#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa4 s VAL 4 N 0.00 2.25 0.13 1.12 1.01 -1.26 -5.15 120.40 118.51 3fa4 s VAL 4 Ca 0.00 -1.78 0.05 0.00 0.00 0.00 0.00 61.98 60.26 3fa4 s VAL 4 Cb 0.00 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3fa4 s VAL 4 CO 0.00 0.07 -0.12 0.42 0.00 0.00 0.00 175.10 175.47 3fa4 s THR 5 N -1.11 1.27 -0.36 3.92 -4.23 -1.26 -5.03 115.64 108.83 3fa4 s THR 5 Ca 0.14 -1.86 0.26 0.00 -1.18 0.00 0.00 61.69 59.05 3fa4 s THR 5 Cb -0.10 -1.65 0.29 0.00 1.34 0.00 0.00 72.50 72.37 3fa4 s THR 5 CO 0.06 -0.56 1.78 0.00 -0.54 0.00 0.00 174.62 175.37 3fa4 h ALA 6 N 3.20 1.00 -0.76 3.99 0.00 -1.77 -1.55 119.26 123.37 3fa4 h ALA 6 Ca -0.38 0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.68 3fa4 h ALA 6 Cb 1.20 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 3fa4 h ALA 6 CO 0.56 0.00 0.29 0.00 0.00 0.00 0.00 179.25 180.10 3fa4 h ALA 7 N 2.22 1.07 -0.05 0.00 0.00 -1.79 0.50 119.26 121.21 3fa4 h ALA 7 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fa4 h ALA 7 Cb 0.43 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3fa4 h ALA 7 CO 0.00 -0.23 0.03 1.15 0.00 0.00 0.00 179.25 180.20 3fa4 h THR 8 N 0.42 1.01 -0.13 0.00 2.02 -1.54 -1.44 112.91 113.26 3fa4 h THR 8 Ca 0.42 -0.03 -0.13 0.00 0.77 0.00 0.00 66.41 67.45 3fa4 h THR 8 Cb 0.66 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3fa4 h THR 8 CO -0.42 0.01 -0.48 0.77 0.37 0.00 0.00 175.52 175.77 3fa4 h SER 9 N 0.07 0.35 -0.40 4.18 4.64 -1.62 -2.69 113.55 118.08 3fa4 h SER 9 Ca 0.02 -0.17 -0.13 0.00 -0.47 0.00 0.00 61.79 61.05 3fa4 h SER 9 Cb -0.01 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3fa4 h SER 9 CO -0.00 0.78 -0.22 0.25 -0.87 0.00 0.00 176.83 176.76 3fa4 h LEU 10 N 0.26 0.93 -0.43 5.97 5.85 -0.82 -0.46 115.31 126.61 3fa4 h LEU 10 Ca 0.01 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.46 3fa4 h LEU 10 Cb 0.94 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 3fa4 h LEU 10 CO 0.08 1.11 0.05 -0.09 -0.34 0.00 0.00 178.44 179.26 3fa4 h ARG 11 N 0.78 0.17 0.04 1.25 2.43 -1.17 -0.92 114.38 116.96 3fa4 h ARG 11 Ca 0.10 -0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 59.03 3fa4 h ARG 11 Cb 0.78 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 3fa4 h ARG 11 CO 0.06 0.11 -1.02 0.07 -1.51 0.00 0.00 179.97 177.68 3fa4 h ARG 12 N 0.17 0.24 -0.77 0.20 -0.00 -1.47 -2.64 114.38 110.12 3fa4 h ARG 12 Ca 0.21 -0.31 0.16 0.00 -0.00 0.00 0.00 59.98 60.04 3fa4 h ARG 12 Cb 0.28 0.10 -0.11 0.00 -0.00 0.00 0.00 29.97 30.25 3fa4 h ARG 12 CO -0.30 1.07 0.24 0.00 -0.00 0.00 0.00 179.97 180.98 3fa4 h ALA 13 N 0.81 1.05 0.00 0.08 0.00 -1.02 -1.27 119.26 118.90 3fa4 h ALA 13 Ca -0.08 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3fa4 h ALA 13 Cb 1.70 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 3fa4 h ALA 13 CO 0.16 -0.31 -0.31 -0.07 0.00 0.00 0.00 179.25 178.72 3fa4 h LEU 14 N 0.33 0.00 0.00 0.00 3.38 -1.09 -3.15 115.31 114.78 3fa4 h LEU 14 Ca 0.44 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.26 3fa4 h LEU 14 Cb 0.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3fa4 h LEU 14 CO -0.49 0.31 -0.79 -0.33 0.09 0.00 0.00 178.44 177.24 3fa4 h GLU 15 N 0.00 0.00 -6.24 1.13 5.08 -1.06 -3.43 114.58 110.06 3fa4 h GLU 15 Ca -0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 3fa4 h GLU 15 Cb 0.86 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 3fa4 h GLU 15 CO 0.04 0.64 0.96 1.21 -1.00 0.00 0.00 179.01 180.85 3fa4 s ASN 16 N -6.46 6.78 0.00 1.42 3.84 -0.53 -4.97 114.94 115.03 3fa4 s ASN 16 Ca 0.02 1.55 0.11 0.00 0.21 0.00 0.00 52.86 54.75 3fa4 s ASN 16 Cb 0.08 -2.54 0.50 0.00 -0.55 0.00 0.00 41.25 38.75 3fa4 s ASN 16 CO 0.78 -0.93 1.28 -0.81 -2.79 0.00 0.00 177.10 174.63 3fa4 n PRO 17 N 6.98 0.09 0.00 0.43 -0.04 -1.26 -3.14 135.00 138.06 3fa4 n PRO 17 Ca 0.15 0.24 0.08 0.00 -0.04 0.00 0.00 63.50 63.93 3fa4 n PRO 17 Cb 0.45 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.38 0.82 -4.73 3.54 10.43 -1.26 -4.92 116.55 119.04 3fa4 n ASP 18 Ca 0.04 -0.91 -0.40 0.00 2.57 0.00 0.00 54.79 56.09 3fa4 n ASP 18 Cb 0.10 0.99 -0.05 0.00 1.84 0.00 0.00 41.12 44.00 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 -2.58 7.20 -0.05 -2.24 0.01 -1.19 -5.06 113.70 109.79 3fa4 s SER 19 Ca 0.07 1.44 0.04 0.00 1.31 0.00 0.00 55.95 58.81 3fa4 s SER 19 Cb 0.13 -2.48 -0.00 0.00 0.21 0.00 0.00 66.02 63.88 3fa4 s SER 19 CO 0.69 -0.05 -0.17 0.12 0.41 0.00 0.00 173.24 174.24 3fa4 s PHE 20 N 0.26 1.73 -0.18 2.43 5.36 -1.26 -4.87 117.98 121.45 3fa4 s PHE 20 Ca 0.41 -0.53 -0.04 0.00 -0.96 0.00 0.00 56.93 55.81 3fa4 s PHE 20 Cb -0.20 -1.17 -0.03 0.00 -0.34 0.00 0.00 43.02 41.28 3fa4 s PHE 20 CO 0.23 -0.19 -0.02 0.42 -1.46 0.00 0.00 175.22 174.20 3fa4 s ILE 21 N 0.13 3.89 -0.28 3.12 -1.09 -0.11 -4.99 121.20 121.87 3fa4 s ILE 21 Ca -0.06 -0.35 -0.00 0.00 -2.23 0.00 0.00 60.65 58.01 3fa4 s ILE 21 Cb -0.12 -2.73 0.05 0.00 -1.58 0.00 0.00 42.46 38.08 3fa4 s ILE 21 CO 0.03 0.46 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.47 3fa4 s VAL 22 N 0.69 2.74 -0.29 2.92 1.01 -1.26 -0.76 120.40 125.45 3fa4 s VAL 22 Ca -0.01 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.56 3fa4 s VAL 22 Cb -0.14 -2.57 0.08 0.00 0.00 0.00 0.00 36.38 33.75 3fa4 s VAL 22 CO 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 175.10 175.04 3fa4 s ALA 23 N 1.21 2.43 0.46 5.51 0.00 -0.22 -3.96 121.76 127.19 3fa4 s ALA 23 Ca -0.06 -1.92 -0.21 0.00 0.00 0.00 0.00 51.96 49.77 3fa4 s ALA 23 Cb -0.20 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.15 3fa4 s ALA 23 CO -0.02 -1.41 1.02 -1.25 0.00 0.00 0.00 175.76 174.10 3fa4 s PRO 24 N 1.15 3.96 0.12 0.00 0.04 -1.26 -1.76 135.00 137.25 3fa4 s PRO 24 Ca 0.00 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.08 3fa4 s PRO 24 Cb -0.19 -2.20 -0.06 0.00 0.04 0.00 0.00 34.50 32.09 3fa4 s PRO 24 CO -0.08 -0.29 1.07 0.20 0.04 0.00 0.00 177.00 177.94 3fa4 s GLY 25 N -1.94 2.81 -0.01 0.56 0.00 0.19 -2.00 107.32 106.93 3fa4 s GLY 25 Ca 0.64 0.73 0.03 0.00 0.00 0.00 0.00 44.72 46.12 3fa4 s GLY 25 CO 0.20 1.69 -0.08 0.14 0.00 0.00 0.00 173.10 175.04 3fa4 s VAL 26 N 0.22 0.67 0.00 1.40 1.01 -0.14 -3.39 120.40 120.17 3fa4 s VAL 26 Ca 0.51 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3fa4 s VAL 26 Cb -0.27 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.54 3fa4 s VAL 26 CO 0.32 0.19 0.00 0.00 0.00 0.00 0.00 175.10 175.61 3fa4 n TYR 27 N 2.94 0.00 -3.60 5.22 4.11 -1.26 -2.75 117.16 121.82 3fa4 n TYR 27 Ca -0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.73 3fa4 n TYR 27 Cb 0.57 0.00 -0.00 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 -0.88 -0.31 0.05 9.48 5.75 -1.26 -4.40 116.55 124.97 3fa4 n ASP 28 Ca 0.00 -1.39 -0.12 0.00 -0.01 0.00 0.00 54.79 53.27 3fa4 n ASP 28 Cb 0.00 0.57 -0.01 0.00 -1.03 0.00 0.00 41.12 40.65 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 0.41 0.52 0.81 6.12 0.00 -1.96 -3.15 103.07 105.82 3fa4 h GLY 29 Ca -0.06 -0.80 0.02 0.00 0.00 0.00 0.00 47.33 46.49 3fa4 h GLY 29 CO 0.08 0.71 -0.04 -2.00 0.00 0.00 0.00 176.54 175.28 3fa4 h LEU 30 N 0.30 -0.14 -1.15 3.11 6.46 -1.99 -0.22 115.31 121.69 3fa4 h LEU 30 Ca -0.05 0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.66 3fa4 h LEU 30 Cb 1.42 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.41 3fa4 h LEU 30 CO 0.15 -0.06 -0.20 0.77 -0.62 0.00 0.00 178.44 178.47 3fa4 h SER 31 N -0.05 0.34 0.21 1.25 4.64 -1.98 0.22 113.55 118.17 3fa4 h SER 31 Ca 0.04 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 3fa4 h SER 31 Cb 0.11 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3fa4 h SER 31 CO -0.09 0.56 -0.10 0.00 -0.87 0.00 0.00 176.83 176.33 3fa4 h ALA 32 N 1.48 -0.28 -0.40 5.18 0.00 -1.50 -1.77 119.26 121.97 3fa4 h ALA 32 Ca 0.05 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3fa4 h ALA 32 Cb 0.54 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3fa4 h ALA 32 CO 0.04 -0.60 0.19 0.00 0.00 0.00 0.00 179.25 178.88 3fa4 h ARG 33 N -0.40 0.37 -0.98 0.00 2.47 -0.79 -1.75 114.38 113.29 3fa4 h ARG 33 Ca -0.03 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.69 3fa4 h ARG 33 Cb 0.31 -0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.49 3fa4 h ARG 33 CO 0.05 0.25 0.65 0.28 0.56 0.00 0.00 179.97 181.75 3fa4 h VAL 34 N 0.38 1.22 -0.32 2.04 2.07 -0.95 -1.69 116.25 119.01 3fa4 h VAL 34 Ca 0.18 -0.45 -0.16 0.00 0.82 0.00 0.00 66.70 67.08 3fa4 h VAL 34 Cb 0.10 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.67 3fa4 h VAL 34 CO -0.14 0.24 -0.46 0.00 0.02 0.00 0.00 177.57 177.23 3fa4 h ALA 35 N 1.38 0.59 -0.44 1.67 0.00 -1.06 -2.38 119.26 119.03 3fa4 h ALA 35 Ca 0.37 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3fa4 h ALA 35 Cb -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3fa4 h ALA 35 CO -0.09 0.68 0.26 -0.07 0.00 0.00 0.00 179.25 180.02 3fa4 h LEU 36 N 0.66 0.53 -1.78 0.00 4.07 -1.26 -2.57 115.31 114.96 3fa4 h LEU 36 Ca 0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 3fa4 h LEU 36 Cb 1.04 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.64 3fa4 h LEU 36 CO 0.10 0.44 -0.11 0.28 -1.08 0.00 0.00 178.44 178.08 3fa4 h SER 37 N 0.58 0.00 0.70 -0.43 0.02 -1.17 -2.02 113.55 111.23 3fa4 h SER 37 Ca 0.16 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3fa4 h SER 37 Cb 0.01 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3fa4 h SER 37 CO -0.03 0.11 0.00 0.00 -1.14 0.00 0.00 176.83 175.77 3fa4 n ALA 38 N -2.52 1.63 0.00 3.77 0.00 -0.91 -4.89 120.51 117.59 3fa4 n ALA 38 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3fa4 n ALA 38 Cb 0.18 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.06 1.37 3.72 0.00 0.00 -0.76 -5.09 105.19 104.37 3fa4 n GLY 39 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 3.61 -2.09 1.61 0.40 -1.11 -4.96 117.98 113.44 3fa4 s PHE 40 Ca 0.00 1.40 0.28 0.00 -0.60 0.00 0.00 56.93 58.02 3fa4 s PHE 40 Cb 0.00 -2.90 1.11 0.00 0.51 0.00 0.00 43.02 41.73 3fa4 s PHE 40 CO 0.00 0.07 1.78 -0.25 0.70 0.00 0.00 175.22 177.51 3fa4 n ASP 41 N 3.76 1.01 -3.73 1.36 8.00 -1.26 -4.67 116.55 121.03 3fa4 n ASP 41 Ca 0.01 -1.11 -0.12 0.00 0.71 0.00 0.00 54.79 54.28 3fa4 n ASP 41 Cb 0.51 0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.56 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 -2.22 -0.77 0.08 2.24 0.00 -1.25 -4.09 121.76 115.75 3fa4 s ALA 42 Ca 0.34 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.41 3fa4 s ALA 42 Cb 0.20 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 3fa4 s ALA 42 CO 0.41 -0.43 -0.12 -0.51 0.00 0.00 0.00 175.76 175.11 3fa4 s LEU 43 N -2.09 2.34 -0.19 0.00 1.43 -0.23 -4.13 118.68 115.81 3fa4 s LEU 43 Ca -0.05 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 3fa4 s LEU 43 Cb -0.01 -0.38 0.02 0.00 0.03 0.00 0.00 46.19 45.85 3fa4 s LEU 43 CO -0.04 -0.18 -0.16 -0.47 0.23 0.00 0.00 176.35 175.73 3fa4 s TYR 44 N -1.85 2.84 -0.51 0.29 5.04 -0.84 -0.43 117.35 121.87 3fa4 s TYR 44 Ca 0.01 -1.54 -0.21 0.00 -2.44 0.00 0.00 57.07 52.89 3fa4 s TYR 44 Cb -0.07 -1.96 0.05 0.00 0.35 0.00 0.00 41.96 40.33 3fa4 s TYR 44 CO 0.01 -0.76 0.76 1.41 -1.34 0.00 0.00 175.55 175.63 3fa4 s MET 45 N 1.32 3.23 0.13 4.97 -2.45 0.23 -0.97 119.30 125.77 3fa4 s MET 45 Ca 0.05 -0.55 -0.31 0.00 -1.25 0.00 0.00 55.69 53.63 3fa4 s MET 45 Cb -0.14 -4.06 -0.08 0.00 1.25 0.00 0.00 34.83 31.81 3fa4 s MET 45 CO -0.11 -1.30 1.34 -0.08 1.05 0.00 0.00 175.02 175.93 3fa4 s THR 46 N 3.21 3.36 0.17 10.11 -1.32 -1.11 -1.89 115.64 128.17 3fa4 s THR 46 Ca 0.23 1.02 0.00 0.00 -1.21 0.00 0.00 61.69 61.72 3fa4 s THR 46 Cb -0.16 -3.65 -0.12 0.00 -1.51 0.00 0.00 72.50 67.06 3fa4 s THR 46 CO 0.16 0.10 1.41 1.23 -2.21 0.00 0.00 174.62 175.31 3fa4 h GLY 47 N 6.39 0.35 0.03 6.08 0.00 -1.92 -1.58 103.07 112.41 3fa4 h GLY 47 Ca -0.43 -0.54 0.08 0.00 0.00 0.00 0.00 47.33 46.44 3fa4 h GLY 47 CO 0.83 0.48 -0.24 0.00 0.00 0.00 0.00 176.54 177.61 3fa4 h ALA 48 N 0.95 -0.04 -0.57 3.60 0.00 -1.97 -0.11 119.26 121.12 3fa4 h ALA 48 Ca -0.04 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3fa4 h ALA 48 Cb 1.39 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 3fa4 h ALA 48 CO 0.13 -0.63 0.14 0.78 0.00 0.00 0.00 179.25 179.67 3fa4 h GLY 49 N -0.19 0.99 0.67 0.00 0.00 -1.93 -2.21 103.07 100.40 3fa4 h GLY 49 Ca 0.17 -0.62 0.03 0.00 0.00 0.00 0.00 47.33 46.91 3fa4 h GLY 49 CO -0.46 0.58 -0.08 -0.84 0.00 0.00 0.00 176.54 175.74 3fa4 h THR 50 N 0.82 0.77 -0.65 4.70 2.02 -1.06 -0.46 112.91 119.04 3fa4 h THR 50 Ca 0.18 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.49 3fa4 h THR 50 Cb 0.35 0.77 -0.10 0.00 -1.74 0.00 0.00 68.15 67.43 3fa4 h THR 50 CO 0.00 0.00 0.08 0.00 0.37 0.00 0.00 175.52 175.97 3fa4 h ALA 51 N 0.99 0.73 -0.36 6.16 0.00 -0.95 0.28 119.26 126.11 3fa4 h ALA 51 Ca 0.07 0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 3fa4 h ALA 51 Cb 0.19 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3fa4 h ALA 51 CO -0.16 -0.36 -0.40 0.00 0.00 0.00 0.00 179.25 178.34 3fa4 h ALA 52 N 1.56 0.60 0.00 0.00 0.00 -1.04 -1.95 119.26 118.44 3fa4 h ALA 52 Ca 0.35 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3fa4 h ALA 52 Cb 0.57 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3fa4 h ALA 52 CO -0.50 0.68 -0.02 1.03 0.00 0.00 0.00 179.25 180.43 3fa4 h SER 53 N 0.72 0.00 0.57 0.00 0.87 -0.90 0.27 113.55 115.08 3fa4 h SER 53 Ca 0.06 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 3fa4 h SER 53 Cb 0.98 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 3fa4 h SER 53 CO 0.10 0.52 -0.24 -0.37 -0.53 0.00 0.00 176.83 176.31 3fa4 h VAL 54 N -1.00 0.76 0.00 2.23 -1.51 -1.11 -3.34 116.25 112.28 3fa4 h VAL 54 Ca -0.00 -0.98 0.00 0.00 -1.23 0.00 0.00 66.70 64.49 3fa4 h VAL 54 Cb 0.04 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 3fa4 h VAL 54 CO -0.00 0.23 -0.07 1.41 -1.23 0.00 0.00 177.57 177.92 3fa4 n HIS 55 N -3.66 0.00 -2.99 5.19 8.25 -0.84 -5.03 115.22 116.14 3fa4 n HIS 55 Ca -0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.23 3fa4 n HIS 55 Cb 0.36 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.50 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 0.88 -0.51 3.14 -1.41 0.00 0.95 -4.92 105.19 103.32 3fa4 n GLY 56 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -5.67 0.75 0.85 1.61 2.00 -1.08 -4.96 119.66 113.16 3fa4 s GLN 57 Ca 0.29 -1.07 -0.11 0.00 -2.00 0.00 0.00 55.36 52.47 3fa4 s GLN 57 Cb -0.13 -0.42 0.10 0.00 0.80 0.00 0.00 33.01 33.36 3fa4 s GLN 57 CO 0.36 0.06 1.09 0.00 -0.50 0.00 0.00 175.29 176.30 3fa4 s ALA 58 N -2.31 1.84 -1.18 1.58 0.00 -1.26 -3.01 121.76 117.42 3fa4 s ALA 58 Ca 0.02 -0.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.73 3fa4 s ALA 58 Cb -0.04 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 3fa4 s ALA 58 CO -0.01 -2.09 1.92 0.34 0.00 0.00 0.00 175.76 175.92 3fa4 s ASP 59 N -3.52 5.15 -0.12 0.00 3.68 -1.26 -4.67 116.67 115.93 3fa4 s ASP 59 Ca 0.62 -1.67 0.17 0.00 2.13 0.00 0.00 52.55 53.81 3fa4 s ASP 59 Cb -0.17 -2.59 0.26 0.00 -1.45 0.00 0.00 42.92 38.98 3fa4 s ASP 59 CO 0.56 -2.95 1.14 0.18 0.13 0.00 0.00 175.17 174.23 3fa4 n LEU 60 N 13.99 2.14 -1.48 -1.34 4.77 -1.26 -4.97 117.00 128.85 3fa4 n LEU 60 Ca 0.45 -2.90 -0.11 0.00 -0.03 0.00 0.00 56.01 53.41 3fa4 n LEU 60 Cb 0.47 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3fa4 n LEU 60 CO 0.68 0.67 -0.07 0.61 -1.33 0.00 0.00 177.39 177.94 3fa4 n GLY 61 N -1.31 -0.02 0.01 -0.72 0.00 -1.26 -4.94 105.19 96.95 3fa4 n GLY 61 Ca 0.15 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.91 3fa4 n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa4 n ILE 62 N -3.96 0.06 -3.07 -0.61 2.08 -1.26 -4.89 119.36 107.70 3fa4 n ILE 62 Ca -0.10 -0.10 -0.39 0.00 0.56 0.00 0.00 62.75 62.72 3fa4 n ILE 62 Cb 0.58 0.49 -0.05 0.00 -0.75 0.00 0.00 39.64 39.91 3fa4 n ILE 62 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3fa4 s THR 64 N 0.15 4.31 0.39 0.00 -1.32 -1.26 -4.92 115.64 113.00 3fa4 s THR 64 Ca 0.36 -0.71 0.06 0.00 -1.21 0.00 0.00 61.69 60.18 3fa4 s THR 64 Cb -0.19 -3.55 0.25 0.00 -1.51 0.00 0.00 72.50 67.50 3fa4 s THR 64 CO 0.20 -0.30 2.03 0.25 -2.21 0.00 0.00 174.62 174.58 3fa4 h LEU 65 N 0.70 0.52 -0.69 9.08 5.85 -1.98 -1.03 115.31 127.76 3fa4 h LEU 65 Ca -0.47 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.24 3fa4 h LEU 65 Cb 1.25 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 3fa4 h LEU 65 CO 0.57 0.40 0.45 0.78 -0.34 0.00 0.00 178.44 180.29 3fa4 h ASN 66 N 0.60 0.76 -0.13 1.25 4.21 -1.99 -0.53 115.58 119.75 3fa4 h ASN 66 Ca 0.16 -0.01 -0.10 0.00 1.21 0.00 0.00 56.30 57.55 3fa4 h ASN 66 Cb -0.02 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.00 3fa4 h ASN 66 CO -0.03 0.54 -0.32 0.44 -1.29 0.00 0.00 177.43 176.77 3fa4 h ASP 67 N 0.90 0.50 -0.17 5.81 3.32 -1.64 -2.41 116.42 122.74 