 Ca 0.02 -0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 52.35 3fa3 s LEU 43 Cb -0.02 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 3fa3 s LEU 43 CO -0.04 -0.04 -0.13 -0.47 0.23 0.00 0.00 176.35 175.90 3fa3 s TYR 44 N -1.73 2.81 -0.70 0.29 5.04 0.70 -0.59 117.35 123.18 3fa3 s TYR 44 Ca 0.09 -0.95 -0.24 0.00 -2.44 0.00 0.00 57.07 53.53 3fa3 s TYR 44 Cb -0.07 -1.91 0.06 0.00 0.35 0.00 0.00 41.96 40.39 3fa3 s TYR 44 CO 0.05 -0.43 1.09 1.41 -1.34 0.00 0.00 175.55 176.33 3fa3 s MET 45 N 0.80 3.15 0.09 4.97 -2.45 0.05 0.42 119.30 126.32 3fa3 s MET 45 Ca -0.05 -0.62 -0.30 0.00 -1.25 0.00 0.00 55.69 53.47 3fa3 s MET 45 Cb -0.15 -4.23 -0.06 0.00 1.25 0.00 0.00 34.83 31.64 3fa3 s MET 45 CO 0.00 -1.95 1.19 -0.08 1.05 0.00 0.00 175.02 175.24 3fa3 s THR 46 N 4.70 3.94 -0.07 10.11 -1.32 -0.70 -2.01 115.64 130.28 3fa3 s THR 46 Ca 0.27 1.44 -0.23 0.00 -1.21 0.00 0.00 61.69 61.96 3fa3 s THR 46 Cb -0.13 -3.92 -0.19 0.00 -1.51 0.00 0.00 72.50 66.75 3fa3 s THR 46 CO 0.12 0.14 0.88 1.23 -2.21 0.00 0.00 174.62 174.78 3fa3 h GLY 47 N 6.45 -0.09 -0.70 6.08 0.00 -1.90 0.32 103.07 113.23 3fa3 h GLY 47 Ca -0.42 0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.02 3fa3 h GLY 47 CO 0.80 -0.03 -0.38 0.00 0.00 0.00 0.00 176.54 176.93 3fa3 n ALA 48 N -2.54 -0.36 -0.11 3.60 0.00 -1.26 -1.41 120.51 118.43 3fa3 n ALA 48 Ca -0.08 0.62 -0.12 0.00 0.00 0.00 0.00 53.44 53.86 3fa3 n ALA 48 Cb 0.31 -0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 3fa3 n ALA 48 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3fa3 h GLY 49 N 0.00 0.71 -0.34 0.00 0.00 -1.88 -2.55 103.07 99.01 3fa3 h GLY 49 Ca 0.14 -0.61 0.09 0.00 0.00 0.00 0.00 47.33 46.95 3fa3 h GLY 49 CO -0.66 0.56 -0.35 -0.84 0.00 0.00 0.00 176.54 175.24 3fa3 h THR 50 N 0.42 0.17 -0.75 4.70 2.02 0.33 -1.16 112.91 118.65 3fa3 h THR 50 Ca 0.08 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.42 3fa3 h THR 50 Cb 0.63 0.17 -0.11 0.00 -1.74 0.00 0.00 68.15 67.10 3fa3 h THR 50 CO 0.04 0.00 0.19 0.00 0.37 0.00 0.00 175.52 176.12 3fa3 h ALA 51 N 0.82 0.99 -0.11 6.16 0.00 -1.07 0.64 119.26 126.68 3fa3 h ALA 51 Ca 0.20 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3fa3 h ALA 51 Cb 0.55 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3fa3 h ALA 51 CO -0.62 -0.34 0.06 0.00 0.00 0.00 0.00 179.25 178.35 3fa3 h ALA 52 N 1.62 0.14 0.00 0.00 0.00 -0.90 -0.23 119.26 119.88 3fa3 h ALA 52 Ca 0.43 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 3fa3 h ALA 52 Cb 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3fa3 h ALA 52 CO -0.51 -0.39 -0.00 1.03 0.00 0.00 0.00 179.25 179.38 3fa3 h SER 53 N 0.13 -0.00 -0.21 0.00 0.87 -0.55 0.30 113.55 114.09 3fa3 h SER 53 Ca 0.04 -0.95 -0.04 0.00 -1.23 0.00 0.00 61.79 59.61 3fa3 h SER 53 Cb -0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3fa3 h SER 53 CO -0.03 0.96 -0.02 0.58 -0.53 0.00 0.00 176.83 177.79 3fa3 h VAL 54 N -0.97 1.27 0.00 2.23 2.07 0.18 -3.38 116.25 117.65 3fa3 h VAL 54 Ca -0.00 -0.94 -0.10 0.00 0.82 0.00 0.00 66.70 66.48 3fa3 h VAL 54 Cb 0.95 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 3fa3 h VAL 54 CO 0.00 0.29 -1.66 1.41 0.02 0.00 0.00 177.57 177.63 3fa3 n HIS 55 N -4.66 0.00 -1.54 1.57 8.25 -0.24 -5.01 115.22 113.60 3fa3 n HIS 55 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3fa3 n HIS 55 Cb 0.25 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 30.95 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 2.07 0.96 3.05 -1.41 0.00 0.09 -5.01 105.19 104.95 3fa3 n GLY 56 Ca -0.10 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.17 0.50 1.09 1.61 2.00 -0.95 -4.95 119.66 115.77 3fa3 s GLN 57 Ca 0.00 -0.93 -0.14 0.00 -2.00 0.00 0.00 55.36 52.29 3fa3 s GLN 57 Cb 0.00 0.18 0.23 0.00 0.80 0.00 0.00 33.01 34.22 3fa3 s GLN 57 CO 0.00 -0.09 1.07 0.00 -0.50 0.00 0.00 175.29 175.77 3fa3 s ALA 58 N -2.84 0.45 -1.14 1.58 0.00 -1.26 -2.84 121.76 115.70 3fa3 s ALA 58 Ca -0.03 -0.42 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 3fa3 s ALA 58 Cb 0.00 -3.11 0.25 0.00 0.00 0.00 0.00 23.12 20.27 3fa3 s ALA 58 CO -0.06 -3.27 1.24 -3.47 0.00 0.00 0.00 175.76 170.21 3fa3 n ASP 59 N -4.50 5.51 -3.14 0.00 4.64 -1.26 -4.73 116.55 113.07 3fa3 n ASP 59 Ca 0.05 -3.05 -0.21 0.00 -1.38 0.00 0.00 54.79 50.20 3fa3 n ASP 59 Cb 0.57 -1.42 -0.05 0.00 -1.04 0.00 0.00 41.12 39.18 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 3.32 -0.04 -4.15 -2.67 4.77 -1.26 -0.63 117.00 116.34 3fa3 n LEU 60 Ca 0.28 -4.60 -0.35 0.00 -0.03 0.00 0.00 56.01 51.30 3fa3 n LEU 60 Cb 0.39 0.68 -0.05 0.00 -2.33 0.00 0.00 43.42 42.12 3fa3 n LEU 60 CO 0.54 2.10 -0.08 0.61 -1.33 0.00 0.00 177.39 179.23 3fa3 n GLY 61 N 1.21 -0.44 0.01 -0.72 0.00 0.14 -4.82 105.19 100.58 3fa3 n GLY 61 Ca 0.20 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.42 3fa3 n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa3 n ILE 62 N -4.06 0.07 -2.91 -0.61 5.41 -1.26 -4.84 119.36 111.16 3fa3 n ILE 62 Ca 0.08 -0.20 -0.41 0.00 1.00 0.00 0.00 62.75 63.22 3fa3 n ILE 62 Cb 0.48 0.45 -0.04 0.00 -0.71 0.00 0.00 39.64 39.81 3fa3 n ILE 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3fa3 s THR 64 N 2.10 4.57 0.12 0.00 -4.23 -1.26 -4.87 115.64 112.07 3fa3 s THR 64 Ca 0.38 1.15 -0.06 0.00 -1.18 0.00 0.00 61.69 61.97 3fa3 s THR 64 Cb -0.17 -3.62 0.17 0.00 1.34 0.00 0.00 72.50 70.22 3fa3 s THR 64 CO 0.12 -0.22 0.74 -0.11 -0.54 0.00 0.00 174.62 174.62 3fa3 n LEU 65 N -0.42 -0.24 0.12 4.79 7.94 -1.26 -0.12 117.00 127.81 3fa3 n LEU 65 Ca 0.05 0.83 -0.13 0.00 -1.11 0.00 0.00 56.01 55.64 3fa3 n LEU 65 Cb 0.53 -0.22 -0.06 0.00 0.53 0.00 0.00 43.42 44.21 3fa3 n LEU 65 CO 0.40 -0.77 0.69 0.78 -1.11 0.00 0.00 177.39 177.38 3fa3 h ASN 66 N 0.00 -0.74 -0.32 1.96 4.21 -1.98 0.34 115.58 119.04 3fa3 h ASN 66 Ca 0.20 0.09 0.06 0.00 1.21 0.00 0.00 56.30 57.86 3fa3 h ASN 66 Cb 0.32 0.28 -0.06 0.00 -1.12 0.00 0.00 38.32 37.74 3fa3 h ASN 66 CO -0.48 -0.35 -0.08 0.44 -1.29 0.00 0.00 177.43 175.67 3fa3 h ASP 67 N -0.48 -0.29 0.05 5.81 3.32 -0.90 0.34 116.42 124.27 3fa3 h ASP 67 Ca 0.03 0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 3fa3 h ASP 67 Cb 0.50 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3fa3 h ASP 67 CO -0.15 -0.10 -0.24 0.24 -1.72 0.00 0.00 179.24 177.27 3fa3 h MET 68 N 0.01 0.33 0.09 3.56 2.86 -0.54 -3.16 114.93 118.08 3fa3 h MET 68 Ca 0.16 -0.11 -0.15 0.00 -2.06 0.00 0.00 59.70 57.53 3fa3 h MET 68 Cb 0.23 -0.03 0.02 0.00 0.06 0.00 0.00 31.60 31.89 3fa3 h MET 68 CO -0.33 0.55 -0.65 -0.09 1.06 0.00 0.00 176.91 177.45 3fa3 h ARG 69 N 0.30 0.27 -0.52 1.72 1.12 0.61 -1.75 114.38 116.13 3fa3 h ARG 69 Ca 0.05 -0.42 0.08 0.00 -1.11 0.00 0.00 59.98 58.57 3fa3 h ARG 69 Cb 0.59 0.15 -0.10 0.00 -0.01 0.00 0.00 29.97 30.60 3fa3 h ARG 69 CO 0.04 1.17 -0.47 0.00 -3.11 0.00 0.00 179.97 177.61 3fa3 h ALA 70 N 0.12 -0.47 -0.31 2.80 0.00 -1.02 0.32 119.26 120.70 3fa3 h ALA 70 Ca -0.11 0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3fa3 h ALA 70 Cb 1.48 1.01 -0.07 0.00 0.00 0.00 0.00 17.79 20.21 3fa3 h ALA 70 CO 0.12 -0.90 -0.15 -0.97 0.00 0.00 0.00 179.25 177.36 3fa3 h ASN 71 N -0.28 -0.49 -0.76 0.00 -1.24 -1.65 -2.22 115.58 108.94 3fa3 h ASN 71 Ca 0.15 0.12 -0.05 0.00 0.71 0.00 0.00 56.30 57.22 3fa3 h ASN 71 Cb 0.57 0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.86 3fa3 h ASN 71 CO -0.66 -0.18 0.28 0.00 -1.29 0.00 0.00 177.43 175.58 3fa3 h ALA 72 N 1.15 1.05 -0.44 1.57 0.00 -0.36 0.20 119.26 122.43 3fa3 h ALA 72 Ca 0.16 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3fa3 h ALA 72 Cb 0.34 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3fa3 h ALA 72 CO -0.38 0.66 -0.09 1.49 0.00 0.00 0.00 179.25 180.93 3fa3 h GLU 73 N 1.12 0.78 -0.12 0.00 4.81 -0.92 -1.38 114.58 118.87 3fa3 h GLU 73 Ca 0.25 -0.25 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 3fa3 h GLU 73 Cb 0.25 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.57 3fa3 h GLU 73 CO -0.02 0.85 -0.66 0.00 -0.73 0.00 0.00 179.01 178.45 3fa3 h MET 74 N 0.71 0.67 -0.15 1.92 -0.00 -0.58 -2.38 114.93 115.12 3fa3 h MET 74 Ca 0.12 -0.55 -0.09 0.00 -0.00 0.00 0.00 59.70 59.18 3fa3 h MET 74 Cb 0.57 0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 32.27 3fa3 h MET 74 CO 0.04 1.17 -0.30 0.82 -0.00 0.00 0.00 176.91 178.63 3fa3 h ILE 75 N 0.34 1.27 0.00 -0.10 2.04 -1.05 -2.42 117.51 117.58 3fa3 h ILE 75 Ca -0.05 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.54 3fa3 h ILE 75 Cb 1.30 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 3fa3 h ILE 75 CO 0.14 0.39 0.00 -1.20 0.00 0.00 0.00 178.15 177.48 3fa3 n SER 76 N -4.11 0.58 -0.00 1.72 7.64 -0.52 -3.72 113.62 