#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 4.14 0.01 0.54 -1.94 -1.26 -5.08 119.30 115.72 3fa4 s MET 3 Ca 0.00 0.95 0.04 0.00 -1.71 0.00 0.00 55.69 54.97 3fa4 s MET 3 Cb 0.00 -2.27 -0.01 0.00 2.01 0.00 0.00 34.83 34.56 3fa4 s MET 3 CO 0.00 0.03 -0.13 0.54 -0.01 0.00 0.00 175.02 175.45 3fa4 s VAL 4 N -2.12 1.04 0.10 -6.03 0.11 -1.26 -5.15 120.40 107.09 3fa4 s VAL 4 Ca 0.59 -0.72 0.07 0.00 -2.93 0.00 0.00 61.98 58.98 3fa4 s VAL 4 Cb -0.09 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 3fa4 s VAL 4 CO 0.15 0.17 -0.08 0.28 -3.33 0.00 0.00 175.10 172.29 3fa4 s THR 5 N -0.52 3.48 -0.36 5.04 -1.32 -1.26 -4.99 115.64 115.70 3fa4 s THR 5 Ca 0.03 -1.20 0.19 0.00 -1.21 0.00 0.00 61.69 59.51 3fa4 s THR 5 Cb -0.06 -2.62 0.19 0.00 -1.51 0.00 0.00 72.50 68.50 3fa4 s THR 5 CO 0.00 0.13 1.59 0.00 -2.21 0.00 0.00 174.62 174.13 3fa4 n ALA 6 N 0.73 1.16 -0.09 11.08 0.00 -1.25 -2.60 120.51 129.54 3fa4 n ALA 6 Ca -0.13 0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 3fa4 n ALA 6 Cb 0.52 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3fa4 n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa4 h ALA 7 N 2.06 0.28 -0.02 0.00 0.00 -1.79 -1.64 119.26 118.14 3fa4 h ALA 7 Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3fa4 h ALA 7 Cb 0.07 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3fa4 h ALA 7 CO 0.00 -0.41 -0.15 1.15 0.00 0.00 0.00 179.25 179.84 3fa4 h THR 8 N 0.08 0.64 -0.74 0.00 2.02 -1.70 -0.33 112.91 112.87 3fa4 h THR 8 Ca 0.16 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.28 3fa4 h THR 8 Cb 0.21 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 3fa4 h THR 8 CO -0.27 0.00 0.24 0.77 0.37 0.00 0.00 175.52 176.63 3fa4 h SER 9 N -0.23 1.06 0.48 4.18 4.64 -1.67 -2.19 113.55 119.80 3fa4 h SER 9 Ca 0.06 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 3fa4 h SER 9 Cb 0.31 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3fa4 h SER 9 CO -0.16 0.98 -0.34 0.25 -0.87 0.00 0.00 176.83 176.69 3fa4 h LEU 10 N 1.08 -0.87 -1.04 5.97 5.85 -1.22 -0.30 115.31 124.79 3fa4 h LEU 10 Ca 0.24 0.06 0.27 0.00 0.84 0.00 0.00 57.88 59.29 3fa4 h LEU 10 Cb 0.29 0.27 -0.13 0.00 0.37 0.00 0.00 40.66 41.46 3fa4 h LEU 10 CO -0.01 -0.51 0.60 -0.09 -0.34 0.00 0.00 178.44 178.09 3fa4 h ARG 11 N -0.79 0.47 -0.10 1.25 2.43 -0.97 -0.67 114.38 116.00 3fa4 h ARG 11 Ca -0.05 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 58.89 3fa4 h ARG 11 Cb 0.67 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3fa4 h ARG 11 CO 0.02 0.31 -0.76 0.00 -1.51 0.00 0.00 179.97 178.03 3fa4 h ARG 12 N 0.49 0.55 -0.68 0.20 3.08 -1.19 -3.05 114.38 113.78 3fa4 h ARG 12 Ca 0.67 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3fa4 h ARG 12 Cb 1.40 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.51 3fa4 h ARG 12 CO -0.50 1.08 0.44 0.00 -1.07 0.00 0.00 179.97 179.93 3fa4 h ALA 13 N 0.78 0.86 0.00 0.04 0.00 0.44 -2.65 119.26 118.73 3fa4 h ALA 13 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3fa4 h ALA 13 Cb 1.36 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3fa4 h ALA 13 CO 0.14 0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.97 3fa4 n LEU 14 N -4.60 0.79 0.11 0.00 4.77 -0.72 -2.14 117.00 115.20 3fa4 n LEU 14 Ca 0.06 0.62 -0.17 0.00 -0.03 0.00 0.00 56.01 56.49 3fa4 n LEU 14 Cb 0.03 -0.43 -0.14 0.00 -2.33 0.00 0.00 43.42 40.54 3fa4 n LEU 14 CO 0.36 -0.37 -0.06 -0.33 -1.33 0.00 0.00 177.39 175.66 3fa4 h GLU 15 N 0.00 0.31 -6.57 3.23 5.08 -1.39 -3.44 114.58 111.80 3fa4 h GLU 15 Ca 0.00 -0.52 -0.56 0.00 -1.00 0.00 0.00 59.36 57.29 3fa4 h GLU 15 Cb 0.58 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.95 3fa4 h GLU 15 CO 0.00 1.24 1.01 1.21 -1.00 0.00 0.00 179.01 181.48 3fa4 s ASN 16 N -7.20 6.40 0.00 1.42 3.84 -0.91 -4.90 114.94 113.59 3fa4 s ASN 16 Ca -0.05 0.39 0.00 0.00 0.21 0.00 0.00 52.86 53.41 3fa4 s ASN 16 Cb 0.07 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.22 3fa4 s ASN 16 CO 0.89 -1.47 0.53 -2.65 -2.79 0.00 0.00 177.10 171.61 3fa4 n PRO 17 N 8.27 0.57 0.00 0.43 -0.02 -1.26 -2.09 135.00 140.89 3fa4 n PRO 17 Ca 0.12 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.70 3fa4 n PRO 17 Cb 0.49 -1.04 0.08 0.00 -0.02 0.00 0.00 33.50 33.00 3fa4 n PRO 17 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3fa4 n ASP 18 N -0.39 2.67 -4.82 2.55 10.43 -1.26 -4.98 116.55 120.74 3fa4 n ASP 18 Ca 0.00 -1.83 -0.36 0.00 2.57 0.00 0.00 54.79 55.17 3fa4 n ASP 18 Cb 0.02 0.02 -0.06 0.00 1.84 0.00 0.00 41.12 42.94 3fa4 n ASP 18 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3fa4 s SER 19 N -1.73 6.98 -0.07 -2.24 0.01 -0.89 -5.06 113.70 110.70 3fa4 s SER 19 Ca 0.24 1.33 -0.01 0.00 1.31 0.00 0.00 55.95 58.82 3fa4 s SER 19 Cb 0.17 -2.38 0.03 0.00 0.21 0.00 0.00 66.02 64.04 3fa4 s SER 19 CO 0.27 0.03 -0.02 0.12 0.41 0.00 0.00 173.24 174.04 3fa4 s PHE 20 N -1.54 0.83 -0.17 2.43 5.36 -1.26 -4.84 117.98 118.78 3fa4 s PHE 20 Ca 0.43 -0.27 -0.16 0.00 -0.96 0.00 0.00 56.93 55.96 3fa4 s PHE 20 Cb -0.16 -0.85 -0.04 0.00 -0.34 0.00 0.00 43.02 41.63 3fa4 s PHE 20 CO 0.20 -0.33 0.38 0.42 -1.46 0.00 0.00 175.22 174.44 3fa4 s ILE 21 N 1.69 5.23 -0.30 3.12 1.09 0.74 -5.01 121.20 127.76 3fa4 s ILE 21 Ca 0.01 0.71 0.01 0.00 -1.10 0.00 0.00 60.65 60.28 3fa4 s ILE 21 Cb -0.13 -3.72 0.07 0.00 -1.06 0.00 0.00 42.46 37.62 3fa4 s ILE 21 CO -0.05 0.31 -0.01 -0.69 -0.10 0.00 0.00 174.94 174.40 3fa4 s VAL 22 N 0.93 2.63 -0.31 2.92 1.01 -1.26 -1.37 120.40 124.95 3fa4 s VAL 22 Ca 0.20 -1.69 0.03 0.00 0.00 0.00 0.00 61.98 60.51 3fa4 s VAL 22 Cb -0.14 -2.62 0.09 0.00 0.00 0.00 0.00 36.38 33.71 3fa4 s VAL 22 CO 0.07 -0.22 0.02 0.00 0.00 0.00 0.00 175.10 174.97 3fa4 s ALA 23 N 1.13 2.57 0.54 5.51 0.00 -0.52 -3.95 121.76 127.03 3fa4 s ALA 23 Ca -0.03 -2.17 -0.16 0.00 0.00 0.00 0.00 51.96 49.60 3fa4 s ALA 23 Cb -0.20 -1.80 -0.07 0.00 0.00 0.00 0.00 23.12 21.05 3fa4 s ALA 23 CO -0.04 -1.55 1.01 -1.25 0.00 0.00 0.00 175.76 173.94 3fa4 s PRO 24 N 1.08 3.74 -0.12 0.00 0.04 -1.26 -1.56 135.00 136.92 3fa4 s PRO 24 Ca 0.05 1.05 -0.21 0.00 0.04 0.00 0.00 61.00 61.93 3fa4 s PRO 24 Cb -0.19 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 3fa4 s PRO 24 CO -0.09 -0.45 0.62 0.20 0.04 0.00 0.00 177.00 177.32 3fa4 s GLY 25 N -2.93 2.39 0.07 0.56 0.00 0.11 -1.17 107.32 106.34 3fa4 s GLY 25 Ca 0.61 -0.07 0.05 0.00 0.00 0.00 0.00 44.72 45.31 3fa4 s GLY 25 CO 0.32 1.11 -0.14 -1.34 0.00 0.00 0.00 173.10 173.06 3fa4 s VAL 26 N 1.09 1.07 0.00 1.40 -7.23 0.54 -3.53 120.40 113.73 3fa4 s VAL 26 Ca 0.32 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 3fa4 s VAL 26 Cb -0.16 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.75 3fa4 s VAL 26 CO 0.14 -0.22 0.21 0.00 -0.31 0.00 0.00 175.10 174.92 3fa4 n TYR 27 N 1.35 0.00 -3.64 2.82 4.11 -1.26 -2.39 117.16 118.16 3fa4 n TYR 27 Ca -0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.66 3fa4 n TYR 27 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.90 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 -0.20 -1.17 0.12 9.48 5.75 -1.26 -4.52 116.55 124.75 3fa4 n ASP 28 Ca 0.00 -1.69 -0.01 0.00 -0.01 0.00 0.00 54.79 53.09 3fa4 n ASP 28 Cb 0.06 1.91 0.26 0.00 -1.03 0.00 0.00 41.12 42.33 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 1.19 0.17 0.45 6.12 0.00 -1.98 -2.57 103.07 106.45 3fa4 h GLY 29 Ca -0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3fa4 h GLY 29 CO 0.23 0.14 -0.13 1.41 0.00 0.00 0.00 176.54 178.19 3fa4 h LEU 30 N 0.13 -0.31 -1.78 3.11 3.38 -1.99 -2.27 115.31 115.57 3fa4 h LEU 30 Ca 0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3fa4 h LEU 30 Cb 0.77 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3fa4 h LEU 30 CO 0.06 0.16 0.12 0.77 0.09 0.00 0.00 178.44 179.64 3fa4 h SER 31 N -0.93 0.23 -0.13 -0.43 4.64 -1.97 -2.22 113.55 112.73 3fa4 h SER 31 Ca -0.04 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3fa4 h SER 31 Cb 0.50 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3fa4 h SER 31 CO 0.06 0.18 0.08 0.00 -0.87 0.00 0.00 176.83 176.28 3fa4 h ALA 32 N 1.86 0.16 -0.32 5.18 0.00 -1.37 -0.73 119.26 124.04 3fa4 h ALA 32 Ca 0.07 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3fa4 h ALA 32 Cb -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3fa4 h ALA 32 CO -0.01 -0.34 0.12 0.00 0.00 0.00 0.00 179.25 179.02 3fa4 h ARG 33 N 0.15 0.26 -0.30 0.00 2.47 -1.32 0.11 114.38 115.75 3fa4 h ARG 33 Ca 0.05 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.71 3fa4 h ARG 33 Cb 0.01 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 3fa4 h ARG 33 CO -0.01 0.17 0.05 0.28 0.56 0.00 0.00 179.97 181.02 3fa4 h VAL 34 N 0.26 1.23 -0.57 2.04 2.07 -1.36 -1.35 116.25 118.59 3fa4 h VAL 34 Ca 0.14 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3fa4 h VAL 34 Cb 0.10 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3fa4 h VAL 34 CO -0.14 0.26 0.35 0.00 0.02 0.00 0.00 177.57 178.06 3fa4 h ALA 35 N 0.88 0.72 -0.35 1.67 0.00 -1.03 -1.48 119.26 119.66 3fa4 h ALA 35 Ca 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3fa4 h ALA 35 Cb 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3fa4 h ALA 35 CO 0.01 0.20 0.14 -0.07 0.00 0.00 0.00 179.25 179.52 3fa4 h LEU 36 N 0.76 0.49 -2.56 0.00 -0.00 -0.72 -2.80 115.31 110.48 3fa4 h LEU 36 Ca 0.20 -0.17 -0.00 0.00 -0.00 0.00 0.00 57.88 57.91 3fa4 h LEU 36 Cb -0.03 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 40.51 3fa4 h LEU 36 CO -0.04 0.53 -0.01 0.28 -0.00 0.00 0.00 178.44 179.20 3fa4 h SER 37 N 0.43 0.00 0.50 -0.43 0.02 -1.16 -0.93 113.55 111.97 3fa4 h SER 37 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3fa4 h