3fa4 h ASP 67 Ca 0.26 -0.58 -0.14 0.00 0.02 0.00 0.00 57.03 56.58 3fa4 h ASP 67 Cb -0.07 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3fa4 h ASP 67 CO -0.07 0.99 -0.46 0.24 -1.72 0.00 0.00 179.24 178.22 3fa4 h MET 68 N 0.03 0.60 -0.50 3.56 2.86 -1.24 -2.89 114.93 117.36 3fa4 h MET 68 Ca -0.00 -0.43 -0.09 0.00 -2.06 0.00 0.00 59.70 57.12 3fa4 h MET 68 Cb 0.93 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 3fa4 h MET 68 CO 0.07 1.05 -0.07 -0.09 1.06 0.00 0.00 176.91 178.93 3fa4 h ARG 69 N 0.26 0.88 -0.23 1.72 1.12 -1.14 -1.00 114.38 115.99 3fa4 h ARG 69 Ca -0.01 -0.28 -0.00 0.00 -1.11 0.00 0.00 59.98 58.57 3fa4 h ARG 69 Cb 1.07 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.95 3fa4 h ARG 69 CO 0.10 0.92 0.13 0.00 -3.11 0.00 0.00 179.97 178.00 3fa4 h ALA 70 N 1.12 0.30 -0.49 2.80 0.00 -1.46 -0.97 119.26 120.57 3fa4 h ALA 70 Ca 0.14 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3fa4 h ALA 70 Cb 0.57 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3fa4 h ALA 70 CO 0.03 -0.17 -0.19 -0.97 0.00 0.00 0.00 179.25 177.95 3fa4 h ASN 71 N 0.26 1.00 -0.71 0.00 -1.24 -1.45 -1.95 115.58 111.49 3fa4 h ASN 71 Ca 0.08 -0.37 -0.07 0.00 0.71 0.00 0.00 56.30 56.66 3fa4 h ASN 71 Cb 0.07 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 38.82 3fa4 h ASN 71 CO -0.01 1.16 0.18 0.00 -1.29 0.00 0.00 177.43 177.47 3fa4 h ALA 72 N 0.92 0.97 -0.04 1.57 0.00 -1.15 -1.75 119.26 119.77 3fa4 h ALA 72 Ca 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3fa4 h ALA 72 Cb 0.76 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3fa4 h ALA 72 CO 0.06 0.67 0.02 1.49 0.00 0.00 0.00 179.25 181.49 3fa4 h GLU 73 N 1.08 0.06 -0.34 0.00 4.81 -1.01 -2.18 114.58 117.00 3fa4 h GLU 73 Ca 0.23 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.52 3fa4 h GLU 73 Cb 0.36 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.66 3fa4 h GLU 73 CO 0.00 0.15 -0.09 1.98 -0.73 0.00 0.00 179.01 180.32 3fa4 h MET 74 N -0.04 -0.01 -0.42 1.92 4.05 -1.35 -1.86 114.93 117.21 3fa4 h MET 74 Ca 0.01 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.29 3fa4 h MET 74 Cb 0.11 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 3fa4 h MET 74 CO -0.00 -0.01 -0.31 0.82 0.23 0.00 0.00 176.91 177.64 3fa4 h ILE 75 N -0.01 1.27 -0.18 1.77 2.04 -1.34 -1.58 117.51 119.48 3fa4 h ILE 75 Ca 0.16 -1.48 0.01 0.00 1.00 0.00 0.00 64.86 64.56 3fa4 h ILE 75 Cb 0.26 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3fa4 h ILE 75 CO -0.36 0.50 0.12 0.28 0.00 0.00 0.00 178.15 178.70 3fa4 h SER 76 N 0.79 0.19 -0.02 1.72 0.02 -1.35 -3.05 113.55 111.86 3fa4 h SER 76 Ca 0.08 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3fa4 h SER 76 Cb 0.89 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3fa4 h SER 76 CO 0.08 0.14 -0.29 0.59 -1.14 0.00 0.00 176.83 176.21 3fa4 n ASN 77 N -4.51 2.11 -0.19 3.07 3.02 -0.70 -3.30 115.26 114.75 3fa4 n ASN 77 Ca -0.00 -1.55 -0.00 0.00 -0.03 0.00 0.00 54.58 52.99 3fa4 n ASN 77 Cb 0.09 0.34 0.09 0.00 -0.61 0.00 0.00 39.78 39.69 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 2.72 0.57 -2.54 2.41 2.04 -1.19 -3.38 117.51 118.14 3fa4 h ILE 78 Ca 0.00 -0.05 -0.57 0.00 1.00 0.00 0.00 64.86 65.23 3fa4 h ILE 78 Cb 0.72 0.40 -0.39 0.00 -0.74 0.00 0.00 36.82 36.82 3fa4 h ILE 78 CO 0.00 0.03 -0.85 -0.55 0.00 0.00 0.00 178.15 176.78 3fa4 s SER 79 N -5.26 2.79 0.58 1.72 0.15 -1.26 -5.04 113.70 107.38 3fa4 s SER 79 Ca -0.13 -2.22 0.27 0.00 0.70 0.00 0.00 55.95 54.57 3fa4 s SER 79 Cb 0.18 -0.35 1.65 0.00 -1.71 0.00 0.00 66.02 65.78 3fa4 s SER 79 CO 0.73 -0.30 2.16 1.55 1.20 0.00 0.00 173.24 178.59 3fa4 h PRO 80 N 6.93 0.00 0.00 5.44 0.13 -1.74 -1.97 132.00 140.79 3fa4 h PRO 80 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3fa4 h PRO 80 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3fa4 h PRO 80 CO 0.26 0.00 -0.22 -1.13 -0.23 0.00 0.00 178.00 176.69 3fa4 n SER 81 N -3.96 0.39 -4.63 1.44 3.41 -1.26 -3.87 113.62 105.14 3fa4 n SER 81 Ca -0.00 0.27 -0.39 0.00 -0.26 0.00 0.00 58.87 58.48 3fa4 n SER 81 Cb 0.21 -0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 63.82 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 -3.04 5.12 0.18 6.66 2.01 -0.74 -4.86 115.64 120.96 3fa4 s THR 82 Ca 0.11 0.81 -0.33 0.00 0.31 0.00 0.00 61.69 62.59 3fa4 s THR 82 Cb 0.17 -3.79 -0.13 0.00 0.01 0.00 0.00 72.50 68.75 3fa4 s THR 82 CO 0.61 0.14 1.60 -2.65 -0.69 0.00 0.00 174.62 173.64 3fa4 n PRO 83 N 5.20 2.31 -4.43 4.92 -0.02 -1.26 -4.84 135.00 136.88 3fa4 n PRO 83 Ca -0.06 0.83 -0.33 0.00 -2.02 0.00 0.00 63.50 61.93 3fa4 n PRO 83 Cb 0.50 -2.61 -0.16 0.00 -0.02 0.00 0.00 33.50 31.21 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 0.88 2.35 -0.25 -1.45 1.01 -1.26 -1.06 120.40 120.61 3fa4 s VAL 84 Ca 0.77 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 3fa4 s VAL 84 Cb -0.63 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3fa4 s VAL 84 CO 0.38 0.53 0.28 -0.63 0.00 0.00 0.00 175.10 175.65 3fa4 s ILE 85 N 0.98 5.26 -0.12 2.22 1.01 0.43 -1.78 121.20 129.20 3fa4 s ILE 85 Ca -0.02 0.40 0.01 0.00 0.00 0.00 0.00 60.65 61.04 3fa4 s ILE 85 Cb -0.15 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 3fa4 s ILE 85 CO -0.04 0.25 -0.16 0.00 0.00 0.00 0.00 174.94 174.98 3fa4 s ALA 86 N 1.57 2.48 0.12 9.38 0.00 -0.16 0.76 121.76 135.91 3fa4 s ALA 86 Ca 0.12 -0.93 -0.34 0.00 0.00 0.00 0.00 51.96 50.81 3fa4 s ALA 86 Cb -0.15 -1.10 -0.17 0.00 0.00 0.00 0.00 23.12 21.70 3fa4 s ALA 86 CO 0.08 0.23 1.11 -3.47 0.00 0.00 0.00 175.76 173.71 3fa4 n ASP 87 N 3.58 0.83 -0.76 0.00 2.03 -0.79 -1.77 116.55 