#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa4 s MET 3 N 0.00 4.40 0.06 -0.52 -1.94 -1.26 -5.02 119.30 115.03 3fa4 s MET 3 Ca 0.00 2.08 0.09 0.00 -1.71 0.00 0.00 55.69 56.15 3fa4 s MET 3 Cb 0.00 -3.17 -0.03 0.00 2.01 0.00 0.00 34.83 33.64 3fa4 s MET 3 CO 0.00 -0.21 -0.25 0.08 -0.01 0.00 0.00 175.02 174.63 3fa4 s VAL 4 N -0.24 2.04 0.13 -6.03 1.01 -1.26 -5.16 120.40 110.89 3fa4 s VAL 4 Ca 0.54 -1.43 0.07 0.00 0.00 0.00 0.00 61.98 61.16 3fa4 s VAL 4 Cb -0.37 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3fa4 s VAL 4 CO 0.42 0.25 -0.07 0.28 0.00 0.00 0.00 175.10 175.98 3fa4 s THR 5 N -0.87 3.47 0.08 3.92 -1.32 -1.26 -5.01 115.64 114.65 3fa4 s THR 5 Ca 0.11 -1.32 0.29 0.00 -1.21 0.00 0.00 61.69 59.56 3fa4 s THR 5 Cb -0.10 -2.67 0.29 0.00 -1.51 0.00 0.00 72.50 68.52 3fa4 s THR 5 CO 0.03 0.04 1.90 0.00 -2.21 0.00 0.00 174.62 174.38 3fa4 h ALA 6 N 3.32 1.00 -0.89 11.08 0.00 -1.78 -2.94 119.26 129.05 3fa4 h ALA 6 Ca -0.48 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.48 3fa4 h ALA 6 Cb 1.18 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 3fa4 h ALA 6 CO 0.54 0.00 0.57 0.00 0.00 0.00 0.00 179.25 180.36 3fa4 h ALA 7 N 2.00 1.20 -0.76 0.00 0.00 -1.80 -1.16 119.26 118.74 3fa4 h ALA 7 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3fa4 h ALA 7 Cb 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3fa4 h ALA 7 CO 0.00 0.38 0.40 1.15 0.00 0.00 0.00 179.25 181.18 3fa4 h THR 8 N 1.07 1.23 0.00 0.00 2.02 -1.77 -0.69 112.91 114.78 3fa4 h THR 8 Ca 0.37 -0.61 -0.14 0.00 0.77 0.00 0.00 66.41 66.80 3fa4 h THR 8 Cb 0.08 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 3fa4 h THR 8 CO -0.14 0.27 -0.85 0.77 0.37 0.00 0.00 175.52 175.93 3fa4 h SER 9 N 1.06 0.00 -0.17 4.18 4.64 -1.64 -2.79 113.55 118.82 3fa4 h SER 9 Ca 0.27 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.51 3fa4 h SER 9 Cb 0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3fa4 h SER 9 CO -0.04 0.57 -0.21 0.25 -0.87 0.00 0.00 176.83 176.53 3fa4 h LEU 10 N 0.00 0.49 -0.53 5.97 5.85 -0.92 -1.36 115.31 124.81 3fa4 h LEU 10 Ca -0.06 -0.50 0.08 0.00 0.84 0.00 0.00 57.88 58.24 3fa4 h LEU 10 Cb 1.49 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.31 3fa4 h LEU 10 CO 0.06 0.89 0.17 -0.09 -0.34 0.00 0.00 178.44 179.13 3fa4 h ARG 11 N 0.09 0.33 -0.57 1.25 2.43 -1.09 0.23 114.38 117.05 3fa4 h ARG 11 Ca 0.02 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 3fa4 h ARG 11 Cb 0.77 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3fa4 h ARG 11 CO 0.05 0.22 -0.04 0.00 -1.51 0.00 0.00 179.97 178.69 3fa4 h ARG 12 N 0.34 1.03 -0.78 0.20 3.08 -1.50 -1.79 114.38 114.95 3fa4 h ARG 12 Ca 0.26 -0.34 0.12 0.00 0.07 0.00 0.00 59.98 60.10 3fa4 h ARG 12 Cb 0.32 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.19 3fa4 h ARG 12 CO -0.29 1.03 0.38 0.00 -1.07 0.00 0.00 179.97 180.02 3fa4 h ALA 13 N 1.01 1.13 0.00 0.04 0.00 -0.09 -3.01 119.26 118.34 3fa4 h ALA 13 Ca 0.16 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3fa4 h ALA 13 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3fa4 h ALA 13 CO 0.04 -0.09 0.00 -0.07 0.00 0.00 0.00 179.25 179.13 3fa4 h LEU 14 N 0.59 0.00 0.00 0.00 3.38 0.29 -0.96 115.31 118.60 3fa4 h LEU 14 Ca 0.41 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.34 3fa4 h LEU 14 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3fa4 h LEU 14 CO -0.33 0.00 -0.35 -0.33 0.09 0.00 0.00 178.44 177.52 3fa4 h GLU 15 N 0.00 0.00 -6.21 1.13 5.08 -1.36 -3.43 114.58 109.79 3fa4 h GLU 15 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3fa4 h GLU 15 Cb 0.60 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.75 3fa4 h GLU 15 CO 0.00 0.17 0.74 1.21 -1.00 0.00 0.00 179.01 180.13 3fa4 s ASN 16 N -6.16 6.41 0.07 1.42 3.84 -0.37 -4.94 114.94 115.22 3fa4 s ASN 16 Ca 0.05 -0.08 0.05 0.00 0.21 0.00 0.00 52.86 53.08 3fa4 s ASN 16 Cb 0.06 -2.49 0.26 0.00 -0.55 0.00 0.00 41.25 38.54 3fa4 s ASN 16 CO 0.71 -1.31 1.13 -0.81 -2.79 0.00 0.00 177.10 174.04 3fa4 n PRO 17 N 7.82 0.03 0.00 0.43 -0.04 -1.26 -1.87 135.00 140.11 3fa4 n PRO 17 Ca 0.05 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 3fa4 n PRO 17 Cb 0.48 -1.61 0.14 0.00 -0.04 0.00 0.00 33.50 32.47 3fa4 n PRO 17 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3fa4 n ASP 18 N -1.66 1.97 -4.64 3.54 8.00 -1.26 -4.82 116.55 117.67 3fa4 n ASP 18 Ca -0.00 -1.48 -0.39 0.00 0.71 0.00 0.00 54.79 53.62 3fa4 n ASP 18 Cb 0.02 0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 41.33 3fa4 n ASP 18 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3fa4 s SER 19 N -2.35 6.51 -0.16 -2.24 0.01 -0.78 -5.07 113.70 109.62 3fa4 s SER 19 Ca 0.23 0.61 0.02 0.00 1.31 0.00 0.00 55.95 58.12 3fa4 s SER 19 Cb 0.19 -2.29 0.02 0.00 0.21 0.00 0.00 66.02 64.15 3fa4 s SER 19 CO 0.49 -0.22 -0.20 0.12 0.41 0.00 0.00 173.24 173.83 3fa4 s PHE 20 N 1.90 2.68 -0.19 2.43 5.36 -1.26 -4.88 117.98 124.02 3fa4 s PHE 20 Ca 0.23 -1.48 -0.16 0.00 -0.96 0.00 0.00 56.93 54.56 3fa4 s PHE 20 Cb -0.15 -1.84 -0.04 0.00 -0.34 0.00 0.00 43.02 40.64 3fa4 s PHE 20 CO 0.09 -0.71 0.41 0.42 -1.46 0.00 0.00 175.22 173.98 3fa4 s ILE 21 N 1.08 5.20 -0.32 3.12 1.09 -0.27 -5.02 121.20 126.09 3fa4 s ILE 21 Ca -0.01 0.76 -0.01 0.00 -1.10 0.00 0.00 60.65 60.29 3fa4 s ILE 21 Cb -0.14 -3.75 0.07 0.00 -1.06 0.00 0.00 42.46 37.58 3fa4 s ILE 21 CO -0.08 0.27 0.02 -0.69 -0.10 0.00 0.00 174.94 174.36 3fa4 s VAL 22 N 1.18 2.85 -0.30 2.92 1.01 -1.26 -1.74 120.40 125.07 3fa4 s VAL 22 Ca 0.20 -1.62 0.03 0.00 0.00 0.00 0.00 61.98 60.60 3fa4 s VAL 22 Cb -0.15 -2.74 0.08 0.00 0.00 0.00 0.00 36.38 33.57 3fa4 s VAL 22 CO 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 175.10 174.92 3fa4 s ALA 23 N 1.18 2.65 0.50 5.51 0.00 0.34 -4.07 121.76 127.87 3fa4 s ALA 23 Ca -0.02 -2.10 -0.22 0.00 0.00 0.00 0.00 51.96 49.61 3fa4 s ALA 23 Cb -0.20 -1.76 -0.06 0.00 0.00 0.00 0.00 23.12 21.10 3fa4 s ALA 23 CO -0.03 -1.45 1.28 -1.25 0.00 0.00 0.00 175.76 174.32 3fa4 s PRO 24 N 1.04 3.44 -0.14 0.00 0.04 -1.26 -2.09 135.00 136.03 3fa4 s PRO 24 Ca 0.01 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 62.83 3fa4 s PRO 24 Cb -0.19 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 3fa4 s PRO 24 CO -0.07 -0.89 0.92 0.20 0.04 0.00 0.00 177.00 177.20 3fa4 s GLY 25 N -1.10 2.19 0.23 0.56 0.00 -0.80 -1.30 107.32 107.10 3fa4 s GLY 25 Ca 0.67 0.19 0.09 0.00 0.00 0.00 0.00 44.72 45.68 3fa4 s GLY 25 CO 0.43 1.80 -0.16 -1.34 0.00 0.00 0.00 173.10 173.83 3fa4 s VAL 26 N 2.14 1.98 0.00 1.40 -7.23 0.24 -3.68 120.40 115.24 3fa4 s VAL 26 Ca 0.43 -2.28 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 3fa4 s VAL 26 Cb -0.17 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.64 3fa4 s VAL 26 CO 0.14 -0.53 0.00 0.00 -0.31 0.00 0.00 175.10 174.40 3fa4 n TYR 27 N -0.46 0.00 -3.61 2.82 4.11 -1.26 -2.15 117.16 116.61 3fa4 n TYR 27 Ca -0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.76 3fa4 n TYR 27 Cb 0.60 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.96 3fa4 n TYR 27 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 3fa4 n ASP 28 N 0.00 -1.46 -0.26 9.48 5.75 -1.26 -4.35 116.55 124.45 3fa4 n ASP 28 Ca 0.00 -2.13 0.01 0.00 -0.01 0.00 0.00 54.79 52.65 3fa4 n ASP 28 Cb 0.05 2.47 0.22 0.00 -1.03 0.00 0.00 41.12 42.83 3fa4 n ASP 28 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3fa4 h GLY 29 N 1.36 1.16 0.54 6.12 0.00 -1.95 -2.33 103.07 107.97 3fa4 h GLY 29 Ca -0.22 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 3fa4 h GLY 29 CO 0.29 0.40 -0.13 1.41 0.00 0.00 0.00 176.54 178.51 3fa4 h LEU 30 N 1.09 -0.30 -0.81 3.11 3.38 -1.98 -2.06 115.31 117.74 3fa4 h LEU 30 Ca 0.31 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 58.13 3fa4 h LEU 30 Cb -0.08 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 3fa4 h LEU 30 CO -0.08 0.14 0.47 0.77 0.09 0.00 0.00 178.44 179.84 3fa4 h SER 31 N -0.82 0.69 -0.27 -0.43 4.64 -1.99 0.61 113.55 115.98 3fa4 h SER 31 Ca -0.04 0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.38 3fa4 h SER 31 Cb 0.51 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.46 3fa4 h SER 31 CO 0.06 0.41 -0.05 0.00 -0.87 0.00 0.00 176.83 176.38 3fa4 h ALA 32 N 1.43 0.20 -0.42 5.18 0.00 -1.40 -1.75 119.26 122.49 3fa4 h ALA 32 Ca 0.38 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 55.24 3fa4 h ALA 32 Cb 0.30 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3fa4 h ALA 32 CO -0.22 -0.46 -0.30 0.00 0.00 0.00 0.00 179.25 178.27 3fa4 h ARG 33 N 0.02 0.95 -0.28 0.00 2.47 -0.60 -2.17 114.38 114.78 3fa4 h ARG 33 Ca 0.13 -0.46 0.03 0.00 -1.26 0.00 0.00 59.98 58.42 3fa4 h ARG 33 Cb 0.19 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.48 3fa4 h ARG 33 CO -0.27 1.12 0.10 0.28 0.56 0.00 0.00 179.97 181.77 3fa4 h VAL 34 N 0.79 0.94 0.72 2.04 2.07 -0.91 -1.04 116.25 120.86 3fa4 h VAL 34 Ca 0.08 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 3fa4 h VAL 34 Cb 0.89 0.68 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3fa4 h VAL 34 CO 0.08 0.04 -0.35 0.00 0.02 0.00 0.00 177.57 177.37 3fa4 h ALA 35 N 1.17 -0.97 -0.98 1.67 0.00 -1.18 -2.29 119.26 116.67 3fa4 h ALA 35 Ca 0.12 -0.23 0.24 0.00 0.00 0.00 0.00 54.91 55.05 3fa4 h ALA 35 Cb 0.08 0.38 -0.18 0.00 0.00 0.00 0.00 17.79 18.06 3fa4 h ALA 35 CO -0.12 -0.97 -0.08 -0.07 0.00 0.00 0.00 179.25 178.01 3fa4 h LEU 36 N -1.12 -0.65 -1.76 0.00 4.07 -1.46 -0.81 115.31 113.58 3fa4 h LEU 36 Ca -0.10 0.28 -0.03 0.00 0.08 0.00 0.00 57.88 58.11 3fa4 h LEU 36 Cb 0.77 0.53 -0.00 0.00 1.08 0.00 0.00 40.66 43.04 3fa4 h LEU 36 CO 0.16 -0.34 -0.16 0.28 -1.08 0.00 0.00 178.44 177.30 3fa4 h SER 37 N 0.01 0.00 -0.00 -0.43 0.02 -1.07 -2.37 113.55 109.70 3fa4 h SER 37 Ca 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 3fa4 h SER 37 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3fa4 h SER 37 CO -0.95 0.16 0.00 0.00 -1.14 0.00 0.00 