SER 37 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3fa4 h SER 37 CO -0.01 0.01 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3fa4 n ALA 38 N -2.13 2.26 0.00 3.77 0.00 -0.57 -4.90 120.51 118.94 3fa4 n ALA 38 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3fa4 n ALA 38 Cb 0.13 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 0.86 0.74 3.74 0.00 0.00 -0.35 -5.08 105.19 105.09 3fa4 n GLY 39 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 2.19 0.00 1.61 0.40 -1.22 -4.95 117.98 114.00 3fa4 s PHE 40 Ca 0.00 1.51 0.00 0.00 -0.60 0.00 0.00 56.93 57.84 3fa4 s PHE 40 Cb 0.00 -3.59 0.00 0.00 0.51 0.00 0.00 43.02 39.94 3fa4 s PHE 40 CO 0.00 -2.62 0.69 -0.25 0.70 0.00 0.00 175.22 173.74 3fa4 n ASP 41 N -1.90 1.27 -4.01 1.36 8.00 -1.26 -4.74 116.55 115.27 3fa4 n ASP 41 Ca 0.15 -1.47 -0.08 0.00 0.71 0.00 0.00 54.79 54.10 3fa4 n ASP 41 Cb 0.49 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.49 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 -0.47 0.22 0.13 2.24 0.00 -1.25 -4.06 121.76 118.57 3fa4 s ALA 42 Ca 0.00 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.21 3fa4 s ALA 42 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3fa4 s ALA 42 CO 0.00 -0.28 -0.15 -0.51 0.00 0.00 0.00 175.76 174.82 3fa4 s LEU 43 N -2.17 2.41 -0.19 0.00 1.43 -0.62 -4.12 118.68 115.41 3fa4 s LEU 43 Ca -0.05 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.24 3fa4 s LEU 43 Cb -0.01 -0.63 0.04 0.00 0.03 0.00 0.00 46.19 45.62 3fa4 s LEU 43 CO -0.05 -0.11 -0.10 -0.47 0.23 0.00 0.00 176.35 175.85 3fa4 s TYR 44 N -2.09 2.30 -0.53 0.29 5.04 -0.32 -0.30 117.35 121.74 3fa4 s TYR 44 Ca 0.11 -1.50 -0.27 0.00 -2.44 0.00 0.00 57.07 52.96 3fa4 s TYR 44 Cb -0.05 -1.59 0.03 0.00 0.35 0.00 0.00 41.96 40.70 3fa4 s TYR 44 CO 0.04 -0.72 1.07 1.41 -1.34 0.00 0.00 175.55 176.01 3fa4 s MET 45 N 1.43 3.51 -0.09 4.97 -2.45 0.35 -0.34 119.30 126.69 3fa4 s MET 45 Ca -0.01 0.17 -0.30 0.00 -1.25 0.00 0.00 55.69 54.31 3fa4 s MET 45 Cb -0.16 -3.99 -0.02 0.00 1.25 0.00 0.00 34.83 31.91 3fa4 s MET 45 CO -0.08 -1.49 1.15 -0.08 1.05 0.00 0.00 175.02 175.57 3fa4 s THR 46 N 4.39 4.42 0.35 10.11 -1.32 -1.00 -1.80 115.64 130.78 3fa4 s THR 46 Ca 0.40 1.72 0.10 0.00 -1.21 0.00 0.00 61.69 62.70 3fa4 s THR 46 Cb -0.09 -4.11 0.08 0.00 -1.51 0.00 0.00 72.50 66.87 3fa4 s THR 46 CO 0.25 -0.03 1.79 1.23 -2.21 0.00 0.00 174.62 175.66 3fa4 h GLY 47 N 8.40 0.11 1.39 6.08 0.00 -1.91 -1.84 103.07 115.30 3fa4 h GLY 47 Ca -0.31 -0.09 -0.18 0.00 0.00 0.00 0.00 47.33 46.75 3fa4 h GLY 47 CO 0.89 0.08 -0.60 0.00 0.00 0.00 0.00 176.54 176.92 3fa4 h ALA 48 N 1.54 0.60 0.03 3.60 0.00 -1.97 -1.66 119.26 121.40 3fa4 h ALA 48 Ca 0.01 -0.53 -0.22 0.00 0.00 0.00 0.00 54.91 54.16 3fa4 h ALA 48 Cb 0.69 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3fa4 h ALA 48 CO 0.05 0.70 -1.04 0.78 0.00 0.00 0.00 179.25 179.74 3fa4 h GLY 49 N 0.96 0.09 0.84 0.00 0.00 -1.91 -2.88 103.07 100.17 3fa4 h GLY 49 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3fa4 h GLY 49 CO 0.12 0.19 -0.31 -0.84 0.00 0.00 0.00 176.54 175.70 3fa4 h THR 50 N 0.02 0.35 -1.11 4.70 2.02 -1.28 0.13 112.91 117.76 3fa4 h THR 50 Ca -0.04 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.44 3fa4 h THR 50 Cb 1.78 0.35 -0.10 0.00 -1.74 0.00 0.00 68.15 68.45 3fa4 h THR 50 CO 0.15 0.00 0.72 0.00 0.37 0.00 0.00 175.52 176.75 3fa4 h ALA 51 N -0.32 2.38 0.18 6.16 0.00 -1.37 0.84 119.26 127.13 3fa4 h ALA 51 Ca -0.05 0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 3fa4 h ALA 51 Cb 0.63 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.52 3fa4 h ALA 51 CO 0.04 -0.84 -1.19 0.00 0.00 0.00 0.00 179.25 177.26 3fa4 h ALA 52 N 1.61 -0.05 0.11 0.00 0.00 -1.23 -2.40 119.26 117.29 3fa4 h ALA 52 Ca 0.64 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3fa4 h ALA 52 Cb 1.78 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3fa4 h ALA 52 CO -0.31 0.60 -0.05 1.03 0.00 0.00 0.00 179.25 180.52 3fa4 h SER 53 N -0.17 -0.12 0.96 0.00 0.87 -0.81 -0.53 113.55 113.76 3fa4 h SER 53 Ca -0.22 -0.42 -0.17 0.00 -1.23 0.00 0.00 61.79 59.75 3fa4 h SER 53 Cb 1.86 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.83 3fa4 h SER 53 CO 0.18 0.40 -0.79 -0.37 -0.53 0.00 0.00 176.83 175.72 3fa4 h VAL 54 N -0.70 1.47 0.00 2.23 -1.51 -1.00 -3.38 116.25 113.36 3fa4 h VAL 54 Ca -0.01 -2.79 0.00 0.00 -1.23 0.00 0.00 66.70 62.66 3fa4 h VAL 54 Cb 0.54 2.55 0.00 0.00 -2.13 0.00 0.00 31.29 32.24 3fa4 h VAL 54 CO 0.02 0.77 -0.07 1.41 -1.23 0.00 0.00 177.57 178.48 3fa4 n HIS 55 N -3.46 0.00 -3.06 5.19 8.25 -1.03 -5.02 115.22 116.10 3fa4 n HIS 55 Ca -0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 3fa4 n HIS 55 Cb 0.80 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.93 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 0.97 -0.51 3.29 -1.41 0.00 -0.21 -4.95 105.19 102.36 3fa4 n GLY 56 Ca 0.00 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 3fa4 n GLY 56 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fa4 s GLN 57 N -5.73 1.15 0.93 1.61 -1.52 -0.94 -4.98 119.66 110.18 3fa4 s GLN 57 Ca 0.30 -1.30 -0.11 0.00 -1.95 0.00 0.00 55.36 52.31 3fa4 s GLN 57 Cb -0.14 -1.16 0.15 0.00 -0.22 0.00 0.00 33.01 31.64 3fa4 s GLN 57 CO 0.37 0.24 1.11 0.00 -0.25 0.00 0.00 175.29 176.76 3fa4 s ALA 58 N -1.95 1.31 -1.29 6.09 0.00 -1.26 -3.41 121.76 121.23 3fa4 s ALA 58 Ca 0.11 0.36 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 3fa4 s ALA 58 Cb -0.06 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.70 3fa4 s ALA 58 CO 0.05 -2.73 2.06 -3.47 0.00 0.00 0.00 175.76 171.67 3fa4 n ASP 59 N -4.19 3.81 -1.60 0.00 4.64 -1.26 -4.70 116.55 113.25 3fa4 n ASP 59 Ca 0.10 -2.82 -0.05 0.00 -1.38 0.00 0.00 54.79 50.63 3fa4 n ASP 59 Cb 0.53 -1.59 0.25 0.00 -1.04 0.00 0.00 41.12 39.27 3fa4 n ASP 59 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3fa4 n LEU 60 N 7.26 5.26 -2.69 -2.67 4.77 -1.26 -4.93 117.00 122.74 3fa4 n LEU 60 Ca 0.51 -3.37 -0.20 0.00 -0.03 0.00 0.00 56.01 52.91 3fa4 n LEU 60 Cb 0.41 -0.69 0.03 0.00 -2.33 0.00 0.00 43.42 40.83 3fa4 n LEU 60 CO 0.89 0.93 -0.05 0.61 -1.33 0.00 0.00 177.39 178.43 3fa4 n GLY 61 N -0.60 -0.43 0.15 -0.72 0.00 -1.26 -4.99 105.19 97.34 3fa4 n GLY 61 Ca 0.38 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 3fa4 n GLY 61 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fa4 h ILE 62 N -1.04 1.37 -4.06 -0.61 1.08 -1.92 -3.47 117.51 108.86 3fa4 h ILE 62 Ca -0.49 -2.45 -0.52 0.00 -0.39 0.00 0.00 64.86 61.01 3fa4 h ILE 62 Cb 1.34 2.87 0.09 0.00 -3.07 0.00 0.00 36.82 38.05 3fa4 h ILE 62 CO 0.53 0.73 0.48 0.00 -0.69 0.00 0.00 178.15 179.20 3fa4 s THR 64 N -1.59 3.92 0.16 0.00 2.01 -1.26 -4.97 115.64 113.91 3fa4 s THR 64 Ca 0.72 -1.42 -0.17 0.00 0.31 0.00 0.00 61.69 61.14 3fa4 s THR 64 Cb -0.29 -3.26 0.04 0.00 0.01 0.00 0.00 72.50 69.00 3fa4 s THR 64 CO 0.33 -0.26 1.71 0.25 -0.69 0.00 0.00 174.62 175.97 3fa4 h LEU 65 N 1.39 -0.08 -0.92 4.42 5.85 -1.96 -1.74 115.31 122.27 3fa4 h LEU 65 Ca -0.46 0.07 0.21 0.00 0.84 0.00 0.00 57.88 58.54 3fa4 h LEU 65 Cb 1.25 0.12 -0.17 0.00 0.37 0.00 0.00 40.66 42.22 3fa4 h LEU 65 CO 0.60 -0.00 -0.11 0.78 -0.34 0.00 0.00 178.44 179.37 3fa4 h ASN 66 N 0.14 -0.65 0.04 1.25 4.21 -1.97 0.74 115.58 119.33 3fa4 h ASN 66 Ca 0.17 0.27 -0.00 0.00 1.21 0.00 0.00 56.30 57.95 3fa4 h ASN 66 Cb 0.22 0.51 0.00 0.00 -1.12 0.00 0.00 38.32 37.93 3fa4 h ASN 66 CO -0.26 -0.30 -0.02 0.44 -1.29 0.00 0.00 177.43 175.99 3fa4 h ASP 67 N 0.02 -0.05 -0.13 5.81 3.32 -1.74 -2.08 116.42 121.57 3fa4 h ASP 67 Ca 0.49 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 3fa4 h ASP 67 Cb 0.88 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 3fa4 h ASP 67 CO -0.90 0.19 -0.12 0.24 -1.72 0.00 0.00 179.24 176.93 3fa4 h MET 68 N -0.29 0.31 -0.80 3.56 2.86 -1.10 -2.38 114.93 117.09 3fa4 h MET 68 Ca -0.01 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3fa4 h MET 68 Cb 0.27 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 3fa4 h MET 68 CO 0.01 0.70 0.52 -0.09 1.06 0.00 0.00 176.91 179.11 3fa4 h ARG 69 N -0.07 1.03 -0.09 1.72 1.12 -0.96 0.45 114.38 117.58 3fa4 h ARG 69 Ca 0.02 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.82 3fa4 h ARG 69 Cb 0.64 -0.23 -0.00 0.00 -0.01 0.00 0.00 29.97 30.36 3fa4 h ARG 69 CO 0.03 0.68 0.01 0.00 -3.11 0.00 0.00 179.97 177.58 3fa4 h ALA 70 N 1.30 0.12 -0.13 2.80 0.00 -1.34 -1.97 119.26 120.04 3fa4 h ALA 70 Ca 0.30 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3fa4 h ALA 70 Cb -0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3fa4 h ALA 70 CO -0.08 -0.22 0.02 -0.97 0.00 0.00 0.00 179.25 178.00 3fa4 h ASN 71 N -0.09 -0.01 -0.94 0.00 -1.24 -1.29 -1.94 115.58 110.07 3fa4 h ASN 71 Ca 0.03 0.02 0.05 0.00 0.71 0.00 0.00 56.30 57.11 3fa4 h ASN 71 Cb 0.30 0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.32 3fa4 h ASN 71 CO 0.00 0.02 0.60 0.00 -1.29 0.00 0.00 177.43 176.76 3fa4 h ALA 72 N 1.10 1.27 -0.02 1.57 0.00 -0.95 -1.89 119.26 120.35 3fa4 h ALA 72 Ca 0.06 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3fa4 h ALA 72 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3fa4 h ALA 72 CO -0.09 0.41 -0.62 1.49 0.00 0.00 0.00 179.25 180.45 3fa4 h GLU 73 N 1.12 0.07 0.36 0.00 4.81 -1.15 -1.02 114.58 118.76 3fa4 h GLU 73 Ca 0.39 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 3fa4 h GLU 73 Cb 0.10 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3fa4 h GLU 73 CO -0.15 0.67 -0.17 1.98 -0.73 0.00 0.00 179.01 180.60 3fa4 h MET 74 N 0.05 -0.46 -0.76 1.92 4.05 -1.25 -2.96 114.93 115.51 3fa4 h MET 74 Ca -0.01 0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.53 