115.21 3fa3 n SER 76 Ca -0.01 0.61 0.01 0.00 1.01 0.00 0.00 58.87 60.50 3fa3 n SER 76 Cb 0.41 -0.75 -0.02 0.00 -1.01 0.00 0.00 64.21 62.84 3fa3 n SER 76 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3fa3 n ASN 77 N -2.11 2.84 -0.37 6.43 3.02 -0.97 -4.07 115.26 120.02 3fa3 n ASN 77 Ca 0.03 -0.20 -0.04 0.00 -0.03 0.00 0.00 54.58 54.34 3fa3 n ASN 77 Cb 0.28 1.08 -0.00 0.00 -0.61 0.00 0.00 39.78 40.53 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 0.00 0.02 -3.16 2.41 2.04 -1.53 -3.27 117.51 114.02 3fa3 h ILE 78 Ca 0.00 0.00 -0.63 0.00 1.00 0.00 0.00 64.86 65.23 3fa3 h ILE 78 Cb 0.11 0.02 -0.41 0.00 -0.74 0.00 0.00 36.82 35.79 3fa3 h ILE 78 CO 0.00 0.00 -0.64 -0.55 0.00 0.00 0.00 178.15 176.96 3fa3 s SER 79 N -5.36 4.30 0.63 1.72 0.15 -1.26 -5.00 113.70 108.88 3fa3 s SER 79 Ca -0.13 -3.33 0.32 0.00 0.70 0.00 0.00 55.95 53.51 3fa3 s SER 79 Cb 0.17 -1.50 1.76 0.00 -1.71 0.00 0.00 66.02 64.74 3fa3 s SER 79 CO 0.69 -0.17 2.06 -0.65 1.20 0.00 0.00 173.24 176.36 3fa3 h PRO 80 N 6.02 0.00 0.00 5.44 0.11 -1.70 -0.89 132.00 140.98 3fa3 h PRO 80 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3fa3 h PRO 80 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3fa3 h PRO 80 CO 0.66 0.00 -0.79 -1.13 -0.21 0.00 0.00 178.00 176.53 3fa3 n SER 81 N -3.35 0.66 -4.66 -2.05 3.41 -1.26 -4.26 113.62 102.11 3fa3 n SER 81 Ca 0.00 -0.01 -0.41 0.00 -0.26 0.00 0.00 58.87 58.19 3fa3 n SER 81 Cb 0.35 0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 64.67 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 -3.18 4.89 0.30 6.66 2.01 -0.34 -4.85 115.64 121.13 3fa3 s THR 82 Ca 0.05 1.50 -0.29 0.00 0.31 0.00 0.00 61.69 63.26 3fa3 s THR 82 Cb 0.14 -4.09 -0.13 0.00 0.01 0.00 0.00 72.50 68.43 3fa3 s THR 82 CO 0.75 0.00 1.31 -2.65 -0.69 0.00 0.00 174.62 173.35 3fa3 n PRO 83 N 5.53 2.05 -4.09 4.92 -0.02 -1.26 -4.80 135.00 137.33 3fa3 n PRO 83 Ca 0.04 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.92 3fa3 n PRO 83 Cb 0.48 -2.32 -0.16 0.00 -0.02 0.00 0.00 33.50 31.49 3fa3 n PRO 83 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fa3 s VAL 84 N -0.72 1.91 -0.41 -1.45 1.01 -1.26 -1.41 120.40 118.07 3fa3 s VAL 84 Ca 0.60 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 3fa3 s VAL 84 Cb -0.60 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.04 3fa3 s VAL 84 CO 0.58 0.49 0.32 -0.63 0.00 0.00 0.00 175.10 175.86 3fa3 s ILE 85 N 1.35 5.23 -0.13 2.22 1.01 0.25 -1.21 121.20 129.92 3fa3 s ILE 85 Ca 0.05 -0.58 -0.00 0.00 0.00 0.00 0.00 60.65 60.11 3fa3 s ILE 85 Cb -0.13 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 3fa3 s ILE 85 CO -0.12 -0.31 -0.13 0.00 0.00 0.00 0.00 174.94 174.38 3fa3 s ALA 86 N 1.76 2.64 0.23 9.38 0.00 0.33 -0.77 121.76 135.33 3fa3 s ALA 86 Ca 0.06 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 3fa3 s ALA 86 Cb -0.19 -1.22 -0.09 0.00 0.00 0.00 0.00 23.12 21.62 3fa3 s ALA 86 CO 0.11 0.26 1.30 0.34 0.00 0.00 0.00 175.76 177.77 3fa3 s ASP 87 N 0.31 6.88 0.00 0.00 2.15 -0.85 -3.25 116.67 121.90 3fa3 s ASP 87 Ca -0.10 2.46 0.00 0.00 0.43 0.00 0.00 52.55 55.34 3fa3 s ASP 87 Cb -0.16 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.84 3fa3 s ASP 87 CO 0.05 -0.51 0.55 0.00 -0.17 0.00 0.00 175.17 175.09 3fa3 n ALA 88 N 2.19 2.22 -0.92 3.66 0.00 -0.95 -4.85 120.51 121.86 3fa3 n ALA 88 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3fa3 n ALA 88 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.08 0.00 -1.07 0.00 10.43 -1.20 -2.23 116.55 122.40 3fa3 n ASP 89 Ca 0.00 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.47 3fa3 n ASP 89 Cb 0.07 0.00 0.26 0.00 1.84 0.00 0.00 41.12 43.29 3fa3 n ASP 89 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 3fa3 n THR 90 N 0.00 0.57 -0.27 -3.53 -2.24 -1.26 -1.04 114.28 106.51 3fa3 n THR 90 Ca 0.00 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 3fa3 n THR 90 Cb 0.00 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 1.45 0.65 2.83 3.38 0.00 -0.94 -4.56 105.19 108.00 3fa3 n GLY 91 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.02 0.00 0.00 1.61 4.02 -1.26 -3.34 117.16 116.17 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 -1.32 0.00 0.00 -0.02 0.00 0.00 39.34 38.00 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 -0.51 -0.76 0.00 2.72 0.00 -1.26 -4.92 105.19 100.46 3fa3 n GLY 93 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 1.26 0.34 -0.02 0.00 -1.26 -4.74 105.19 100.76 3fa3 n GLY 94 Ca 0.00 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 0.23 -0.06 1.61 0.11 -1.95 1.00 132.00 132.94 3fa3 h PRO 95 Ca 0.00 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.11 3fa3 h PRO 95 Cb 0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 3fa3 h PRO 95 CO 0.00 0.15 0.04 0.82 -0.21 0.00 0.00 178.00 178.80 3fa3 h ILE 96 N 0.23 0.89 0.08 4.15 2.04 -1.98 -2.01 117.51 120.91 3fa3 h ILE 96 Ca 0.21 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.71 3fa3 h ILE 96 Cb 0.53 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3fa3 h ILE 96 CO -0.04 0.00 -2.05 0.23 0.00 0.00 0.00 178.15 176.29 3fa3 n MET 97 N -4.40 0.72 -0.23 2.37 2.81 0.33 -2.53 117.12 116.20 3fa3 n MET 97 Ca -0.02 0.24 0.12 0.00 -1.81 0.00 0.00 57.70 56.23 3fa3 n MET 97 Cb 0.15 -1.68 0.41 0.00 -0.71 0.00 0.00 33.22 31.38 3fa3 n MET 97 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3fa3 h VAL 98 N 0.04 0.86 0.49 2.03 2.07 -0.83 0.54 116.25 121.45 3fa3 h VAL 98 Ca -0.43 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3fa3 h VAL 98 Cb 2.02 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3fa3 h VAL 98 CO 0.05 0.12 -0.23 0.00 0.02 0.00 0.00 177.57 177.53 3fa3 h ALA 99 N 1.61 -0.66 -0.63 1.67 0.00 -1.45 0.18 119.26 119.99 3fa3 h ALA 99 Ca 0.40 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.25 3fa3 h ALA 99 Cb 0.67 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 3fa3 h ALA 99 CO -0.16 -0.74 -0.11 0.00 0.00 0.00 0.00 179.25 178.24 3fa3 h ARG 100 N -0.91 0.03 0.01 0.00 2.47 -1.12 0.50 114.38 115.35 3fa3 h ARG 100 Ca -0.07 -0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.67 3fa3 h ARG 100 Cb 0.59 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.89 3fa3 h ARG 100 CO 0.11 0.02 -0.10 1.15 0.56 0.00 0.00 179.97 181.71 3fa3 h THR 101 N 0.03 0.74 -0.48 2.04 2.02 -0.85 -0.83 112.91 115.58 3fa3 h THR 101 Ca 0.31 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.46 3fa3 h THR 101 Cb 0.49 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3fa3 h THR 101 CO -0.62 0.00 0.15 0.74 0.37 0.00 0.00 175.52 176.16 3fa3 h THR 102 N -0.18 1.20 -0.33 3.16 2.02 0.16 -1.39 112.91 117.55 3fa3 h THR 102 Ca 0.04 -0.67 -0.10 0.00 0.77 0.00 0.00 66.41 66.44 3fa3 h THR 102 Cb 0.22 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3fa3 h THR 102 CO -0.10 0.25 -0.17 -0.33 0.37 0.00 0.00 175.52 175.54 3fa3 h GLU 103 N 0.70 0.70 -0.13 6.66 5.08 0.30 -2.42 114.58 125.46 3fa3 h GLU 103 Ca 0.16 -0.31 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 3fa3 h GLU 103 Cb 0.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3fa3 h GLU 103 CO -0.01 0.91 -0.30 1.96 -1.00 0.00 0.00 179.01 180.57 3fa3 h GLN 104 N 0.47 0.43 -0.46 2.33 4.20 -0.53 -1.10 115.11 120.46 3fa3 h GLN 104 Ca 0.07 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.46 3fa3 h GLN 104 Cb 0.71 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 3fa3 h GLN 104 CO 0.05 0.90 0.15 1.88 -0.67 0.00 0.00 178.83 181.15 3fa3 h TYR 105 N 0.03 0.67 0.23 2.96 -1.99 -1.34 0.54 116.97 118.07 3fa3 h TYR 105 Ca -0.00 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 3fa3 h TYR 105 Cb 0.91 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 39.44 3fa3 h TYR 105 CO 0.11 0.55 -0.11 0.77 -0.00 0.00 0.00 178.16 179.47 3fa3 h SER 106 N 0.65 -0.26 -0.71 3.88 0.02 -1.13 -0.34 113.55 115.66 3fa3 h SER 106 Ca 0.16 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3fa3 h SER 106 Cb 0.18 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 3fa3 h SER 106 CO -0.01 -0.13 0.46 0.03 -1.14 0.00 0.00 176.83 176.03 3fa3 h ARG 107 N -0.37 0.96 0.00 3.45 3.08 0.19 0.44 114.38 122.13 3fa3 h ARG 107 Ca -0.03 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3fa3 h ARG 107 Cb 0.28 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3fa3 h ARG 107 CO 0.05 0.65 -0.16 0.77 -1.07 0.00 0.00 179.97 180.21 3fa3 h SER 108 N 0.98 0.00 0.00 7.04 0.02 0.09 -3.46 113.55 118.22 3fa3 h SER 108 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3fa3 h SER 108 Cb -0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3fa3 h SER 108 CO -0.05 0.16 0.00 0.61 -1.14 0.00 0.00 176.83 176.41 3fa3 n GLY 