176.83 174.90 3fa4 n ALA 38 N -2.41 2.63 -0.31 3.77 0.00 -0.31 -4.92 120.51 118.96 3fa4 n ALA 38 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3fa4 n ALA 38 Cb 0.24 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3fa4 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 39 N 0.85 0.81 3.77 0.00 0.00 -0.89 -5.07 105.19 104.65 3fa4 n GLY 39 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3fa4 n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa4 s PHE 40 N -2.13 3.35 -0.87 1.61 0.40 -1.20 -4.93 117.98 114.21 3fa4 s PHE 40 Ca 0.00 1.64 0.09 0.00 -0.60 0.00 0.00 56.93 58.06 3fa4 s PHE 40 Cb 0.00 -3.29 0.22 0.00 0.51 0.00 0.00 43.02 40.45 3fa4 s PHE 40 CO 0.00 -0.82 1.12 -0.25 0.70 0.00 0.00 175.22 175.97 3fa4 n ASP 41 N 0.58 2.55 -3.75 1.36 8.00 -1.26 -4.65 116.55 119.37 3fa4 n ASP 41 Ca 0.02 -1.86 -0.10 0.00 0.71 0.00 0.00 54.79 53.56 3fa4 n ASP 41 Cb 0.46 -0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 3fa4 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa4 s ALA 42 N -0.95 -0.70 0.02 2.24 0.00 -1.26 -4.05 121.76 117.06 3fa4 s ALA 42 Ca 0.18 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.82 3fa4 s ALA 42 Cb 0.10 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 3fa4 s ALA 42 CO 0.13 -0.70 -0.04 -0.51 0.00 0.00 0.00 175.76 174.64 3fa4 s LEU 43 N -2.87 2.15 -0.20 0.00 1.43 0.33 -4.20 118.68 115.33 3fa4 s LEU 43 Ca 0.08 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 3fa4 s LEU 43 Cb 0.01 -0.08 0.01 0.00 0.03 0.00 0.00 46.19 46.16 3fa4 s LEU 43 CO -0.06 -0.14 -0.13 -0.47 0.23 0.00 0.00 176.35 175.78 3fa4 s TYR 44 N -0.89 2.87 -0.62 0.29 5.04 -0.42 -0.12 117.35 123.50 3fa4 s TYR 44 Ca -0.07 -1.39 -0.24 0.00 -2.44 0.00 0.00 57.07 52.92 3fa4 s TYR 44 Cb -0.06 -2.00 0.05 0.00 0.35 0.00 0.00 41.96 40.30 3fa4 s TYR 44 CO -0.00 -0.71 1.00 1.41 -1.34 0.00 0.00 175.55 175.91 3fa4 s MET 45 N 1.36 3.23 0.13 4.97 -2.45 0.86 0.79 119.30 128.18 3fa4 s MET 45 Ca 0.05 -0.48 -0.31 0.00 -1.25 0.00 0.00 55.69 53.70 3fa4 s MET 45 Cb -0.14 -4.14 -0.09 0.00 1.25 0.00 0.00 34.83 31.71 3fa4 s MET 45 CO -0.09 -1.71 1.55 -0.08 1.05 0.00 0.00 175.02 175.74 3fa4 s THR 46 N 4.25 2.89 0.22 10.11 -1.32 -0.91 -2.24 115.64 128.65 3fa4 s THR 46 Ca 0.28 0.57 0.13 0.00 -1.21 0.00 0.00 61.69 61.46 3fa4 s THR 46 Cb -0.14 -3.37 0.00 0.00 -1.51 0.00 0.00 72.50 67.49 3fa4 s THR 46 CO 0.15 0.03 1.61 1.23 -2.21 0.00 0.00 174.62 175.44 3fa4 h GLY 47 N 7.29 0.00 1.35 6.08 0.00 -1.91 -2.73 103.07 113.14 3fa4 h GLY 47 Ca -0.42 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 3fa4 h GLY 47 CO 0.91 0.00 -0.19 0.00 0.00 0.00 0.00 176.54 177.26 3fa4 h ALA 48 N 1.42 0.92 -0.08 3.60 0.00 -1.97 -2.32 119.26 120.84 3fa4 h ALA 48 Ca -0.01 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 3fa4 h ALA 48 Cb 1.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3fa4 h ALA 48 CO 0.08 0.62 -0.68 0.78 0.00 0.00 0.00 179.25 180.04 3fa4 h GLY 49 N 0.97 0.39 1.76 0.00 0.00 -1.89 -2.11 103.07 102.19 3fa4 h GLY 49 Ca 0.10 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 3fa4 h GLY 49 CO 0.05 0.47 -0.46 0.00 0.00 0.00 0.00 176.54 176.61 3fa4 h THR 50 N 0.25 1.33 -0.23 4.70 1.03 -1.47 -1.32 112.91 117.20 3fa4 h THR 50 Ca -0.02 -1.64 -0.08 0.00 -0.01 0.00 0.00 66.41 64.66 3fa4 h THR 50 Cb 1.24 1.76 -0.00 0.00 -1.07 0.00 0.00 68.15 70.07 3fa4 h THR 50 CO 0.11 0.49 -0.18 0.00 -0.01 0.00 0.00 175.52 175.94 3fa4 h ALA 51 N 1.31 0.33 -0.54 0.00 0.00 -1.29 0.78 119.26 119.85 3fa4 h ALA 51 Ca 0.01 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.66 3fa4 h ALA 51 Cb 0.90 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3fa4 h ALA 51 CO 0.07 0.24 0.19 0.00 0.00 0.00 0.00 179.25 179.76 3fa4 h ALA 52 N 0.69 0.67 0.00 0.00 0.00 -1.21 0.72 119.26 120.13 3fa4 h ALA 52 Ca 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3fa4 h ALA 52 Cb 0.71 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3fa4 h ALA 52 CO 0.05 -0.21 -0.03 1.03 0.00 0.00 0.00 179.25 180.08 3fa4 h SER 53 N 0.36 0.01 1.58 0.00 0.87 -1.21 0.46 113.55 115.63 3fa4 h SER 53 Ca 0.27 -0.99 -0.09 0.00 -1.23 0.00 0.00 61.79 59.75 3fa4 h SER 53 Cb 0.31 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3fa4 h SER 53 CO -0.28 1.01 -0.41 -0.37 -0.53 0.00 0.00 176.83 176.25 3fa4 h VAL 54 N -0.98 0.71 0.00 2.23 -1.51 -0.93 -3.37 116.25 112.40 3fa4 h VAL 54 Ca -0.01 -2.00 0.00 0.00 -1.23 0.00 0.00 66.70 63.46 3fa4 h VAL 54 Cb 1.02 2.35 0.00 0.00 -2.13 0.00 0.00 31.29 32.53 3fa4 h VAL 54 CO 0.00 0.41 -0.36 1.41 -1.23 0.00 0.00 177.57 177.79 3fa4 n HIS 55 N -3.21 0.00 -3.37 5.19 8.25 -0.50 -5.02 115.22 116.56 3fa4 n HIS 55 Ca 0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.29 3fa4 n HIS 55 Cb 0.70 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.88 3fa4 n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa4 n GLY 56 N 1.54 -0.29 3.27 -1.41 0.00 0.16 -4.94 105.19 103.52 3fa4 n GLY 56 Ca 0.00 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 3fa4 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fa4 s GLN 57 N -5.91 1.23 0.95 1.61 2.00 -1.09 -4.94 119.66 113.51 3fa4 s GLN 57 Ca 0.39 -1.62 -0.14 0.00 -2.00 0.00 0.00 55.36 51.99 3fa4 s GLN 57 Cb -0.17 -0.25 0.16 0.00 0.80 0.00 0.00 33.01 33.55 3fa4 s GLN 57 CO 0.61 -0.20 1.19 0.00 -0.50 0.00 0.00 175.29 176.39 3fa4 s ALA 58 N -3.71 1.88 -1.20 1.58 0.00 -1.26 -2.80 121.76 116.25 3fa4 s ALA 58 Ca 0.30 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 51.32 3fa4 s ALA 58 Cb 0.07 -2.93 0.13 0.00 0.00 0.00 0.00 23.12 20.38 3fa4 s ALA 58 CO 0.08 -2.40 1.51 0.34 0.00 0.00 0.00 175.76 175.29 3fa4 s ASP 59 N -4.33 6.93 -0.03 0.00 3.68 -1.26 -4.62 116.67 117.04 3fa4 s ASP 59 Ca 0.67 -2.66 0.05 0.00 2.13 0.00 0.00 52.55 52.73 3fa4 s ASP 59 Cb -0.11 -2.47 0.07 0.00 -1.45 0.00 0.00 42.92 38.97 3fa4 s ASP 59 CO 0.53 -0.95 0.90 0.18 0.13 0.00 0.00 175.17 175.97 3fa4 n LEU 60 N 6.77 1.02 0.00 -1.34 4.77 -1.26 -4.98 117.00 121.98 3fa4 n LEU 60 Ca 0.39 -1.47 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 3fa4 n LEU 60 Cb 0.45 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3fa4 n LEU 60 CO 0.66 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 3fa4 n GLY 61 N -0.46 0.93 0.91 -0.72 0.00 -1.26 -5.01 105.19 99.57 3fa4 n GLY 61 Ca 0.04 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.59 3fa4 n GLY 61 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3fa4 n ILE 62 N -2.83 0.10 -3.42 -0.61 -0.00 -1.26 -4.90 119.36 106.44 3fa4 n ILE 62 Ca 0.00 -0.55 -0.37 0.00 -0.00 0.00 0.00 62.75 61.83 3fa4 n ILE 62 Cb 0.26 1.35 -0.06 0.00 -0.00 0.00 0.00 39.64 41.19 3fa4 n ILE 62 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3fa4 s THR 64 N 0.54 2.31 0.30 0.00 -4.23 -1.26 -4.89 115.64 108.41 3fa4 s THR 64 Ca 0.21 -0.46 0.02 0.00 -1.18 0.00 0.00 61.69 60.29 3fa4 s THR 64 Cb -0.14 -2.86 0.29 0.00 1.34 0.00 0.00 72.50 71.13 3fa4 s THR 64 CO 0.07 0.00 1.87 0.25 -0.54 0.00 0.00 174.62 176.27 3fa4 h LEU 65 N -0.49 0.89 -0.61 4.79 5.85 -1.98 -2.58 115.31 121.18 3fa4 h LEU 65 Ca -0.41 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.43 3fa4 h LEU 65 Cb 1.29 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 3fa4 h LEU 65 CO 0.50 0.51 0.25 0.78 -0.34 0.00 0.00 178.44 180.14 3fa4 h ASN 66 N 0.98 0.27 0.06 1.25 4.21 -1.98 0.25 115.58 120.62 3fa4 h ASN 66 Ca 0.45 0.07 -0.00 0.00 1.21 0.00 0.00 56.30 58.03 3fa4 h ASN 66 Cb 0.41 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 3fa4 h ASN 66 CO -0.21 0.16 -0.03 0.44 -1.29 0.00 0.00 177.43 176.50 3fa4 h ASP 67 N 0.44 -0.07 -0.29 5.81 3.32 -1.84 -2.28 116.42 121.51 3fa4 h ASP 67 Ca 0.31 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 3fa4 h ASP 67 Cb 0.36 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3fa4 h ASP 67 CO -0.29 0.43 0.11 0.24 -1.72 0.00 0.00 179.24 178.01 3fa4 h MET 68 N -0.59 0.44 -0.58 3.56 2.86 -1.46 -2.61 114.93 116.54 3fa4 h MET 68 Ca -0.01 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 3fa4 h MET 68 Cb 0.51 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3fa4 h MET 68 CO 0.01 0.47 -0.01 -0.09 1.06 0.00 0.00 176.91 178.35 3fa4 h ARG 69 N 0.32 1.02 -0.42 1.72 1.12 -1.03 -0.92 114.38 116.19 3fa4 h ARG 69 Ca 0.10 -0.32 -0.06 0.00 -1.11 0.00 0.00 59.98 58.58 3fa4 h ARG 69 Cb 0.20 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.05 3fa4 h ARG 69 CO -0.01 1.01 0.02 0.00 -3.11 0.00 0.00 179.97 177.88 3fa4 h ALA 70 N 1.04 0.56 -0.43 2.80 0.00 -1.36 -0.54 119.26 121.32 3fa4 h ALA 70 Ca 0.16 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3fa4 h ALA 70 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3fa4 h ALA 70 CO 0.03 0.33 -0.09 -0.97 0.00 0.00 0.00 179.25 178.55 3fa4 h ASN 71 N 0.57 0.83 -0.28 0.00 -1.24 -1.37 -2.68 115.58 111.41 3fa4 h ASN 71 Ca 0.12 -0.36 -0.10 0.00 0.71 0.00 0.00 56.30 56.68 3fa4 h ASN 71 Cb 0.45 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.26 3fa4 h ASN 71 CO 0.02 0.99 -0.16 0.00 -1.29 0.00 0.00 177.43 176.99 3fa4 h ALA 72 N 0.86 0.98 -0.85 1.57 0.00 -1.13 -2.25 119.26 118.45 3fa4 h ALA 72 Ca 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3fa4 h ALA 72 Cb 0.62 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3fa4 h ALA 72 CO 0.04 0.60 0.51 1.49 0.00 0.00 0.00 179.25 181.89 3fa4 h GLU 73 N 0.65 1.15 0.17 0.00 4.81 -0.95 -1.07 114.58 119.33 3fa4 h GLU 73 Ca 0.10 -0.10 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 3fa4 h GLU 73 Cb 0.64 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.79 3fa4 h GLU 73 CO 0.05 0.80 -1.42 0.00 -0.73 0.00 0.00 179.01 177.71 3fa4 h MET 74 N 1.17 0.35 -0.75 1.92 -0.00 -1.36 -2.99 114.93 113.26 3fa4 h MET 74 Ca 0.30 -0.60 0.08 0.00 -0.00 0.00 0.00 59.70 59.48 3fa4 h MET 74 Cb -0.05 0.23 -0.06 0.00 -0.00 0.00 0.00 31.60 31.71 3fa4 h MET 74 CO -0.06 1.27 0.42 0.82 -0.00 0.00 0.00 176.91 179.36 3fa4 h ILE 75 