3fa4 h MET 74 Cb 1.11 0.11 -0.07 0.00 -0.80 0.00 0.00 31.60 31.95 3fa4 h MET 74 CO 0.09 -0.15 0.42 0.82 0.23 0.00 0.00 176.91 178.32 3fa4 h ILE 75 N -0.92 0.92 -0.56 1.77 2.04 -1.39 -2.37 117.51 117.00 3fa4 h ILE 75 Ca -0.05 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.62 3fa4 h ILE 75 Cb 0.53 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3fa4 h ILE 75 CO 0.08 0.13 0.37 0.28 0.00 0.00 0.00 178.15 179.02 3fa4 h SER 76 N 0.74 0.45 -0.01 1.72 0.02 -1.23 -2.86 113.55 112.37 3fa4 h SER 76 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3fa4 h SER 76 Cb 0.30 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3fa4 h SER 76 CO -0.23 0.29 -0.20 0.59 -1.14 0.00 0.00 176.83 176.14 3fa4 n ASN 77 N -4.47 2.45 0.06 3.07 3.02 -0.95 -3.62 115.26 114.80 3fa4 n ASN 77 Ca 0.08 -1.73 -0.14 0.00 -0.03 0.00 0.00 54.58 52.76 3fa4 n ASN 77 Cb 0.25 0.19 -0.07 0.00 -0.61 0.00 0.00 39.78 39.54 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 3.54 0.12 -2.95 2.41 1.08 -1.19 -3.37 117.51 117.15 3fa4 h ILE 78 Ca 0.00 0.00 -0.61 0.00 -0.39 0.00 0.00 64.86 63.86 3fa4 h ILE 78 Cb 0.85 0.12 -0.40 0.00 -3.07 0.00 0.00 36.82 34.33 3fa4 h ILE 78 CO 0.00 0.00 -0.73 -0.55 -0.69 0.00 0.00 178.15 176.18 3fa4 s SER 79 N -4.79 3.62 0.12 1.72 0.15 -1.26 -5.04 113.70 108.22 3fa4 s SER 79 Ca -0.16 -2.98 0.11 0.00 0.70 0.00 0.00 55.95 53.62 3fa4 s SER 79 Cb 0.08 -1.12 0.54 0.00 -1.71 0.00 0.00 66.02 63.81 3fa4 s SER 79 CO 0.63 -0.21 1.34 -2.65 1.20 0.00 0.00 173.24 173.55 3fa4 n PRO 80 N 3.07 0.06 0.01 5.44 -0.02 -1.24 -1.63 135.00 140.70 3fa4 n PRO 80 Ca 0.14 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 62.22 3fa4 n PRO 80 Cb 0.36 -1.67 -0.05 0.00 -0.02 0.00 0.00 33.50 32.12 3fa4 n PRO 80 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3fa4 n SER 81 N -1.79 0.62 -4.64 2.55 3.41 -1.26 -3.90 113.62 108.60 3fa4 n SER 81 Ca 0.00 -0.44 -0.43 0.00 -0.26 0.00 0.00 58.87 57.75 3fa4 n SER 81 Cb 0.06 1.07 -0.03 0.00 -0.26 0.00 0.00 64.21 65.06 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 -3.18 4.65 0.24 6.66 2.01 -0.65 -4.78 115.64 120.59 3fa4 s THR 82 Ca 0.03 1.67 -0.30 0.00 0.31 0.00 0.00 61.69 63.41 3fa4 s THR 82 Cb 0.15 -4.29 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 3fa4 s THR 82 CO 0.84 -0.30 1.21 -2.16 -0.69 0.00 0.00 174.62 173.52 3fa4 s PRO 83 N 3.29 4.49 -0.20 4.92 0.04 -1.26 -4.85 135.00 141.43 3fa4 s PRO 83 Ca 0.41 1.95 -0.05 0.00 0.04 0.00 0.00 61.00 63.35 3fa4 s PRO 83 Cb -0.14 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 3fa4 s PRO 83 CO 0.11 -0.06 -0.01 0.08 0.04 0.00 0.00 177.00 177.17 3fa4 s VAL 84 N -0.53 3.90 -0.22 -0.36 1.01 -1.26 -1.59 120.40 121.36 3fa4 s VAL 84 Ca 0.51 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 62.00 3fa4 s VAL 84 Cb -0.35 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 3fa4 s VAL 84 CO 0.41 0.43 0.36 -0.63 0.00 0.00 0.00 175.10 175.67 3fa4 s ILE 85 N 1.02 5.22 -0.02 2.22 1.01 0.59 -1.60 121.20 129.63 3fa4 s ILE 85 Ca 0.02 0.61 0.07 0.00 0.00 0.00 0.00 60.65 61.35 3fa4 s ILE 85 Cb -0.14 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 3fa4 s ILE 85 CO 0.02 0.25 -0.24 0.00 0.00 0.00 0.00 174.94 174.96 3fa4 s ALA 86 N 1.40 2.01 0.29 9.38 0.00 -0.75 -0.49 121.76 133.59 3fa4 s ALA 86 Ca 0.17 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 3fa4 s ALA 86 Cb -0.15 -0.52 -0.12 0.00 0.00 0.00 0.00 23.12 22.34 3fa4 s ALA 86 CO 0.08 0.49 1.58 -3.47 0.00 0.00 0.00 175.76 174.43 3fa4 n ASP 87 N 2.51 3.75 -0.48 0.00 -0.08 -0.75 -2.69 116.55 118.82 3fa4 n ASP 87 Ca -0.16 1.15 0.04 0.00 -1.51 0.00 0.00 54.79 54.31 3fa4 n ASP 87 Cb 0.52 -1.58 0.07 0.00 2.34 0.00 0.00 41.12 42.47 3fa4 n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fa4 n ALA 88 N 2.12 2.27 -0.54 -1.67 0.00 -1.06 -4.86 120.51 116.78 3fa4 n ALA 88 Ca 0.09 -1.90 0.00 0.00 0.00 0.00 0.00 53.44 51.63 3fa4 n ALA 88 Cb 0.36 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.52 0.00 -0.23 0.00 8.00 -1.24 -0.28 116.55 122.27 3fa4 n ASP 89 Ca 0.08 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.71 3fa4 n ASP 89 Cb 0.73 0.00 0.53 0.00 -0.02 0.00 0.00 41.12 42.36 3fa4 n ASP 89 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3fa4 n THR 90 N 0.00 0.00 -0.66 -3.53 -1.04 -1.26 -1.54 114.28 106.25 3fa4 n THR 90 Ca 0.00 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3fa4 n THR 90 Cb 0.00 0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 3fa4 n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fa4 n GLY 91 N 1.26 0.78 2.08 3.41 0.00 0.61 -4.47 105.19 108.87 3fa4 n GLY 91 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.21 0.00 0.00 1.61 4.02 -1.26 -3.00 117.16 116.32 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 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 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 -2.66 -0.15 1.15 2.72 0.00 -1.26 -4.90 105.19 100.09 3fa4 n GLY 93 Ca -0.01 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.26 0.38 -0.02 0.00 -1.26 -4.62 105.19 97.40 3fa4 n GLY 94 Ca 0.00 -1.51 0.18 0.00 0.00 0.00 0.00 46.02 44.68 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 0.55 -0.66 1.61 0.11 -1.94 -2.22 132.00 129.45 3fa4 h PRO 95 Ca -0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3fa4 h PRO 95 Cb 0.40 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 3fa4 h PRO 95 CO 0.09 0.36 0.43 0.82 -0.21 0.00 0.00 178.00 179.49 3fa4 h ILE 96 N 0.57 1.18 -0.10 4.15 2.04 -1.98 -0.28 117.51 123.09 3fa4 h ILE 96 Ca 0.58 -0.34 -0.19 0.00 1.00 0.00 0.00 64.86 65.92 3fa4 h ILE 96 Cb 1.18 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3fa4 h ILE 96 CO -0.34 0.17 -0.72 0.24 0.00 0.00 0.00 178.15 177.50 3fa4 h MET 97 N 0.90 0.47 -0.05 2.37 2.86 -1.79 -1.72 114.93 117.97 3fa4 h MET 97 Ca 0.24 -0.38 0.03 0.00 -2.06 0.00 0.00 59.70 57.53 3fa4 h MET 97 Cb -0.09 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 3fa4 h MET 97 CO -0.05 1.01 -0.11 0.28 1.06 0.00 0.00 176.91 179.10 3fa4 h VAL 98 N 0.33 0.70 -0.58 -2.22 2.07 -1.29 0.58 116.25 115.83 3fa4 h VAL 98 Ca -0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.60 3fa4 h VAL 98 Cb 1.30 0.70 -0.11 0.00 -1.52 0.00 0.00 31.29 31.66 3fa4 h VAL 98 CO 0.13 0.00 -0.30 0.00 0.02 0.00 0.00 177.57 177.42 3fa4 h ALA 99 N 0.84 0.03 -0.38 1.67 0.00 -1.03 -1.53 119.26 118.86 3fa4 h ALA 99 Ca 0.06 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 3fa4 h ALA 99 Cb 0.25 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3fa4 h ALA 99 CO -0.15 -0.64 -0.14 0.00 0.00 0.00 0.00 179.25 178.33 3fa4 h ARG 100 N -0.15 0.67 -0.67 0.00 3.08 -1.18 -0.83 114.38 115.31 3fa4 h ARG 100 Ca 0.24 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 60.08 3fa4 h ARG 100 Cb 0.54 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3fa4 h ARG 100 CO -0.66 0.78 0.44 1.15 -1.07 0.00 0.00 179.97 180.61 3fa4 h THR 101 N 0.61 1.16 0.07 2.04 2.02 -0.60 -1.02 112.91 117.19 3fa4 h THR 101 Ca 0.10 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 3fa4 h THR 101 Cb 0.58 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3fa4 h THR 101 CO 0.04 0.16 -0.04 0.74 0.37 0.00 0.00 175.52 176.80 3fa4 h THR 102 N 0.89 1.19 -0.21 3.16 2.02 -0.76 -0.16 112.91 119.05 3fa4 h THR 102 Ca 0.25 -1.06 0.04 0.00 0.77 0.00 0.00 66.41 66.41 3fa4 h THR 102 Cb -0.08 1.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 3fa4 h THR 102 CO -0.06 0.26 -0.04 -0.33 0.37 0.00 0.00 175.52 175.72 3fa4 h GLU 103 N -0.59 0.02 -0.69 6.66 5.08 -1.20 -0.78 114.58 123.08 3fa4 h GLU 103 Ca -0.01 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3fa4 h GLU 103 Cb 0.50 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 3fa4 h GLU 103 CO 0.02 0.01 0.28 1.96 -1.00 0.00 0.00 179.01 180.28 3fa4 h GLN 104 N 0.02 1.03 -0.31 2.33 4.20 -1.23 -0.65 115.11 120.48 3fa4 h GLN 104 Ca 0.10 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3fa4 h GLN 104 Cb 0.15 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3fa4 h GLN 104 CO -0.20 0.85 0.17 1.88 -0.67 0.00 0.00 178.83 180.85 3fa4 h TYR 105 N 0.98 0.44 0.50 2.96 -1.99 -0.96 -2.00 116.97 116.90 3fa4 h TYR 105 Ca 0.23 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.93 3fa4 h TYR 105 Cb 0.20 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 3fa4 h TYR 105 CO 0.01 0.36 -0.44 0.77 -0.00 0.00 0.00 178.16 178.87 3fa4 h SER 106 N 0.38 -1.17 -0.83 3.88 0.02 -1.01 -2.51 113.55 112.32 3fa4 h SER 106 Ca 0.11 0.09 0.17 0.00 -0.84 0.00 0.00 61.79 61.32 3fa4 h SER 106 Cb 0.08 0.38 -0.06 0.00 0.14 0.00 0.00 62.40 62.94 3fa4 h SER 106 CO -0.02 -0.61 0.55 0.03 -1.14 0.00 0.00 176.83 175.64 3fa4 h ARG 107 N -0.93 0.40 0.00 3.45 3.08 -1.16 -2.73 114.38 116.49 3fa4 h ARG 107 Ca -0.05 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3fa4 h ARG 107 Cb 0.80 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3fa4 h ARG 107 CO -0.03 0.27 0.00 0.43 -1.07 0.00 0.00 179.97 179.57 3fa4 n SER 108 N -4.49 0.42 0.00 7.04 7.64 -0.75 -4.92 113.62 118.56 3fa4 n SER 108 Ca 0.17 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.63 3fa4 n SER 108 Cb 0.61 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3fa4 n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fa4 n GLY 109 N 0.46 0.69 3.75 0.23 0.00 -1.03 -4.68 105.19 104.62 3fa4 n GLY 109 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.40 2.23 -0.06 1.61 1.01 -0.97 -4.33 120.40 117.49 3fa4 s VAL 110 Ca 0.00 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.24 3fa4 s VAL 110 Cb 0.00 -3.13 -0.24 0.00 0.00 0.00 0.00 36.38 33.01 3fa4 s VAL 110 CO 0.00 0.03 0.58 0.00 