109 N -0.33 1.05 3.77 -3.77 0.00 0.15 -4.70 105.19 101.37 3fa3 n GLY 109 Ca -0.01 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 3fa3 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa3 s VAL 110 N -2.00 2.47 0.01 1.61 1.01 -0.23 -4.63 120.40 118.64 3fa3 s VAL 110 Ca 0.00 0.45 -0.17 0.00 0.00 0.00 0.00 61.98 62.26 3fa3 s VAL 110 Cb 0.00 -3.28 -0.35 0.00 0.00 0.00 0.00 36.38 32.75 3fa3 s VAL 110 CO 0.00 0.09 0.97 0.00 0.00 0.00 0.00 175.10 176.16 3fa3 h ALA 111 N 2.94 -0.15 -2.57 5.51 0.00 -1.47 -3.41 119.26 120.11 3fa3 h ALA 111 Ca -0.50 -0.84 -0.08 0.00 0.00 0.00 0.00 54.91 53.50 3fa3 h ALA 111 Cb 1.24 0.17 -0.16 0.00 0.00 0.00 0.00 17.79 19.04 3fa3 h ALA 111 CO 0.64 0.64 -0.16 0.00 0.00 0.00 0.00 179.25 180.37 3fa3 s ALA 112 N -2.57 -0.86 0.06 0.00 0.00 -0.91 -1.70 121.76 115.79 3fa3 s ALA 112 Ca -0.10 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.93 3fa3 s ALA 112 Cb 0.03 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 3fa3 s ALA 112 CO 0.92 -0.47 0.08 -0.59 0.00 0.00 0.00 175.76 175.70 3fa3 s PHE 113 N -2.76 0.29 -0.03 0.00 -0.12 -0.75 -0.51 117.98 114.10 3fa3 s PHE 113 Ca -0.03 -0.72 0.05 0.00 -0.05 0.00 0.00 56.93 56.18 3fa3 s PHE 113 Cb -0.00 -0.20 -0.03 0.00 -0.63 0.00 0.00 43.02 42.16 3fa3 s PHE 113 CO -0.05 -0.43 -0.17 -3.38 -0.05 0.00 0.00 175.22 171.14 3fa3 s HIS 114 N -3.45 2.60 -0.12 3.49 -3.43 -1.20 -1.67 115.29 111.50 3fa3 s HIS 114 Ca 0.02 -0.23 0.03 0.00 -0.80 0.00 0.00 55.06 54.08 3fa3 s HIS 114 Cb 0.04 -1.58 0.01 0.00 -1.43 0.00 0.00 32.58 29.62 3fa3 s HIS 114 CO -0.09 0.14 -0.23 0.42 -2.00 0.00 0.00 174.74 172.99 3fa3 s ILE 115 N -0.73 2.04 0.41 -5.38 1.01 -0.60 -2.23 121.20 115.73 3fa3 s ILE 115 Ca 0.12 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 59.84 3fa3 s ILE 115 Cb -0.10 -1.79 0.06 0.00 0.01 0.00 0.00 42.46 40.63 3fa3 s ILE 115 CO 0.01 0.55 0.47 -1.84 0.00 0.00 0.00 174.94 174.13 3fa3 n GLU 116 N 3.83 0.79 -0.11 2.79 0.28 -0.21 -0.90 120.64 127.11 3fa3 n GLU 116 Ca -0.20 -2.37 0.07 0.00 -0.16 0.00 0.00 57.16 54.50 3fa3 n GLU 116 Cb 0.52 0.01 0.12 0.00 1.43 0.00 0.00 31.44 33.52 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 -2.25 2.52 -4.58 -1.84 5.75 -1.26 -4.63 116.55 110.25 3fa3 n ASP 117 Ca 0.06 -2.73 -0.29 0.00 -0.01 0.00 0.00 54.79 51.82 3fa3 n ASP 117 Cb 0.44 -0.32 0.21 0.00 -1.03 0.00 0.00 41.12 40.42 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 -2.26 0.02 1.03 0.11 -0.21 -1.26 -1.27 119.66 115.81 3fa3 s GLN 118 Ca 0.25 1.08 -0.11 0.00 0.02 0.00 0.00 55.36 56.59 3fa3 s GLN 118 Cb 0.21 -1.65 0.21 0.00 1.00 0.00 0.00 33.01 32.78 3fa3 s GLN 118 CO 0.04 -3.16 1.09 0.14 -2.12 0.00 0.00 175.29 171.27 3fa3 s VAL 119 N -2.59 2.07 0.47 1.09 -7.23 -0.60 -4.54 120.40 109.07 3fa3 s VAL 119 Ca 0.67 0.02 0.13 0.00 -1.81 0.00 0.00 61.98 61.00 3fa3 s VAL 119 Cb -0.23 -2.07 0.28 0.00 0.56 0.00 0.00 36.38 34.92 3fa3 s VAL 119 CO 0.61 -0.03 2.09 -0.61 -0.31 0.00 0.00 175.10 176.86 3fa3 h GLN 120 N -2.23 0.22 -3.45 4.82 4.15 -1.95 -3.05 115.11 113.63 3fa3 h GLN 120 Ca -0.52 -0.01 -0.71 0.00 0.77 0.00 0.00 58.65 58.18 3fa3 h GLN 120 Cb 1.30 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.90 3fa3 h GLN 120 CO 0.46 0.15 3.18 0.25 -1.93 0.00 0.00 178.83 180.94 3fa3 n THR 121 N -4.50 4.05 -1.21 2.39 -2.24 -1.26 -4.80 114.28 106.70 3fa3 n THR 121 Ca 0.01 -3.17 -0.30 0.00 -2.27 0.00 0.00 64.05 58.32 3fa3 n THR 121 Cb 0.14 -2.53 0.13 0.00 -2.10 0.00 0.00 70.33 65.98 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 2.05 1.35 0.14 -0.78 0.00 -1.16 -4.69 119.74 116.65 3fa3 s LYS 122 Ca 0.55 0.85 0.07 0.00 0.00 0.00 0.00 55.97 57.43 3fa3 s LYS 122 Cb 0.15 -1.82 -0.04 0.00 0.00 0.00 0.00 37.83 36.13 3fa3 s LYS 122 CO -0.07 -2.19 -0.15 -0.98 0.00 0.00 0.00 175.35 171.97 3fa3 s ARG 123 N -4.93 1.10 -0.09 1.78 1.70 -1.26 0.25 118.95 117.49 3fa3 s ARG 123 Ca 0.63 -1.31 -0.40 0.00 -0.47 0.00 0.00 55.73 54.18 3fa3 s ARG 123 Cb -0.18 -1.00 -0.18 0.00 -0.57 0.00 0.00 34.95 33.01 3fa3 s ARG 123 CO 0.57 0.19 1.32 0.00 -1.08 0.00 0.00 175.30 176.30 3fa3 h GLY 125 N 4.33 0.00 0.37 0.00 0.00 -1.99 -1.34 103.07 104.44 3fa3 h GLY 125 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3fa3 h GLY 125 CO 0.78 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.74 3fa3 n HIS 126 N -2.35 0.03 -3.15 5.60 8.25 -1.26 -4.81 115.22 117.53 3fa3 n HIS 126 Ca 0.01 -0.01 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 3fa3 n HIS 126 Cb 0.19 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.34 3fa3 n HIS 126 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3fa3 n LEU 127 N -0.63 0.00 -4.53 2.41 4.77 -0.51 -4.77 117.00 113.75 3fa3 n LEU 127 Ca 0.14 -1.84 -0.31 0.00 -0.03 0.00 0.00 56.01 53.96 3fa3 n LEU 127 Cb 0.10 -0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 40.81 3fa3 n LEU 127 CO 0.10 -0.63 -0.44 0.00 -1.33 0.00 0.00 177.39 175.09 3fa3 s ALA 128 N -2.51 2.80 0.00 -1.18 0.00 -1.26 -4.53 121.76 115.08 3fa3 s ALA 128 Ca 0.40 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3fa3 s ALA 128 Cb -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.18 3fa3 s ALA 128 CO 0.26 0.60 0.00 0.41 0.00 0.00 0.00 175.76 177.02 3fa3 n GLY 129 N 1.42 0.87 3.75 0.00 0.00 -1.26 -5.02 105.19 104.96 3fa3 n GLY 129 Ca -0.15 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.48 4.43 -0.07 1.61 1.02 -1.26 -5.04 119.74 116.95 3fa3 s LYS 130 Ca 0.00 2.05 0.04 0.00 0.02 0.00 0.00 55.97 58.08 3fa3 s LYS 130 Cb 0.00 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 3fa3 s LYS 130 CO 0.00 -0.14 -0.19 0.42 -0.92 0.00 0.00 175.35 174.52 3fa3 s ILE 131 N -0.53 1.67 0.36 2.17 -1.09 -1.26 -4.93 121.20 117.59 3fa3 s ILE 131 Ca 0.52 -0.82 0.02 0.00 -2.23 0.00 0.00 60.65 58.14 3fa3 s ILE 131 Cb -0.36 -1.45 0.02 0.00 -1.58 0.00 0.00 42.46 39.08 3fa3 s ILE 131 CO 0.43 0.47 0.17 0.18 -1.23 0.00 0.00 174.94 174.97 3fa3 n LEU 132 N 3.44 0.00 -4.28 2.97 4.77 -1.26 -1.56 117.00 121.07 3fa3 n LEU 132 Ca -0.20 -2.04 -0.20 0.00 -0.03 0.00 0.00 56.01 53.54 3fa3 n LEU 132 Cb 0.52 0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 3fa3 n LEU 132 CO 0.26 -0.42 -0.47 -0.69 -1.33 0.00 0.00 177.39 174.75 3fa3 s VAL 133 N -2.00 1.58 0.97 4.08 1.01 -0.40 -4.44 120.40 121.19 3fa3 s VAL 133 Ca 0.13 -1.77 -0.13 0.00 0.00 0.00 0.00 61.98 60.21 3fa3 s VAL 133 Cb -0.01 -1.66 0.06 0.00 0.00 0.00 0.00 36.38 34.77 3fa3 s VAL 133 CO 0.08 -0.33 0.45 0.47 0.00 0.00 0.00 175.10 175.77 3fa3 n ASP 134 N 0.51 -1.89 -0.01 3.32 10.43 -1.26 -4.77 116.55 122.87 3fa3 n ASP 134 Ca -0.15 0.29 -0.10 0.00 2.57 0.00 0.00 54.79 57.40 3fa3 n ASP 134 Cb 0.57 -1.21 -0.03 0.00 1.84 0.00 0.00 41.12 42.28 3fa3 n ASP 134 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 3fa3 h THR 135 N -1.65 0.33 -0.97 -3.53 2.02 -2.00 -2.89 112.91 104.21 3fa3 h THR 135 Ca -0.44 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.74 3fa3 h THR 135 Cb 1.29 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 3fa3 h THR 135 CO 0.35 0.00 0.65 0.44 0.37 0.00 0.00 175.52 177.33 3fa3 h ASP 136 N -0.35 1.12 0.17 4.18 5.19 -1.99 -0.73 116.42 124.01 3fa3 h ASP 136 Ca 0.11 -0.03 -0.09 0.00 -0.62 0.00 0.00 57.03 56.40 3fa3 h ASP 136 Cb 0.51 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 3fa3 h ASP 136 CO -0.36 0.81 -0.31 0.74 -3.12 0.00 0.00 179.24 177.00 3fa3 h THR 137 N 1.32 1.26 0.00 0.35 2.02 -1.89 -0.48 112.91 115.49 3fa3 h THR 137 Ca 0.36 -1.25 -0.21 0.00 0.77 0.00 0.00 66.41 66.07 3fa3 h THR 137 Cb -0.15 1.52 0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3fa3 h THR 137 CO -0.08 0.38 -0.81 0.22 0.37 0.00 0.00 175.52 175.60 3fa3 h TYR 138 N 0.20 0.81 -0.81 3.16 3.20 -1.15 -3.24 116.97 119.14 3fa3 h TYR 138 Ca 0.03 -0.44 -0.04 0.00 3.14 0.00 0.00 58.73 61.42 3fa3 h TYR 138 Cb 0.65 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 3fa3 h TYR 138 CO 0.01 1.27 0.36 0.28 -1.64 0.00 0.00 178.16 178.45 3fa3 h VAL 139 N 0.12 1.26 -0.94 1.81 2.07 -0.81 0.16 116.25 119.92 3fa3 h VAL 139 Ca -0.10 -0.75 0.15 0.00 0.82 0.00 0.00 66.70 66.81 3fa3 h VAL 139 Cb 1.50 0.25 -0.15 0.00 -1.52 0.00 0.00 31.29 31.36 3fa3 h VAL 139 CO 0.16 0.32 -0.38 0.74 0.02 0.00 0.00 177.57 178.42 3fa3 h THR 140 N 1.16 0.03 -0.28 2.57 2.02 -1.19 0.26 112.91 117.48 3fa3 h THR 140 Ca 0.27 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 3fa3 h THR 140 Cb 0.15 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3fa3 h THR 140 CO -0.03 0.00 0.08 0.03 0.37 0.00 0.00 175.52 175.97 3fa3 h ARG 141 N -0.02 0.44 -0.62 6.66 3.08 -0.72 0.59 114.38 123.78 3fa3 h ARG 141 Ca 0.33 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.21 3fa3 h ARG 141 Cb 0.59 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3fa3 h ARG 141 CO -0.95 0.51 0.11 0.82 -1.07 0.00 0.00 179.97 179.39 3fa3 h ILE 142 N 0.29 1.26 0.10 2.04 1.08 -0.99 -1.36 117.51 119.93 3fa3 h ILE 142 Ca 0.09 -1.00 0.02 0.00 -0.39 0.00 0.00 64.86 63.58 3fa3 h ILE 142 Cb 0.25 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 3fa3 h ILE 142 CO -0.00 0.37 -0.19 -0.09 -0.69 0.00 0.00 178.15 177.54 3fa3 h ARG 143 N 0.94 -0.36 -0.40 2.37 9.65 0.16 -1.48 114.38 125.26 3fa3 h ARG 143 Ca 0.19 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.14 3fa3 h ARG 143 Cb 0.42 0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 29.01 3fa3 h ARG 143 CO 0.01 -0.24 -0.43 0.00 2.80 0.00 0.00 179.97 182.12 3fa3 h ALA 144 N 0.45 -0.61 -0.43 2.80 0.00 0.56 -0.72 119.26 121.31 3fa3 h ALA 144 Ca 0.03 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3fa3 h ALA 144 Cb 0.39 1.