N 0.10 0.94 -0.05 -0.10 2.04 -1.43 -2.98 117.51 116.02 3fa4 h ILE 75 Ca -0.21 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 3fa4 h ILE 75 Cb 2.05 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3fa4 h ILE 75 CO 0.21 0.14 -0.23 0.28 0.00 0.00 0.00 178.15 178.55 3fa4 h SER 76 N 0.74 0.07 -0.50 1.72 0.02 -1.22 -3.07 113.55 111.32 3fa4 h SER 76 Ca 0.35 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3fa4 h SER 76 Cb 0.28 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3fa4 h SER 76 CO -0.22 0.31 0.00 0.59 -1.14 0.00 0.00 176.83 176.37 3fa4 n ASN 77 N -4.23 3.51 0.23 3.07 3.02 -1.13 -3.50 115.26 116.22 3fa4 n ASN 77 Ca -0.02 -1.97 -0.14 0.00 -0.03 0.00 0.00 54.58 52.42 3fa4 n ASN 77 Cb 0.31 -0.33 -0.08 0.00 -0.61 0.00 0.00 39.78 39.07 3fa4 n ASN 77 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3fa4 h ILE 78 N 3.95 0.49 -3.31 2.41 2.04 -1.42 -3.39 117.51 118.29 3fa4 h ILE 78 Ca 0.00 -0.43 -0.63 0.00 1.00 0.00 0.00 64.86 64.80 3fa4 h ILE 78 Cb 0.93 0.67 -0.40 0.00 -0.74 0.00 0.00 36.82 37.27 3fa4 h ILE 78 CO 0.00 0.07 -0.70 -0.55 0.00 0.00 0.00 178.15 176.97 3fa4 s SER 79 N -4.85 4.18 0.50 1.72 0.15 -1.26 -5.01 113.70 109.13 3fa4 s SER 79 Ca -0.15 -2.52 0.34 0.00 0.70 0.00 0.00 55.95 54.32 3fa4 s SER 79 Cb 0.02 -1.36 1.66 0.00 -1.71 0.00 0.00 66.02 64.63 3fa4 s SER 79 CO 0.53 -0.30 2.02 -0.65 1.20 0.00 0.00 173.24 176.03 3fa4 h PRO 80 N 7.03 0.00 -0.00 5.44 0.11 -1.77 -1.51 132.00 141.30 3fa4 h PRO 80 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3fa4 h PRO 80 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3fa4 h PRO 80 CO 0.56 0.00 -0.18 -1.13 -0.21 0.00 0.00 178.00 177.04 3fa4 n SER 81 N -2.77 0.44 -4.64 -2.05 3.41 -1.26 -3.81 113.62 102.94 3fa4 n SER 81 Ca -0.01 -0.35 -0.41 0.00 -0.26 0.00 0.00 58.87 57.85 3fa4 n SER 81 Cb 0.15 -0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 3fa4 n SER 81 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3fa4 s THR 82 N -2.68 4.97 -0.10 6.66 2.01 -0.57 -4.84 115.64 121.09 3fa4 s THR 82 Ca 0.22 1.21 -0.36 0.00 0.31 0.00 0.00 61.69 63.07 3fa4 s THR 82 Cb 0.19 -3.96 -0.14 0.00 0.01 0.00 0.00 72.50 68.60 3fa4 s THR 82 CO 0.53 0.03 1.75 -2.65 -0.69 0.00 0.00 174.62 173.60 3fa4 n PRO 83 N 5.58 1.74 -4.11 4.92 -0.02 -1.26 -4.88 135.00 136.97 3fa4 n PRO 83 Ca 0.00 0.63 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 3fa4 n PRO 83 Cb 0.49 -2.40 -0.14 0.00 -0.02 0.00 0.00 33.50 31.43 3fa4 n PRO 83 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fa4 s VAL 84 N 3.17 3.45 -0.34 -1.45 1.01 -1.26 -0.51 120.40 124.47 3fa4 s VAL 84 Ca 0.92 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 62.25 3fa4 s VAL 84 Cb -0.84 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 3fa4 s VAL 84 CO 0.54 0.44 0.48 -0.63 0.00 0.00 0.00 175.10 175.93 3fa4 s ILE 85 N 1.14 5.06 -0.10 2.22 1.01 0.82 -1.31 121.20 130.05 3fa4 s ILE 85 Ca 0.02 0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.99 3fa4 s ILE 85 Cb -0.15 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 3fa4 s ILE 85 CO -0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 174.94 174.69 3fa4 s ALA 86 N 2.30 2.89 0.54 9.38 0.00 0.27 -0.10 121.76 137.05 3fa4 s ALA 86 Ca 0.17 -0.88 -0.21 0.00 0.00 0.00 0.00 51.96 51.04 3fa4 s ALA 86 Cb -0.16 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 3fa4 s ALA 86 CO 0.13 0.44 1.29 0.34 0.00 0.00 0.00 175.76 177.95 3fa4 s ASP 87 N -0.35 5.41 0.00 0.00 -1.08 -0.95 -2.71 116.67 116.99 3fa4 s ASP 87 Ca 0.05 2.60 0.00 0.00 -0.52 0.00 0.00 52.55 54.67 3fa4 s ASP 87 Cb -0.12 -2.62 0.00 0.00 -1.46 0.00 0.00 42.92 38.71 3fa4 s ASP 87 CO 0.02 -1.46 0.77 0.00 0.52 0.00 0.00 175.17 175.03 3fa4 n ALA 88 N -1.05 1.70 -0.97 3.66 0.00 -1.14 -4.83 120.51 117.87 3fa4 n ALA 88 Ca 0.11 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3fa4 n ALA 88 Cb 0.47 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3fa4 n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fa4 n ASP 89 N 0.00 0.00 -1.34 0.00 8.00 -1.25 -0.26 116.55 121.70 3fa4 n ASP 89 Ca 0.00 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.58 3fa4 n ASP 89 Cb 0.62 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 42.04 3fa4 n ASP 89 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3fa4 n THR 90 N 0.00 2.48 -1.00 -3.53 -2.24 -1.26 -2.60 114.28 106.13 3fa4 n THR 90 Ca 0.00 -1.66 -0.00 0.00 -2.27 0.00 0.00 64.05 60.12 3fa4 n THR 90 Cb 0.00 -0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 67.98 3fa4 n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fa4 n GLY 91 N 0.03 0.46 2.34 3.38 0.00 0.64 -4.36 105.19 107.67 3fa4 n GLY 91 Ca 0.24 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 3fa4 n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fa4 n TYR 92 N -2.92 -0.47 0.00 1.61 4.02 -1.26 -2.96 117.16 115.18 3fa4 n TYR 92 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3fa4 n TYR 92 Cb 0.04 -3.00 0.00 0.00 -0.02 0.00 0.00 39.34 36.36 3fa4 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fa4 n GLY 93 N -1.05 0.29 1.54 2.72 0.00 -1.26 -4.85 105.19 102.58 3fa4 n GLY 93 Ca -0.17 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 3fa4 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa4 n GLY 94 N 0.00 -3.17 0.36 -0.02 0.00 -1.26 -4.62 105.19 96.48 3fa4 n GLY 94 Ca 0.00 -1.37 0.07 0.00 0.00 0.00 0.00 46.02 44.72 3fa4 n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fa4 h PRO 95 N 0.00 0.84 -0.80 1.61 0.11 -1.95 -1.62 132.00 130.20 3fa4 h PRO 95 Ca -0.18 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.97 3fa4 h PRO 95 Cb 0.59 -0.19 -0.07 0.00 0.11 0.00 0.00 31.00 31.44 3fa4 h PRO 95 CO 0.12 0.56 0.44 0.82 -0.21 0.00 0.00 178.00 179.73 3fa4 h ILE 96 N 0.86 0.90 0.00 4.15 1.08 -1.98 -1.77 117.51 120.75 3fa4 h ILE 96 Ca 0.41 -0.26 -0.19 0.00 -0.39 0.00 0.00 64.86 64.43 3fa4 h ILE 96 Cb 0.41 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 3fa4 h ILE 96 CO -0.17 0.14 -0.92 0.24 -0.69 0.00 0.00 178.15 176.74 3fa4 h MET 97 N 0.75 0.00 -0.09 2.37 2.86 -1.76 -2.64 114.93 116.41 3fa4 h MET 97 Ca 0.38 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.90 3fa4 h MET 97 Cb 0.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 3fa4 h MET 97 CO -0.25 0.89 -0.50 0.28 1.06 0.00 0.00 176.91 178.38 3fa4 h VAL 98 N 0.00 1.35 -0.13 -2.22 2.07 -1.19 -0.37 116.25 115.75 3fa4 h VAL 98 Ca -0.02 -1.74 -0.06 0.00 0.82 0.00 0.00 66.70 65.70 3fa4 h VAL 98 Cb 1.70 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 33.30 3fa4 h VAL 98 CO 0.12 0.52 -0.14 0.00 0.02 0.00 0.00 177.57 178.09 3fa4 h ALA 99 N 1.28 0.20 -0.11 1.67 0.00 -1.33 0.12 119.26 121.09 3fa4 h ALA 99 Ca 0.01 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 3fa4 h ALA 99 Cb 0.96 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3fa4 h ALA 99 CO 0.08 0.07 -0.31 0.07 0.00 0.00 0.00 179.25 179.16 3fa4 h ARG 100 N -0.05 0.20 -0.32 0.00 0.11 -1.47 -1.63 114.38 111.22 3fa4 h ARG 100 Ca 0.02 -0.07 -0.02 0.00 0.10 0.00 0.00 59.98 60.01 3fa4 h ARG 100 Cb 0.67 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.72 3fa4 h ARG 100 CO 0.03 0.49 0.13 1.15 0.10 0.00 0.00 179.97 181.88 3fa4 h THR 101 N 0.18 1.18 -0.71 0.08 2.02 -0.94 -2.05 112.91 112.67 3fa4 h THR 101 Ca 0.02 -0.53 0.06 0.00 0.77 0.00 0.00 66.41 66.73 3fa4 h THR 101 Cb 0.64 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 67.93 3fa4 h THR 101 CO 0.05 0.19 0.40 0.74 0.37 0.00 0.00 175.52 177.27 3fa4 h THR 102 N 0.36 0.98 -0.05 3.16 2.02 -0.64 -0.90 112.91 117.84 3fa4 h THR 102 Ca 0.11 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 3fa4 h THR 102 Cb 0.17 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3fa4 h THR 102 CO -0.01 0.14 -0.23 -0.33 0.37 0.00 0.00 175.52 175.45 3fa4 h GLU 103 N 0.74 0.24 -0.06 6.66 5.08 -1.16 0.76 114.58 126.84 3fa4 h GLU 103 Ca 0.32 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3fa4 h GLU 103 Cb 0.19 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3fa4 h GLU 103 CO -0.18 0.85 0.03 1.96 -1.00 0.00 0.00 179.01 180.66 3fa4 h GLN 104 N -0.31 0.08 -0.98 2.33 4.20 -1.33 0.19 115.11 119.29 3fa4 h GLN 104 Ca -0.02 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.73 3fa4 h GLN 104 Cb 0.90 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.60 3fa4 h GLN 104 CO 0.05 0.18 0.64 1.88 -0.67 0.00 0.00 178.83 180.91 3fa4 h TYR 105 N -0.04 1.18 0.81 2.96 -1.99 -1.20 -1.36 116.97 117.34 3fa4 h TYR 105 Ca 0.02 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.74 3fa4 h TYR 105 Cb 0.13 -0.39 0.01 0.00 2.00 0.00 0.00 36.73 38.48 3fa4 h TYR 105 CO -0.03 0.64 -0.39 0.77 -0.00 0.00 0.00 178.16 179.15 3fa4 h SER 106 N 1.19 -0.93 -0.98 3.88 0.02 -0.01 -2.42 113.55 114.30 3fa4 h SER 106 Ca 0.41 0.03 0.25 0.00 -0.84 0.00 0.00 61.79 61.64 3fa4 h SER 106 Cb 0.10 0.24 -0.13 0.00 0.14 0.00 0.00 62.40 62.75 3fa4 h SER 106 CO -0.15 -0.66 0.56 0.03 -1.14 0.00 0.00 176.83 175.47 3fa4 h ARG 107 N -1.10 0.50 0.00 3.45 3.08 -0.65 -2.25 114.38 117.42 3fa4 h ARG 107 Ca -0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3fa4 h ARG 107 Cb 0.84 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3fa4 h ARG 107 CO 0.18 0.33 0.00 0.77 -1.07 0.00 0.00 179.97 180.19 3fa4 h SER 108 N 0.52 0.00 0.00 7.04 0.02 -1.19 -3.47 113.55 116.47 3fa4 h SER 108 Ca 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 3fa4 h SER 108 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3fa4 h SER 108 CO -0.50 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 175.80 3fa4 n GLY 109 N -0.67 1.00 3.75 -3.77 0.00 -0.84 -4.61 105.19 100.05 3fa4 n GLY 109 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3fa4 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa4 s VAL 110 N -2.00 2.87 0.02 1.61 1.01 -0.92 -4.44 120.40 118.55 3fa4 s VAL 110 Ca 0.00 0.77 0.10 0.00 0.00 0.00 0.00 61.98 62.85 3fa4 s VAL 