119.68 3fa4 n ASP 87 Ca -0.18 1.14 0.05 0.00 0.52 0.00 0.00 54.79 56.32 3fa4 n ASP 87 Cb 0.53 -1.12 0.09 0.00 -0.72 0.00 0.00 41.12 39.90 3fa4 n ASP 87 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fa4 n ALA 88 N 1.51 2.65 -0.50 -1.67 0.00 -0.52 -4.76 120.51 117.22 3fa4 n ALA 88 Ca 0.17 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 51.20 3fa4 n ALA 88 Cb 0.20 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.45 0.00 -1.49 0.00 8.00 -1.20 -0.39 116.55 121.03 3fa4 n ASP 89 Ca 0.11 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.70 3fa4 n ASP 89 Cb 0.83 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 42.26 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 1.57 -1.00 -3.53 -2.24 -1.26 -1.42 114.28 106.40 3fa4 n THR 90 Ca 0.00 -1.08 -0.00 0.00 -2.27 0.00 0.00 64.05 60.70 3fa4 n THR 90 Cb 0.00 0.17 -0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 1.22 0.40 2.62 3.38 0.00 0.48 -4.39 105.19 108.91 3fa4 n GLY 91 Ca 0.24 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.79 -1.34 0.00 1.61 4.02 -1.26 -2.49 117.16 114.91 3fa4 n TYR 92 Ca -0.00 0.30 0.00 0.00 -0.01 0.00 0.00 57.90 58.19 3fa4 n TYR 92 Cb 0.11 -3.65 0.00 0.00 -0.02 0.00 0.00 39.34 35.78 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 -1.27 0.89 1.88 2.72 0.00 -1.26 -4.81 105.19 103.35 3fa4 n GLY 93 Ca -0.12 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.99 0.43 -0.02 0.00 -1.26 -4.48 105.19 98.88 3fa4 n GLY 94 Ca 0.00 -1.74 0.24 0.00 0.00 0.00 0.00 46.02 44.52 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 0.26 0.21 1.61 0.11 -1.95 0.16 132.00 132.39 3fa4 h PRO 95 Ca -0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3fa4 h PRO 95 Cb 0.58 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3fa4 h PRO 95 CO 0.15 0.17 -0.19 0.82 -0.21 0.00 0.00 178.00 178.74 3fa4 h ILE 96 N 0.26 0.58 0.06 4.15 1.08 -1.97 -0.92 117.51 120.76 3fa4 h ILE 96 Ca 0.51 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.97 3fa4 h ILE 96 Cb 1.52 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 3fa4 h ILE 96 CO -0.15 0.00 -0.03 0.24 -0.69 0.00 0.00 178.15 177.52 3fa4 h MET 97 N -0.43 -0.08 -1.27 2.37 2.86 -1.40 -2.75 114.93 114.23 3fa4 h MET 97 Ca -0.00 0.01 0.38 0.00 -2.06 0.00 0.00 59.70 58.02 3fa4 h MET 97 Cb 0.39 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 31.97 3fa4 h MET 97 CO -0.04 0.25 0.84 0.28 1.06 0.00 0.00 176.91 179.31 3fa4 h VAL 98 N -0.42 0.28 0.05 -2.22 2.07 -0.44 -0.57 116.25 114.98 3fa4 h VAL 98 Ca -0.01 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3fa4 h VAL 98 Cb 0.37 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3fa4 h VAL 98 CO 0.01 0.03 -0.02 0.00 0.02 0.00 0.00 177.57 177.61 3fa4 h ALA 99 N 1.53 -0.06 -0.63 1.67 0.00 -1.07 -2.52 119.26 118.17 3fa4 h ALA 99 Ca 0.72 -0.30 0.13 0.00 0.00 0.00 0.00 54.91 55.47 3fa4 h ALA 99 Cb 2.31 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 20.02 3fa4 h ALA 99 CO -0.29 -0.21 0.09 0.00 0.00 0.00 0.00 179.25 178.84 3fa4 h ARG 100 N -0.71 0.19 -0.37 0.00 3.08 -1.13 -1.04 114.38 114.39 3fa4 h ARG 100 Ca -0.01 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.10 3fa4 h ARG 100 Cb 0.61 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.55 3fa4 h ARG 100 CO 0.01 0.13 -0.06 1.15 -1.07 0.00 0.00 179.97 180.13 3fa4 h THR 101 N 0.20 0.66 -0.43 2.04 2.02 -1.14 -0.68 112.91 115.59 3fa4 h THR 101 Ca 0.34 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.47 3fa4 h THR 101 Cb 0.53 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3fa4 h THR 101 CO -0.47 0.01 0.14 0.74 0.37 0.00 0.00 175.52 176.30 3fa4 h THR 102 N 0.04 1.22 -0.25 3.16 2.02 -1.07 -0.13 112.91 117.90 3fa4 h THR 102 Ca 0.18 -0.71 -0.15 0.00 0.77 0.00 0.00 66.41 66.50 3fa4 h THR 102 Cb 0.27 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3fa4 h THR 102 CO -0.35 0.25 -0.42 -0.33 0.37 0.00 0.00 175.52 175.03 3fa4 h GLU 103 N 0.55 0.73 -0.41 6.66 5.08 -1.01 -1.73 114.58 124.44 3fa4 h GLU 103 Ca 0.14 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 3fa4 h GLU 103 Cb 0.25 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3fa4 h GLU 103 CO -0.01 1.07 0.03 1.96 -1.00 0.00 0.00 179.01 181.07 3fa4 h GLN 104 N 0.46 0.71 -0.74 2.33 4.20 -1.03 -1.91 115.11 119.12 3fa4 h GLN 104 Ca 0.02 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 3fa4 h GLN 104 Cb 1.02 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 3fa4 h GLN 104 CO 0.10 0.77 0.33 1.88 -0.67 0.00 0.00 178.83 181.24 3fa4 h TYR 105 N 0.55 1.09 0.62 2.96 -1.99 -0.89 -2.14 116.97 117.17 3fa4 h TYR 105 Ca 0.12 -0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 3fa4 h TYR 105 Cb 0.43 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.81 3fa4 h TYR 105 CO 0.03 0.82 -0.44 0.77 -0.00 0.00 0.00 178.16 179.33 3fa4 h SER 106 N 1.05 -1.16 -1.08 3.88 0.02 -1.22 -1.78 113.55 113.25 3fa4 h SER 106 Ca 0.25 0.08 0.30 0.00 -0.84 0.00 0.00 61.79 61.57 3fa4 h SER 106 Cb 0.15 0.35 -0.07 0.00 0.14 0.00 0.00 62.40 62.98 3fa4 h SER 106 CO -0.03 -0.65 0.74 0.03 -1.14 0.00 0.00 176.83 175.78 3fa4 h ARG 107 N -1.02 0.21 0.00 3.45 3.08 -1.32 -0.21 114.38 118.57 3fa4 h ARG 107 Ca -0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3fa4 h ARG 107 Cb 0.84 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3fa4 h ARG 107 CO 0.04 0.14 0.00 0.43 -1.07 0.00 0.00 179.97 179.51 3fa4 n SER 108 N -4.44 0.37 0.00 7.04 7.64 -0.81 -4.92 113.62 118.50 3fa4 n SER 108 Ca 0.25 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.71 3fa4 n SER 108 Cb 1.03 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.22 