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 3fa3 h ALA 144 CO -0.11 -0.84 -0.54 0.00 0.00 0.00 0.00 179.25 177.76 3fa3 h ALA 145 N -0.26 -0.76 -0.76 0.00 0.00 -1.13 0.24 119.26 116.60 3fa3 h ALA 145 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3fa3 h ALA 145 Cb 0.42 1.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 3fa3 h ALA 145 CO -0.50 -1.02 0.50 -0.39 0.00 0.00 0.00 179.25 177.83 3fa3 h VAL 146 N -0.36 1.11 0.29 0.00 -1.51 -0.96 0.65 116.25 115.47 3fa3 h VAL 146 Ca 0.07 -0.31 -0.01 0.00 -1.23 0.00 0.00 66.70 65.22 3fa3 h VAL 146 Cb 0.56 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 29.84 3fa3 h VAL 146 CO -0.59 0.17 -0.14 1.56 -1.23 0.00 0.00 177.57 177.33 3fa3 h GLN 147 N 0.91 -0.38 -0.67 5.19 4.20 0.03 -1.95 115.11 122.45 3fa3 h GLN 147 Ca 0.30 0.03 0.14 0.00 0.06 0.00 0.00 58.65 59.18 3fa3 h GLN 147 Cb 0.07 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 27.83 3fa3 h GLN 147 CO -0.09 -0.05 0.05 0.00 -0.67 0.00 0.00 178.83 178.07 3fa3 h ALA 148 N -0.23 0.73 -0.54 3.87 0.00 -0.34 0.17 119.26 122.92 3fa3 h ALA 148 Ca -0.04 0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.14 3fa3 h ALA 148 Cb 0.50 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 3fa3 h ALA 148 CO 0.07 -0.38 0.16 -0.09 0.00 0.00 0.00 179.25 179.01 3fa3 h ARG 149 N 0.16 0.31 -0.13 0.00 2.43 -0.89 -3.05 114.38 113.22 3fa3 h ARG 149 Ca 0.36 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 59.30 3fa3 h ARG 149 Cb 0.60 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3fa3 h ARG 149 CO -0.54 0.21 -0.73 1.96 -1.51 0.00 0.00 179.97 179.36 3fa3 h GLN 150 N 0.32 0.72 -0.75 0.20 4.20 -0.30 -1.80 115.11 117.69 3fa3 h GLN 150 Ca 0.27 -0.60 0.18 0.00 0.06 0.00 0.00 58.65 58.56 3fa3 h GLN 150 Cb 0.34 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 3fa3 h GLN 150 CO -0.31 1.21 0.52 -0.09 -0.67 0.00 0.00 178.83 179.49 3fa3 h ARG 151 N 0.41 0.21 -0.57 1.46 2.43 -0.72 -2.67 114.38 114.94 3fa3 h ARG 151 Ca -0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3fa3 h ARG 151 Cb 1.36 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3fa3 h ARG 151 CO 0.15 0.14 0.00 0.44 -1.51 0.00 0.00 179.97 179.19 3fa3 n ILE 152 N -4.42 1.24 -0.69 1.20 -5.35 -1.15 -4.95 119.36 105.25 3fa3 n ILE 152 Ca 0.15 -1.09 0.00 0.00 -0.27 0.00 0.00 62.75 61.54 3fa3 n ILE 152 Cb 0.67 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 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 1.06 0.30 3.75 3.28 0.00 -1.01 -4.95 105.19 107.62 3fa3 n GLY 153 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.28 6.91 0.00 1.61 0.15 -0.69 -4.92 113.70 114.47 3fa3 s SER 154 Ca 0.00 2.46 0.23 0.00 0.70 0.00 0.00 55.95 59.34 3fa3 s SER 154 Cb 0.00 -2.62 0.48 0.00 -1.71 0.00 0.00 66.02 62.17 3fa3 s SER 154 CO 0.00 -0.49 1.43 0.47 1.20 0.00 0.00 173.24 175.85 3fa3 n ASP 155 N 2.00 2.94 -4.39 5.45 8.00 -1.26 -4.56 116.55 124.73 3fa3 n ASP 155 Ca 0.04 -1.92 -0.35 0.00 0.71 0.00 0.00 54.79 53.27 3fa3 n ASP 155 Cb 0.43 -0.17 0.08 0.00 -0.02 0.00 0.00 41.12 41.43 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 1.18 0.90 -3.72 0.53 3.06 -1.26 -4.57 119.36 115.47 3fa3 n ILE 156 Ca 0.18 -0.34 -0.36 0.00 -2.50 0.00 0.00 62.75 59.72 3fa3 n ILE 156 Cb 0.54 -0.58 -0.10 0.00 0.54 0.00 0.00 39.64 40.03 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 -2.09 5.11 -0.39 9.51 1.01 -0.69 -5.00 120.40 127.86 3fa3 s VAL 157 Ca 0.59 0.09 -0.14 0.00 0.00 0.00 0.00 61.98 62.53 3fa3 s VAL 157 Cb -0.29 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.72 3fa3 s VAL 157 CO 0.64 0.35 0.28 -0.69 0.00 0.00 0.00 175.10 175.68 3fa3 s VAL 158 N 1.14 5.18 -0.30 2.92 1.01 -1.26 -1.80 120.40 127.30 3fa3 s VAL 158 Ca 0.06 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 3fa3 s VAL 158 Cb -0.14 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3fa3 s VAL 158 CO 0.05 -0.25 0.17 -0.63 0.00 0.00 0.00 175.10 174.43 3fa3 s ILE 159 N 1.67 4.91 -0.50 2.22 1.01 -0.67 0.87 121.20 130.72 3fa3 s ILE 159 Ca 0.05 -0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.34 3fa3 s ILE 159 Cb -0.19 -3.42 0.04 0.00 0.01 0.00 0.00 42.46 38.91 3fa3 s ILE 159 CO 0.10 0.16 0.73 0.00 0.00 0.00 0.00 174.94 175.92 3fa3 s ALA 160 N 1.68 3.31 0.37 9.38 0.00 0.05 -1.56 121.76 134.99 3fa3 s ALA 160 Ca 0.06 -1.42 -0.04 0.00 0.00 0.00 0.00 51.96 50.56 3fa3 s ALA 160 Cb -0.16 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 3fa3 s ALA 160 CO 0.08 -2.05 0.64 0.50 0.00 0.00 0.00 175.76 174.93 3fa3 s ARG 161 N 3.09 3.59 -0.08 0.00 3.52 -0.08 -0.37 118.95 128.62 3fa3 s ARG 161 Ca 0.22 0.03 -0.03 0.00 -0.13 0.00 0.00 55.73 55.83 3fa3 s ARG 161 Cb -0.16 -2.55 0.04 0.00 -1.56 0.00 0.00 34.95 30.73 3fa3 s ARG 161 CO 0.16 0.05 0.05 -0.08 -0.81 0.00 0.00 175.30 174.68 3fa3 s THR 162 N -2.36 0.02 -0.46 4.11 -1.32 0.17 -4.12 115.64 111.68 3fa3 s THR 162 Ca 0.45 0.20 0.06 0.00 -1.21 0.00 0.00 61.69 61.18 3fa3 s THR 162 Cb -0.10 -0.36 0.43 0.00 -1.51 0.00 0.00 72.50 70.96 3fa3 s THR 162 CO 0.36 0.08 1.31 0.47 -2.21 0.00 0.00 174.62 174.63 3fa3 n ASP 163 N 5.25 3.59 0.07 8.08 8.00 -1.26 -2.74 116.55 137.54 3fa3 n ASP 163 Ca -0.05 -2.66 -0.17 0.00 0.71 0.00 0.00 54.79 52.62 3fa3 n ASP 163 Cb 0.50 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.82 3fa3 n ASP 163 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3fa3 h SER 164 N 1.66 0.40 -0.75 -2.24 4.64 -1.94 -3.39 113.55 111.93 3fa3 h SER 164 Ca 0.13 -0.53 0.07 0.00 -0.47 0.00 0.00 61.79 60.98 3fa3 h SER 164 Cb 1.59 -0.13 -0.09 0.00 -0.31 0.00 0.00 62.40 63.46 3fa3 h SER 164 CO 0.40 1.44 -0.43 -0.11 -0.87 0.00 0.00 176.83 177.26 3fa3 n LEU 165 N -3.47 -0.77 -0.01 5.97 7.94 -1.26 -0.05 117.00 125.35 3fa3 n LEU 165 Ca -0.15 1.33 -0.03 0.00 -1.11 0.00 0.00 56.01 56.05 3fa3 n LEU 165 Cb 1.04 -0.18 0.22 0.00 0.53 0.00 0.00 43.42 45.03 3fa3 n LEU 165 CO 0.51 -1.09 0.81 0.06 -1.11 0.00 0.00 177.39 176.56 3fa3 h GLN 166 N 0.00 0.55 -0.01 1.96 3.07 -1.91 0.39 115.11 119.15 3fa3 h GLN 166 Ca 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 58.65 58.70 3fa3 h GLN 166 Cb 0.32 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.83 3fa3 h GLN 166 CO -0.71 0.68 -0.54 0.25 0.09 0.00 0.00 178.83 178.60 3fa3 n THR 167 N -4.18 0.00 -0.30 1.86 -2.24 0.38 -4.56 114.28 105.24 3fa3 n THR 167 Ca 0.01 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3fa3 n THR 167 Cb 0.35 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.33 0.00 0.00 4.78 8.25 0.92 -5.11 115.22 123.73 3fa3 n HIS 168 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3fa3 n HIS 168 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 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 0.00 -1.38 0.14 -1.41 0.00 0.14 -4.28 105.19 98.39 3fa3 n GLY 169 Ca 0.00 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.38 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 0.16 -0.33 1.61 3.20 -1.94 -2.56 116.97 117.11 3fa3 h TYR 170 Ca 0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3fa3 h TYR 170 Cb 0.00 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3fa3 h TYR 170 CO 0.00 0.07 0.06 0.93 -1.64 0.00 0.00 178.16 177.58 3fa3 h GLU 171 N 0.22 0.49 0.04 1.82 4.39 -1.99 -1.06 114.58 118.49 3fa3 h GLU 171 Ca 0.13 -0.08 -0.23 0.00 0.34 0.00 0.00 59.36 59.52 3fa3 h GLU 171 Cb 0.11 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3fa3 h GLU 171 CO -0.15 0.46 -1.02 1.49 -1.16 0.00 0.00 179.01 178.64 3fa3 h GLU 172 N 0.48 0.28 -0.38 2.33 4.57 -1.71 -2.42 114.58 117.72 3fa3 h GLU 172 Ca 0.11 -0.35 0.05 0.00 -1.18 0.00 0.00 59.36 57.99 3fa3 h GLU 172 Cb 0.21 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 3fa3 h GLU 172 CO -0.00 1.09 0.09 0.77 -1.18 0.00 0.00 179.01 179.78 3fa3 h SER 