110 Cb 0.00 -3.49 -0.16 0.00 0.00 0.00 0.00 36.38 32.73 3fa4 s VAL 110 CO 0.00 0.14 1.16 0.00 0.00 0.00 0.00 175.10 176.40 3fa4 h ALA 111 N 4.58 0.51 -1.82 5.51 0.00 -1.52 -3.40 119.26 123.13 3fa4 h ALA 111 Ca -0.47 -0.94 0.11 0.00 0.00 0.00 0.00 54.91 53.62 3fa4 h ALA 111 Cb 1.22 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.82 3fa4 h ALA 111 CO 0.73 1.19 0.56 0.00 0.00 0.00 0.00 179.25 181.73 3fa4 s ALA 112 N -2.75 -1.91 0.11 0.00 0.00 -1.07 -1.73 121.76 114.42 3fa4 s ALA 112 Ca 0.00 1.38 -0.19 0.00 0.00 0.00 0.00 51.96 53.15 3fa4 s ALA 112 Cb 0.09 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 23.03 3fa4 s ALA 112 CO 0.81 -0.48 0.47 -0.59 0.00 0.00 0.00 175.76 175.96 3fa4 s PHE 113 N -2.02 -0.33 0.06 0.00 -0.12 -0.89 -0.56 117.98 114.12 3fa4 s PHE 113 Ca 0.02 0.12 0.07 0.00 -0.05 0.00 0.00 56.93 57.10 3fa4 s PHE 113 Cb -0.01 0.34 -0.03 0.00 -0.63 0.00 0.00 43.02 42.69 3fa4 s PHE 113 CO -0.03 -0.72 -0.17 -3.38 -0.05 0.00 0.00 175.22 170.87 3fa4 s HIS 114 N -3.47 2.57 -0.04 3.49 -3.43 -1.10 -1.79 115.29 111.52 3fa4 s HIS 114 Ca 0.00 -0.24 0.04 0.00 -0.80 0.00 0.00 55.06 54.06 3fa4 s HIS 114 Cb 0.01 -1.43 -0.00 0.00 -1.43 0.00 0.00 32.58 29.72 3fa4 s HIS 114 CO -0.10 0.31 -0.17 0.42 -2.00 0.00 0.00 174.74 173.20 3fa4 s ILE 115 N -1.01 1.38 0.43 -5.38 1.01 -0.19 -2.87 121.20 114.56 3fa4 s ILE 115 Ca 0.16 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.18 3fa4 s ILE 115 Cb -0.11 -1.18 -0.06 0.00 0.01 0.00 0.00 42.46 41.12 3fa4 s ILE 115 CO 0.07 0.40 0.04 -1.83 0.00 0.00 0.00 174.94 173.62 3fa4 s GLU 116 N -0.01 2.05 -0.35 2.79 -1.05 -1.07 0.42 118.70 121.48 3fa4 s GLU 116 Ca -0.02 -2.12 0.08 0.00 -0.15 0.00 0.00 54.97 52.76 3fa4 s GLU 116 Cb -0.11 -1.68 0.67 0.00 -0.44 0.00 0.00 34.13 32.57 3fa4 s GLU 116 CO 0.02 -0.13 1.77 -0.40 0.95 0.00 0.00 175.26 177.47 3fa4 n ASP 117 N -1.08 4.05 -4.87 0.83 5.75 -1.22 -4.74 116.55 115.27 3fa4 n ASP 117 Ca -0.07 -3.43 -0.30 0.00 -0.01 0.00 0.00 54.79 50.98 3fa4 n ASP 117 Cb 0.67 -0.75 -0.02 0.00 -1.03 0.00 0.00 41.12 39.99 3fa4 n ASP 117 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3fa4 s GLN 118 N -3.13 3.73 0.69 0.11 -0.21 -1.26 -0.33 119.66 119.25 3fa4 s GLN 118 Ca 0.53 0.58 -0.16 0.00 0.02 0.00 0.00 55.36 56.33 3fa4 s GLN 118 Cb 0.44 -2.26 0.01 0.00 1.00 0.00 0.00 33.01 32.21 3fa4 s GLN 118 CO 0.10 -0.24 1.21 0.14 -2.12 0.00 0.00 175.29 174.38 3fa4 s VAL 119 N -2.68 2.39 0.25 1.09 -7.23 -0.94 -4.63 120.40 108.65 3fa4 s VAL 119 Ca 0.53 0.21 -0.03 0.00 -1.81 0.00 0.00 61.98 60.87 3fa4 s VAL 119 Cb -0.10 -2.87 0.12 0.00 0.56 0.00 0.00 36.38 34.09 3fa4 s VAL 119 CO 0.39 -0.09 1.76 -0.61 -0.31 0.00 0.00 175.10 176.25 3fa4 h GLN 120 N 0.08 0.89 -1.94 4.82 4.15 -1.96 -3.49 115.11 117.66 3fa4 h GLN 120 Ca -0.49 -0.22 -0.73 0.00 0.77 0.00 0.00 58.65 57.98 3fa4 h GLN 120 Cb 1.30 -0.11 -0.30 0.00 0.21 0.00 0.00 27.48 28.57 3fa4 h GLN 120 CO 0.51 0.84 0.67 2.41 -1.93 0.00 0.00 178.83 181.34 3fa4 n THR 121 N -4.23 3.58 -1.48 2.39 -1.04 -1.26 -4.98 114.28 107.25 3fa4 n THR 121 Ca 0.03 -4.61 0.00 0.00 -2.04 0.00 0.00 64.05 57.43 3fa4 n THR 121 Cb 0.28 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 3fa4 n THR 121 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fa4 n GLY 129 N -0.48 0.00 3.84 3.41 0.00 -1.26 -5.07 105.19 105.63 3fa4 n GLY 129 Ca 0.50 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.19 3fa4 n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fa4 s LYS 130 N -0.34 4.05 -0.04 1.61 1.02 -1.26 -5.09 119.74 119.69 3fa4 s LYS 130 Ca 0.00 0.74 0.07 0.00 0.02 0.00 0.00 55.97 56.79 3fa4 s LYS 130 Cb 0.00 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.84 3fa4 s LYS 130 CO 0.00 0.16 -0.25 0.42 -0.92 0.00 0.00 175.35 174.76 3fa4 s ILE 131 N -1.96 2.01 0.22 2.17 1.01 -1.26 -4.98 121.20 118.42 3fa4 s ILE 131 Ca 0.54 -1.06 0.11 0.00 0.00 0.00 0.00 60.65 60.24 3fa4 s ILE 131 Cb -0.11 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 3fa4 s ILE 131 CO 0.17 0.56 -0.22 -0.76 0.00 0.00 0.00 174.94 174.70 3fa4 s LEU 132 N -0.35 2.49 0.27 2.97 1.43 -1.26 -2.21 118.68 122.03 3fa4 s LEU 132 Ca 0.02 -0.93 0.08 0.00 -1.03 0.00 0.00 54.13 52.27 3fa4 s LEU 132 Cb -0.12 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 3fa4 s LEU 132 CO 0.02 0.06 0.17 0.54 0.23 0.00 0.00 176.35 177.37 3fa4 s VAL 133 N -2.06 4.03 0.75 -1.59 0.11 0.55 -4.66 120.40 117.52 3fa4 s VAL 133 Ca 0.23 -1.51 -0.13 0.00 -2.93 0.00 0.00 61.98 57.65 3fa4 s VAL 133 Cb -0.06 -3.24 0.05 0.00 -1.53 0.00 0.00 36.38 31.60 3fa4 s VAL 133 CO 0.11 -0.32 1.14 1.51 -3.33 0.00 0.00 175.10 174.21 3fa4 s ASP 134 N -3.84 4.34 0.21 3.54 1.47 -1.26 -4.81 116.67 116.32 3fa4 s ASP 134 Ca 0.34 2.08 -0.09 0.00 1.18 0.00 0.00 52.55 56.07 3fa4 s ASP 134 Cb -0.07 -2.56 0.22 0.00 -0.34 0.00 0.00 42.92 40.18 3fa4 s ASP 134 CO 0.24 -2.15 1.85 0.74 0.68 0.00 0.00 175.17 176.53 3fa4 h THR 135 N -0.67 1.08 -0.99 2.11 2.02 -1.98 -1.56 112.91 112.92 3fa4 h THR 135 Ca -0.46 -0.30 0.04 0.00 0.77 0.00 0.00 66.41 66.46 3fa4 h THR 135 Cb 1.26 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 3fa4 h THR 135 CO 0.50 0.16 0.64 0.44 0.37 0.00 0.00 175.52 177.64 3fa4 h ASP 136 N 0.88 1.07 -0.17 4.18 5.19 -1.98 0.42 116.42 126.01 3fa4 h ASP 136 Ca 0.30 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.70 3fa4 h ASP 136 Cb 0.05 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 3fa4 h ASP 136 CO -0.12 0.72 0.08 0.74 -3.12 0.00 0.00 179.24 177.54 3fa4 h THR 137 N 1.23 1.13 0.39 0.35 2.02 -1.81 -0.20 112.91 116.02 3fa4 h THR 137 Ca 0.40 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 3fa4 h THR 137 Cb 0.03 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3fa4 h THR 137 CO -0.13 0.12 -0.21 0.22 0.37 0.00 0.00 175.52 175.90 3fa4 h TYR 138 N 0.14 -0.53 -0.92 3.16 3.20 -0.87 -2.62 116.97 118.52 3fa4 h TYR 138 Ca 0.06 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.06 3fa4 h TYR 138 Cb 0.12 0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.50 3fa4 h TYR 138 CO -0.03 -0.33 0.59 0.28 -1.64 0.00 0.00 178.16 177.04 3fa4 h VAL 139 N -0.55 0.85 -0.84 1.81 2.07 -0.15 -0.53 116.25 118.91 3fa4 h VAL 139 Ca -0.05 -0.26 0.16 0.00 0.82 0.00 0.00 66.70 67.37 3fa4 h VAL 139 Cb 0.44 0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.13 3fa4 h VAL 139 CO 0.07 0.14 0.41 0.74 0.02 0.00 0.00 177.57 178.95 3fa4 h THR 140 N 0.76 0.68 0.05 2.57 2.02 -0.67 -0.43 112.91 117.90 3fa4 h THR 140 Ca 0.46 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.46 3fa4 h THR 140 Cb 0.67 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3fa4 h THR 140 CO -0.23 0.10 -0.11 0.03 0.37 0.00 0.00 175.52 175.69 3fa4 h ARG 141 N 0.56 -0.20 -0.63 6.66 3.08 -0.84 -1.93 114.38 121.09 3fa4 h ARG 141 Ca 0.47 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.47 3fa4 h ARG 141 Cb 0.71 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 3fa4 h ARG 141 CO -0.39 -0.13 0.15 0.82 -1.07 0.00 0.00 179.97 179.34 3fa4 h ILE 142 N -0.20 1.25 -0.34 2.04 1.08 -1.03 -2.86 117.51 117.44 3fa4 h ILE 142 Ca 0.02 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.57 3fa4 h ILE 142 Cb 0.23 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 3fa4 h ILE 142 CO -0.07 0.35 0.18 -0.09 -0.69 0.00 0.00 178.15 177.82 3fa4 h ARG 143 N 0.95 0.48 -0.51 2.37 2.43 -1.12 -1.25 114.38 117.74 3fa4 h ARG 143 Ca 0.20 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3fa4 h ARG 143 Cb 0.34 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3fa4 h ARG 143 CO 0.00 0.41 0.28 0.00 -1.51 0.00 0.00 179.97 179.15 3fa4 h ALA 144 N 1.04 0.65 -0.13 2.80 0.00 -1.16 -0.81 119.26 121.65 3fa4 h ALA 144 Ca 0.12 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3fa4 h ALA 144 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3fa4 h ALA 144 CO -0.02 -0.04 0.07 0.00 0.00 0.00 0.00 179.25 179.26 3fa4 h ALA 145 N 1.25 0.16 -0.31 0.00 0.00 -1.43 -0.14 119.26 118.79 3fa4 h ALA 145 Ca 0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3fa4 h ALA 145 Cb 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fa4 h ALA 145 CO -0.12 -0.37 0.18 0.28 0.00 0.00 0.00 179.25 179.22 3fa4 h VAL 146 N 0.15 1.12 -0.29 0.00 2.07 -0.95 -2.12 116.25 116.22 3fa4 h VAL 146 Ca 0.05 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.13 3fa4 h VAL 146 Cb -0.00 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3fa4 h VAL 146 CO -0.03 0.12 -0.39 1.56 0.02 0.00 0.00 177.57 178.86 3fa4 h GLN 147 N 0.39 0.69 -0.21 1.57 4.20 -1.10 -1.83 115.11 118.83 3fa4 h GLN 147 Ca 0.11 -0.35 -0.10 0.00 0.06 0.00 0.00 58.65 58.37 3fa4 h GLN 147 Cb 0.04 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 3fa4 h GLN 147 CO -0.02 0.96 -0.26 0.00 -0.67 0.00 0.00 178.83 178.84 3fa4 h ALA 148 N 1.00 0.31 -0.56 3.87 0.00 -0.90 -0.11 119.26 122.88 3fa4 h ALA 148 Ca 0.05 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3fa4 h ALA 148 Cb 0.92 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3fa4 h ALA 148 CO 0.08 0.30 0.13 0.07 0.00 0.00 0.00 179.25 179.83 3fa4 h ARG 149 N 0.23 0.87 -0.45 0.00 0.11 -1.42 -2.95 114.38 110.77 3fa4 h ARG 149 Ca 0.03 -0.18 -0.09 0.00 0.10 0.00 0.00 59.98 59.83 3fa4 h ARG 149 Cb 0.82 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 31.76 3fa4 h ARG 149 CO 0.06 0.78 -0.10 1.96 0.10 0.00 0.00 179.97 182.77 3fa4 h GLN 150 N 0.83 0.81 -0.67 0.08 4.20 -1.11 0.21 115.11 119.45 3fa4 h GLN 150 Ca 0.18 -0.27 0.01 0.00 0.06 0.00 0.00 58.65 58.63 3fa4 h GLN 150 Cb 0.31 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3fa4 h GLN 150 CO -0.00 0.88 0.45 -0.09 -0.67 0.00 0.00 178.83 179.39 3fa4 h ARG 151 N 0.73 0.89 -0.14 1.46 2.43 -0.85 -2.72 114.38 116.19 3fa4 h ARG 151 Ca 0.12 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3fa4 h ARG 151 Cb 0.59 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3fa4 h ARG 151 CO 0.04 0.59 0.00 0.44 -1.51 0.00 0.00 179.97 179.53 3fa4 n ILE 152 N -4.43 0.22 -0.88 1.20 -5.35 -1.16 -4.95 119.36 104.01 3fa4 n ILE 152 Ca 0.07 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 3fa4 n ILE 152 Cb 0.04 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.10 3fa4 n ILE 152 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fa4 n GLY 153 N 0.98 0.54 3.76 3.28 0.00 -0.85 -5.01 105.19 107.88 3fa4 n GLY 153 Ca 0.12 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 3fa4 n GLY 153 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fa4 s SER 154 N -2.22 7.31 0.00 1.61 0.15 0.67 -4.97 113.70 116.25 3fa4 s SER 154 Ca 0.00 2.23 0.21 0.00 0.70 0.00 0.00 55.95 59.09 3fa4 s SER 154 Cb 0.00 -2.62 0.71 0.00 -1.71 0.00 0.00 66.02 62.39 3fa4 s SER 154 CO 0.00 -0.11 1.53 0.47 1.20 0.00 0.00 173.24 176.33 3fa4 n ASP 155 N 1.21 1.84 -4.58 5.45 8.00 -1.26 -4.49 116.55 122.72 3fa4 n ASP 155 Ca -0.01 -1.74 -0.49 0.00 0.71 0.00 0.00 54.79 53.25 3fa4 n ASP 155 Cb 0.45 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.39 3fa4 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa4 n ILE 156 N 0.44 0.70 -2.89 0.53 3.06 -1.26 -4.60 119.36 115.34 3fa4 n ILE 156 Ca 0.16 -0.18 -0.42 0.00 -2.50 0.00 0.00 62.75 59.82 3fa4 n ILE 156 Cb 0.36 -0.85 -0.04 0.00 0.54 0.00 0.00 39.64 39.65 3fa4 n ILE 156 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3fa4 s VAL 157 N -0.04 4.84 -0.37 9.51 1.01 -0.71 -4.97 120.40 129.68 3fa4 s VAL 157 Ca 0.75 1.57 -0.17 0.00 0.00 0.00 0.00 61.98 64.14 3fa4 s VAL 157 Cb -0.87 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 31.39 3fa4 s VAL 157 CO 0.51 -0.06 0.45 -0.69 0.00 0.00 0.00 175.10 175.31 3fa4 s VAL 158 N 2.74 5.07 -0.32 2.92 1.01 -1.26 -2.10 120.40 128.45 3fa4 s VAL 158 Ca 0.35 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.30 3fa4 s VAL 158 Cb -0.15 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 3fa4 s VAL 158 CO 0.08 -0.23 0.21 -0.63 0.00 0.00 0.00 175.10 174.53 3fa4 s ILE 159 N 2.23 5.09 -0.49 2.22 1.01 -0.74 0.35 121.20 130.87 3fa4 s ILE 159 Ca 0.15 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 3fa4 s ILE 159 Cb -0.16 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.75 3fa4 s ILE 159 CO 0.13 0.05 1.23 0.00 0.00 0.00 0.00 174.94 176.35 3fa4 s ALA 160 N 1.70 3.07 -0.04 9.38 0.00 0.19 -1.02 121.76 135.03 3fa4 s ALA 160 Ca 0.06 -0.50 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 3fa4 s ALA 160 Cb -0.17 -3.95 -0.05 0.00 0.00 0.00 0.00 23.12 18.95 3fa4 s ALA 160 CO 0.09 -2.44 0.27 0.50 0.00 0.00 0.00 175.76 174.18 3fa4 s ARG 161 N 4.76 3.63 -0.04 0.00 3.52 0.17 -1.08 118.95 129.91 3fa4 s ARG 161 Ca 0.50 0.06 0.05 0.00 -0.13 0.00 0.00 55.73 56.21 3fa4 s ARG 161 Cb -0.09 -3.16 -0.01 0.00 -1.56 0.00 0.00 34.95 30.14 3fa4 s ARG 161 CO 0.30 0.71 -0.17 -0.08 -0.81 0.00 0.00 175.30 175.25 3fa4 s THR 162 N -1.14 1.44 -0.28 4.11 -1.32 -0.53 -3.38 115.64 114.55 3fa4 s THR 162 Ca 0.22 -0.73 0.11 0.00 -1.21 0.00 0.00 61.69 60.08 3fa4 s THR 162 Cb -0.14 -1.23 0.57 0.00 -1.51 0.00 0.00 72.50 70.20 3fa4 s THR 162 CO 0.11 0.41 1.56 0.47 -2.21 0.00 0.00 174.62 174.96 3fa4 n ASP 163 N 3.03 3.47 -0.24 8.08 8.00 -1.26 -2.47 116.55 135.16 3fa4 n ASP 163 Ca -0.17 -3.42 0.12 0.00 0.71 0.00 0.00 54.79 52.03 3fa4 n ASP 163 Cb 0.53 -0.65 0.23 0.00 -0.02 0.00 0.00 41.12 41.21 3fa4 n ASP 163 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3fa4 n SER 164 N -0.76 1.16 0.08 -2.24 3.41 -1.26 -4.41 113.62 109.60 3fa4 n SER 164 Ca 0.33 -0.93 -0.12 0.00 -0.26 0.00 0.00 58.87 57.89 3fa4 n SER 164 Cb 1.11 0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 65.32 3fa4 n SER 164 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fa4 h LEU 165 N 1.18 -0.56 0.15 1.04 5.85 -1.83 -0.06 115.31 121.07 3fa4 h LEU 165 Ca 0.00 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3fa4 h LEU 165 Cb 0.56 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 3fa4 h LEU 165 CO 0.00 -0.27 -0.27 -0.61 -0.34 0.00 0.00 178.44 176.96 3fa4 h GLN 166 N -0.34 -0.48 0.02 1.25 4.15 -1.89 0.18 115.11 118.01 3fa4 h GLN 166 Ca 0.04 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3fa4 h GLN 166 Cb 0.39 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.19 3fa4 h GLN 166 CO -0.15 -0.32 -0.01 1.15 -1.93 0.00 0.00 178.83 177.57 3fa4 h THR 167 N -0.49 1.37 0.00 2.39 2.02 -1.82 -3.41 112.91 112.96 3fa4 h THR 167 Ca 0.02 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.97 3fa4 h THR 167 Cb 0.51 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 3fa4 h THR 167 CO -0.14 0.31 -1.16 1.41 0.37 0.00 0.00 175.52 176.31 3fa4 n HIS 168 N -4.85 0.00 0.00 3.16 8.25 -0.06 -5.14 115.22 116.59 3fa4 n HIS 168 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3fa4 n HIS 168 Cb 0.27 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3fa4 n HIS 168 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa4 n GLY 169 N 1.57 0.26 0.22 -1.41 0.00 0.64 -4.50 105.19 101.96 3fa4 n GLY 169 Ca -0.00 -1.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.10 3fa4 n GLY 169 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fa4 h TYR 170 N 0.00 -0.73 -0.32 1.61 3.20 -1.89 -2.17 116.97 116.66 3fa4 h TYR 170 Ca 0.00 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.97 3fa4 h TYR 170 Cb 0.00 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3fa4 h TYR 170 CO 0.00 -0.26 0.23 0.93 -1.64 0.00 0.00 178.16 177.41 3fa4 h GLU 171 N -0.30 0.07 -0.12 1.82 5.08 -1.98 -1.20 114.58 117.94 3fa4 h GLU 171 Ca 0.01 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.14 3fa4 h GLU 171 Cb 0.33 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.57 3fa4 h GLU 171 CO -0.17 0.05 -0.80 1.49 -1.00 0.00 0.00 179.01 178.57 3fa4 h GLU 172 N 0.07 0.76 -0.25 2.33 4.57 -1.73 -1.82 114.58 118.52 3fa4 h GLU 172 Ca 0.15 -0.65 0.06 0.00 -1.18 0.00 0.00 59.36 57.74 3fa4 h GLU 172 Cb 0.50 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 29.17 3fa4 h GLU 172 CO -0.01 1.26 -0.26 0.77 -1.18 0.00 0.00 179.01 179.58 3fa4 h SER 173 N 0.48 -0.84 -0.47 1.04 0.02 -0.67 -1.70 113.55 111.42 3fa4 h SER 173 Ca -0.07 0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3fa4 h SER 173 Cb 1.44 0.39 -0.02 0.00 0.14 0.00 0.00 62.40 64.34 3fa4 h SER 173 CO 0.16 -0.29 0.19 0.58 -1.14 0.00 0.00 176.83 176.33 3fa4 h VAL 174 N -0.27 1.20 -0.54 2.27 2.07 -1.24 -2.37 116.25 117.37 3fa4 h VAL 174 Ca 0.14 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3fa4 h VAL 174 Cb 0.48 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3fa4 h VAL 174 CO -0.40 0.25 0.29 0.00 0.02 0.00 0.00 177.57 177.73 3fa4 h ALA 175 N 1.47 0.69 -0.69 1.67 0.00 -0.92 -1.09 119.26 120.39 3fa4 h ALA 175 Ca 0.18 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3fa4 h ALA 175 Cb 0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3fa4 h ALA 175 CO -0.01 0.22 0.17 0.00 0.00 0.00 0.00 179.25 179.62 3fa4 h ARG 176 N 0.72 1.09 -0.52 0.00 3.08 -1.10 -1.94 114.38 115.71 3fa4 h ARG 176 Ca 0.19 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 3fa4 h ARG 176 Cb 0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3fa4 h ARG 176 CO -0.03 0.96 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.63 3fa4 h LEU 177 N 1.04 1.03 -0.53 3.04 3.38 -1.22 -1.95 115.31 120.09 3fa4 h LEU 177 Ca 0.22 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3fa4 h LEU 177 Cb 0.36 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3fa4 h LEU 177 CO 0.00 1.15 0.26 0.03 0.09 0.00 0.00 178.44 179.98 3fa4 h ARG 178 N 0.89 0.76 -0.63 1.13 3.08 -1.09 -0.27 114.38 118.25 3fa4 h ARG 178 Ca 0.13 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3fa4 h ARG 178 Cb 0.71 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 3fa4 h ARG 178 CO 0.05 0.62 0.36 0.00 -1.07 0.00 0.00 179.97 179.94 3fa4 h ALA 179 N 1.10 1.46 -0.31 0.04 0.00 -1.16 -1.94 119.26 118.45 3fa4 h ALA 179 Ca 0.18 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3fa4 h ALA 179 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3fa4 h ALA 179 CO -0.02 0.46 -0.21 0.00 0.00 0.00 0.00 179.25 179.47 3fa4 h ALA 180 N 1.54 0.45 -0.27 0.00 0.00 -1.01 -2.26 119.26 117.70 3fa4 h ALA 180 Ca 0.22 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.82 3fa4 h ALA 180 Cb -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3fa4 h ALA 180 CO -0.04 0.40 -0.08 -0.09 0.00 0.00 0.00 179.25 179.45 3fa4 h ARG 181 N 0.45 -0.01 0.00 0.00 2.43 -0.96 -1.88 114.38 114.42 3fa4 h ARG 181 Ca 0.06 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3fa4 h ARG 181 Cb 0.77 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3fa4 h ARG 181 CO 0.06 -0.01 -0.09 -0.44 -1.51 0.00 0.00 179.97 177.98 3fa4 h ASP 182 N -0.01 0.00 0.71 -3.80 3.32 -1.32 -1.69 116.42 113.63 3fa4 h ASP 182 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3fa4 h ASP 182 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3fa4 h ASP 182 CO -0.29 0.09 -0.19 0.00 -1.72 0.00 0.00 179.24 177.13 3fa4 n ALA 183 N -2.40 2.82 0.00 3.45 0.00 -0.86 -4.95 120.51 118.58 3fa4 n ALA 183 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3fa4 n ALA 183 Cb 0.17 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3fa4 n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 184 N 1.46 1.31 3.74 0.00 0.00 -0.63 -4.59 105.19 106.47 3fa4 n GLY 184 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3fa4 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa4 s ALA 185 N -2.00 2.45 -0.12 4.61 0.00 -0.74 -4.95 121.76 121.00 3fa4 s ALA 185 Ca 0.00 1.21 0.18 0.00 0.00 0.00 0.00 51.96 53.35 3fa4 s ALA 185 Cb 0.00 -3.55 -0.18 0.00 0.00 0.00 0.00 23.12 19.40 3fa4 s ALA 185 CO 0.00 -1.53 0.67 -0.25 0.00 0.00 0.00 175.76 174.65 3fa4 n ASP 186 N -1.77 0.64 -3.93 0.00 8.00 0.15 -4.66 116.55 114.97 3fa4 n ASP 186 Ca 0.15 0.28 -0.10 0.00 0.71 0.00 0.00 54.79 55.83 3fa4 n ASP 186 Cb 0.48 0.49 -0.12 0.00 -0.02 0.00 0.00 41.12 41.94 3fa4 n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fa4 s VAL 187 N -2.92 0.07 0.09 2.53 1.01 -1.06 -4.16 120.40 115.95 3fa4 s VAL 187 Ca -0.05 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3fa4 s VAL 187 Cb 0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.27 3fa4 s VAL 187 CO 0.82 -0.29 0.17 -0.83 0.00 0.00 0.00 175.10 174.98 3fa4 s GLY 188 N -0.85 2.04 -0.33 4.51 0.00 -0.37 0.54 107.32 112.87 3fa4 s GLY 188 Ca -0.09 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.69 3fa4 s GLY 188 CO -0.01 -0.94 0.33 -0.12 0.00 0.00 0.00 173.10 172.37 3fa4 s PHE 189 N -1.52 -0.37 -0.56 1.90 2.19 -0.24 -0.34 117.98 119.04 3fa4 s PHE 189 Ca 0.33 -0.49 -0.23 0.00 0.33 0.00 0.00 56.93 56.87 3fa4 s PHE 189 Cb -0.12 -0.44 0.05 0.00 -1.31 0.00 0.00 43.02 41.20 3fa4 s PHE 189 CO 0.26 -0.94 0.87 -1.17 1.83 0.00 0.00 175.22 176.07 3fa4 s LEU 190 N 1.91 4.36 0.00 6.12 0.20 -1.26 -1.45 118.68 128.57 3fa4 s LEU 190 Ca 0.13 -0.61 -0.30 0.00 0.69 0.00 0.00 54.13 54.04 3fa4 s LEU 190 Cb -0.15 -2.66 -0.05 0.00 -0.43 0.00 0.00 46.19 42.90 3fa4 s LEU 190 CO -0.19 -1.19 1.36 -0.70 -0.29 0.00 0.00 176.35 175.34 3fa4 s GLU 191 N 3.66 4.30 0.00 1.98 2.56 -1.03 -3.94 118.70 126.24 3fa4 s GLU 191 Ca 0.25 1.92 0.00 0.00 0.00 0.00 0.00 54.97 57.14 3fa4 s GLU 191 Cb -0.15 -3.54 0.00 0.00 2.00 0.00 0.00 34.13 32.44 3fa4 s GLU 191 CO 0.16 -0.53 0.00 0.41 -0.56 0.00 0.00 175.26 174.74 3fa4 n GLY 192 N 3.57 0.88 3.58 -1.50 0.00 -1.26 -4.65 105.19 105.81 3fa4 n GLY 192 Ca 0.12 -0.30 -0.55 0.00 0.00 0.00 0.00 46.02 45.30 3fa4 n GLY 192 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa4 n ILE 193 N -2.24 0.03 0.74 -0.61 5.41 -1.25 -4.64 119.36 116.79 3fa4 n ILE 193 Ca 0.00 -0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.85 3fa4 n ILE 193 Cb 0.01 -0.61 -0.03 0.00 -0.71 0.00 0.00 39.64 38.30 3fa4 n ILE 193 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3fa4 n THR 194 N 2.45 0.05 -3.79 1.39 -2.24 -1.26 -3.23 114.28 107.65 3fa4 n THR 194 Ca 0.20 -0.14 -0.09 0.00 -2.27 0.00 0.00 64.05 61.76 3fa4 n THR 194 Cb 0.15 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 3fa4 n THR 194 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3fa4 s SER 195 N -3.47 -0.28 0.11 3.42 1.04 -1.26 -4.57 113.70 108.70 3fa4 s SER 195 Ca 0.05 -0.54 -0.21 0.00 0.48 0.00 0.00 55.95 55.73 3fa4 s SER 195 Cb 0.15 0.66 -0.08 0.00 0.10 0.00 0.00 66.02 66.85 3fa4 s SER 195 CO 0.83 -1.20 1.75 0.03 0.98 0.00 0.00 173.24 175.62 3fa4 h ARG 196 N 2.08 0.11 -1.04 4.02 3.08 -1.96 -1.66 114.38 119.01 3fa4 h ARG 196 Ca -0.24 -0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.07 3fa4 h ARG 196 Cb 1.26 -0.02 -0.10 0.00 0.08 0.00 0.00 29.97 31.18 3fa4 h ARG 196 CO 0.30 0.07 0.66 1.49 -1.07 0.00 0.00 179.97 181.42 3fa4 h GLU 197 N 0.11 0.42 -0.02 0.04 4.81 -1.99 -1.80 114.58 116.15 3fa4 h GLU 197 Ca 0.06 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.04 3fa4 h GLU 197 Cb 0.03 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3fa4 h GLU 197 CO -0.06 0.28 -0.91 1.98 -0.73 0.00 0.00 179.01 179.56 3fa4 h MET 198 N 0.43 0.47 -0.57 1.92 4.05 -1.89 -0.66 114.93 118.69 3fa4 h MET 198 Ca 0.62 -0.48 0.03 0.00 -0.28 0.00 0.00 59.70 59.59 3fa4 h MET 198 Cb 1.47 0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 32.36 3fa4 h MET 198 CO -0.35 1.13 0.33 0.00 0.23 0.00 0.00 176.91 178.25 3fa4 h ALA 199 N 0.71 0.73 -0.15 0.39 0.00 -0.59 -0.14 119.26 120.22 3fa4 h ALA 199 Ca -0.08 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 3fa4 h ALA 199 Cb 1.54 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3fa4 h ALA 199 CO 0.16 0.04 -0.71 0.00 0.00 0.00 0.00 179.25 178.75 3fa4 h ARG 200 N 0.65 0.65 -0.21 0.00 3.08 -1.37 -2.67 114.38 114.51 3fa4 h ARG 200 Ca 0.23 -0.50 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 3fa4 h ARG 200 Cb 0.06 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3fa4 h ARG 200 CO -0.12 1.12 0.11 0.37 -1.07 0.00 0.00 179.97 180.38 3fa4 h GLN 201 N 0.46 0.29 -0.67 0.04 5.75 -0.98 -2.53 115.11 117.46 3fa4 h GLN 201 Ca -0.03 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.38 3fa4 h GLN 201 Cb 1.30 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.77 3fa4 h GLN 201 CO 0.14 0.27 0.19 -0.24 -2.65 0.00 0.00 178.83 176.54 3fa4 h VAL 202 N 0.23 1.25 -0.67 2.39 3.04 -1.02 -1.67 116.25 119.80 3fa4 h VAL 202 Ca 0.07 -0.89 0.04 0.00 -1.01 0.00 0.00 66.70 64.91 3fa4 h VAL 202 Cb 0.07 0.53 -0.05 0.00 -2.01 0.00 0.00 31.29 29.83 3fa4 h VAL 202 CO -0.01 0.34 0.40 0.40 -1.01 0.00 0.00 177.57 177.70 3fa4 h ILE 203 N 1.00 1.05 -0.45 3.17 2.04 -1.43 -0.98 117.51 121.91 3fa4 h ILE 203 Ca 0.22 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3fa4 h ILE 203 Cb 0.31 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3fa4 h ILE 203 CO -0.00 0.14 0.26 -0.61 0.00 0.00 0.00 178.15 177.94 3fa4 h GLN 204 N 0.78 0.62 -0.01 2.37 5.75 -1.13 -2.83 115.11 120.67 3fa4 h GLN 204 Ca 0.28 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.58 3fa4 h GLN 204 Cb 0.07 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3fa4 h GLN 204 CO -0.13 0.47 -0.62 -0.44 -2.65 0.00 0.00 178.83 175.47 3fa4 h ASP 205 N 0.60 0.03 -1.33 -0.69 3.32 -1.13 -2.92 116.42 114.30 3fa4 h ASP 205 Ca 0.16 -0.02 -0.65 0.00 0.02 0.00 0.00 57.03 56.54 3fa4 h ASP 205 Cb 0.02 -0.01 -0.35 0.00 0.22 0.00 0.00 39.33 39.21 3fa4 h ASP 205 CO -0.03 0.64 0.15 0.18 -1.72 0.00 0.00 179.24 178.46 3fa4 n LEU 206 N -3.82 6.31 -4.74 1.55 4.77 -0.39 -5.06 117.00 115.62 3fa4 n LEU 206 Ca -0.01 -4.76 -0.41 0.00 -0.03 0.00 0.00 56.01 50.79 3fa4 n LEU 206 Cb 0.61 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 3fa4 n LEU 206 CO 0.42 1.88 0.95 0.00 -1.33 0.00 0.00 177.39 179.31 3fa4 s ALA 207 N -3.77 3.49 0.00 -1.18 0.00 -1.07 -2.76 121.76 116.47 3fa4 s ALA 207 Ca 0.54 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.56 3fa4 s ALA 207 Cb 0.44 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3fa4 s ALA 207 CO -0.15 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.54 3fa4 n GLY 208 N 2.28 2.19 3.50 0.00 0.00 -1.26 -5.06 105.19 106.84 3fa4 n GLY 208 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3fa4 n GLY 208 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fa4 s TRP 209 N -2.43 3.10 0.31 1.61 -0.00 -1.11 -5.10 118.94 115.32 3fa4 s TRP 209 Ca 0.00 -0.29 -0.29 0.00 -0.00 0.00 0.00 56.10 55.52 3fa4 s TRP 209 Cb 0.00 -2.12 -0.13 0.00 -0.00 0.00 0.00 33.47 31.22 3fa4 s TRP 209 CO 0.00 -0.16 1.27 -2.30 -0.00 0.00 0.00 176.95 175.77 3fa4 n PRO 210 N 4.22 1.98 -5.02 5.86 -0.02 -1.26 -4.86 135.00 135.90 3fa4 n PRO 210 Ca -0.17 0.70 -0.30 0.00 -2.02 0.00 0.00 63.50 61.71 3fa4 n PRO 210 Cb 0.52 -2.26 -0.15 0.00 -0.02 0.00 0.00 33.50 31.58 3fa4 n PRO 210 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fa4 s LEU 211 N -0.53 2.13 -0.24 2.45 1.43 -1.26 -1.23 118.68 121.43 3fa4 s LEU 211 Ca 0.59 -0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 53.00 3fa4 s LEU 211 Cb -0.61 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 3fa4 s LEU 211 CO 0.59 0.27 0.33 -0.22 0.23 0.00 0.00 176.35 177.55 3fa4 s LEU 212 N -1.03 4.09 -0.27 1.79 0.20 0.54 -0.18 118.68 123.82 3fa4 s LEU 212 Ca 0.11 0.31 -0.18 0.00 0.69 0.00 0.00 54.13 55.07 3fa4 s LEU 212 Cb -0.10 -2.38 -0.03 0.00 -0.43 0.00 0.00 46.19 43.26 3fa4 s LEU 212 CO 0.01 -0.10 0.50 -0.22 -0.29 0.00 0.00 176.35 176.25 3fa4 s LEU 213 N 1.62 4.06 -0.55 -0.68 2.96 0.44 -4.35 118.68 122.18 3fa4 s LEU 213 Ca 0.14 0.46 -0.25 0.00 -0.22 0.00 0.00 54.13 54.27 3fa4 s LEU 213 Cb -0.15 -2.63 0.04 0.00 0.50 0.00 0.00 46.19 43.95 3fa4 s LEU 213 CO 0.08 -0.29 0.99 0.21 -1.32 0.00 0.00 176.35 176.03 3fa4 s ASN 214 N 1.57 6.37 -0.88 3.68 2.47 -1.26 -2.07 114.94 124.82 3fa4 s ASN 214 Ca 0.20 -0.24 -0.10 0.00 0.42 0.00 0.00 52.86 53.15 3fa4 s ASN 214 Cb -0.16 -2.46 0.23 0.00 -1.45 0.00 0.00 41.25 37.41 3fa4 s ASN 214 CO 0.09 -1.27 0.81 -0.32 -3.72 0.00 0.00 177.10 172.69 3fa4 s MET 215 N 4.15 3.56 -0.29 0.43 -2.45 -0.75 -4.86 119.30 119.09 3fa4 s MET 215 Ca 0.33 -2.77 -0.09 0.00 -1.25 0.00 0.00 55.69 51.91 3fa4 s MET 215 Cb -0.11 -4.30 -0.02 0.00 1.25 0.00 0.00 34.83 31.65 3fa4 s MET 215 CO 0.21 -1.26 0.13 0.08 1.05 0.00 0.00 175.02 175.23 3fa4 s VAL 216 N -0.43 4.57 0.96 10.11 1.01 -1.26 -4.22 120.40 131.14 3fa4 s VAL 216 Ca 0.22 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 3fa4 s VAL 216 Cb -0.11 -3.25 0.16 0.00 0.00 0.00 0.00 36.38 33.18 3fa4 s VAL 216 CO -0.08 0.17 1.09 -1.61 0.00 0.00 0.00 175.10 174.67 3fa4 s GLU 217 N 1.63 0.75 -1.98 2.72 2.02 -1.26 -3.83 118.70 118.75 3fa4 s GLU 217 Ca 0.05 0.75 0.00 0.00 0.02 0.00 0.00 54.97 55.79 3fa4 s GLU 217 Cb -0.16 -1.76 0.00 0.00 0.10 0.00 0.00 34.13 32.31 3fa4 s GLU 217 CO 0.06 -2.57 0.00 0.72 0.02 0.00 0.00 175.26 173.49 3fa4 n HIS 218 N -4.10 -0.12 0.00 1.61 8.25 -1.26 -4.92 115.22 114.67 3fa4 n HIS 218 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3fa4 n HIS 218 Cb 0.56 -3.23 0.00 0.00 1.12 0.00 0.00 29.99 28.44 3fa4 n HIS 218 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa4 n GLY 219 N -0.35 2.46 0.18 -1.41 0.00 -1.25 -5.00 105.19 99.81 3fa4 n GLY 219 Ca -0.19 -1.48 0.07 0.00 0.00 0.00 0.00 46.02 44.42 3fa4 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa4 h ALA 220 N -0.52 0.84 -2.92 4.61 0.00 -1.88 -3.46 119.26 115.93 3fa4 h ALA 220 Ca 0.00 -0.25 -0.58 0.00 0.00 0.00 0.00 54.91 54.08 3fa4 h ALA 220 Cb 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 3fa4 h ALA 220 CO 0.00 0.35 -0.19 0.99 0.00 0.00 0.00 179.25 180.40 3fa4 s THR 221 N -3.13 5.18 0.98 0.00 2.01 -1.20 -4.32 115.64 115.17 3fa4 s THR 221 Ca 0.05 0.86 -0.12 0.00 0.31 0.00 0.00 61.69 62.79 3fa4 s THR 221 Cb 0.07 -3.76 0.18 0.00 0.01 0.00 0.00 72.50 68.99 3fa4 s THR 221 CO 0.70 0.38 1.09 -2.16 -0.69 0.00 0.00 174.62 173.94 3fa4 s PRO 222 N 