0.00 0.00 0.00 175.10 175.72 3fa4 h ALA 111 N 4.59 0.65 -2.68 5.51 0.00 -1.62 -3.40 119.26 122.31 3fa4 h ALA 111 Ca -0.47 -1.43 -0.06 0.00 0.00 0.00 0.00 54.91 52.94 3fa4 h ALA 111 Cb 1.22 0.55 -0.14 0.00 0.00 0.00 0.00 17.79 19.43 3fa4 h ALA 111 CO 0.76 1.49 -0.14 0.00 0.00 0.00 0.00 179.25 181.37 3fa4 s ALA 112 N -2.59 -0.80 -0.10 0.00 0.00 -0.87 -1.39 121.76 116.02 3fa4 s ALA 112 Ca -0.10 -0.12 -0.21 0.00 0.00 0.00 0.00 51.96 51.53 3fa4 s ALA 112 Cb 0.08 0.61 0.05 0.00 0.00 0.00 0.00 23.12 23.85 3fa4 s ALA 112 CO 0.81 -0.59 0.50 -0.59 0.00 0.00 0.00 175.76 175.89 3fa4 s PHE 113 N -3.65 -0.48 -0.14 0.00 -0.12 -0.92 -1.81 117.98 110.87 3fa4 s PHE 113 Ca 0.02 0.97 -0.06 0.00 -0.05 0.00 0.00 56.93 57.82 3fa4 s PHE 113 Cb 0.02 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 3fa4 s PHE 113 CO -0.11 -0.41 0.08 -3.38 -0.05 0.00 0.00 175.22 171.35 3fa4 s HIS 114 N -0.65 3.35 -0.03 3.49 -3.43 -1.09 -1.56 115.29 115.37 3fa4 s HIS 114 Ca -0.07 0.28 0.05 0.00 -0.80 0.00 0.00 55.06 54.51 3fa4 s HIS 114 Cb -0.03 -1.95 -0.03 0.00 -1.43 0.00 0.00 32.58 29.14 3fa4 s HIS 114 CO 0.05 0.45 -0.16 0.42 -2.00 0.00 0.00 174.74 173.49 3fa4 s ILE 115 N -0.46 2.92 0.46 -5.38 1.01 -0.54 -2.56 121.20 116.66 3fa4 s ILE 115 Ca 0.10 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.94 3fa4 s ILE 115 Cb -0.12 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3fa4 s ILE 115 CO 0.02 0.54 0.02 -1.83 0.00 0.00 0.00 174.94 173.69 3fa4 s GLU 116 N -0.85 2.07 -0.05 2.79 -1.05 -0.59 -0.38 118.70 120.64 3fa4 s GLU 116 Ca 0.12 -2.27 0.12 0.00 -0.15 0.00 0.00 54.97 52.79 3fa4 s GLU 116 Cb -0.11 -1.46 0.35 0.00 -0.44 0.00 0.00 34.13 32.47 3fa4 s GLU 116 CO 0.01 -0.26 1.28 -0.40 0.95 0.00 0.00 175.26 176.84 3fa4 n ASP 117 N -1.15 3.12 -4.82 0.83 5.75 -1.21 -4.67 116.55 114.40 3fa4 n ASP 117 Ca -0.13 -2.31 -0.32 0.00 -0.01 0.00 0.00 54.79 52.02 3fa4 n ASP 117 Cb 0.67 -0.31 -0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 -1.55 3.50 0.48 0.11 -0.21 -1.26 -0.52 119.66 120.21 3fa4 s GLN 118 Ca 0.27 1.12 -0.24 0.00 0.02 0.00 0.00 55.36 56.53 3fa4 s GLN 118 Cb 0.18 -2.06 -0.07 0.00 1.00 0.00 0.00 33.01 32.06 3fa4 s GLN 118 CO 0.12 -0.65 1.32 0.14 -2.12 0.00 0.00 175.29 174.10 3fa4 s VAL 119 N -2.53 2.42 0.16 1.09 -7.23 -0.18 -4.55 120.40 109.59 3fa4 s VAL 119 Ca 0.62 0.34 -0.19 0.00 -1.81 0.00 0.00 61.98 60.94 3fa4 s VAL 119 Cb -0.14 -3.18 0.08 0.00 0.56 0.00 0.00 36.38 33.70 3fa4 s VAL 119 CO 0.36 0.02 1.64 1.56 -0.31 0.00 0.00 175.10 178.37 3fa4 h GLN 120 N 2.02 -0.11 -2.46 4.82 4.20 -1.96 -3.49 115.11 118.13 3fa4 h GLN 120 Ca -0.50 0.01 -0.34 0.00 0.06 0.00 0.00 58.65 57.87 3fa4 h GLN 120 Cb 1.27 0.02 -0.36 0.00 0.30 0.00 0.00 27.48 28.72 3fa4 h GLN 120 CO 0.60 -0.07 -0.64 0.99 -0.67 0.00 0.00 178.83 179.03 3fa4 s THR 121 N -6.15 -0.32 0.00 -0.54 2.01 -1.26 -4.93 115.64 104.45 3fa4 s THR 121 Ca -0.14 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.59 3fa4 s THR 121 Cb 0.14 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.87 3fa4 s THR 121 CO 0.70 -0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 3fa4 n GLY 129 N 5.31 -2.19 2.70 4.40 0.00 -1.26 -5.07 105.19 109.08 3fa4 n GLY 129 Ca -0.05 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.33 0.05 -0.14 1.61 1.02 -1.26 -5.15 119.74 115.54 3fa4 s LYS 130 Ca 0.00 0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.23 3fa4 s LYS 130 Cb 0.00 -1.05 -0.00 0.00 -0.52 0.00 0.00 37.83 36.26 3fa4 s LYS 130 CO 0.00 -0.51 -0.18 0.42 -0.92 0.00 0.00 175.35 174.17 3fa4 s ILE 131 N 2.22 2.51 -0.13 2.17 -1.09 -1.26 -5.00 121.20 120.62 3fa4 s ILE 131 Ca 0.04 -0.84 -0.03 0.00 -2.23 0.00 0.00 60.65 57.59 3fa4 s ILE 131 Cb -0.14 -2.03 -0.03 0.00 -1.58 0.00 0.00 42.46 38.68 3fa4 s ILE 131 CO -0.07 0.53 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.38 3fa4 s LEU 132 N 0.63 3.37 0.59 2.97 1.02 -1.26 -1.01 118.68 124.99 3fa4 s LEU 132 Ca -0.09 -0.03 -0.18 0.00 0.02 0.00 0.00 54.13 53.84 3fa4 s LEU 132 Cb -0.16 -1.80 -0.03 0.00 0.02 0.00 0.00 46.19 44.22 3fa4 s LEU 132 CO 0.03 0.24 1.16 0.54 0.02 0.00 0.00 176.35 178.34 3fa4 s VAL 133 N -0.08 2.93 0.99 -1.59 0.11 0.32 -4.79 120.40 118.30 3fa4 s VAL 133 Ca 0.03 0.54 -0.11 0.00 -2.93 0.00 0.00 61.98 59.51 3fa4 s VAL 133 Cb -0.13 -3.17 0.19 0.00 -1.53 0.00 0.00 36.38 31.74 3fa4 s VAL 133 CO 0.02 -0.16 1.09 1.51 -3.33 0.00 0.00 175.10 174.24 3fa4 s ASP 134 N -1.86 2.38 0.27 3.54 -4.77 -1.26 -4.81 116.67 110.15 3fa4 s ASP 134 Ca 0.74 1.82 -0.04 0.00 -3.30 0.00 0.00 52.55 51.76 3fa4 s ASP 134 Cb -0.26 -2.41 0.34 0.00 -1.09 0.00 0.00 42.92 39.50 3fa4 s ASP 134 CO 0.33 -3.38 1.93 0.74 0.70 0.00 0.00 175.17 175.49 3fa4 h THR 135 N -2.06 1.24 -0.78 2.11 2.02 -1.96 -2.28 112.91 111.20 3fa4 h THR 135 Ca -0.51 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 66.14 3fa4 h THR 135 Cb 1.29 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3fa4 h THR 135 CO 0.47 0.24 0.28 0.44 0.37 0.00 0.00 175.52 177.33 3fa4 h ASP 136 N 1.21 1.10 -0.04 4.18 5.19 -1.99 -0.80 116.42 125.27 3fa4 h ASP 136 Ca 0.32 -0.19 -0.24 0.00 -0.62 0.00 0.00 57.03 56.30 3fa4 h ASP 136 Cb -0.09 -0.29 0.02 0.00 0.18 0.00 0.00 39.33 39.16 3fa4 h ASP 136 CO -0.06 0.99 -0.92 0.74 -3.12 0.00 0.00 179.24 176.86 3fa4 h THR 137 N 1.14 1.30 -0.62 0.35 2.02 -1.89 -0.94 112.91 114.26 3fa4 h THR 137 Ca 0.26 -2.15 0.06 0.00 0.77 0.00 0.00 66.41 65.35 3fa4 h THR 137 Cb 0.25 2.31 -0.06 0.00 -1.74 0.00 0.00 68.15 68.92 3fa4 h THR 137 CO -0.02 0.67 0.32 0.22 0.37 0.00 0.00 175.52 177.08 3fa4 h TYR 138 N 0.37 0.58 -0.25 3.16 3.20 -1.33 -2.79 116.97 119.91 3fa4 h TYR 138 Ca -0.10 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.64 3fa4 h TYR 138 Cb 1.58 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.67 3fa4 h TYR 138 CO 0.10 0.26 -0.45 0.28 -1.64 0.00 0.00 178.16 176.72 3fa4 h VAL 139 N 0.59 1.30 -0.78 1.81 2.07 -0.89 -1.62 116.25 118.74 3fa4 h VAL 139 Ca 0.29 -1.64 0.14 0.00 0.82 0.00 0.00 66.70 66.31 3fa4 h VAL 139 Cb 0.22 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 3fa4 h VAL 139 CO -0.20 0.52 0.51 0.74 0.02 0.00 0.00 177.57 179.16 3fa4 h THR 140 N 0.51 0.81 0.18 2.57 2.02 -1.10 0.45 112.91 118.35 3fa4 h THR 140 Ca 0.03 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3fa4 h THR 140 Cb 0.98 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3fa4 h THR 140 CO 0.09 0.09 -0.09 0.03 0.37 0.00 0.00 175.52 176.01 3fa4 h ARG 141 N 0.47 -0.24 -0.45 6.66 3.08 -1.04 -1.68 114.38 121.19 3fa4 h ARG 141 Ca 0.38 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.50 3fa4 h ARG 141 Cb 0.80 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.82 3fa4 h ARG 141 CO -0.13 0.17 -0.54 0.82 -1.07 0.00 0.00 179.97 179.21 3fa4 h ILE 142 N -0.88 0.02 -0.85 2.04 1.08 -1.22 -1.87 117.51 115.83 3fa4 h ILE 142 Ca -0.03 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.54 3fa4 h ILE 142 Cb 0.51 0.02 -0.06 0.00 -3.07 0.00 0.00 36.82 34.22 3fa4 h ILE 142 CO 0.04 0.00 0.55 -0.09 -0.69 0.00 0.00 178.15 177.96 3fa4 h ARG 143 N -0.36 0.78 -0.46 2.37 2.43 -0.99 -2.20 114.38 115.95 3fa4 h ARG 143 Ca 0.09 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3fa4 h ARG 143 Cb 0.59 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 3fa4 h ARG 143 CO -0.62 0.52 0.21 0.00 -1.51 0.00 0.00 179.97 178.57 3fa4 h ALA 144 N 1.58 0.60 -0.61 2.80 0.00 -0.88 -0.16 119.26 122.59 3fa4 h ALA 144 Ca 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3fa4 h ALA 144 Cb 0.44 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3fa4 h ALA 144 CO -0.16 0.18 0.30 0.00 0.00 0.00 0.00 179.25 179.57 3fa4 h ALA 145 N 1.05 0.78 -0.25 0.00 0.00 -0.85 -1.81 119.26 118.18 3fa4 h ALA 145 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3fa4 h ALA 145 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3fa4 h ALA 145 CO -0.02 0.33 -0.00 0.28 0.00 0.00 0.00 179.25 179.85 3fa4 h VAL 146 N 0.83 1.26 0.00 0.00 2.07 -1.26 -1.19 116.25 117.95 3fa4 h VAL 146 Ca 0.21 -0.91 -0.11 0.00 0.82 0.00 0.00 66.70 66.71 3fa4 h VAL 146 Cb 0.11 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3fa4 h VAL 146 CO -0.03 0.28 -0.52 1.56 0.02 0.00 0.00 177.57 178.88 3fa4 h GLN 147 N 0.21 0.00 -0.24 1.57 4.20 -1.01 -2.80 115.11 117.05 3fa4 h GLN 147 Ca 0.07 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 3fa4 h GLN 147 Cb 0.42 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3fa4 h GLN 147 CO 0.01 0.52 -0.04 0.00 -0.67 0.00 0.00 178.83 178.66 3fa4 h ALA 148 N 1.48 0.32 0.09 3.87 0.00 -0.94 -1.94 119.26 122.14 3fa4 h ALA 148 Ca -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3fa4 h ALA 148 Cb 1.