0.75 3.71 0.23 0.00 -0.09 -4.61 105.19 105.40 3fa4 n GLY 109 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.15 4.39 0.07 1.61 1.01 -0.71 -4.43 120.40 120.19 3fa4 s VAL 110 Ca 0.00 1.73 -0.14 0.00 0.00 0.00 0.00 61.98 63.58 3fa4 s VAL 110 Cb 0.00 -4.11 -0.25 0.00 0.00 0.00 0.00 36.38 32.02 3fa4 s VAL 110 CO 0.00 0.15 1.17 0.00 0.00 0.00 0.00 175.10 176.41 3fa4 h ALA 111 N 6.69 0.09 -2.51 5.51 0.00 -1.67 -3.41 119.26 123.95 3fa4 h ALA 111 Ca -0.42 -0.72 -0.09 0.00 0.00 0.00 0.00 54.91 53.68 3fa4 h ALA 111 Cb 1.22 0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.91 3fa4 h ALA 111 CO 0.78 0.69 -0.18 0.00 0.00 0.00 0.00 179.25 180.54 3fa4 s ALA 112 N -3.22 -0.87 0.08 0.00 0.00 -0.97 -1.49 121.76 115.30 3fa4 s ALA 112 Ca -0.10 0.23 -0.09 0.00 0.00 0.00 0.00 51.96 52.01 3fa4 s ALA 112 Cb 0.07 0.28 -0.00 0.00 0.00 0.00 0.00 23.12 23.46 3fa4 s ALA 112 CO 0.93 -0.40 0.19 -0.59 0.00 0.00 0.00 175.76 175.88 3fa4 s PHE 113 N -2.25 0.13 -0.03 0.00 -0.12 -0.84 -0.99 117.98 113.88 3fa4 s PHE 113 Ca -0.07 -0.53 0.07 0.00 -0.05 0.00 0.00 56.93 56.36 3fa4 s PHE 113 Cb -0.02 -0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.30 3fa4 s PHE 113 CO -0.01 -0.52 -0.25 -3.38 -0.05 0.00 0.00 175.22 171.01 3fa4 s HIS 114 N -3.62 2.39 -0.06 3.49 -3.43 -0.73 -1.97 115.29 111.36 3fa4 s HIS 114 Ca 0.03 -0.49 0.04 0.00 -0.80 0.00 0.00 55.06 53.84 3fa4 s HIS 114 Cb 0.04 -1.54 -0.02 0.00 -1.43 0.00 0.00 32.58 29.63 3fa4 s HIS 114 CO -0.10 -0.07 -0.20 0.42 -2.00 0.00 0.00 174.74 172.80 3fa4 s ILE 115 N -0.50 2.54 0.41 -5.38 1.01 -0.69 -1.43 121.20 117.16 3fa4 s ILE 115 Ca 0.07 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.88 3fa4 s ILE 115 Cb -0.11 -1.97 -0.07 0.00 0.01 0.00 0.00 42.46 40.32 3fa4 s ILE 115 CO 0.00 0.57 0.02 -1.83 0.00 0.00 0.00 174.94 173.70 3fa4 s GLU 116 N -0.28 1.95 -0.09 2.79 -1.05 -0.50 -0.74 118.70 120.77 3fa4 s GLU 116 Ca 0.01 -2.11 0.19 0.00 -0.15 0.00 0.00 54.97 52.91 3fa4 s GLU 116 Cb -0.13 -1.55 0.71 0.00 -0.44 0.00 0.00 34.13 32.72 3fa4 s GLU 116 CO 0.03 -0.09 1.61 -0.40 0.95 0.00 0.00 175.26 177.36 3fa4 n ASP 117 N -0.97 4.60 -4.79 0.83 5.68 -1.24 -4.65 116.55 116.00 3fa4 n ASP 117 Ca -0.06 -2.35 -0.31 0.00 -0.50 0.00 0.00 54.79 51.58 3fa4 n ASP 117 Cb 0.67 -0.56 0.08 0.00 -1.14 0.00 0.00 41.12 40.17 3fa4 n ASP 117 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3fa4 s GLN 118 N -1.66 2.47 0.41 0.11 -0.21 -1.26 -0.95 119.66 118.57 3fa4 s GLN 118 Ca 0.51 0.95 -0.24 0.00 0.02 0.00 0.00 55.36 56.59 3fa4 s GLN 118 Cb 0.31 -1.94 -0.08 0.00 1.00 0.00 0.00 33.01 32.30 3fa4 s GLN 118 CO 0.27 -1.43 1.14 0.14 -2.12 0.00 0.00 175.29 173.28 3fa4 s VAL 119 N -3.02 3.30 0.09 1.09 -7.23 -0.72 -4.54 120.40 109.37 3fa4 s VAL 119 Ca 0.60 1.04 -0.32 0.00 -1.81 0.00 0.00 61.98 61.49 3fa4 s VAL 119 Cb -0.15 -3.56 -0.15 0.00 0.56 0.00 0.00 36.38 33.08 3fa4 s VAL 119 CO 0.55 0.05 1.61 -0.61 -0.31 0.00 0.00 175.10 176.40 3fa4 h GLN 120 N 2.50 -0.77 -4.86 4.82 4.15 -1.95 -3.41 115.11 115.58 3fa4 h GLN 120 Ca -0.49 0.05 -0.68 0.00 0.77 0.00 0.00 58.65 58.31 3fa4 h GLN 120 Cb 1.23 0.18 -0.33 0.00 0.21 0.00 0.00 27.48 28.77 3fa4 h GLN 120 CO 0.62 -0.51 -0.75 -0.08 -1.93 0.00 0.00 178.83 176.18 3fa4 s THR 121 N -6.01 2.76 0.70 2.39 -1.32 -1.26 -4.91 115.64 107.98 3fa4 s THR 121 Ca -0.17 -1.24 -0.11 0.00 -1.21 0.00 0.00 61.69 58.96 3fa4 s THR 121 Cb 0.05 -2.49 0.01 0.00 -1.51 0.00 0.00 72.50 68.56 3fa4 s THR 121 CO 0.63 0.07 1.06 -0.54 -2.21 0.00 0.00 174.62 173.63 3fa4 s LYS 122 N 1.26 2.95 0.00 7.08 -0.14 -1.26 -5.16 119.74 124.47 3fa4 s LYS 122 Ca -0.03 0.81 0.00 0.00 -1.36 0.00 0.00 55.97 55.39 3fa4 s LYS 122 Cb -0.18 -2.00 0.00 0.00 -1.68 0.00 0.00 37.83 33.97 3fa4 s LYS 122 CO -0.04 -1.05 0.80 0.54 -0.76 0.00 0.00 175.35 174.84 3fa4 n ARG 123 N -3.08 0.00 -2.20 1.68 3.00 -1.26 -5.19 116.66 109.62 3fa4 n ARG 123 Ca 0.07 -0.77 -0.41 0.00 -0.01 0.00 0.00 57.85 56.73 3fa4 n ARG 123 Cb 0.54 -0.46 -0.03 0.00 0.00 0.00 0.00 32.46 32.52 3fa4 n ARG 123 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3fa4 s LYS 130 N 0.00 4.38 -0.08 5.56 1.02 -1.26 -5.36 119.74 123.99 3fa4 s LYS 130 Ca 0.00 2.08 0.01 0.00 0.02 0.00 0.00 55.97 58.08 3fa4 s LYS 130 Cb 0.00 -3.18 0.02 0.00 -0.52 0.00 0.00 37.83 34.15 3fa4 s LYS 130 CO 0.00 -0.26 -0.11 0.42 -0.92 0.00 0.00 175.35 174.49 3fa4 s ILE 131 N 0.03 1.10 0.45 2.17 -1.09 -1.26 -5.01 121.20 117.58 3fa4 s ILE 131 Ca 0.56 -0.41 0.07 0.00 -2.23 0.00 0.00 60.65 58.65 3fa4 s ILE 131 Cb -0.37 -1.04 -0.01 0.00 -1.58 0.00 0.00 42.46 39.46 3fa4 s ILE 131 CO 0.39 0.36 0.37 -0.76 -1.23 0.00 0.00 174.94 174.07 3fa4 s LEU 132 N 1.05 3.18 0.44 2.97 1.43 -1.26 -1.75 118.68 124.73 3fa4 s LEU 132 Ca -0.07 -0.91 0.08 0.00 -1.03 0.00 0.00 54.13 52.19 3fa4 s LEU 132 Cb -0.15 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 3fa4 s LEU 132 CO -0.01 -0.77 0.44 0.54 0.23 0.00 0.00 176.35 176.78 3fa4 s VAL 133 N -2.57 2.59 1.03 -1.59 0.11 -0.13 -4.62 120.40 115.22 3fa4 s VAL 133 Ca 0.44 -1.28 -0.15 0.00 -2.93 0.00 0.00 61.98 58.07 3fa4 s VAL 133 Cb -0.02 -2.87 0.20 0.00 -1.53 0.00 0.00 36.38 32.17 3fa4 s VAL 133 CO 0.26 0.00 1.15 1.51 -3.33 0.00 0.00 175.10 174.69 3fa4 s ASP 134 N -4.22 2.48 0.26 3.54 -4.77 -1.26 -4.83 116.67 107.86 3fa4 s ASP 134 Ca 0.49 0.77 -0.00 0.00 -3.30 0.00 0.00 52.55 50.50 3fa4 s ASP 134 Cb -0.04 -1.16 0.33 0.00 -1.09 0.00 0.00 42.92 40.95 3fa4 s ASP 134 CO 0.29 -3.17 1.70 0.74 0.70 0.00 0.00 175.17 175.42 3fa4 h THR 135 N -1.93 1.26 -0.56 2.11 2.02 -1.98 -2.41 112.91 111.42 3fa4 h THR 135 Ca -0.48 -1.25 -0.08 0.00 0.77 