173 N 0.13 0.05 -0.20 1.04 0.02 -0.95 -0.71 113.55 112.93 3fa3 h SER 173 Ca -0.08 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3fa3 h SER 173 Cb 1.68 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 64.28 3fa3 h SER 173 CO 0.16 0.06 0.11 0.58 -1.14 0.00 0.00 176.83 176.61 3fa3 h VAL 174 N 0.23 1.11 -0.92 2.27 2.07 -1.15 -2.89 116.25 116.98 3fa3 h VAL 174 Ca 0.18 -0.30 0.17 0.00 0.82 0.00 0.00 66.70 67.57 3fa3 h VAL 174 Cb 0.20 0.94 -0.10 0.00 -1.52 0.00 0.00 31.29 30.81 3fa3 h VAL 174 CO -0.22 0.11 0.51 0.00 0.02 0.00 0.00 177.57 177.98 3fa3 h ALA 175 N 0.99 1.46 -0.09 1.67 0.00 -0.88 0.48 119.26 122.89 3fa3 h ALA 175 Ca 0.07 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 3fa3 h ALA 175 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fa3 h ALA 175 CO -0.01 -0.09 -0.68 0.00 0.00 0.00 0.00 179.25 178.48 3fa3 h ARG 176 N 0.67 0.39 0.10 0.00 3.08 -0.94 -2.00 114.38 115.67 3fa3 h ARG 176 Ca 0.52 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 3fa3 h ARG 176 Cb 0.78 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.89 3fa3 h ARG 176 CO -0.38 0.93 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.33 3fa3 h LEU 177 N 0.28 -0.11 -0.94 3.04 3.38 -0.86 0.19 115.31 120.29 3fa3 h LEU 177 Ca -0.02 -0.40 0.30 0.00 0.09 0.00 0.00 57.88 57.85 3fa3 h LEU 177 Cb 1.23 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.84 3fa3 h LEU 177 CO 0.12 0.53 0.15 0.54 0.09 0.00 0.00 178.44 179.87 3fa3 n ARG 178 N -4.83 -0.07 0.26 1.13 1.74 0.15 0.16 116.66 115.21 3fa3 n ARG 178 Ca -0.06 1.38 -0.10 0.00 -0.77 0.00 0.00 57.85 58.29 3fa3 n ARG 178 Cb 0.25 -2.26 -0.05 0.00 -1.02 0.00 0.00 32.46 29.37 3fa3 n ARG 178 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fa3 h ALA 179 N 1.88 -0.91 -0.94 7.54 0.00 -1.29 -2.65 119.26 122.89 3fa3 h ALA 179 Ca 0.63 -0.15 0.28 0.00 0.00 0.00 0.00 54.91 55.68 3fa3 h ALA 179 Cb 1.43 0.26 -0.15 0.00 0.00 0.00 0.00 17.79 19.33 3fa3 h ALA 179 CO -0.84 -0.86 0.33 0.00 0.00 0.00 0.00 179.25 177.87 3fa3 h ALA 180 N -1.50 1.53 -0.14 0.00 0.00 0.33 0.02 119.26 119.50 3fa3 h ALA 180 Ca -0.07 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3fa3 h ALA 180 Cb 0.52 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3fa3 h ALA 180 CO 0.11 -0.56 0.01 -0.09 0.00 0.00 0.00 179.25 178.72 3fa3 h ARG 181 N 0.19 0.06 -0.84 0.00 2.43 -0.35 -2.31 114.38 113.56 3fa3 h ARG 181 Ca 0.64 -0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.98 3fa3 h ARG 181 Cb 1.39 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.87 3fa3 h ARG 181 CO -0.69 0.04 0.55 -0.44 -1.51 0.00 0.00 179.97 177.92 3fa3 h ASP 182 N 0.06 0.42 -0.01 -3.80 5.19 -0.67 0.37 116.42 117.98 3fa3 h ASP 182 Ca 0.06 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3fa3 h ASP 182 Cb 0.07 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.53 3fa3 h ASP 182 CO -0.10 0.20 0.00 0.00 -3.12 0.00 0.00 179.24 176.22 3fa3 n ALA 183 N -2.51 2.63 -0.38 3.45 0.00 -0.42 -4.92 120.51 118.37 3fa3 n ALA 183 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3fa3 n ALA 183 Cb 0.60 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.90 0.78 3.43 0.00 0.00 0.13 -4.47 105.19 105.96 3fa3 n GLY 184 Ca 0.18 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.64 -0.08 4.61 0.00 -1.05 -4.95 121.76 117.66 3fa3 s ALA 185 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.61 3fa3 s ALA 185 Cb 0.00 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 19.92 3fa3 s ALA 185 CO 0.00 -4.13 -0.05 -0.25 0.00 0.00 0.00 175.76 171.33 3fa3 n ASP 186 N -5.17 3.40 -4.25 0.00 8.00 0.25 -4.82 116.55 113.96 3fa3 n ASP 186 Ca 0.05 -0.03 -0.30 0.00 0.71 0.00 0.00 54.79 55.22 3fa3 n ASP 186 Cb 0.56 0.05 -0.16 0.00 -0.02 0.00 0.00 41.12 41.55 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 -2.16 1.91 -0.10 2.53 1.01 -1.01 -4.08 120.40 118.50 3fa3 s VAL 187 Ca -0.09 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.72 3fa3 s VAL 187 Cb 0.03 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 3fa3 s VAL 187 CO 0.20 0.54 0.44 -0.83 0.00 0.00 0.00 175.10 175.45 3fa3 s GLY 188 N -0.26 2.39 -0.45 4.51 0.00 -0.62 -0.77 107.32 112.13 3fa3 s GLY 188 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 44.72 44.52 3fa3 s GLY 188 CO 0.02 0.60 0.24 -0.12 0.00 0.00 0.00 173.10 173.85 3fa3 s PHE 189 N 0.25 2.07 -0.78 1.90 5.99 0.50 0.59 117.98 128.50 3fa3 s PHE 189 Ca 0.24 -2.48 -0.21 0.00 0.00 0.00 0.00 56.93 54.48 3fa3 s PHE 189 Cb -0.15 -1.94 0.09 0.00 0.00 0.00 0.00 43.02 41.01 3fa3 s PHE 189 CO 0.10 -0.78 1.06 -1.17 -0.00 0.00 0.00 175.22 174.44 3fa3 s LEU 190 N 0.29 4.52 0.65 6.12 0.20 -1.26 -0.66 118.68 128.54 3fa3 s LEU 190 Ca 0.18 -1.37 -0.18 0.00 0.69 0.00 0.00 54.13 53.45 3fa3 s LEU 190 Cb -0.24 -2.43 -0.01 0.00 -0.43 0.00 0.00 46.19 43.08 3fa3 s LEU 190 CO -0.00 -1.33 1.22 1.21 -0.29 0.00 0.00 176.35 177.16 3fa3 n GLU 191 N 7.44 1.00 -3.92 1.98 4.07 -1.11 -3.79 120.64 126.32 3fa3 n GLU 191 Ca 0.09 0.40 -0.26 0.00 -0.06 0.00 0.00 57.16 57.33 3fa3 n GLU 191 Cb 0.47 -2.45 -0.01 0.00 -0.06 0.00 0.00 31.44 29.39 3fa3 n GLU 191 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3fa3 n GLY 192 N 0.98 -0.29 3.77 8.31 0.00 -1.26 -4.76 105.19 111.94 3fa3 n GLY 192 Ca 0.15 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 3fa3 n GLY 192 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fa3 s ILE 193 N -3.90 2.15 -0.63 -0.61 1.01 -1.25 -4.77 121.20 113.21 3fa3 s ILE 193 Ca 0.04 0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.90 3fa3 s ILE 193 Cb -0.02 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.37 3fa3 s ILE 193 CO 0.88 0.02 0.52 0.35 0.00 0.00 0.00 174.94 176.72 3fa3 n THR 194 N -0.10 0.00 -3.53 2.92 -2.24 -1.26 -3.32 114.28 106.75 3fa3 n THR 194 Ca 0.05 -0.43 -0.10 0.00 -2.27 0.00 0.00 64.05 61.29 3fa3 n THR 194 Cb 0.42 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.70 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 -1.04 -0.39 0.24 3.42 1.04 -1.26 -4.65 113.70 111.05 3fa3 s SER 195 Ca 0.06 0.19 -0.02 0.00 0.48 0.00 0.00 55.95 56.65 3fa3 s SER 195 Cb 0.05 0.37 0.28 0.00 0.10 0.00 0.00 66.02 66.82 3fa3 s SER 195 CO 0.17 -0.53 1.68 0.03 0.98 0.00 0.00 173.24 175.56 3fa3 h ARG 196 N 2.26 0.69 -0.30 4.02 3.08 -1.97 -2.18 114.38 119.98 3fa3 h ARG 196 Ca -0.21 -0.26 0.06 0.00 0.07 0.00 0.00 59.98 59.64 3fa3 h ARG 196 Cb 1.21 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.16 3fa3 h ARG 196 CO 0.32 0.84 -0.08 1.49 -1.07 0.00 0.00 179.97 181.46 3fa3 h GLU 197 N 0.61 -0.00 -0.76 0.04 4.57 -1.99 -0.58 114.58 116.46 3fa3 h GLU 197 Ca 0.09 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 3fa3 h GLU 197 Cb 0.67 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.23 3fa3 h GLU 197 CO 0.05 -0.00 0.35 1.98 -1.18 0.00 0.00 179.01 180.21 3fa3 h MET 198 N -0.00 1.10 0.05 1.92 4.05 -1.90 -1.27 114.93 118.88 3fa3 h MET 198 Ca 0.15 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3fa3 h MET 198 Cb 0.22 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 3fa3 h MET 198 CO -0.31 0.86 -0.02 0.00 0.23 0.00 0.00 176.91 177.66 3fa3 h ALA 199 N 1.30 -0.07 -0.61 0.39 0.00 -1.07 -2.17 119.26 117.03 3fa3 h ALA 199 Ca 0.26 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3fa3 h ALA 199 Cb 0.13 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3fa3 h ALA 199 CO -0.03 -0.28 0.40 0.00 0.00 0.00 0.00 179.25 179.35 3fa3 h ARG 200 N -0.60 0.69 0.38 0.00 3.08 -1.05 -2.74 114.38 114.15 3fa3 h ARG 200 Ca -0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3fa3 h ARG 200 Cb 0.52 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3fa3 h ARG 200 CO 0.01 0.46 -0.42 0.37 -1.07 0.00 0.00 179.97 179.32 3fa3 h GLN 201 N 0.71 -0.78 -0.45 0.04 5.75 -1.16 -2.81 115.11 116.41 3fa3 h GLN 201 Ca 0.24 0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.72 3fa3 h GLN 201 Cb 0.09 0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 3fa3 h GLN 201 CO -0.07 -0.52 -0.02 -0.24 -2.65 0.00 0.00 178.83 175.33 3fa3 h VAL 202 N -0.81 1.24 0.05 2.39 3.04 -1.12 0.89 116.25 121.93 3fa3 h VAL 202 Ca -0.05 -1.00 0.02 0.00 -1.01 0.00 0.00 66.70 64.66 3fa3 h VAL 202 Cb 0.72 0.92 -0.04 0.00 -2.01 0.00 0.00 31.29 30.88 3fa3 h VAL 202 CO -0.07 0.35 -0.23 0.40 -1.01 0.00 0.00 177.57 177.00 3fa3 h ILE 203 N 0.69 0.47 -0.38 3.17 2.04 -1.57 0.28 117.51 122.22 3fa3 h ILE 203 Ca 0.13 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.90 3fa3 h ILE 203 Cb 0.46 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3fa3 h ILE 203 CO 0.02 0.00 -0.14 -0.61 0.00 0.00 0.00 178.15 177.43 3fa3 h GLN 204 N -0.39 0.68 -0.61 2.37 5.75 -1.05 -0.71 115.11 