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3fa4 h ALA 148 CO 0.07 0.09 -0.04 0.07 0.00 0.00 0.00 179.25 179.44 3fa4 h ARG 149 N 0.19 -0.12 -0.99 0.00 0.11 -1.26 -3.12 114.38 109.20 3fa4 h ARG 149 Ca 0.06 0.01 0.23 0.00 0.10 0.00 0.00 59.98 60.38 3fa4 h ARG 149 Cb 0.48 0.03 -0.12 0.00 1.11 0.00 0.00 29.97 31.46 3fa4 h ARG 149 CO 0.02 0.06 0.57 1.96 0.10 0.00 0.00 179.97 182.68 3fa4 h GLN 150 N -0.28 0.57 -0.40 0.08 4.20 -1.52 -0.08 115.11 117.68 3fa4 h GLN 150 Ca -0.01 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 3fa4 h GLN 150 Cb 0.23 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3fa4 h GLN 150 CO 0.02 0.38 -0.12 -0.09 -0.67 0.00 0.00 178.83 178.35 3fa4 h ARG 151 N 0.59 0.72 -0.38 1.46 2.43 -1.31 -2.91 114.38 114.97 3fa4 h ARG 151 Ca 0.62 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 3fa4 h ARG 151 Cb 1.14 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3fa4 h ARG 151 CO -0.47 0.81 0.00 0.44 -1.51 0.00 0.00 179.97 179.24 3fa4 n ILE 152 N -4.17 0.49 -2.03 1.20 -5.35 -0.79 -4.96 119.36 103.77 3fa4 n ILE 152 Ca 0.01 -0.68 -0.08 0.00 -0.27 0.00 0.00 62.75 61.73 3fa4 n ILE 152 Cb 0.36 0.79 -0.01 0.00 -1.74 0.00 0.00 39.64 39.05 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 1.44 0.17 3.82 3.28 0.00 -0.46 -5.03 105.19 108.41 3fa4 n GLY 153 Ca 0.19 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.68 6.97 -0.10 1.61 0.15 -0.17 -4.98 113.70 114.50 3fa4 s SER 154 Ca 0.00 1.15 0.09 0.00 0.70 0.00 0.00 55.95 57.89 3fa4 s SER 154 Cb 0.00 -2.32 0.44 0.00 -1.71 0.00 0.00 66.02 62.43 3fa4 s SER 154 CO 0.00 0.29 1.24 0.47 1.20 0.00 0.00 173.24 176.44 3fa4 n ASP 155 N 1.71 3.30 -4.72 5.45 8.00 -1.26 -4.58 116.55 124.44 3fa4 n ASP 155 Ca -0.11 -2.38 -0.42 0.00 0.71 0.00 0.00 54.79 52.59 3fa4 n ASP 155 Cb 0.51 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3fa4 n ASP 155 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3fa4 s ILE 156 N -1.84 2.57 -0.20 0.53 2.07 -1.26 -4.39 121.20 118.67 3fa4 s ILE 156 Ca 0.30 0.42 -0.29 0.00 -1.41 0.00 0.00 60.65 59.68 3fa4 s ILE 156 Cb 0.21 -3.27 -0.01 0.00 0.13 0.00 0.00 42.46 39.52 3fa4 s ILE 156 CO 0.12 0.04 1.26 -0.69 -1.91 0.00 0.00 174.94 173.76 3fa4 s VAL 157 N 0.88 4.27 -0.32 4.00 1.01 -0.49 -4.97 120.40 124.78 3fa4 s VAL 157 Ca 0.68 1.51 -0.19 0.00 0.00 0.00 0.00 61.98 63.98 3fa4 s VAL 157 Cb -0.44 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 3fa4 s VAL 157 CO 0.34 -0.21 0.56 -0.69 0.00 0.00 0.00 175.10 175.10 3fa4 s VAL 158 N 3.69 4.99 -0.24 2.92 1.01 -1.26 -2.16 120.40 129.36 3fa4 s VAL 158 Ca 0.55 0.65 -0.07 0.00 0.00 0.00 0.00 61.98 63.10 3fa4 s VAL 158 Cb -0.20 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3fa4 s VAL 158 CO 0.16 -0.13 0.06 -0.63 0.00 0.00 0.00 175.10 174.56 3fa4 s ILE 159 N 2.47 4.29 -0.40 2.22 1.01 -0.60 0.43 121.20 130.62 3fa4 s ILE 159 Ca 0.22 -0.18 -0.25 0.00 0.00 0.00 0.00 60.65 60.43 3fa4 s ILE 159 Cb -0.15 -2.99 0.02 0.00 0.01 0.00 0.00 42.46 39.34 3fa4 s ILE 159 CO 0.12 0.36 0.89 0.00 0.00 0.00 0.00 174.94 176.31 3fa4 s ALA 160 N 1.46 3.36 -0.14 9.38 0.00 0.59 -1.47 121.76 134.94 3fa4 s ALA 160 Ca 0.06 -0.61 -0.08 0.00 0.00 0.00 0.00 51.96 51.33 3fa4 s ALA 160 Cb -0.15 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 3fa4 s ALA 160 CO 0.03 -1.72 0.13 0.50 0.00 0.00 0.00 175.76 174.70 3fa4 s ARG 161 N 3.47 3.62 -0.05 0.00 3.52 0.49 -0.23 118.95 129.77 3fa4 s ARG 161 Ca 0.36 -0.17 0.05 0.00 -0.13 0.00 0.00 55.73 55.84 3fa4 s ARG 161 Cb -0.12 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 3fa4 s ARG 161 CO 0.21 0.64 -0.21 -0.08 -0.81 0.00 0.00 175.30 175.05 3fa4 s THR 162 N -0.64 2.44 -1.15 4.11 -1.32 -0.12 -3.34 115.64 115.63 3fa4 s THR 162 Ca 0.13 -0.94 0.18 0.00 -1.21 0.00 0.00 61.69 59.85 3fa4 s THR 162 Cb -0.12 -1.91 0.69 0.00 -1.51 0.00 0.00 72.50 69.65 3fa4 s THR 162 CO 0.02 0.57 1.60 0.47 -2.21 0.00 0.00 174.62 175.07 3fa4 n ASP 163 N 2.70 4.57 0.00 8.08 8.00 -1.26 -2.28 116.55 136.37 3fa4 n ASP 163 Ca -0.17 -2.41 0.11 0.00 0.71 0.00 0.00 54.79 53.03 3fa4 n ASP 163 Cb 0.52 -0.55 0.51 0.00 -0.02 0.00 0.00 41.12 41.58 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 1.07 0.00 0.24 -2.24 3.41 -1.26 -4.30 113.62 110.53 3fa4 n SER 164 Ca 0.25 0.38 -0.15 0.00 -0.26 0.00 0.00 58.87 59.09 3fa4 n SER 164 Cb 0.85 -0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.00 -0.50 -1.49 1.04 5.85 -1.81 -0.44 115.31 117.96 3fa4 h LEU 165 Ca 0.00 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3fa4 h LEU 165 Cb 0.36 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3fa4 h LEU 165 CO 0.00 -0.21 -0.06 0.06 -0.34 0.00 0.00 178.44 177.89 3fa4 h GLN 166 N -0.80 0.25 0.13 1.25 3.07 -1.88 -0.30 115.11 116.83 3fa4 h GLN 166 Ca -0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 58.65 58.63 3fa4 h GLN 166 Cb 0.55 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.07 3fa4 h GLN 166 CO 0.10 0.33 -0.06 1.15 0.09 0.00 0.00 178.83 180.44 3fa4 h THR 167 N 0.24 0.65 0.00 1.86 2.02 -1.78 -3.42 112.91 112.48 3fa4 h THR 167 Ca 0.05 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 66.01 3fa4 h THR 167 Cb 0.28 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 3fa4 h THR 167 CO 0.01 0.19 -0.47 1.41 0.37 0.00 0.00 175.52 177.04 3fa4 n HIS 168 N -4.86 0.00 -0.18 3.16 8.25 -0.18 -5.12 115.22 116.28 3fa4 n HIS 168 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3fa4 n HIS 168 Cb 0.22 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 1.24 -3.19 0.14 -1.41 0.00 -0.13 -4.54 105.19 97.31 3fa4 n GLY 169 Ca 0.02 -1.81 -0.12 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 0.42 -0.36 1.61 3.20 -1.89 -2.82 116.97 117.13 3fa4 h TYR 170 Ca 0.00 -0.10 0.04 0.00 3.14 0.00 0.00 58.73 61.82 3fa4 h TYR 170 Cb 0.00 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 3fa4 h TYR 170 CO 0.00 0.65 0.24 0.93 -1.64 0.00 0.00 178.16 178.34 3fa4 h GLU 171 N 0.07 0.30 -0.12 1.82 5.08 -1.99 -1.29 114.58 118.45 3fa4 h GLU 171 Ca 0.04 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3fa4 h GLU 171 Cb 0.52 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3fa4 h GLU 171 CO 0.02 0.20 -0.27 1.49 -1.00 0.00 0.00 179.01 179.45 3fa4 h GLU 172 N 0.31 0.39 -0.41 2.33 4.57 -1.76 -3.00 114.58 117.01 3fa4 h GLU 172 Ca 0.15 -0.26 0.07 0.00 -1.18 0.00 0.00 59.36 58.14 3fa4 h GLU 172 Cb 0.22 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.79 3fa4 h GLU 172 CO -0.03 0.87 0.07 0.77 -1.18 0.00 0.00 179.01 179.50 3fa4 h SER 173 N -0.03 -0.02 -0.51 1.04 0.02 -1.13 -1.88 113.55 111.04 3fa4 h SER 173 Ca -0.00 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 3fa4 h SER 173 Cb 0.87 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 3fa4 h SER 173 CO 0.06 0.02 0.13 -0.37 -1.14 0.00 0.00 176.83 175.53 3fa4 h VAL 174 N 0.19 1.24 -0.16 2.27 -1.51 -1.37 -0.95 116.25 115.96 3fa4 h VAL 174 Ca 0.20 -0.85 0.02 0.00 -1.23 0.00 0.00 66.70 64.84 3fa4 h VAL 174 Cb 0.25 0.82 -0.02 0.00 -2.13 0.00 0.00 31.29 30.20 3fa4 h VAL 174 CO -0.27 0.31 0.04 0.00 -1.23 0.00 0.00 177.57 176.42 3fa4 h ALA 175 N 1.00 0.17 -0.45 5.19 0.00 -1.35 0.32 119.26 124.13 3fa4 h ALA 175 Ca 0.16 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.17 3fa4 h ALA 175 Cb 0.33 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3fa4 h ALA 175 CO 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 179.25 178.93 3fa4 h ARG 176 N 0.11 0.20 -0.96 0.00 3.08 -1.29 -1.13 114.38 114.39 3fa4 h ARG 176 Ca 0.07 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.14 3fa4 h ARG 176 Cb 0.06 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 3fa4 h ARG 176 CO -0.09 0.13 0.63 -0.07 -1.07 0.00 0.00 179.97 179.50 3fa4 h LEU 177 N 0.21 1.07 -0.48 3.04 3.38 -0.96 -2.00 115.31 119.56 3fa4 h LEU 177 Ca 0.22 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.01 3fa4 h LEU 177 Cb 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3fa4 h LEU 177 CO -0.30 0.75 -0.51 0.03 0.09 0.00 0.00 178.44 178.50 3fa4 h ARG 178 N 1.25 0.67 -0.79 1.13 3.08 -0.43 -1.33 114.38 117.95 3fa4 h ARG 178 Ca 0.37 -0.40 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3fa4 h ARG 178 Cb -0.06 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3fa4 h ARG 178 CO -0.10 1.02 0.34 0.00 -1.07 0.00 0.00 179.97 180.16 3fa4 h ALA 179 N 0.91 1.10 -0.65 0.04 0.00 -1.14 -1.76 119.26 117.76 3fa4 h ALA 179 Ca 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3fa4 h ALA 179 Cb 1.07 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3fa4 h ALA 179 CO 0.10 0.65 0.23 0.00 0.00 0.00 0.00 179.25 180.24 3fa4 h ALA 180 N 1.22 0.84 -0.51 0.00 0.00 -1.17 -2.27 119.26 117.37 3fa4 h ALA 180 Ca 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3fa4 h ALA 180 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3fa4 h ALA 180 CO -0.03 0.49 0.26 -0.09 0.00 0.00 0.00 179.25 179.88 3fa4 h ARG 181 N 0.92 0.73 0.00 0.00 1.12 -1.15 -1.17 114.38 114.83 3fa4 h ARG 181 Ca 0.21 -0.10 -0.03 0.00 -1.11 0.00 0.00 59.98 58.95 3fa4 h ARG 181 Cb 0.25 -0.14 -0.00 0.00 -0.01 0.00 0.00 29.97 30.07 3fa4 h ARG 181 CO -0.01 0.59 -0.16 -0.44 -3.11 0.00 0.00 179.97 176.84 3fa4 h ASP 182 N 0.68 0.00 1.44 -3.80 3.32 -1.17 -2.44 116.42 114.45 3fa4 h ASP 182 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3fa4 h ASP 182 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3fa4 h ASP 182 CO -0.02 0.16 -0.25 0.00 -1.72 0.00 0.00 179.24 177.41 3fa4 h ALA 183 N 1.84 0.85 0.00 3.45 0.00 -0.90 -3.48 119.26 121.03 3fa4 h ALA 183 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fa4 h ALA 183 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3fa4 h ALA 183 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3fa4 n GLY 184 N 1.24 0.73 3.57 0.00 0.00 -0.88 -4.51 105.19 105.34 3fa4 n GLY 184 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3fa4 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa4 n ALA 185 N 0.00 -0.28 -0.03 4.61 0.00 -0.49 -4.94 120.51 119.37 3fa4 n ALA 185 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 3fa4 n ALA 185 Cb 0.00 -2.02 -0.14 0.00 0.00 0.00 0.00 19.45 17.28 3fa4 n ALA 185 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fa4 n ASP 186 N -0.51 1.08 -3.86 0.00 8.00 0.17 -4.68 116.55 116.75 3fa4 n ASP 186 Ca 0.13 0.29 -0.12 0.00 0.71 0.00 0.00 54.79 55.80 3fa4 n ASP 186 Cb 0.48 -0.11 -0.14 0.00 -0.02 0.00 0.00 41.12 41.32 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 -2.57 -0.01 -0.02 2.53 1.01 -1.08 -4.18 120.40 116.08 3fa4 s VAL 187 Ca -0.11 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 3fa4 s VAL 187 Cb 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 