0.00 0.00 66.41 65.37 3fa4 h THR 135 Cb 1.30 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 3fa4 h THR 135 CO 0.48 0.41 0.05 0.44 0.37 0.00 0.00 175.52 177.28 3fa4 h ASP 136 N 0.55 0.93 -0.70 4.18 3.32 -1.98 0.16 116.42 122.88 3fa4 h ASP 136 Ca 0.08 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 3fa4 h ASP 136 Cb 0.66 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3fa4 h ASP 136 CO 0.05 0.98 0.25 0.74 -1.72 0.00 0.00 179.24 179.54 3fa4 h THR 137 N 0.85 1.25 0.21 0.35 2.02 -1.91 -0.42 112.91 115.27 3fa4 h THR 137 Ca 0.17 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 3fa4 h THR 137 Cb 0.47 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3fa4 h THR 137 CO 0.02 0.33 -0.10 0.22 0.37 0.00 0.00 175.52 176.35 3fa4 h TYR 138 N 1.04 -0.26 0.00 3.16 3.20 -1.22 -2.54 116.97 120.35 3fa4 h TYR 138 Ca 0.24 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 3fa4 h TYR 138 Cb 0.25 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 3fa4 h TYR 138 CO 0.02 -0.00 -0.07 0.28 -1.64 0.00 0.00 178.16 176.75 3fa4 h VAL 139 N -0.50 0.97 -0.75 1.81 2.07 -0.86 -1.27 116.25 117.72 3fa4 h VAL 139 Ca -0.03 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 3fa4 h VAL 139 Cb 0.38 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3fa4 h VAL 139 CO 0.05 0.07 0.23 0.74 0.02 0.00 0.00 177.57 178.68 3fa4 h THR 140 N 0.00 1.26 -0.25 2.57 2.02 -0.98 0.40 112.91 117.93 3fa4 h THR 140 Ca -0.00 -0.92 0.02 0.00 0.77 0.00 0.00 66.41 66.28 3fa4 h THR 140 Cb 0.13 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 3fa4 h THR 140 CO 0.01 0.36 0.11 0.03 0.37 0.00 0.00 175.52 176.41 3fa4 h ARG 141 N 1.11 0.24 -0.05 6.66 3.08 -0.81 -0.82 114.38 123.80 3fa4 h ARG 141 Ca 0.24 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.12 3fa4 h ARG 141 Cb 0.31 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3fa4 h ARG 141 CO -0.01 0.16 -0.66 0.82 -1.07 0.00 0.00 179.97 179.21 3fa4 h ILE 142 N 0.25 1.42 -0.16 2.04 1.08 -1.13 -2.76 117.51 118.25 3fa4 h ILE 142 Ca 0.10 -2.13 -0.22 0.00 -0.39 0.00 0.00 64.86 62.23 3fa4 h ILE 142 Cb 0.04 2.11 0.01 0.00 -3.07 0.00 0.00 36.82 35.91 3fa4 h ILE 142 CO -0.08 0.62 -0.76 -0.09 -0.69 0.00 0.00 178.15 177.15 3fa4 h ARG 143 N 0.14 0.76 -0.16 2.37 2.43 -0.80 -1.87 114.38 117.24 3fa4 h ARG 143 Ca -0.01 -0.61 0.02 0.00 -0.81 0.00 0.00 59.98 58.57 3fa4 h ARG 143 Cb 1.18 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 3fa4 h ARG 143 CO 0.10 1.22 0.11 0.00 -1.51 0.00 0.00 179.97 179.89 3fa4 h ALA 144 N 0.61 1.99 0.03 2.80 0.00 -0.89 -1.44 119.26 122.37 3fa4 h ALA 144 Ca -0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3fa4 h ALA 144 Cb 1.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3fa4 h ALA 144 CO 0.15 -0.02 -0.29 0.00 0.00 0.00 0.00 179.25 179.09 3fa4 h ALA 145 N 1.91 0.00 -0.06 0.00 0.00 -1.44 -2.05 119.26 117.62 3fa4 h ALA 145 Ca 0.07 -0.60 0.02 0.00 0.00 0.00 0.00 54.91 54.39 3fa4 h ALA 145 Cb 0.11 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3fa4 h ALA 145 CO -0.01 0.15 -0.05 0.28 0.00 0.00 0.00 179.25 179.62 3fa4 h VAL 146 N -0.85 0.86 -0.73 0.00 2.07 -1.14 -1.78 116.25 114.67 3fa4 h VAL 146 Ca -0.06 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3fa4 h VAL 146 Cb 1.18 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 3fa4 h VAL 146 CO 0.02 0.00 0.30 1.56 0.02 0.00 0.00 177.57 179.47 3fa4 h GLN 147 N -0.06 1.08 -0.19 1.57 4.20 -1.37 -1.57 115.11 118.78 3fa4 h GLN 147 Ca 0.04 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 3fa4 h GLN 147 Cb 0.12 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3fa4 h GLN 147 CO -0.10 0.87 0.08 0.00 -0.67 0.00 0.00 178.83 179.02 3fa4 h ALA 148 N 1.27 0.25 -0.20 3.87 0.00 -1.20 -1.64 119.26 121.60 3fa4 h ALA 148 Ca 0.25 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3fa4 h ALA 148 Cb 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3fa4 h ALA 148 CO -0.02 -0.18 -0.48 0.07 0.00 0.00 0.00 179.25 178.64 3fa4 h ARG 149 N 0.17 0.53 -0.26 0.00 0.11 -0.98 -3.14 114.38 110.81 3fa4 h ARG 149 Ca 0.06 -0.30 0.02 0.00 0.10 0.00 0.00 59.98 59.86 3fa4 h ARG 149 Cb 0.14 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.22 3fa4 h ARG 149 CO -0.01 0.90 0.12 1.96 0.10 0.00 0.00 179.97 183.04 3fa4 h GLN 150 N 0.42 0.25 -1.01 0.08 4.20 -1.15 -0.14 115.11 117.78 3fa4 h GLN 150 Ca 0.02 -0.02 0.23 0.00 0.06 0.00 0.00 58.65 58.94 3fa4 h GLN 150 Cb 1.00 -0.06 -0.11 0.00 0.30 0.00 0.00 27.48 28.61 3fa4 h GLN 150 CO 0.09 0.17 0.61 0.00 -0.67 0.00 0.00 178.83 179.03 3fa4 h ARG 151 N 0.26 0.60 -0.25 1.46 3.08 -1.25 -2.73 114.38 115.55 3fa4 h ARG 151 Ca 0.11 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3fa4 h ARG 151 Cb 0.04 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3fa4 h ARG 151 CO -0.08 0.40 0.00 0.44 -1.07 0.00 0.00 179.97 179.65 3fa4 n ILE 152 N -4.79 0.32 -2.05 2.04 -5.35 -1.10 -4.97 119.36 103.46 3fa4 n ILE 152 Ca 0.25 -0.66 -0.13 0.00 -0.27 0.00 0.00 62.75 61.94 3fa4 n ILE 152 Cb 0.70 1.17 -0.02 0.00 -1.74 0.00 0.00 39.64 39.75 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 1.39 0.19 3.76 3.28 0.00 -0.74 -5.01 105.19 108.06 3fa4 n GLY 153 Ca 0.17 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.51 7.38 0.00 1.61 0.15 -0.14 -4.97 113.70 115.22 3fa4 s SER 154 Ca 0.00 1.64 0.26 0.00 0.70 0.00 0.00 55.95 58.56 3fa4 s SER 154 Cb 0.00 -2.51 0.83 0.00 -1.71 0.00 0.00 66.02 62.62 3fa4 s SER 154 CO 0.00 0.11 1.62 0.47 1.20 0.00 0.00 173.24 176.64 3fa4 n ASP 155 N 2.09 1.88 -4.62 5.45 8.00 -1.26 -4.54 116.55 123.54 3fa4 n ASP 155 Ca -0.03 -1.64 -0.57 0.00 