121.15 3fa3 h GLN 204 Ca 0.05 -0.23 -0.08 0.00 -0.15 0.00 0.00 58.65 58.24 3fa3 h GLN 204 Cb 0.45 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 3fa3 h GLN 204 CO -0.18 0.79 0.08 -0.44 -2.65 0.00 0.00 178.83 176.44 3fa3 h ASP 205 N 0.62 0.97 -0.82 -0.69 3.32 0.10 -2.24 116.42 117.68 3fa3 h ASP 205 Ca 0.10 -0.23 -0.42 0.00 0.02 0.00 0.00 57.03 56.51 3fa3 h ASP 205 Cb 0.59 -0.26 -0.25 0.00 0.22 0.00 0.00 39.33 39.63 3fa3 h ASP 205 CO 0.04 0.97 0.45 0.18 -1.72 0.00 0.00 179.24 179.16 3fa3 n LEU 206 N -4.22 6.02 -4.51 1.55 4.77 0.98 -5.04 117.00 116.56 3fa3 n LEU 206 Ca 0.04 -3.64 -0.64 0.00 -0.03 0.00 0.00 56.01 51.74 3fa3 n LEU 206 Cb 0.29 -0.78 -0.09 0.00 -2.33 0.00 0.00 43.42 40.50 3fa3 n LEU 206 CO 0.42 1.10 1.03 0.00 -1.33 0.00 0.00 177.39 178.62 3fa3 n ALA 207 N -1.11 -1.57 -0.04 -1.18 0.00 -0.28 -1.57 120.51 114.76 3fa3 n ALA 207 Ca 0.52 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.45 3fa3 n ALA 207 Cb 1.50 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 3.53 0.43 3.30 0.00 0.00 -1.26 -5.05 105.19 106.14 3fa3 n GLY 208 Ca 0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.16 3.14 0.57 1.61 -0.00 -0.61 -5.08 118.94 116.41 3fa3 s TRP 209 Ca 0.00 -1.16 -0.18 0.00 -0.00 0.00 0.00 56.10 54.76 3fa3 s TRP 209 Cb 0.00 -2.21 -0.08 0.00 -0.00 0.00 0.00 33.47 31.18 3fa3 s TRP 209 CO 0.00 -0.62 0.62 -2.30 -0.00 0.00 0.00 176.95 174.65 3fa3 n PRO 210 N 4.81 0.60 -3.93 5.86 -0.02 -1.26 -4.73 135.00 136.34 3fa3 n PRO 210 Ca -0.15 0.23 -0.10 0.00 -2.02 0.00 0.00 63.50 61.47 3fa3 n PRO 210 Cb 0.47 -1.80 -0.10 0.00 -0.02 0.00 0.00 33.50 32.05 3fa3 n PRO 210 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fa3 s LEU 211 N 0.17 1.92 0.07 2.45 1.43 -1.26 -1.59 118.68 121.88 3fa3 s LEU 211 Ca 0.70 -0.38 0.10 0.00 -1.03 0.00 0.00 54.13 53.51 3fa3 s LEU 211 Cb -0.45 0.39 -0.03 0.00 0.03 0.00 0.00 46.19 46.13 3fa3 s LEU 211 CO 0.53 -0.35 -0.26 -0.22 0.23 0.00 0.00 176.35 176.28 3fa3 s LEU 212 N -1.50 2.27 -0.26 1.79 0.20 0.20 -2.00 118.68 119.38 3fa3 s LEU 212 Ca -0.14 -0.63 0.01 0.00 0.69 0.00 0.00 54.13 54.06 3fa3 s LEU 212 Cb -0.08 -1.29 0.05 0.00 -0.43 0.00 0.00 46.19 44.43 3fa3 s LEU 212 CO -0.00 0.23 -0.09 -0.22 -0.29 0.00 0.00 176.35 175.98 3fa3 s LEU 213 N -1.55 3.37 -0.86 -0.68 2.96 -0.25 -4.28 118.68 117.39 3fa3 s LEU 213 Ca 0.13 -1.20 -0.19 0.00 -0.22 0.00 0.00 54.13 52.64 3fa3 s LEU 213 Cb -0.10 -1.60 0.12 0.00 0.50 0.00 0.00 46.19 45.11 3fa3 s LEU 213 CO 0.04 -0.18 1.07 0.21 -1.32 0.00 0.00 176.35 176.17 3fa3 s ASN 214 N 1.19 6.52 -1.33 3.68 2.47 -1.26 -2.23 114.94 123.99 3fa3 s ASN 214 Ca -0.05 -1.83 -0.16 0.00 0.42 0.00 0.00 52.86 51.25 3fa3 s ASN 214 Cb -0.19 -2.40 0.08 0.00 -1.45 0.00 0.00 41.25 37.30 3fa3 s ASN 214 CO -0.05 -1.13 1.83 0.80 -3.72 0.00 0.00 177.10 174.83 3fa3 n MET 215 N 6.73 3.17 -3.38 0.43 0.00 -0.33 -4.84 117.12 118.89 3fa3 n MET 215 Ca 0.17 -3.21 -0.38 0.00 -0.00 0.00 0.00 57.70 54.28 3fa3 n MET 215 Cb 0.48 -3.34 -0.07 0.00 0.00 0.00 0.00 33.22 30.29 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 3.32 5.21 0.29 1.12 1.01 -1.26 -4.51 120.40 125.58 3fa3 s VAL 216 Ca 0.50 0.80 -0.18 0.00 0.00 0.00 0.00 61.98 63.10 3fa3 s VAL 216 Cb 0.06 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 3fa3 s VAL 216 CO 0.02 0.31 0.76 -1.61 0.00 0.00 0.00 175.10 174.58 3fa3 s GLU 217 N 0.82 4.15 -1.25 2.72 2.02 -1.26 -4.09 118.70 121.80 3fa3 s GLU 217 Ca 0.22 0.82 -0.01 0.00 0.02 0.00 0.00 54.97 56.02 3fa3 s GLU 217 Cb -0.14 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.49 3fa3 s GLU 217 CO 0.08 0.24 0.15 0.72 0.02 0.00 0.00 175.26 176.47 3fa3 n HIS 218 N 0.07 -0.97 0.00 1.61 8.25 -1.26 -4.96 115.22 117.96 3fa3 n HIS 218 Ca 0.02 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 3fa3 n HIS 218 Cb 0.52 -3.32 0.00 0.00 1.12 0.00 0.00 29.99 28.32 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 1.46 0.00 -1.41 0.00 -1.26 -5.00 105.19 97.86 3fa3 n GLY 219 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 3.65 -3.23 4.61 0.00 -1.26 -4.93 120.51 116.35 3fa3 n ALA 220 Ca 0.00 -0.37 -0.33 0.00 0.00 0.00 0.00 53.44 52.73 3fa3 n ALA 220 Cb 0.00 -1.08 -0.15 0.00 0.00 0.00 0.00 19.45 18.22 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 -3.01 2.96 0.77 0.00 2.01 -1.21 -4.04 115.64 113.12 3fa3 s THR 221 Ca 0.10 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 3fa3 s THR 221 Cb 0.17 -2.26 0.05 0.00 0.01 0.00 0.00 72.50 70.48 3fa3 s THR 221 CO 0.72 0.51 1.08 -2.16 -0.69 0.00 0.00 174.62 174.08 3fa3 s PRO 222 N 0.60 2.30 -0.34 4.92 0.04 -1.26 -4.33 135.00 136.92 3fa3 s PRO 222 Ca -0.08 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 61.69 3fa3 s PRO 222 Cb -0.16 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.47 3fa3 s PRO 222 CO 0.03 -1.57 1.45 -1.12 0.04 0.00 0.00 177.00 175.83 3fa3 s SER 223 N -3.56 6.40 -0.28 6.66 0.01 -1.26 -4.98 113.70 116.70 3fa3 s SER 223 Ca 0.61 1.11 0.01 0.00 1.31 0.00 0.00 55.95 58.99 3fa3 s SER 223 Cb -0.16 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.59 3fa3 s SER 223 CO 0.56 -1.32 -0.06 -0.63 0.41 0.00 0.00 173.24 172.19 3fa3 s ILE 224 N 5.21 2.45 0.78 1.44 1.01 -1.26 -5.13 121.20 125.70 3fa3 s ILE 224 Ca 0.63 -1.61 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 3fa3 s ILE 224 Cb -0.17 -2.46 0.07 0.00 0.01 0.00 0.00 42.46 39.91 3fa3 s ILE 224 CO 0.29 -0.10 1.15 -0.94 0.00 0.00 0.00 174.94 175.34 3fa3 s SER 225 N 1.15 4.08 0.31 3.58 1.04 -1.26 -4.71 113.70 117.89 3fa3 s SER 225 Ca -0.06 2.12 0.13 0.00 0.48 0.00 0.00 55.95 58.61 3fa3 s SER 225 Cb -0.20 -2.56 1.00 0.00 0.10 0.00 0.00 66.02 64.36 3fa3 s SER 225 CO -0.04 -2.33 1.38 0.00 0.98 0.00 0.00 173.24 173.23 3fa3 n ALA 226 N -3.27 0.74 0.05 5.32 0.00 -1.26 -1.64 120.51 120.46 3fa3 n ALA 226 Ca 0.11 0.91 -0.18 0.00 0.00 0.00 0.00 53.44 54.29 3fa3 n ALA 226 Cb 0.52 -0.82 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 3fa3 n ALA 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 h ALA 227 N 1.75 0.22 -0.01 0.00 0.00 -1.99 -1.35 119.26 117.88 3fa3 h ALA 227 Ca 0.67 -0.70 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 3fa3 h ALA 227 Cb 1.66 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 3fa3 h ALA 227 CO -0.73 0.74 -0.82 0.93 0.00 0.00 0.00 179.25 179.36 3fa3 h GLU 228 N 0.33 0.22 -0.88 0.00 5.08 -1.66 -2.26 114.58 115.43 3fa3 h GLU 228 Ca -0.11 -0.22 0.06 0.00 -1.00 0.00 0.00 59.36 58.09 3fa3 h GLU 228 Cb 1.66 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.90 3fa3 h GLU 228 CO 0.19 0.93 0.55 0.00 -1.00 0.00 0.00 179.01 179.67 3fa3 h ALA 229 N 1.00 1.21 0.00 3.43 0.00 -1.27 0.25 119.26 123.87 3fa3 h ALA 229 Ca -0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3fa3 h ALA 229 Cb 1.43 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3fa3 h ALA 229 CO 0.13 0.30 -0.51 -0.22 0.00 0.00 0.00 179.25 178.94 3fa3 h LYS 230 N 0.99 0.00 0.00 0.00 3.64 -1.07 0.97 116.57 121.10 3fa3 h LYS 230 Ca 0.38 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.54 3fa3 h LYS 230 Cb 0.17 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 3fa3 h LYS 230 CO -0.17 0.51 -1.33 1.49 -2.27 0.00 0.00 179.45 177.67 3fa3 h GLU 231 N 0.00 0.00 0.00 1.90 4.81 -0.72 -3.00 114.58 117.57 3fa3 h GLU 231 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3fa3 h GLU 231 Cb 0.91 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.29 3fa3 h GLU 231 CO 0.07 0.57 0.00 0.52 -0.73 0.00 0.00 179.01 179.44 3fa3 h MET 232 N 0.00 0.00 0.00 1.92 2.86 -0.56 -3.46 114.93 115.69 3fa3 h MET 232 Ca -0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3fa3 h MET 232 Cb 1.