36.38 36.39 3fa4 s VAL 187 CO 0.80 0.01 0.12 -0.83 0.00 0.00 0.00 175.10 175.20 3fa4 s GLY 188 N 0.14 2.08 -0.30 4.51 0.00 -0.66 -0.30 107.32 112.79 3fa4 s GLY 188 Ca -0.01 -0.81 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 3fa4 s GLY 188 CO -0.00 -0.68 0.09 -0.12 0.00 0.00 0.00 173.10 172.39 3fa4 s PHE 189 N -1.21 1.71 -0.60 1.90 5.99 0.68 -1.20 117.98 125.25 3fa4 s PHE 189 Ca 0.23 -1.71 -0.23 0.00 0.00 0.00 0.00 56.93 55.23 3fa4 s PHE 189 Cb -0.12 -1.69 0.06 0.00 0.00 0.00 0.00 43.02 41.26 3fa4 s PHE 189 CO 0.14 -0.86 0.93 -1.17 -0.00 0.00 0.00 175.22 174.26 3fa4 s LEU 190 N 1.62 4.30 0.11 6.12 0.20 -1.26 -0.94 118.68 128.83 3fa4 s LEU 190 Ca 0.09 -0.71 -0.31 0.00 0.69 0.00 0.00 54.13 53.89 3fa4 s LEU 190 Cb -0.17 -2.60 -0.08 0.00 -0.43 0.00 0.00 46.19 42.91 3fa4 s LEU 190 CO -0.24 -1.31 1.41 -0.70 -0.29 0.00 0.00 176.35 175.22 3fa4 s GLU 191 N 3.92 4.31 0.00 1.98 2.56 -0.96 -4.05 118.70 126.45 3fa4 s GLU 191 Ca 0.25 2.10 0.00 0.00 0.00 0.00 0.00 54.97 57.32 3fa4 s GLU 191 Cb -0.15 -3.26 0.00 0.00 2.00 0.00 0.00 34.13 32.71 3fa4 s GLU 191 CO 0.14 -0.46 0.00 0.41 -0.56 0.00 0.00 175.26 174.79 3fa4 n GLY 192 N 3.53 0.89 3.64 -1.50 0.00 -1.26 -4.59 105.19 105.90 3fa4 n GLY 192 Ca 0.12 -0.58 -0.47 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.73 0.36 0.04 -0.61 5.41 -1.26 -4.74 119.36 115.83 3fa4 n ILE 193 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.66 3fa4 n ILE 193 Cb 0.35 -1.26 -0.08 0.00 -0.71 0.00 0.00 39.64 37.94 3fa4 n ILE 193 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3fa4 h THR 194 N 3.28 0.48 -3.94 1.39 2.02 -1.95 -3.27 112.91 110.92 3fa4 h THR 194 Ca -0.45 -1.96 -0.20 0.00 0.77 0.00 0.00 66.41 64.56 3fa4 h THR 194 Cb 1.29 2.02 -0.08 0.00 -1.74 0.00 0.00 68.15 69.64 3fa4 h THR 194 CO 0.80 0.28 -0.15 -0.94 0.37 0.00 0.00 175.52 175.88 3fa4 s SER 195 N -5.78 0.58 0.19 4.18 1.04 -1.26 -4.50 113.70 108.15 3fa4 s SER 195 Ca -0.03 -1.33 0.10 0.00 0.48 0.00 0.00 55.95 55.18 3fa4 s SER 195 Cb 0.09 0.65 -0.06 0.00 0.10 0.00 0.00 66.02 66.79 3fa4 s SER 195 CO 0.81 -1.28 1.36 0.03 0.98 0.00 0.00 173.24 175.14 3fa4 h ARG 196 N 2.15 0.00 -0.19 4.02 3.08 -1.98 -3.07 114.38 118.40 3fa4 h ARG 196 Ca -0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 3fa4 h ARG 196 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 3fa4 h ARG 196 CO 0.39 0.79 0.05 1.49 -1.07 0.00 0.00 179.97 181.61 3fa4 h GLU 197 N 0.00 0.26 0.14 0.04 4.81 -1.99 -1.11 114.58 116.74 3fa4 h GLU 197 Ca -0.01 -0.03 -0.29 0.00 -0.13 0.00 0.00 59.36 58.91 3fa4 h GLU 197 Cb 1.58 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 30.93 3fa4 h GLU 197 CO 0.10 0.24 -1.26 1.98 -0.73 0.00 0.00 179.01 179.35 3fa4 h MET 198 N 0.26 0.40 -0.46 1.92 4.05 -1.94 -2.33 114.93 116.84 3fa4 h MET 198 Ca 0.07 -0.62 -0.12 0.00 -0.28 0.00 0.00 59.70 58.74 3fa4 h MET 198 Cb 0.10 0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 3fa4 h MET 198 CO -0.00 1.28 -0.19 0.00 0.23 0.00 0.00 176.91 178.23 3fa4 h ALA 199 N 0.46 0.80 -0.15 0.39 0.00 -1.41 0.60 119.26 119.96 3fa4 h ALA 199 Ca -0.16 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 3fa4 h ALA 199 Cb 1.96 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3fa4 h ALA 199 CO 0.22 0.65 -0.44 0.00 0.00 0.00 0.00 179.25 179.68 3fa4 h ARG 200 N 0.79 0.35 -0.25 0.00 3.08 -1.24 -3.05 114.38 114.06 3fa4 h ARG 200 Ca 0.11 -0.18 -0.18 0.00 0.07 0.00 0.00 59.98 59.80 3fa4 h ARG 200 Cb 0.73 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 3fa4 h ARG 200 CO 0.06 0.73 -0.57 0.37 -1.07 0.00 0.00 179.97 179.49 3fa4 h GLN 201 N 0.29 0.78 -0.12 0.04 5.75 -1.02 -2.67 115.11 118.15 3fa4 h GLN 201 Ca 0.02 -0.50 -0.00 0.00 -0.15 0.00 0.00 58.65 58.01 3fa4 h GLN 201 Cb 0.90 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 3fa4 h GLN 201 CO 0.07 1.13 0.06 -0.39 -2.65 0.00 0.00 178.83 177.06 3fa4 h VAL 202 N 0.59 1.11 -0.70 2.39 -1.51 -0.90 -2.28 116.25 114.96 3fa4 h VAL 202 Ca 0.01 -0.31 0.12 0.00 -1.23 0.00 0.00 66.70 65.29 3fa4 h VAL 202 Cb 1.16 1.09 -0.09 0.00 -2.13 0.00 0.00 31.29 31.32 3fa4 h VAL 202 CO 0.12 0.10 0.26 0.40 -1.23 0.00 0.00 177.57 177.22 3fa4 h ILE 203 N 0.08 0.70 -0.31 7.19 2.04 -1.60 -0.83 117.51 124.78 3fa4 h ILE 203 Ca 0.04 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 3fa4 h ILE 203 Cb 0.10 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3fa4 h ILE 203 CO -0.01 0.08 -0.22 -0.61 0.00 0.00 0.00 178.15 177.40 3fa4 h GLN 204 N 0.43 0.70 0.00 2.37 5.75 -1.35 -2.98 115.11 120.03 3fa4 h GLN 204 Ca 0.37 -0.33 -0.10 0.00 -0.15 0.00 0.00 58.65 58.44 3fa4 h GLN 204 Cb 0.52 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 3fa4 h GLN 204 CO -0.37 0.94 -0.46 -0.44 -2.65 0.00 0.00 178.83 175.85 3fa4 h ASP 205 N 0.46 0.00 -0.84 -0.69 3.32 -1.00 -3.09 116.42 114.57 3fa4 h ASP 205 Ca 0.06 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.58 3fa4 h ASP 205 Cb 0.77 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.03 3fa4 h ASP 205 CO 0.06 0.46 0.37 0.18 -1.72 0.00 0.00 179.24 178.58 3fa4 n LEU 206 N -3.97 6.37 -4.75 1.55 4.77 -0.35 -5.07 117.00 115.55 3fa4 n LEU 206 Ca -0.02 -4.12 -0.41 0.00 -0.03 0.00 0.00 56.01 51.43 3fa4 n LEU 206 Cb 0.48 -0.78 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 3fa4 n LEU 206 CO 0.40 1.45 1.15 0.00 -1.33 0.00 0.00 177.39 179.05 3fa4 s ALA 207 N -3.57 3.65 0.00 -1.18 0.00 -1.13 -2.02 121.76 117.52 3fa4 s ALA 207 Ca 0.57 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.96 3fa4 s ALA 207 Cb 0.47 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 20.00 3fa4 s ALA 207 CO 0.03 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.35 3fa4 n GLY 208 N 1.94 2.48 3.48 0.00 0.00 -1.26 -5.00 105.19 106.83 3fa4 n GLY 208 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.28 3.22 0.39 1.61 -0.00 -0.86 -5.08 118.94 115.95 3fa4 s TRP 209 Ca 0.00 -0.45 -0.26 0.00 -0.00 0.00 0.00 56.10 55.38 3fa4 s TRP 209 Cb 0.00 -2.47 -0.11 0.00 -0.00 0.00 0.00 33.47 30.89 3fa4 s TRP 209 CO 0.00 -0.46 1.24 -0.35 -0.00 0.00 0.00 176.95 177.38 3fa4 n PRO 210 N 5.08 1.91 -4.88 5.86 -0.04 -1.26 -4.84 135.00 136.82 3fa4 n PRO 210 Ca -0.12 0.68 -0.27 0.00 -0.04 0.00 0.00 63.50 63.74 3fa4 n PRO 210 Cb 0.49 -2.31 -0.15 0.00 -0.04 0.00 0.00 33.50 31.49 3fa4 n PRO 210 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3fa4 s LEU 211 N -1.28 2.10 -0.21 1.53 1.43 -1.26 -1.66 118.68 119.34 3fa4 s LEU 211 Ca 0.59 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 53.12 3fa4 s LEU 211 Cb -0.54 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 3fa4 s LEU 211 CO 0.59 0.22 0.21 -0.22 0.23 0.00 0.00 176.35 177.39 3fa4 s LEU 212 N -0.83 4.17 -0.15 1.79 0.20 -0.34 -1.01 118.68 122.50 3fa4 s LEU 212 Ca 0.08 0.27 -0.16 0.00 0.69 0.00 0.00 54.13 55.02 3fa4 s LEU 212 Cb -0.09 -2.21 -0.04 0.00 -0.43 0.00 0.00 46.19 43.42 3fa4 s LEU 212 CO 0.00 0.07 0.38 -0.22 -0.29 0.00 0.00 176.35 176.30 3fa4 s LEU 213 N 0.83 4.24 -0.51 -0.68 2.96 0.43 -4.40 118.68 121.55 3fa4 s LEU 213 Ca 0.11 0.62 -0.21 0.00 -0.22 0.00 0.00 54.13 54.43 3fa4 s LEU 213 Cb -0.13 -2.51 0.05 0.00 0.50 0.00 0.00 46.19 44.10 3fa4 s LEU 213 CO 0.03 0.03 0.71 0.21 -1.32 0.00 0.00 176.35 176.02 3fa4 s ASN 214 N 0.64 6.27 -0.68 3.68 2.47 -1.26 -1.19 114.94 124.86 3fa4 s ASN 214 Ca 0.20 -0.70 -0.09 0.00 0.42 0.00 0.00 52.86 52.69 3fa4 s ASN 214 Cb -0.14 -2.33 0.18 0.00 -1.45 0.00 0.00 41.25 37.50 3fa4 s ASN 214 CO 0.07 -0.97 0.56 -0.04 -3.72 0.00 0.00 177.10 173.00 3fa4 s MET 215 N 3.01 3.01 -0.30 0.43 -1.94 -0.78 -4.85 119.30 117.88 3fa4 s MET 215 Ca 0.20 -2.32 -0.07 0.00 -1.71 0.00 0.00 55.69 51.79 3fa4 s MET 215 Cb -0.17 -4.09 0.01 0.00 2.01 0.00 0.00 34.83 32.59 3fa4 s MET 215 CO 0.15 -1.24 0.09 0.08 -0.01 0.00 0.00 175.02 174.09 3fa4 s VAL 216 N 0.39 3.99 0.93 -6.03 1.01 -1.26 -4.22 120.40 115.21 3fa4 s VAL 216 Ca 0.14 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 3fa4 s VAL 216 Cb -0.18 -3.08 0.15 0.00 0.00 0.00 0.00 36.38 33.27 3fa4 s VAL 216 CO -0.05 0.05 1.09 -1.61 0.00 0.00 0.00 175.10 174.58 3fa4 s GLU 217 N 1.50 0.97 -0.82 2.72 2.02 -1.26 -3.98 118.70 119.85 3fa4 s GLU 217 Ca 0.02 0.91 0.00 0.00 0.02 0.00 0.00 54.97 55.92 3fa4 s GLU 217 Cb -0.17 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.29 3fa4 s GLU 217 CO 0.03 -2.46 0.00 0.72 0.02 0.00 0.00 175.26 173.56 3fa4 n HIS 218 N -4.05 0.00 0.00 1.61 8.25 -1.26 -4.98 115.22 114.79 3fa4 n HIS 218 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3fa4 n HIS 218 Cb 0.55 -2.09 0.00 0.00 1.12 0.00 0.00 29.99 29.57 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 -0.56 2.35 0.20 -1.41 0.00 -1.26 -5.01 105.19 99.50 3fa4 n GLY 219 Ca -0.08 -1.14 0.12 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.34 0.88 -3.12 4.61 0.00 -1.90 -3.45 119.26 115.95 3fa4 h ALA 220 Ca 0.00 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3fa4 h ALA 220 Cb 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 3fa4 h ALA 220 CO 0.00 0.00 -0.35 0.99 0.00 0.00 0.00 179.25 179.89 3fa4 s THR 221 N -3.24 5.32 0.87 0.00 2.01 -1.23 -4.34 115.64 115.02 3fa4 s THR 221 Ca 0.05 0.49 -0.10 0.00 0.31 0.00 0.00 61.69 62.44 3fa4 s THR 221 Cb 0.06 -3.61 0.12 0.00 0.01 0.00 0.00 72.50 69.08 3fa4 s THR 221 CO 0.70 0.39 1.13 -2.84 -0.69 0.00 0.00 174.62 173.31 3fa4 s PRO 222 N 0.51 1.36 -0.71 4.92 0.02 -1.26 -4.63 135.00 135.21 3fa4 s PRO 222 Ca 0.15 1.46 -0.26 0.00 0.02 0.00 0.00 61.00 62.37 3fa4 s PRO 222 Cb -0.13 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.57 3fa4 s PRO 222 CO 0.03 -2.37 2.03 -1.12 -0.33 0.00 0.00 177.00 175.25 3fa4 s SER 223 N -2.84 4.95 -0.29 2.53 0.01 -1.26 -4.94 113.70 111.86 3fa4 s SER 223 Ca 0.65 0.06 -0.07 0.00 1.31 0.00 0.00 55.95 57.90 3fa4 s SER 223 Cb -0.21 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.48 3fa4 s SER 223 CO 0.57 -2.75 0.09 -0.63 0.41 0.00 0.00 173.24 170.93 3fa4 s ILE 224 N 10.53 4.15 0.87 1.44 1.01 -1.26 -5.11 121.20 132.82 3fa4 s ILE 224 Ca 0.75 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 60.75 3fa4 s ILE 224 Cb -0.11 -3.09 0.11 0.00 0.01 0.00 0.00 42.46 39.38 3fa4 s ILE 224 CO 0.13 0.13 1.12 -0.94 0.00 0.00 0.00 174.94 175.38 3fa4 s SER 225 N 1.54 3.86 0.17 3.58 1.04 -1.26 -4.85 113.70 117.78 3fa4 s SER 225 Ca 0.04 1.12 -0.16 0.00 0.48 0.00 0.00 55.95 57.43 3fa4 s SER 225 Cb -0.17 -1.77 0.11 0.00 0.10 0.00 0.00 66.02 64.29 3fa4 s SER 225 CO 0.03 -2.35 1.69 0.00 0.98 0.00 0.00 173.24 173.59 3fa4 h ALA 226 N -1.35 0.35 -0.90 5.32 0.00 -1.99 -1.36 119.26 119.32 3fa4 h ALA 226 Ca -0.49 0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.61 3fa4 h ALA 226 Cb 1.31 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 19.25 3fa4 h ALA 226 CO 0.60 -0.41 0.56 0.00 0.00 0.00 0.00 179.25 180.01 3fa4 h ALA 227 N 1.36 1.26 -0.07 0.00 0.00 -1.99 -0.90 119.26 118.91 3fa4 h ALA 227 Ca 0.20 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 3fa4 h ALA 227 Cb 0.28 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3fa4 h ALA 227 CO -0.34 0.31 -0.66 1.49 0.00 0.00 0.00 179.25 180.04 3fa4 h GLU 228 N 1.01 0.57 -0.98 0.00 4.81 -1.81 -2.41 114.58 115.77 3fa4 h GLU 228 Ca 0.40 -0.52 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3fa4 h GLU 228 Cb 0.20 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 3fa4 h GLU 228 CO -0.18 1.14 0.65 0.00 -0.73 0.00 0.00 179.01 179.89 3fa4 h ALA 229 N 0.44 1.32 -0.18 2.92 0.00 -1.16 0.92 119.26 123.52 3fa4 h ALA 229 Ca -0.06 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3fa4 h ALA 229 Cb 1.32 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3fa4 h ALA 229 CO 0.13 0.61 -0.01 -0.22 0.00 0.00 0.00 179.25 179.77 3fa4 h LYS 230 N 1.30 0.05 -0.71 0.00 3.64 -1.19 -2.35 116.57 117.31 3fa4 h LYS 230 Ca 0.37 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.83 3fa4 h LYS 230 Cb -0.09 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.67 3fa4 h LYS 230 CO -0.09 0.03 0.47 1.49 -2.27 0.00 0.00 179.45 179.08 3fa4 h GLU 231 N 0.05 0.64 -0.66 1.90 4.22 -0.92 -2.54 114.58 117.27 3fa4 h GLU 231 Ca 0.08 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.42 3fa4 h GLU 231 Cb 0.11 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3fa4 h GLU 231 CO -0.15 0.43 0.15 0.52 -2.18 0.00 0.00 179.01 177.79 3fa4 h MET 232 N 0.66 1.05 0.00 1.92 2.86 -0.48 -3.47 114.93 117.47 3fa4 h MET 232 Ca 0.32 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3fa4 h MET 232 Cb 0.37 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3fa4 h MET 232 CO -0.11 0.93 0.00 0.41 1.06 0.00 0.00 176.91 179.20 3fa4 n GLY 233 N -0.72 1.24 3.78 8.32 0.00 -0.96 -4.97 105.19 111.88 3fa4 n GLY 233 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.55 2.85 -0.14 1.61 0.40 -0.92 -4.64 117.98 115.59 3fa4 s PHE 234 Ca 0.00 1.56 0.19 0.00 -0.60 0.00 0.00 56.93 58.08 3fa4 s PHE 234 Cb 0.00 -3.27 -0.28 0.00 0.51 0.00 0.00 43.02 39.98 3fa4 s PHE 234 CO 0.00 -1.35 0.21 0.54 0.70 0.00 0.00 175.22 175.32 3fa4 n ARG 235 N -0.85 0.71 -4.30 0.44 5.12 -0.18 -4.52 116.66 113.08 3fa4 n ARG 235 Ca 0.09 -0.07 -0.19 0.00 -1.93 0.00 0.00 57.85 55.74 3fa4 n ARG 235 Cb 0.50 -1.51 -0.15 0.00 -1.16 0.00 0.00 32.46 30.13 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 -2.83 0.66 -0.06 0.55 1.01 -1.14 -0.18 121.20 119.20 3fa4 s ILE 236 Ca -0.09 -0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.32 3fa4 s ILE 236 Cb 0.09 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.95 3fa4 s ILE 236 CO 0.84 0.21 -0.21 -0.51 0.00 0.00 0.00 174.94 175.28 3fa4 s ILE 237 N 0.23 2.43 0.12 2.92 2.07 -0.47 -0.43 121.20 128.06 3fa4 s ILE 237 Ca -0.03 -0.94 0.06 0.00 -1.41 0.00 0.00 60.65 58.33 3fa4 s ILE 237 Cb -0.08 -1.91 -0.04 0.00 0.13 0.00 0.00 42.46 40.56 3fa4 s ILE 237 CO 0.00 0.57 -0.02 0.27 -1.91 0.00 0.00 174.94 173.85 3fa4 s ILE 238 N -0.29 3.79 -0.62 2.00 -4.36 -0.34 -1.44 121.20 119.94 3fa4 s ILE 238 Ca 0.01 -1.19 0.05 0.00 -0.26 0.00 0.00 60.65 59.26 3fa4 s ILE 238 Cb -0.13 -2.84 0.17 0.00 1.25 0.00 0.00 42.46 40.92 3fa4 s ILE 238 CO 0.03 0.04 0.47 0.49 0.24 0.00 0.00 174.94 176.20 3fa4 n PHE 239 N 0.35 2.13 0.32 1.37 3.01 -0.60 -1.87 117.46 122.17 3fa4 n PHE 239 Ca -0.11 -4.03 0.15 0.00 1.01 0.00 0.00 57.45 54.47 3fa4 n PHE 239 Cb 0.53 -0.39 0.68 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 5.37 0.00 -0.21 -1.08 0.11 -1.87 0.32 132.00 134.65 3fa4 h PRO 240 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3fa4 h PRO 240 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3fa4 h PRO 240 CO 0.63 0.00 0.00 0.34 -0.21 0.00 0.00 178.00 178.76 3fa4 n PHE 241 N -2.69 0.28 0.02 0.65 7.35 -1.26 -4.62 117.46 117.18 3fa4 n PHE 241 Ca 0.00 -0.36 0.07 0.00 -0.76 0.00 0.00 57.45 56.41 3fa4 n PHE 241 Cb 0.21 -0.02 0.48 0.00 0.35 0.00 0.00 39.48 40.50 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 1.73 1.84 0.00 3.13 0.00 -1.65 -2.27 119.26 122.06 3fa4 h ALA 242 Ca 0.00 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.52 3fa4 h ALA 242 Cb 0.61 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 3fa4 h ALA 242 CO 0.00 0.11 -2.37 0.00 0.00 0.00 0.00 179.25 176.99 3fa4 n ALA 243 N -2.50 1.45 -0.05 0.00 0.00 -1.23 -4.58 120.51 113.60 3fa4 n ALA 243 Ca 0.04 -1.20 -0.12 0.00 0.00 0.00 0.00 53.44 52.17 3fa4 n ALA 243 Cb 0.15 -0.21 -0.06 0.00 0.00 0.00 0.00 19.45 19.34 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 0.00 0.29 0.64 0.00 3.38 -1.80 -2.03 115.31 115.78 3fa4 h LEU 244 Ca -0.54 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.10 3fa4 h LEU 244 Cb 2.10 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.78 3fa4 h LEU 244 CO -0.01 0.51 -0.34 1.23 0.09 0.00 0.00 178.44 179.92 3fa4 h GLY 245 N 0.05 -1.01 -0.13 0.83 0.00 -1.68 -2.07 103.07 99.07 3fa4 h GLY 245 Ca 0.05 0.39 0.11 0.00 0.00 0.00 0.00 47.33 47.88 3fa4 h GLY 245 CO 0.01 -0.36 -0.15 -2.55 0.00 0.00 0.00 176.54 173.49 3fa4 h PRO 246 N -0.90 -0.01 -0.34 4.80 0.11 -1.80 -2.31 132.00 131.55 3fa4 h PRO 246 Ca -0.09 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.09 3fa4 h PRO 246 Cb 0.70 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.75 3fa4 h PRO 246 CO 0.12 -0.01 -0.09 0.00 -0.21 0.00 0.00 178.00 177.81 3fa4 h ALA 247 N 1.52 0.21 -0.05 -0.75 0.00 -1.32 -0.48 119.26 118.38 3fa4 h ALA 247 Ca 0.26 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 3fa4 h ALA 247 Cb 0.42 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3fa4 h ALA 247 CO -0.58 -0.46 -0.01 0.28 0.00 0.00 0.00 179.25 178.48 3fa4 h VAL 248 N -0.01 1.28 -0.75 0.00 2.07 -0.96 -0.98 116.25 116.89 3fa4 h VAL 248 Ca 0.16 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.86 3fa4 h VAL 248 Cb 0.25 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 3fa4 h VAL 248 CO -0.35 0.23 0.48 0.00 0.02 0.00 0.00 177.57 177.95 3fa4 h ALA 249 N 0.68 0.99 -0.02 1.67 0.00 -1.22 -1.80 119.26 119.56 3fa4 h ALA 249 Ca 0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3fa4 h ALA 249 Cb 0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3fa4 h ALA 249 CO 0.00 0.27 -0.67 0.00 0.00 0.00 0.00 179.25 178.85 3fa4 h ALA 250 N 1.32 0.83 -0.15 0.00 0.00 -0.89 -2.40 119.26 117.98 3fa4 h ALA 250 Ca 0.30 -0.60 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 3fa4 h ALA 250 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3fa4 h ALA 250 CO -0.12 0.81 -0.55 0.52 0.00 0.00 0.00 179.25 179.91 3fa4 h MET 251 N 0.08 0.46 -0.07 0.00 2.86 -0.96 -2.67 114.93 114.63 3fa4 h MET 251 Ca -0.01 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 3fa4 h MET 251 Cb 1.20 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.89 3fa4 h MET 251 CO 0.10 0.89 -0.03 -0.09 1.06 0.00 0.00 176.91 178.84 3fa4 h ARG 252 N 0.35 0.15 -0.65 1.72 2.43 -1.21 0.27 114.38 117.44 3fa4 h ARG 252 Ca 0.01 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.18 3fa4 h ARG 252 Cb 1.08 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.57 3fa4 h ARG 252 CO 0.10 0.51 0.34 1.49 -1.51 0.00 0.00 179.97 180.90 3fa4 h GLU 253 N -0.22 0.61 -0.34 0.20 4.22 -1.49 -1.91 114.58 115.65 3fa4 h GLU 253 Ca 0.02 -0.04 -0.14 0.00 0.08 0.00 0.00 59.36 59.28 3fa4 h GLU 253 Cb 0.46 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3fa4 h GLU 253 CO 0.01 0.40 -0.32 0.00 -2.18 0.00 0.00 179.01 176.92 3fa4 h ALA 254 N 1.36 0.50 -0.73 2.92 0.00 -1.31 -1.00 119.26 121.00 3fa4 h ALA 254 Ca 0.30 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3fa4 h ALA 254 Cb 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3fa4 h ALA 254 CO -0.20 0.55 0.47 0.52 0.00 0.00 0.00 179.25 180.59 3fa4 h MET 255 N 0.60 0.91 -0.08 0.00 2.86 -0.90 -0.69 114.93 117.63 3fa4 h MET 255 Ca 0.06 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.49 3fa4 h MET 255 Cb 0.90 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 3fa4 h MET 255 CO 0.08 0.60 -0.63 0.93 1.06 0.00 0.00 176.91 178.95 3fa4 h GLU 256 N 0.93 0.31 0.31 1.72 5.08 -1.23 -1.37 114.58 120.34 3fa4 h GLU 256 Ca 0.28 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3fa4 h GLU 256 Cb -0.04 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3fa4 h GLU 256 CO -0.09 0.84 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.35 3fa4 h LYS 257 N 0.23 -0.47 -0.87 2.33 3.64 -1.15 -2.59 116.57 117.69 3fa4 h LYS 257 Ca -0.01 