0.32 0.56 -0.33 4.92 0.04 -1.26 -4.57 135.00 134.68 3fa4 s PRO 222 Ca 0.24 0.98 -0.28 0.00 0.04 0.00 0.00 61.00 61.98 3fa4 s PRO 222 Cb -0.15 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.69 3fa4 s PRO 222 CO 0.09 -2.77 1.04 -1.12 0.04 0.00 0.00 177.00 174.29 3fa4 s SER 223 N -3.00 6.88 -0.16 6.66 0.01 -1.26 -4.98 113.70 117.85 3fa4 s SER 223 Ca 0.66 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.88 3fa4 s SER 223 Cb -0.21 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.52 3fa4 s SER 223 CO 0.59 -0.87 -0.10 -0.63 0.41 0.00 0.00 173.24 172.64 3fa4 s ILE 224 N 3.61 1.40 0.94 1.44 1.01 -1.26 -5.13 121.20 123.22 3fa4 s ILE 224 Ca 0.44 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 60.32 3fa4 s ILE 224 Cb -0.12 -1.41 0.16 0.00 0.01 0.00 0.00 42.46 41.09 3fa4 s ILE 224 CO 0.16 0.32 1.12 -0.94 0.00 0.00 0.00 174.94 175.59 3fa4 s SER 225 N 1.53 3.17 0.25 3.58 1.04 -1.26 -4.83 113.70 117.18 3fa4 s SER 225 Ca 0.03 1.09 -0.06 0.00 0.48 0.00 0.00 55.95 57.49 3fa4 s SER 225 Cb -0.14 -1.71 0.26 0.00 0.10 0.00 0.00 66.02 64.53 3fa4 s SER 225 CO -0.09 -2.78 1.88 0.00 0.98 0.00 0.00 173.24 173.23 3fa4 h ALA 226 N -1.65 1.22 -0.15 5.32 0.00 -2.00 -1.66 119.26 120.34 3fa4 h ALA 226 Ca -0.52 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.05 3fa4 h ALA 226 Cb 1.33 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.76 3fa4 h ALA 226 CO 0.60 0.65 -0.78 0.00 0.00 0.00 0.00 179.25 179.72 3fa4 h ALA 227 N 1.32 0.33 -0.16 0.00 0.00 -1.99 -0.67 119.26 118.09 3fa4 h ALA 227 Ca 0.32 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3fa4 h ALA 227 Cb -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3fa4 h ALA 227 CO -0.06 0.69 0.09 1.49 0.00 0.00 0.00 179.25 181.47 3fa4 h GLU 228 N 0.52 0.22 -0.94 0.00 4.81 -1.91 -2.66 114.58 114.61 3fa4 h GLU 228 Ca -0.05 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.26 3fa4 h GLU 228 Cb 1.40 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.66 3fa4 h GLU 228 CO 0.16 0.21 0.58 0.00 -0.73 0.00 0.00 179.01 179.23 3fa4 h ALA 229 N 1.00 1.39 -0.23 2.92 0.00 -1.29 0.69 119.26 123.73 3fa4 h ALA 229 Ca 0.06 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3fa4 h ALA 229 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3fa4 h ALA 229 CO -0.01 0.21 0.00 -0.22 0.00 0.00 0.00 179.25 179.23 3fa4 h LYS 230 N 0.95 0.41 -0.48 0.00 3.64 -1.01 -1.72 116.57 118.36 3fa4 h LYS 230 Ca 0.46 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.65 3fa4 h LYS 230 Cb 0.41 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3fa4 h LYS 230 CO -0.25 0.59 0.08 0.93 -2.27 0.00 0.00 179.45 178.53 3fa4 h GLU 231 N 0.18 0.75 -0.73 1.90 5.08 -1.10 -2.33 114.58 118.33 3fa4 h GLU 231 Ca 0.07 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3fa4 h GLU 231 Cb 0.40 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3fa4 h GLU 231 CO 0.01 0.71 0.48 0.52 -1.00 0.00 0.00 179.01 179.73 3fa4 h MET 232 N 0.71 0.75 0.00 2.33 2.86 -0.82 -3.46 114.93 117.29 3fa4 h MET 232 Ca 0.15 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3fa4 h MET 232 Cb 0.33 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3fa4 h MET 232 CO 0.00 0.49 0.00 0.41 1.06 0.00 0.00 176.91 178.88 3fa4 n GLY 233 N -1.45 1.34 3.74 8.32 0.00 -0.88 -4.97 105.19 111.30 3fa4 n GLY 233 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3fa4 n GLY 233 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa4 s PHE 234 N -2.00 2.32 -0.10 1.61 0.40 -0.68 -4.71 117.98 114.82 3fa4 s PHE 234 Ca 0.00 1.59 0.13 0.00 -0.60 0.00 0.00 56.93 58.05 3fa4 s PHE 234 Cb 0.00 -3.29 -0.19 0.00 0.51 0.00 0.00 43.02 40.04 3fa4 s PHE 234 CO 0.00 -2.14 0.14 0.54 0.70 0.00 0.00 175.22 174.46 3fa4 n ARG 235 N -2.74 1.30 -4.43 0.44 5.12 0.75 -4.57 116.66 112.53 3fa4 n ARG 235 Ca 0.12 -0.05 -0.20 0.00 -1.93 0.00 0.00 57.85 55.78 3fa4 n ARG 235 Cb 0.51 -1.36 -0.15 0.00 -1.16 0.00 0.00 32.46 30.30 3fa4 n ARG 235 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3fa4 s ILE 236 N -2.57 0.82 -0.12 0.55 1.01 -0.98 -1.12 121.20 118.80 3fa4 s ILE 236 Ca -0.07 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.21 3fa4 s ILE 236 Cb 0.06 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.83 3fa4 s ILE 236 CO 0.60 0.24 -0.23 -0.51 0.00 0.00 0.00 174.94 175.05 3fa4 s ILE 237 N -0.01 2.02 0.07 2.92 2.07 -0.71 -0.42 121.20 127.14 3fa4 s ILE 237 Ca 0.00 -0.98 0.04 0.00 -1.41 0.00 0.00 60.65 58.30 3fa4 s ILE 237 Cb -0.07 -1.77 -0.04 0.00 0.13 0.00 0.00 42.46 40.72 3fa4 s ILE 237 CO 0.00 0.55 -0.01 0.27 -1.91 0.00 0.00 174.94 173.84 3fa4 s ILE 238 N 0.56 3.97 -0.65 2.00 -4.36 -0.88 -0.50 121.20 121.34 3fa4 s ILE 238 Ca -0.14 -0.92 0.05 0.00 -0.26 0.00 0.00 60.65 59.38 3fa4 s ILE 238 Cb -0.17 -2.86 0.20 0.00 1.25 0.00 0.00 42.46 40.88 3fa4 s ILE 238 CO 0.04 0.18 0.57 0.49 0.24 0.00 0.00 174.94 176.46 3fa4 n PHE 239 N 0.79 2.97 0.24 1.37 3.01 -0.89 -1.81 117.46 123.14 3fa4 n PHE 239 Ca -0.12 -4.17 0.15 0.00 1.01 0.00 0.00 57.45 54.33 3fa4 n PHE 239 Cb 0.52 -0.53 0.84 0.00 -0.01 0.00 0.00 39.48 40.30 3fa4 n PHE 239 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3fa4 h PRO 240 N 4.96 0.00 -0.56 -1.08 0.11 -1.87 -0.88 132.00 132.68 3fa4 h PRO 240 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3fa4 h PRO 240 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3fa4 h PRO 240 CO 0.72 0.00 0.00 0.34 -0.21 0.00 0.00 178.00 178.85 3fa4 n PHE 241 N -3.92 0.74 0.25 0.65 7.35 -1.26 -4.54 117.46 116.72 3fa4 n PHE 241 Ca -0.01 -0.37 0.11 0.00 -0.76 0.00 0.00 57.45 56.42 3fa4 n PHE 241 Cb 0.21 0.00 0.63 0.00 0.35 0.00 0.00 39.48 40.67 3fa4 n PHE 241 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3fa4 h ALA 242 N 4.04 1.29 0.00 3.13 0.00 -1.38 -2.92 119.26 123.41 3fa4 h ALA 242 Ca 0.00 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.43 3fa4 h ALA 242 Cb 0.75 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 3fa4 h ALA 242 CO 0.00 0.21 -2.22 0.00 0.00 0.00 0.00 179.25 177.23 3fa4 n ALA 243 N -2.31 1.54 -0.05 0.00 0.00 -1.24 -4.57 120.51 113.88 3fa4 n ALA 243 Ca -0.02 -0.91 -0.09 0.00 0.00 0.00 0.00 53.44 52.42 3fa4 n ALA 243 Cb 0.28 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 3fa4 n ALA 243 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fa4 h LEU 244 N -0.17 0.12 0.44 0.00 3.38 -1.83 -0.54 115.31 116.70 3fa4 h LEU 244 Ca -0.50 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 3fa4 h LEU 244 Cb 1.69 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.44 3fa4 h LEU 244 CO -0.13 0.10 -0.21 1.23 0.09 0.00 0.00 178.44 179.52 3fa4 h GLY 245 N 0.20 -0.61 0.50 0.83 0.00 -1.79 -1.56 103.07 100.64 3fa4 h GLY 245 Ca 0.09 0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.71 3fa4 h GLY 245 CO -0.07 -0.22 0.07 -2.55 0.00 0.00 0.00 176.54 173.76 3fa4 h PRO 246 N -0.75 0.19 -0.18 4.80 0.11 -1.80 -2.19 132.00 132.17 3fa4 h PRO 246 Ca -0.06 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.09 3fa4 h PRO 246 Cb 0.53 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.53 3fa4 h PRO 246 CO 0.10 0.13 -0.24 0.00 -0.21 0.00 0.00 178.00 177.77 3fa4 h ALA 247 N 1.30 -0.18 0.23 -0.75 0.00 -1.00 -1.59 119.26 117.27 3fa4 h ALA 247 Ca 0.19 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3fa4 h ALA 247 Cb 0.23 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3fa4 h ALA 247 CO -0.26 -0.69 -0.30 0.28 0.00 0.00 0.00 179.25 178.29 3fa4 h VAL 248 N -0.28 0.36 -0.52 0.00 2.07 -1.17 -0.67 116.25 116.05 3fa4 h VAL 248 Ca 0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 3fa4 h VAL 248 Cb 0.46 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3fa4 h VAL 248 CO -0.34 0.00 0.31 0.00 0.02 0.00 0.00 177.57 177.55 3fa4 h ALA 249 N 0.03 0.66 -0.75 1.67 0.00 -1.26 -0.54 119.26 119.07 3fa4 h ALA 249 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3fa4 h ALA 249 Cb 0.57 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3fa4 h ALA 249 CO -0.11 0.16 0.41 0.00 0.00 0.00 0.00 179.25 179.71 3fa4 h ALA 250 N 1.15 0.96 0.01 0.00 0.00 -1.27 0.10 119.26 120.21 3fa4 h ALA 250 Ca 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fa4 h ALA 250 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3fa4 h ALA 250 CO -0.03 0.47 -0.01 0.52 0.00 0.00 0.00 179.25 180.20 3fa4 h MET 251 N 1.04 -0.01 -0.42 0.00 2.86 -0.91 -1.48 114.93 116.00 3fa4 h MET 251 Ca 0.26 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.98 3fa4 h MET 251 Cb 0.03 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.60 3fa4 h MET 251 CO -0.04 0.37 -0.41 -0.09 1.06 0.00 0.00 176.91 177.79 3fa4 h ARG 252 N -0.40 -0.29 -0.88 1.72 2.43 -1.13 0.59 114.38 116.41 3fa4 h ARG 252 Ca -0.00 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.32 3fa4 h ARG 252 Cb 0.39 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.94 3fa4 h ARG 252 CO 0.00 -0.20 0.57 1.49 -1.51 0.00 0.00 179.97 180.32 3fa4 h GLU 253 N -0.31 0.69 0.00 0.20 4.81 -1.02 -2.31 114.58 116.64 3fa4 h GLU 253 Ca 0.15 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 3fa4 h GLU 253 Cb 0.58 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3fa4 h GLU 253 CO -0.58 0.46 -0.85 0.00 -0.73 0.00 0.00 179.01 177.31 3fa4 h ALA 254 N 1.59 0.66 0.00 2.92 0.00 -0.72 -2.87 119.26 120.84 3fa4 h ALA 254 Ca 0.44 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3fa4 h ALA 254 Cb 0.66 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3fa4 h ALA 254 CO -0.20 0.69 -0.56 0.52 0.00 0.00 0.00 179.25 179.70 3fa4 h MET 255 N 0.00 0.00 0.10 0.00 2.86 -0.62 -1.24 114.93 116.04 3fa4 h MET 255 Ca -0.06 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.29 3fa4 h MET 255 Cb 1.43 0.00 0.03 0.00 0.06 0.00 0.00 31.60 33.12 3fa4 h MET 255 CO 0.05 0.56 -1.18 0.93 1.06 0.00 0.00 176.91 178.34 3fa4 h GLU 256 N 0.00 0.62 0.17 1.72 4.39 -1.49 -1.51 114.58 118.48 3fa4 h GLU 256 Ca -0.01 -0.80 0.01 0.00 0.34 