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.45 3fa3 h MET 232 CO 0.08 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.46 3fa3 n GLY 233 N 0.07 1.15 3.72 8.32 0.00 -1.11 -4.88 105.19 112.46 3fa3 n GLY 233 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 2.13 -0.14 1.61 0.40 0.32 -4.84 117.98 115.45 3fa3 s PHE 234 Ca 0.00 1.66 0.10 0.00 -0.60 0.00 0.00 56.93 58.08 3fa3 s PHE 234 Cb 0.00 -3.24 -0.14 0.00 0.51 0.00 0.00 43.02 40.15 3fa3 s PHE 234 CO 0.00 -2.31 0.27 0.54 0.70 0.00 0.00 175.22 174.42 3fa3 n ARG 235 N -3.56 1.32 -3.82 0.44 5.12 -0.85 -4.48 116.66 110.83 3fa3 n ARG 235 Ca 0.11 -0.06 -0.13 0.00 -1.93 0.00 0.00 57.85 55.83 3fa3 n ARG 235 Cb 0.52 -1.15 -0.15 0.00 -1.16 0.00 0.00 32.46 30.52 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 -2.46 -0.03 -0.05 0.55 1.01 -1.08 -2.12 121.20 117.02 3fa3 s ILE 236 Ca -0.02 0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.77 3fa3 s ILE 236 Cb 0.07 -0.05 0.01 0.00 0.01 0.00 0.00 42.46 42.49 3fa3 s ILE 236 CO 0.41 0.04 -0.13 -0.51 0.00 0.00 0.00 174.94 174.75 3fa3 s ILE 237 N 0.52 1.15 0.20 2.92 2.07 -0.64 -1.09 121.20 126.34 3fa3 s ILE 237 Ca -0.04 -0.53 0.11 0.00 -1.41 0.00 0.00 60.65 58.77 3fa3 s ILE 237 Cb -0.06 -1.02 -0.04 0.00 0.13 0.00 0.00 42.46 41.46 3fa3 s ILE 237 CO -0.02 0.35 -0.19 0.27 -1.91 0.00 0.00 174.94 173.44 3fa3 s ILE 238 N 0.36 2.62 -0.48 2.00 -4.36 -0.95 -1.45 121.20 118.95 3fa3 s ILE 238 Ca -0.09 -1.95 0.04 0.00 -0.26 0.00 0.00 60.65 58.40 3fa3 s ILE 238 Cb -0.13 -2.28 0.17 0.00 1.25 0.00 0.00 42.46 41.47 3fa3 s ILE 238 CO 0.03 -0.14 0.37 -0.36 0.24 0.00 0.00 174.94 175.08 3fa3 s PHE 239 N -1.74 1.64 0.42 1.37 0.40 -1.00 -1.19 117.98 117.88 3fa3 s PHE 239 Ca 0.23 -2.55 0.17 0.00 -0.60 0.00 0.00 56.93 54.18 3fa3 s PHE 239 Cb -0.08 -1.32 1.08 0.00 0.51 0.00 0.00 43.02 43.21 3fa3 s PHE 239 CO 0.12 -0.76 1.87 -1.35 0.70 0.00 0.00 175.22 175.80 3fa3 h PRO 240 N 5.60 0.39 -0.02 0.24 0.11 -1.89 0.18 132.00 136.62 3fa3 h PRO 240 Ca 0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3fa3 h PRO 240 Cb 0.88 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3fa3 h PRO 240 CO 0.45 0.26 -0.10 1.19 -0.21 0.00 0.00 178.00 179.59 3fa3 n PHE 241 N -4.50 0.00 -0.07 0.65 3.72 -1.26 -4.39 117.46 111.61 3fa3 n PHE 241 Ca 0.18 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.61 3fa3 n PHE 241 Cb 0.66 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.26 3fa3 n PHE 241 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fa3 n ALA 242 N 0.67 0.11 -0.12 4.37 0.00 -0.82 -0.95 120.51 123.78 3fa3 n ALA 242 Ca 0.09 0.22 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 3fa3 n ALA 242 Cb 0.41 -0.16 -0.12 0.00 0.00 0.00 0.00 19.45 19.58 3fa3 n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 n ALA 243 N -3.51 1.49 -0.01 0.00 0.00 -1.25 -4.64 120.51 112.59 3fa3 n ALA 243 Ca 0.05 -1.07 -0.16 0.00 0.00 0.00 0.00 53.44 52.26 3fa3 n ALA 243 Cb 0.16 -0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.48 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 0.00 0.87 -0.14 0.00 6.46 -1.31 -1.88 115.31 119.32 3fa3 h LEU 244 Ca -0.54 -0.57 0.05 0.00 -0.12 0.00 0.00 57.88 56.70 3fa3 h LEU 244 Cb 1.90 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 41.51 3fa3 h LEU 244 CO -0.06 1.36 -0.28 1.23 -0.62 0.00 0.00 178.44 180.07 3fa3 h GLY 245 N 0.68 -0.34 2.00 3.75 0.00 -1.64 -1.15 103.07 106.37 3fa3 h GLY 245 Ca -0.05 0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 3fa3 h GLY 245 CO 0.15 -0.21 -0.04 -2.55 0.00 0.00 0.00 176.54 173.89 3fa3 h PRO 246 N -0.35 0.00 0.17 4.80 0.11 -1.79 -0.37 132.00 134.58 3fa3 h PRO 246 Ca 0.10 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 3fa3 h PRO 246 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3fa3 h PRO 246 CO -0.34 0.04 -0.08 0.00 -0.21 0.00 0.00 178.00 177.42 3fa3 h ALA 247 N 1.96 -0.23 -0.29 -0.75 0.00 -0.44 -2.72 119.26 116.79 3fa3 h ALA 247 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3fa3 h ALA 247 Cb 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3fa3 h ALA 247 CO 0.01 -0.43 0.19 0.28 0.00 0.00 0.00 179.25 179.30 3fa3 h VAL 248 N -0.62 1.08 -0.82 0.00 2.07 -1.14 0.28 116.25 117.09 3fa3 h VAL 248 Ca -0.02 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3fa3 h VAL 248 Cb 0.46 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3fa3 h VAL 248 CO 0.04 0.07 0.55 0.00 0.02 0.00 0.00 177.57 178.25 3fa3 h ALA 249 N 1.11 1.42 0.21 1.67 0.00 -1.08 -0.10 119.26 122.48 3fa3 h ALA 249 Ca 0.11 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.64 3fa3 h ALA 249 Cb -0.05 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.44 3fa3 h ALA 249 CO -0.02 0.53 -1.49 0.00 0.00 0.00 0.00 179.25 178.27 3fa3 h ALA 250 N 1.49 -0.01 -0.45 0.00 0.00 -1.13 -2.77 119.26 116.39 3fa3 h ALA 250 Ca 0.31 -0.96 -0.12 0.00 0.00 0.00 0.00 54.91 54.14 3fa3 h ALA 250 Cb -0.11 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3fa3 h ALA 250 CO -0.07 0.78 -0.18 0.52 0.00 0.00 0.00 179.25 180.29 3fa3 h MET 251 N 0.02 0.89 0.14 0.00 2.86 -0.85 -2.22 114.93 115.77 3fa3 h MET 251 Ca -0.28 -0.35 0.02 0.00 -2.06 0.00 0.00 59.70 57.03 3fa3 h MET 251 Cb 2.04 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 33.61 3fa3 h MET 251 CO 0.21 0.99 -0.36 -0.09 1.06 0.00 0.00 176.91 178.72 3fa3 h ARG 252 N 0.78 -0.58 -0.55 1.72 2.43 -1.01 -0.93 114.38 116.24 3fa3 h ARG 252 Ca 0.11 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 3fa3 h ARG 252 Cb 0.72 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.35 3fa3 h ARG 252 CO 0.06 -0.39 0.27 1.49 -1.51 0.00 0.00 179.97 179.88 3fa3 h GLU 253 N -0.61 0.49 -0.28 0.20 4.81 -1.51 -1.91 114.58 115.77 3fa3 h GLU 253 Ca 0.02 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 3fa3 h GLU 253 Cb 0.63 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3fa3 h GLU 253 CO -0.20 0.33 -0.27 0.00 -0.73 0.00 0.00 179.01 178.14 3fa3 h ALA 254 N 1.31 1.00 -0.44 2.92 0.00 -1.23 -2.53 119.26 120.29 3fa3 h ALA 254 Ca 0.25 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3fa3 h ALA 254 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3fa3 h ALA 254 CO -0.19 0.59 -0.18 0.52 0.00 0.00 0.00 179.25 180.00 3fa3 h MET 255 N 0.49 0.90 -0.36 0.00 2.86 -0.97 -0.45 114.93 117.40 3fa3 h MET 255 Ca 0.07 -0.38 0.07 0.00 -2.06 0.00 0.00 59.70 57.40 3fa3 h MET 255 Cb 0.73 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.28 3fa3 h MET 255 CO 0.06 1.03 -0.11 0.93 1.06 0.00 0.00 176.91 179.87 3fa3 h GLU 256 N 0.73 -0.03 0.08 1.72 4.39 -1.18 -1.97 114.58 118.33 3fa3 h GLU 256 Ca 0.10 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.81 3fa3 h GLU 256 Cb 0.74 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 3fa3 h GLU 256 CO 0.06 -0.02 -0.12 -0.22 -1.16 0.00 0.00 179.01 177.55 3fa3 h LYS 257 N -0.03 -0.24 -0.26 2.33 3.64 -1.23 -0.91 116.57 119.86 3fa3 h LYS 257 Ca 0.17 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 3fa3 h LYS 257 Cb 0.29 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.09 3fa3 h LYS 257 CO -0.38 -0.16 -0.40 1.25 -2.27 0.00 0.00 179.45 177.49 3fa3 h LEU 258 N -0.25 -1.29 -0.43 5.20 5.85 -0.86 0.38 115.31 123.91 3fa3 h LEU 258 Ca 0.02 0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.97 3fa3 h LEU 258 Cb 0.26 0.55 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 3fa3 h LEU 258 CO -0.06 -0.38 -0.48 0.50 -0.34 0.00 0.00 178.44 177.67 3fa3 h LYS 259 N -0.39 -0.27 -0.05 1.25 3.11 -0.95 0.36 116.57 119.63 3fa3 h LYS 259 Ca 0.11 0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.94 3fa3 h LYS 259 Cb 0.59 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.88 3fa3 h LYS 259 CO -0.47 -0.18 -0.12 0.00 -2.81 0.00 0.00 179.45 175.86 3fa3 h ARG 260 N -0.28 0.08 0.00 1.90 3.08 -0.66 -3.31 114.38 115.19 3fa3 h ARG 260 Ca 0.07 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3fa3 h ARG 260 Cb 0.48 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 3fa3 h ARG 260 CO -0.56 0.21 -1.92 -0.25 -1.07 0.00 0.00 179.97 176.39 3fa3 n ASP 261 N -4.35 0.56 0.00 7.04 10.43 0.13 -5.01 116.55 125.35 3fa3 n ASP 261 Ca -0.02 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.34 3fa3 n ASP 261 Cb 0.22 1.81 0.00 0.00 1.84 0.00 0.00 41.12 44.99 3fa3 n ASP 261 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fa3 n GLY 262 N 1.44 0.51 3.61 0.44 0.00 0.12 -4.99 105.19 106.32 3fa3 n GLY 262 Ca -0.06 -0.57 0.01 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 -0.02 0.37 -0.61 2.07 -1.24 -5.07 121.20 114.70 3fa3 s ILE 263 Ca 0.00 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 3fa3 s ILE 263 Cb 0.00 -1.00 0.25 0.00 0.13 0.00 0.00 42.46 41.84 3fa3 s ILE 263 CO 0.00 0.00 2.02 1.55 -1.91 0.00 0.00 174.94 176.60 3fa3 h PRO 264 N 5.54 0.67 -5.65 3.50 0.13 -1.92 -3.40 132.00 130.87 3fa3 h PRO 264 Ca -0.25 -0.05 -0.32 0.00 -0.87 0.00 0.00 66.00 64.50 3fa3 h PRO 264 Cb 1.16 -0.15 0.17 0.00 0.13 0.00 0.00 31.00 32.31 3fa3 h PRO 264 CO 0.21 0.47 -0.79 0.41 -0.23 0.00 0.00 178.00 178.07 3fa3 n GLY 265 N -1.39 -0.49 3.87 1.56 0.00 -1.26 -4.62 105.19 102.86 3fa3 n GLY 265 Ca 0.04 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 -6.23 4.12 1.02 0.99 1.02 -1.26 -5.05 118.68 113.29 3fa3 s LEU 266 Ca 0.08 1.04 -0.13 0.00 0.02 0.00 0.00 54.13 55.14 3fa3 s LEU 266 Cb -0.01 -3.82 0.20 0.00 0.02 0.00 0.00 46.19 42.58 3fa3 s LEU 266 CO 0.74 -0.12 1.10 1.51 0.02 0.00 0.00 176.35 179.60 3fa3 s ASP 267 N -2.35 2.47 0.24 2.29 -4.77 -1.26 -4.84 116.67 108.45 3fa3 s ASP 267 Ca 0.50 1.06 -0.05 0.00 -3.30 0.00 0.00 52.55 50.76 3fa3 s ASP 267 Cb -0.11 -1.65 0.42 0.00 -1.09 0.00 0.00 42.92 40.49 3fa3 s ASP 267 CO 0.20 -3.21 1.74 0.11 0.70 0.00 0.00 175.17 174.71 3fa3 h LYS 268 N -1.95 0.47 0.00 2.11 1.57 -2.06 -1.71 116.57 114.99 3fa3 h LYS 268 Ca -0.53 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 3fa3 h LYS 268 Cb 1.33 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3fa3 h LYS 268 CO 0.56 0.31 0.00 0.39 -0.57 0.00 0.00 179.45 180.13 3fa3 n GLU 269 N -4.97 0.31 -3.01 3.15 1.02 -1.26 -4.16 120.64 111.72 3fa3 n GLU 269 Ca 0.13 0.08 -0.44 0.00 -0.02 0.00 0.00 57.16 56.91 3fa3 n GLU 269 Cb 0.38 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.29 3fa3 n GLU 269 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3fa3 s MET 270 N -2.57 4.06 0.47 3.49 -1.94 -0.65 -4.75 119.30 117.41 3fa3 s MET 270 Ca 0.21 -2.62 0.05 0.00 -1.71 0.00 0.00 55.69 51.61 3fa3 s MET 270 Cb 0.15 -4.96 -0.03 0.00 2.01 0.00 0.00 34.83 31.99 3fa3 s MET 270 CO 0.33 -1.68 0.09 0.95 -0.01 0.00 0.00 175.02 174.70 3fa3 s THR 271 N 1.20 1.70 0.21 2.05 -4.23 -1.26 -4.86 115.64 110.45 3fa3 s THR 271 Ca 0.40 -1.87 0.16 0.00 -1.18 0.00 0.00 61.69 59.20 3fa3 s THR 271 Cb -0.04 -2.57 0.09 0.00 1.34 0.00 0.00 72.50 71.32 3fa3 s THR 271 CO -0.02 0.00 1.71 -0.65 -0.54 0.00 0.00 174.62 175.12 3fa3 h PRO 272 N 1.41 0.00 -0.41 3.99 0.11 -1.97 -0.91 132.00 134.22 3fa3 h PRO 272 Ca -0.43 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.76 3fa3 h PRO 272 Cb 1.28 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.30 3fa3 h PRO 272 CO 0.73 0.43 -0.39 1.96 -0.21 0.00 0.00 178.00 180.53 3fa3 h GLN 273 N 0.00 -0.29 0.00 1.05 7.50 -1.97 -0.21 115.11 121.19 3fa3 h GLN 273 Ca -0.00 0.02 -0.03 0.00 0.50 0.00 0.00 58.65 59.13 3fa3 h GLN 273 Cb 0.93 0.07 -0.00 0.00 0.05 0.00 0.00 27.48 28.52 3fa3 h GLN 273 CO 0.06 -0.19 -0.15 1.98 -1.50 0.00 0.00 178.83 179.02 3fa3 h MET 274 N -0.30 0.00 0.16 1.46 1.85 -1.49 -2.13 114.93 114.49 3fa3 h MET 274 Ca 0.15 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.24 3fa3 h MET 274 Cb 0.57 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.60 3fa3 h MET 274 CO -0.56 0.15 -0.08 1.25 -0.40 0.00 0.00 176.91 177.27 3fa3 h LEU 275 N 0.00 -0.19 -0.68 3.39 5.85 -0.79 -2.95 115.31 119.95 3fa3 h LEU 275 Ca -0.00 -0.32 0.13 0.00 0.84 0.00 0.00 57.88 58.53 3fa3 h LEU 275 Cb 0.29 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 41.24 3fa3 h LEU 275 CO 0.02 0.38 -0.23 -0.26 -0.34 0.00 0.00 178.44 178.01 3fa3 h PHE 276 N -0.92 -0.56 0.38 1.25 0.05 -0.90 -1.50 116.94 114.74 3fa3 h PHE 276 Ca -0.02 0.07 -0.00 0.00 3.82 0.00 0.00 57.97 61.83 3fa3 h PHE 276 Cb 0.50 0.35 -0.02 0.00 2.00 0.00 0.00 35.95 38.77 3fa3 h PHE 276 CO 0.08 -0.33 -0.37 0.07 -0.18 0.00 0.00 178.31 177.57 3fa3 h ARG 277 N -0.05 -0.74 -1.15 1.51 0.11 -1.47 0.12 114.38 112.71 3fa3 h ARG 277 Ca 0.31 0.05 0.33 0.00 0.10 0.00 0.00 59.98 60.77 3fa3 h ARG 277 Cb 0.53 0.17 -0.05 0.00 1.11 0.00 0.00 29.97 31.74 3fa3 h ARG 277 CO -0.72 -0.50 1.09 0.28 0.10 0.00 0.00 179.97 180.23 3fa3 h VAL 278 N -0.77 0.11 -0.60 0.08 2.07 -1.17 -0.57 116.25 115.39 3fa3 h VAL 278 Ca -0.03 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.21 3fa3 h VAL 278 Cb 0.69 0.16 -0.17 0.00 -1.52 0.00 0.00 31.29 30.45 3fa3 h VAL 278 CO -0.06 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.74 3fa3 n GLY 280 N -0.98 0.25 0.39 0.00 0.00 -0.22 -4.94 105.19 99.68 3fa3 n GLY 280 Ca 0.42 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.55 -1.19 0.99 5.85 -1.35 -2.03 115.31 116.03 3fa3 h LEU 281 Ca -0.09 0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 3fa3 h LEU 281 Cb 1.01 0.71 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 3fa3 h LEU 281 CO 0.10 -0.32 -0.24 0.44 -0.34 0.00 0.00 178.44 178.08 3fa3 h ASP 282 N -0.19 0.00 -0.02 1.25 3.32 -1.86 -1.23 116.42 117.69 3fa3 h ASP 282 Ca 0.19 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3fa3 h ASP 282 Cb 0.55 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 3fa3 h ASP 282 CO -0.74 0.24 -0.01 -0.33 -1.72 0.00 0.00 179.24 176.68 3fa3 h GLU 283 N 0.00 0.04 -0.16 3.56 5.08 -1.87 -2.36 114.58 118.87 3fa3 h GLU 283 Ca -0.00 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 3fa3 h GLU 283 Cb 0.71 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 3fa3 h GLU 283 CO 0.03 0.48 -0.65 0.66 -1.00 0.00 0.00 179.01 178.53 3fa3 h SER 284 N -0.39 0.70 0.29 1.42 4.64 -1.20 -1.26 113.55 117.74 3fa3 h SER 284 Ca 0.00 -0.42 -0.02 0.00 -0.47 0.00 0.00 61.79 60.89 3fa3 h SER 284 Cb 0.47 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3fa3 h SER 284 CO 0.00 1.17 -0.11 0.24 -0.87 0.00 0.00 176.83 177.26 3fa3 h MET 285 N 0.44 0.00 -0.38 4.77 2.86 -1.34 0.95 114.93 122.23 3fa3 h MET 285 Ca -0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3fa3 h MET 285 Cb 1.23 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 3fa3 h MET 285 CO 0.12 0.11 0.19 -0.22 1.06 0.00 0.00 176.91 178.17 3fa3 h LYS 286 N 0.00 0.55 -0.03 1.72 3.64 -0.68 -0.59 116.57 121.18 3fa3 h LYS 286 Ca -0.00 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3fa3 h LYS 286 Cb 0.28 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 3fa3 h LYS 286 CO 0.01 0.48 -0.38 0.28 -2.27 0.00 0.00 179.45 177.58 3fa3 h VAL 287 N 0.48 0.21 -0.01 2.00 2.07 -0.95 -1.56 116.25 118.49 3fa3 h VAL 287 Ca 0.13 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.67 3fa3 h VAL 287 Cb 0.11 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 3fa3 h VAL 287 CO -0.02 0.00 -0.45 -0.78 0.02 0.00 0.00 177.57 176.34 3fa3 h ASP 288 N -0.51 -1.40 -0.53 0.57 1.82 -0.79 0.18 116.42 115.76 3fa3 h ASP 288 Ca 0.06 0.16 0.03 0.00 -0.39 0.00 0.00 57.03 56.89 3fa3 h ASP 288 Cb 0.61 0.53 -0.03 0.00 0.68 0.00 0.00 39.33 41.12 3fa3 h ASP 288 CO -0.32 -0.44 0.35 0.00 -1.61 0.00 0.00 179.24 177.23 3fa3 h ALA 289 N -0.59 1.75 -0.04 -0.78 0.00 -1.01 -2.00 119.26 116.58 3fa3 h ALA 289 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3fa3 h ALA 289 Cb 0.61 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3fa3 h ALA 289 CO -0.31 0.19 -0.00 1.96 0.00 0.00 0.00 179.25 181.10 3fa3 h GLN 290 N 0.60 0.08 -0.80 0.00 4.20 -1.18 0.32 115.11 118.33 3fa3 h GLN 290 Ca 0.21 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.96 3fa3 h GLN 290 Cb 0.11 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 3fa3 h GLN 290 CO -0.06 0.37 0.49 0.00 -0.67 0.00 0.00 178.83 178.96 3fa3 h ALA 291 N 0.70 1.09 0.00 3.87 0.00 -0.30 -1.93 119.26 122.70 3fa3 h ALA 291 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fa3 h ALA 291 Cb 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3fa3 h ALA 291 CO 0.00 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.87 3fa3 n GLY 292 N -1.32 -1.35 0.73 0.00 0.00 -0.81 -4.83 105.19 97.61 3fa3 n GLY 292 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3fa3 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 293 N 0.17 0.69 1.74 -0.02 0.00 -0.72 -4.97 105.19 102.08 3fa3 n GLY 293 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 3fa3 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 n ALA 294 N -1.20 4.38 -1.00 4.61 0.00 0.11 -4.76 120.51 122.65 3fa3 n ALA 294 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 51.70 3fa3 n ALA 294 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.47 0.00 0.00 0.00 0.00 -1.12 -4.72 120.51 114.21 3fa3 n ALA 295 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3fa3 n ALA 295 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.64 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 0.00 0.00 0.37 0.00 3.01 -1.26 -4.80 117.46 114.79 3fa3 n PHE 296 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.59 3fa3 n PHE 296 Cb 0.00 -0.32 0.29 0.00 -0.01 0.00 0.00 39.48 39.44 3fa3 n PHE 296 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 3fa3 h ASP 297 N 0.00 0.00 0.00 4.37 2.03 -1.99 -3.48 116.42 117.35 3fa3 h ASP 297 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3fa3 h ASP 297 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3fa3 h ASP 297 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 3fa3 n GLY 298 N 1.08 0.41 2.03 7.15 0.00 -1.26 -2.14 105.19 112.46 3fa3 n GLY 298 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.62 0.42 4.00 -0.02 0.00 -1.26 -5.08 105.19 101.63 3fa3 n GLY 299 Ca 0.00 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 3fa3 n GLY 299 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa3 s VAL 300 N -2.04 2.17 0.00 1.61 1.01 -0.91 -5.29 120.40 116.95 3fa3 s VAL 300 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3fa3 s VAL 300 Cb 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.86 3fa3 s VAL 300 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 175.10 174.20