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.51 3fa4 h LYS 257 Cb 1.15 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 33.00 3fa4 h LYS 257 CO 0.10 -0.31 0.50 1.25 -2.27 0.00 0.00 179.45 178.72 3fa4 h LEU 258 N -0.49 0.72 -0.25 5.20 5.85 -1.02 -0.58 115.31 124.74 3fa4 h LEU 258 Ca -0.03 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3fa4 h LEU 258 Cb 0.40 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 3fa4 h LEU 258 CO 0.03 0.39 -0.06 0.50 -0.34 0.00 0.00 178.44 178.96 3fa4 h LYS 259 N 0.82 0.00 0.00 1.25 3.11 -1.18 0.23 116.57 120.80 3fa4 h LYS 259 Ca 0.43 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.27 3fa4 h LYS 259 Cb 0.42 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.65 3fa4 h LYS 259 CO -0.26 0.00 -0.62 0.07 -2.81 0.00 0.00 179.45 175.83 3fa4 h ARG 260 N 0.00 0.00 0.01 1.90 0.11 -1.00 -3.36 114.38 112.04 3fa4 h ARG 260 Ca 0.12 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.88 3fa4 h ARG 260 Cb 0.19 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.21 3fa4 h ARG 260 CO -0.26 0.00 -1.94 -0.25 0.10 0.00 0.00 179.97 177.61 3fa4 n ASP 261 N -2.80 0.72 0.00 0.08 9.92 -0.28 -4.99 116.55 119.20 3fa4 n ASP 261 Ca 0.02 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.54 3fa4 n ASP 261 Cb 0.54 0.19 0.00 0.00 -0.64 0.00 0.00 41.12 41.21 3fa4 n ASP 261 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3fa4 n GLY 262 N 1.66 0.66 3.32 0.44 0.00 0.81 -4.98 105.19 107.09 3fa4 n GLY 262 Ca -0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.66 0.02 0.17 -0.61 2.07 -1.25 -5.07 121.20 113.87 3fa4 s ILE 263 Ca 0.00 -0.19 0.19 0.00 -1.41 0.00 0.00 60.65 59.24 3fa4 s ILE 263 Cb 0.00 -0.66 0.14 0.00 0.13 0.00 0.00 42.46 42.07 3fa4 s ILE 263 CO 0.00 -0.11 1.74 1.55 -1.91 0.00 0.00 174.94 176.22 3fa4 h PRO 264 N 4.50 0.00 -5.31 3.50 0.13 -1.92 -3.39 132.00 129.51 3fa4 h PRO 264 Ca -0.28 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.44 3fa4 h PRO 264 Cb 1.17 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.41 3fa4 h PRO 264 CO 0.32 0.36 -0.65 0.41 -0.23 0.00 0.00 178.00 178.21 3fa4 n GLY 265 N 0.22 -0.54 3.75 1.56 0.00 -1.26 -4.68 105.19 104.24 3fa4 n GLY 265 Ca -0.00 0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -7.07 3.92 0.28 0.99 1.02 -1.26 -4.97 118.68 111.58 3fa4 s LEU 266 Ca 0.48 2.78 -0.27 0.00 0.02 0.00 0.00 54.13 57.14 3fa4 s LEU 266 Cb -0.21 -4.20 -0.15 0.00 0.02 0.00 0.00 46.19 41.65 3fa4 s LEU 266 CO 0.59 -1.46 0.66 0.47 0.02 0.00 0.00 176.35 176.63 3fa4 n ASP 267 N -0.82 -0.45 0.13 2.29 8.00 -1.26 -4.86 116.55 119.58 3fa4 n ASP 267 Ca 0.09 1.09 0.08 0.00 0.71 0.00 0.00 54.79 56.76 3fa4 n ASP 267 Cb 0.44 -1.09 0.43 0.00 -0.02 0.00 0.00 41.12 40.89 3fa4 n ASP 267 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3fa4 n LYS 268 N 0.86 0.10 0.00 -1.24 2.85 -1.26 -1.84 118.16 117.63 3fa4 n LYS 268 Ca 0.14 0.59 0.11 0.00 -1.05 0.00 0.00 58.31 58.10 3fa4 n LYS 268 Cb 0.31 -1.91 0.05 0.00 -0.65 0.00 0.00 35.03 32.82 3fa4 n LYS 268 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3fa4 n GLU 269 N -2.06 1.35 -2.18 -1.58 1.02 -1.26 -4.62 120.64 111.30 3fa4 n GLU 269 Ca -0.01 -1.09 -0.42 0.00 -0.02 0.00 0.00 57.16 55.61 3fa4 n GLU 269 Cb 0.10 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3fa4 n GLU 269 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3fa4 n MET 270 N 0.13 3.68 -4.75 3.49 2.81 -0.77 -4.75 117.12 116.97 3fa4 n MET 270 Ca 0.10 -3.37 -0.32 0.00 -1.81 0.00 0.00 57.70 52.30 3fa4 n MET 270 Cb 0.48 -2.92 -0.12 0.00 -0.71 0.00 0.00 33.22 29.94 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 0.53 3.11 0.24 2.03 -4.23 -1.26 -4.99 115.64 111.06 3fa4 s THR 271 Ca 0.43 -0.85 -0.01 0.00 -1.18 0.00 0.00 61.69 60.08 3fa4 s THR 271 Cb 0.12 -2.27 0.34 0.00 1.34 0.00 0.00 72.50 72.03 3fa4 s THR 271 CO -0.02 0.49 1.22 -2.65 -0.54 0.00 0.00 174.62 173.12 3fa4 n PRO 272 N 1.96 -0.06 -0.09 3.99 -0.02 -1.26 0.88 135.00 140.40 3fa4 n PRO 272 Ca -0.17 1.18 0.05 0.00 -2.02 0.00 0.00 63.50 62.54 3fa4 n PRO 272 Cb 0.52 -1.85 0.38 0.00 -0.02 0.00 0.00 33.50 32.54 3fa4 n PRO 272 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3fa4 h GLN 273 N 0.00 0.65 0.81 -0.52 7.50 -1.96 0.29 115.11 121.88 3fa4 h GLN 273 Ca 0.44 -0.04 -0.04 0.00 0.50 0.00 0.00 58.65 59.52 3fa4 h GLN 273 Cb 0.86 -0.15 0.01 0.00 0.05 0.00 0.00 27.48 28.25 3fa4 h GLN 273 CO -0.75 0.43 -0.39 1.98 -1.50 0.00 0.00 178.83 178.60 3fa4 h MET 274 N 0.67 -1.04 -0.98 1.46 4.05 0.20 -1.37 114.93 117.91 3fa4 h MET 274 Ca 0.22 0.07 0.27 0.00 -0.28 0.00 0.00 59.70 59.98 3fa4 h MET 274 Cb 0.05 0.24 -0.18 0.00 -0.80 0.00 0.00 31.60 30.90 3fa4 h MET 274 CO -0.06 -0.70 0.05 1.25 0.23 0.00 0.00 176.91 177.69 3fa4 h LEU 275 N -1.26 -0.44 -0.52 3.39 7.12 -0.47 0.18 115.31 123.31 3fa4 h LEU 275 Ca -0.11 0.28 -0.15 0.00 0.13 0.00 0.00 57.88 58.03 3fa4 h LEU 275 Cb 0.83 0.47 -0.01 0.00 -0.53 0.00 0.00 40.66 41.42 3fa4 h LEU 275 CO 0.18 -0.35 -0.42 -0.26 -0.13 0.00 0.00 178.44 177.46 3fa4 h PHE 276 N 0.01 0.87 -0.80 1.25 0.05 -0.92 -2.43 116.94 114.98 3fa4 h PHE 276 Ca 0.60 -0.27 -0.02 0.00 3.82 0.00 0.00 57.97 62.11 3fa4 h PHE 276 Cb 1.26 -0.18 -0.04 0.00 2.00 0.00 0.00 35.95 38.99 3fa4 h PHE 276 CO -0.47 1.02 0.42 0.00 -0.18 0.00 0.00 178.31 179.10 3fa4 h ARG 277 N 0.59 1.11 -0.33 1.51 2.47 0.45 -2.07 114.38 118.11 3fa4 h ARG 277 Ca 0.04 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 3fa4 h ARG 277 Cb 0.97 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 29.06 3fa4 h ARG 277 CO 0.09 0.83 0.21 0.28 0.56 0.00 0.00 179.97 181.94 3fa4 h VAL 278 N 1.12 1.09 -0.89 2.04 2.07 -0.62 -2.87 116.25 118.19 3fa4 h VAL 278 Ca 0.28 -0.16 -0.51 0.00 0.82 0.00 0.00 66.70 67.12 3fa4 h VAL 278 Cb 0.05 0.61 -0.28 0.00 -1.52 0.00 0.00 31.29 30.15 3fa4 h VAL 278 CO -0.04 0.08 0.53 0.00 0.02 0.00 0.00 177.57 178.17 3fa4 n GLY 280 N -1.06 -0.27 0.33 0.00 0.00 -1.08 -4.94 105.19 98.17 3fa4 n GLY 280 Ca 0.56 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.71 0.97 -0.68 0.99 5.85 -1.59 -2.36 115.31 116.77 3fa4 h LEU 281 Ca -0.52 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.00 3fa4 h LEU 281 Cb 1.30 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3fa4 h LEU 281 CO 0.44 0.87 0.19 0.44 -0.34 0.00 0.00 178.44 180.04 3fa4 h ASP 282 N 1.03 1.02 0.26 1.25 3.32 -1.86 0.12 116.42 121.56 3fa4 h ASP 282 Ca 0.24 -0.22 -0.19 0.00 0.02 0.00 0.00 57.03 56.88 3fa4 h ASP 282 Cb 0.21 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3fa4 h ASP 282 CO -0.02 0.98 -0.76 -0.33 -1.72 0.00 0.00 179.24 177.39 3fa4 h GLU 283 N 1.01 0.41 -0.82 3.56 4.39 -1.95 -1.85 114.58 119.34 3fa4 h GLU 283 Ca 0.22 -0.35 0.01 0.00 0.34 0.00 0.00 59.36 59.58 3fa4 h GLU 283 Cb 0.34 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 3fa4 h GLU 283 CO -0.00 0.99 0.54 0.77 -1.16 0.00 0.00 179.01 180.15 3fa4 h SER 284 N 0.27 0.94 -0.42 1.42 0.02 -0.94 -2.62 113.55 112.23 3fa4 h SER 284 Ca -0.04 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3fa4 h SER 284 Cb 1.34 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 3fa4 h SER 284 CO 0.13 0.68 0.10 -0.03 -1.14 0.00 0.00 176.83 176.56 3fa4 h MET 285 N 1.11 0.68 -0.72 3.45 -1.53 -0.50 -2.76 114.93 114.66 3fa4 h MET 285 Ca 0.30 -0.17 -0.01 0.00 -3.44 0.00 0.00 59.70 56.39 3fa4 h MET 285 Cb -0.12 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 30.81 3fa4 h MET 285 CO -0.07 0.69 0.42 0.87 0.14 0.00 0.00 176.91 178.97 3fa4 h LYS 286 N 0.54 0.98 -0.69 0.39 1.57 -1.20 -2.55 116.57 115.61 3fa4 h LYS 286 Ca 0.13 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3fa4 h LYS 286 Cb 0.33 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3fa4 h LYS 286 CO 0.00 0.71 0.43 0.28 -0.57 0.00 0.00 179.45 180.30 3fa4 h VAL 287 N 0.98 1.20 -0.31 0.50 2.07 -1.45 0.40 116.25 119.64 3fa4 h VAL 287 Ca 0.26 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 3fa4 h VAL 287 Cb -0.01 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3fa4 h VAL 287 CO -0.05 0.20 -0.00 -0.78 0.02 0.00 0.00 177.57 176.96 3fa4 h ASP 288 N 0.94 0.54 0.37 0.57 1.82 -1.45 -2.89 116.42 116.32 3fa4 h ASP 288 Ca 0.25 -0.31 -0.14 0.00 -0.39 0.00 0.00 57.03 56.44 3fa4 h ASP 288 Cb -0.05 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.81 3fa4 h ASP 288 CO -0.05 0.72 -0.59 0.00 -1.61 0.00 0.00 179.24 177.72 3fa4 h ALA 289 N 0.84 0.88 0.00 -0.78 0.00 -1.26 -2.45 119.26 116.50 3fa4 h ALA 289 Ca 0.09 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 3fa4 h ALA 289 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3fa4 h ALA 289 CO 0.02 0.72 -0.36 1.96 0.00 0.00 0.00 179.25 181.58 3fa4 h GLN 290 N 0.17 0.00 -0.13 0.00 4.20 -0.95 -3.34 115.11 115.06 3fa4 h GLN 290 Ca -0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 3fa4 h GLN 290 Cb 1.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 3fa4 h GLN 290 CO 0.09 0.36 -0.45 0.00 -0.67 0.00 0.00 178.83 178.16 3fa4 h ALA 291 N 1.64 0.99 -3.00 3.87 0.00 -1.22 -3.49 119.26 118.05 3fa4 h ALA 291 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3fa4 h ALA 291 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3fa4 h ALA 291 CO 0.05 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.34 3fa4 n GLY 292 N -0.04 3.38 0.00 0.00 0.00 -1.24 -5.13 105.19 102.16 3fa4 n GLY 292 Ca -0.02 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3fa4 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa4 n GLY 293 N 5.00 4.87 0.00 -0.02 0.00 -1.18 -4.73 105.19 109.13 3fa4 n GLY 293 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3fa4 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32