0.00 0.00 59.36 58.91 3fa4 h GLU 256 Cb 1.05 0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 29.92 3fa4 h GLU 256 CO 0.07 1.36 -0.35 -0.22 -1.16 0.00 0.00 179.01 178.71 3fa4 h LYS 257 N 0.25 -0.60 -0.41 2.33 3.64 -1.51 -2.66 116.57 117.62 3fa4 h LYS 257 Ca -0.18 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.32 3fa4 h LYS 257 Cb 1.85 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 33.74 3fa4 h LYS 257 CO 0.23 -0.40 -0.02 1.25 -2.27 0.00 0.00 179.45 178.24 3fa4 h LEU 258 N -0.62 -0.22 -1.29 5.20 5.85 -1.29 0.21 115.31 123.16 3fa4 h LEU 258 Ca 0.02 0.10 0.20 0.00 0.84 0.00 0.00 57.88 59.04 3fa4 h LEU 258 Cb 0.63 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.76 3fa4 h LEU 258 CO -0.18 -0.07 0.61 0.11 -0.34 0.00 0.00 178.44 178.58 3fa4 h LYS 259 N 0.08 0.55 0.04 1.25 1.79 -1.22 -1.13 116.57 117.93 3fa4 h LYS 259 Ca 0.20 -0.03 -0.38 0.00 -2.18 0.00 0.00 60.65 58.26 3fa4 h LYS 259 Cb 0.29 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.77 3fa4 h LYS 259 CO -0.36 0.36 -2.24 2.89 -1.08 0.00 0.00 179.45 179.03 3fa4 n ARG 260 N -4.62 0.68 0.09 3.15 1.85 -0.94 -4.53 116.66 112.33 3fa4 n ARG 260 Ca 0.22 0.23 -0.04 0.00 -1.00 0.00 0.00 57.85 57.26 3fa4 n ARG 260 Cb 0.66 -1.60 -0.07 0.00 -1.05 0.00 0.00 32.46 30.40 3fa4 n ARG 260 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3fa4 h ASP 261 N -0.15 0.00 0.00 2.89 3.32 -0.64 -3.48 116.42 118.35 3fa4 h ASP 261 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3fa4 h ASP 261 Cb 1.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.42 3fa4 h ASP 261 CO -0.07 0.83 0.00 0.61 -1.72 0.00 0.00 179.24 178.89 3fa4 n GLY 262 N 1.31 0.73 3.49 2.75 0.00 -0.43 -5.02 105.19 108.02 3fa4 n GLY 262 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 3fa4 n GLY 262 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fa4 s ILE 263 N -2.55 0.01 0.31 -0.61 2.07 -1.26 -5.06 121.20 114.12 3fa4 s ILE 263 Ca 0.00 -0.06 -0.00 0.00 -1.41 0.00 0.00 60.65 59.18 3fa4 s ILE 263 Cb 0.00 -0.91 0.27 0.00 0.13 0.00 0.00 42.46 41.95 3fa4 s ILE 263 CO 0.00 -0.03 1.96 -0.65 -1.91 0.00 0.00 174.94 174.30 3fa4 h PRO 264 N 3.88 1.01 -3.53 3.50 0.11 -1.93 -3.38 132.00 131.66 3fa4 h PRO 264 Ca -0.28 -0.06 -0.25 0.00 0.11 0.00 0.00 66.00 65.52 3fa4 h PRO 264 Cb 1.15 -0.23 0.06 0.00 0.11 0.00 0.00 31.00 32.10 3fa4 h PRO 264 CO 0.29 0.67 -0.41 0.41 -0.21 0.00 0.00 178.00 178.75 3fa4 n GLY 265 N -1.41 -0.03 3.77 -0.55 0.00 -1.26 -4.73 105.19 100.98 3fa4 n GLY 265 Ca 0.10 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 3fa4 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fa4 s LEU 266 N -4.68 3.98 0.49 0.99 1.43 -1.26 -5.02 118.68 114.61 3fa4 s LEU 266 Ca 0.28 2.28 -0.22 0.00 -1.03 0.00 0.00 54.13 55.44 3fa4 s LEU 266 Cb -0.12 -4.28 -0.08 0.00 0.03 0.00 0.00 46.19 41.74 3fa4 s LEU 266 CO 0.35 -0.94 1.11 0.47 0.23 0.00 0.00 176.35 177.57 3fa4 n ASP 267 N -0.57 1.66 0.30 2.29 8.00 -1.26 -4.86 116.55 122.11 3fa4 n ASP 267 Ca 0.08 0.98 0.18 0.00 0.71 0.00 0.00 54.79 56.73 3fa4 n ASP 267 Cb 0.48 -1.43 0.91 0.00 -0.02 0.00 0.00 41.12 41.06 3fa4 n ASP 267 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3fa4 h LYS 268 N 1.36 0.00 0.00 -1.24 1.57 -2.04 -0.68 116.57 115.54 3fa4 h LYS 268 Ca -0.47 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.18 3fa4 h LYS 268 Cb 1.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 3fa4 h LYS 268 CO 0.56 0.00 -0.60 0.93 -0.57 0.00 0.00 179.45 179.77 3fa4 h GLU 269 N 0.00 0.00 -2.48 3.15 4.39 -2.04 -3.34 114.58 114.25 3fa4 h GLU 269 Ca 0.03 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.56 3fa4 h GLU 269 Cb 0.52 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 3fa4 h GLU 269 CO -0.00 0.60 0.35 -1.33 -1.16 0.00 0.00 179.01 177.47 3fa4 n MET 270 N -3.69 1.48 -1.20 2.33 2.81 -0.26 -4.71 117.12 113.89 3fa4 n MET 270 Ca -0.01 -0.80 -0.29 0.00 -1.81 0.00 0.00 57.70 54.79 3fa4 n MET 270 Cb 0.63 -1.93 0.19 0.00 -0.71 0.00 0.00 33.22 31.40 3fa4 n MET 270 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3fa4 s THR 271 N 1.89 1.90 0.23 2.03 -4.23 -1.26 -4.96 115.64 111.25 3fa4 s THR 271 Ca 0.45 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.93 3fa4 s THR 271 Cb 0.20 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 71.54 3fa4 s THR 271 CO -0.01 0.00 1.63 -0.65 -0.54 0.00 0.00 174.62 175.05 3fa4 h PRO 272 N -2.05 0.66 0.00 3.99 0.11 -1.97 -3.22 132.00 129.53 3fa4 h PRO 272 Ca -0.52 -0.29 -0.02 0.00 0.11 0.00 0.00 66.00 65.28 3fa4 h PRO 272 Cb 1.32 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 3fa4 h PRO 272 CO 0.52 0.87 -0.10 -0.56 -0.21 0.00 0.00 178.00 178.52 3fa4 h GLN 273 N 0.57 0.00 -0.02 1.05 -0.00 -1.95 -2.58 115.11 112.18 3fa4 h GLN 273 Ca 0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.59 3fa4 h GLN 273 Cb 0.78 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.24 3fa4 h GLN 273 CO 0.06 0.10 -0.62 1.98 -0.00 0.00 0.00 178.83 180.35 3fa4 h MET 274 N 0.00 0.07 -0.25 0.06 4.05 -1.83 -2.33 114.93 114.69 3fa4 h MET 274 Ca -0.00 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.27 3fa4 h MET 274 Cb 0.66 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.47 3fa4 h MET 274 CO 0.01 0.67 -0.26 1.25 0.23 0.00 0.00 176.91 178.81 3fa4 h LEU 275 N 0.05 0.66 -1.24 3.39 6.46 -1.49 -2.31 115.31 120.83 3fa4 h LEU 275 Ca -0.01 -0.48 -0.03 0.00 -0.12 0.00 0.00 57.88 57.24 3fa4 h LEU 275 Cb 1.11 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 3fa4 h LEU 275 CO 0.09 1.00 0.14 -0.26 -0.62 0.00 0.00 178.44 178.79 3fa4 h PHE 276 N 0.33 0.67 -0.34 1.25 0.05 -1.59 0.39 116.94 117.71 3fa4 h PHE 276 Ca 0.04 -0.04 -0.05 0.00 3.82 0.00 0.00 57.97 61.74 3fa4 h PHE 276 Cb 0.82 -0.21 -0.01 0.00 2.00 0.00 0.00 35.95 38.55 3fa4 h PHE 276 CO 0.08 0.56 0.02 0.00 -0.18 0.00 0.00 178.31 178.78 3fa4 h ARG 277 N 0.66 0.60 -0.06 1.51 3.08 -1.38 0.25 114.38 119.03 3fa4 h ARG 277 Ca 0.15 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.04 3fa4 h ARG 277 Cb 0.20 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 3fa4 h ARG 277 CO -0.01 0.71 0.06 0.28 -1.07 0.00 0.00 179.97 179.93 3fa4 h VAL 278 N 0.41 0.71 -0.61 2.04 2.07 -0.96 -2.64 116.25 117.27 3fa4 h VAL 278 Ca 0.10 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.51 3fa4 h VAL 278 Cb 0.43 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 3fa4 h VAL 278 CO 0.01 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.74 3fa4 n GLY 280 N 0.04 0.63 0.35 0.00 0.00 -0.91 -4.94 105.19 100.36 3fa4 n GLY 280 Ca 0.34 -0.80 0.18 0.00 0.00 0.00 0.00 46.02 45.74 3fa4 n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fa4 h LEU 281 N 0.00 0.65 -0.54 0.99 5.85 -0.70 -1.05 115.31 120.51 3fa4 h LEU 281 Ca -0.11 0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 3fa4 h LEU 281 Cb 0.50 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3fa4 h LEU 281 CO 0.15 0.09 -0.36 0.44 -0.34 0.00 0.00 178.44 178.42 3fa4 h ASP 282 N 0.55 0.84 0.44 1.25 3.32 -1.86 -1.08 116.42 119.87 3fa4 h ASP 282 Ca 0.65 -0.36 -0.14 0.00 0.02 0.00 0.00 57.03 57.20 3fa4 h ASP 282 Cb 1.28 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 3fa4 h ASP 282 CO -0.47 1.11 -0.60 -0.33 -1.72 0.00 0.00 179.24 177.22 3fa4 h GLU 283 N 0.66 0.17 0.00 3.56 3.07 -1.88 -2.75 114.58 117.40 3fa4 h GLU 283 Ca 0.06 -0.11 -0.08 0.00 -0.50 0.00 0.00 59.36 58.72 3fa4 h GLU 283 Cb 0.91 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.82 3fa4 h GLU 283 CO 0.08 0.72 -0.40 0.77 -1.40 0.00 0.00 179.01 178.78 3fa4 h SER 284 N 0.12 0.00 1.26 1.42 0.02 -0.70 -1.95 113.55 113.72 3fa4 h SER 284 Ca -0.01 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 3fa4 h SER 284 Cb 1.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 3fa4 h SER 284 CO 0.09 0.40 -0.77 0.24 -1.14 0.00 0.00 176.83 175.65 3fa4 h MET 285 N 0.00 0.00 -0.02 3.45 2.86 -1.29 -2.53 114.93 117.40 3fa4 h MET 285 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fa4 h MET 285 Cb 0.72 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 3fa4 h MET 285 CO 0.05 0.33 0.01 0.87 1.06 0.00 0.00 176.91 179.23 3fa4 h LYS 286 N 0.00 0.02 -0.87 1.72 1.57 -1.31 0.80 116.57 118.50 3fa4 h LYS 286 Ca -0.05 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.81 3fa4 h LYS 286 Cb 1.36 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.59 3fa4 h LYS 286 CO 0.05 0.14 0.52 0.28 -0.57 0.00 0.00 179.45 179.87 3fa4 h VAL 287 N -0.10 0.96 -0.17 0.50 2.07 -1.45 -1.25 116.25 116.81 3fa4 h VAL 287 Ca 0.01 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 3fa4 h VAL 287 Cb 0.12 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3fa4 h VAL 287 CO -0.00 0.16 -0.04 -0.78 0.02 0.00 0.00 177.57 176.93 3fa4 h ASP 288 N 0.89 0.32 -0.40 0.57 1.82 -1.41 -3.20 116.42 115.02 3fa4 h ASP 288 Ca 0.41 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 3fa4 h ASP 288 Cb 0.32 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.22 3fa4 h ASP 288 CO -0.22 0.62 0.26 0.00 -1.61 0.00 0.00 179.24 178.29 3fa4 h ALA 289 N 0.71 0.50 -0.57 -0.78 0.00 -0.40 -2.69 119.26 116.04 3fa4 h ALA 289 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fa4 h ALA 289 Cb 0.48 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3fa4 h ALA 289 CO 0.02 -0.04 0.35 1.96 0.00 0.00 0.00 179.25 181.53 3fa4 h GLN 290 N 0.54 0.76 0.00 0.00 4.20 -1.34 -2.45 115.11 116.81 3fa4 h GLN 290 Ca 0.15 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3fa4 h GLN 290 Cb -0.06 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.55 3fa4 h GLN 290 CO -0.03 0.53 -0.09 0.00 -0.67 0.00 0.00 178.83 178.57 3fa4 h ALA 291 N 1.61 1.15 0.00 3.87 0.00 -1.47 -3.52 119.26 120.90 3fa4 h ALA 291 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3fa4 h ALA 291 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3fa4 h ALA 291 CO -0.04 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.73