0.71 0.00 0.00 54.79 53.26 3fa4 n ASP 155 Cb 0.49 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.47 0.08 -2.65 0.53 3.06 -1.26 -4.65 119.36 114.93 3fa4 n ILE 156 Ca 0.18 -0.01 -0.42 0.00 -2.50 0.00 0.00 62.75 59.99 3fa4 n ILE 156 Cb 0.41 -0.69 -0.03 0.00 0.54 0.00 0.00 39.64 39.87 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 1.49 4.70 -0.37 9.51 1.01 -0.55 -4.98 120.40 131.21 3fa4 s VAL 157 Ca 0.92 1.96 -0.15 0.00 0.00 0.00 0.00 61.98 64.71 3fa4 s VAL 157 Cb -1.13 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 30.99 3fa4 s VAL 157 CO 0.59 0.07 0.32 -0.69 0.00 0.00 0.00 175.10 175.39 3fa4 s VAL 158 N 1.56 5.22 -0.33 2.92 1.01 -1.26 -1.98 120.40 127.54 3fa4 s VAL 158 Ca 0.51 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 3fa4 s VAL 158 Cb -0.21 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 3fa4 s VAL 158 CO 0.23 -0.17 0.18 -0.63 0.00 0.00 0.00 175.10 174.71 3fa4 s ILE 159 N 1.85 4.76 -0.38 2.22 1.01 -0.83 -0.82 121.20 129.00 3fa4 s ILE 159 Ca 0.08 -0.43 -0.24 0.00 0.00 0.00 0.00 60.65 60.05 3fa4 s ILE 159 Cb -0.18 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.84 3fa4 s ILE 159 CO 0.11 0.01 0.85 0.00 0.00 0.00 0.00 174.94 175.91 3fa4 s ALA 160 N 1.63 3.39 0.05 9.38 0.00 0.02 -1.70 121.76 134.52 3fa4 s ALA 160 Ca 0.05 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3fa4 s ALA 160 Cb -0.17 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 3fa4 s ALA 160 CO 0.07 -1.63 0.09 0.50 0.00 0.00 0.00 175.76 174.79 3fa4 s ARG 161 N 3.33 3.00 -0.07 0.00 3.52 0.08 -0.44 118.95 128.38 3fa4 s ARG 161 Ca 0.34 -0.59 0.02 0.00 -0.13 0.00 0.00 55.73 55.37 3fa4 s ARG 161 Cb -0.12 -2.80 0.01 0.00 -1.56 0.00 0.00 34.95 30.48 3fa4 s ARG 161 CO 0.19 0.60 -0.11 -0.08 -0.81 0.00 0.00 175.30 175.09 3fa4 s THR 162 N -1.32 1.06 -0.39 4.11 -1.32 -0.31 -3.68 115.64 113.80 3fa4 s THR 162 Ca 0.27 -0.43 0.06 0.00 -1.21 0.00 0.00 61.69 60.38 3fa4 s THR 162 Cb -0.12 -0.99 0.63 0.00 -1.51 0.00 0.00 72.50 70.52 3fa4 s THR 162 CO 0.19 0.34 1.79 0.47 -2.21 0.00 0.00 174.62 175.20 3fa4 n ASP 163 N 3.89 4.03 0.00 8.08 8.00 -1.26 -2.19 116.55 137.10 3fa4 n ASP 163 Ca -0.23 -3.32 0.11 0.00 0.71 0.00 0.00 54.79 52.07 3fa4 n ASP 163 Cb 0.52 -0.78 0.14 0.00 -0.02 0.00 0.00 41.12 40.98 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 -0.66 0.63 -0.28 -2.24 3.41 -1.26 -4.31 113.62 108.92 3fa4 n SER 164 Ca 0.48 -0.40 0.07 0.00 -0.26 0.00 0.00 58.87 58.76 3fa4 n SER 164 Cb 1.47 0.46 0.19 0.00 -0.26 0.00 0.00 64.21 66.07 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 -0.35 0.14 1.04 5.85 -1.82 0.75 115.31 120.91 3fa4 h LEU 165 Ca 0.00 0.21 -0.18 0.00 0.84 0.00 0.00 57.88 58.75 3fa4 h LEU 165 Cb 0.53 0.37 0.02 0.00 0.37 0.00 0.00 40.66 41.94 3fa4 h LEU 165 CO 0.00 -0.20 -0.79 0.06 -0.34 0.00 0.00 178.44 177.17 3fa4 h GLN 166 N 0.10 0.29 0.00 1.25 3.07 -1.89 -2.81 115.11 115.12 3fa4 h GLN 166 Ca 0.45 -0.49 -0.18 0.00 0.09 0.00 0.00 58.65 58.52 3fa4 h GLN 166 Cb 0.83 0.18 -0.03 0.00 0.08 0.00 0.00 27.48 28.55 3fa4 h GLN 166 CO -0.71 1.24 -0.84 1.79 0.09 0.00 0.00 178.83 180.39 3fa4 h THR 167 N -0.40 1.49 0.00 1.86 1.35 -1.66 -3.39 112.91 112.16 3fa4 h THR 167 Ca -0.14 -2.99 0.00 0.00 -0.55 0.00 0.00 66.41 62.73 3fa4 h THR 167 Cb 1.62 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 70.70 3fa4 h THR 167 CO 0.15 0.82 -0.70 1.41 -0.25 0.00 0.00 175.52 176.94 3fa4 n HIS 168 N -3.38 0.00 0.00 4.73 8.25 0.21 -5.11 115.22 119.92 3fa4 n HIS 168 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3fa4 n HIS 168 Cb 0.85 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.96 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 2.18 2.14 0.31 -1.41 0.00 -0.91 -4.57 105.19 102.92 3fa4 n GLY 169 Ca 0.00 -2.03 -0.03 0.00 0.00 0.00 0.00 46.02 43.96 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 0.89 -0.58 1.61 3.20 -1.86 -2.05 116.97 118.19 3fa4 h TYR 170 Ca 0.00 -0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.73 3fa4 h TYR 170 Cb 0.00 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 3fa4 h TYR 170 CO 0.00 0.72 0.08 0.93 -1.64 0.00 0.00 178.16 178.25 3fa4 h GLU 171 N 0.85 0.96 -0.34 1.82 4.39 -1.96 -0.82 114.58 119.48 3fa4 h GLU 171 Ca 0.19 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 3fa4 h GLU 171 Cb 0.25 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3fa4 h GLU 171 CO -0.01 0.92 0.09 1.49 -1.16 0.00 0.00 179.01 180.34 3fa4 h GLU 172 N 0.86 0.54 -0.89 2.33 4.57 -1.77 -2.05 114.58 118.17 3fa4 h GLU 172 Ca 0.17 -0.13 0.18 0.00 -1.18 0.00 0.00 59.36 58.40 3fa4 h GLU 172 Cb 0.43 -0.07 -0.11 0.00 -0.16 0.00 0.00 28.75 28.84 3fa4 h GLU 172 CO 0.01 0.59 0.45 0.77 -1.18 0.00 0.00 179.01 179.66 3fa4 h SER 173 N 0.40 0.50 -0.06 1.04 0.02 -1.28 -1.30 113.55 112.87 3fa4 h SER 173 Ca 0.11 0.11 -0.23 0.00 -0.84 0.00 0.00 61.79 60.95 3fa4 h SER 173 Cb 0.29 0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.89 3fa4 h SER 173 CO 0.00 0.15 -0.82 0.58 -1.14 0.00 0.00 176.83 175.60 3fa4 h VAL 174 N 0.56 1.29 -0.33 2.27 2.07 -0.90 -1.38 116.25 119.83 3fa4 h VAL 174 Ca 0.52 -2.05 0.01 0.00 0.82 0.00 0.00 66.70 65.99 3fa4 h VAL 174 Cb 0.84 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 3fa4 h VAL 174 CO -0.42 0.64 0.20 0.00 0.02 0.00 0.00 177.57 178.01 3fa4 h ALA 175 N 0.59 0.42 -0.86 1.67 0.00 -0.95 0.71 119.26 120.82 3fa4 h ALA 175 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3fa4 h ALA 175 Cb 1.45 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 3fa4 h ALA 175 CO 0.16 -0.16 0.49 0.00 0.00 0.00 0.00 179.25 179.74 3fa4 h ARG 176 N 0.41 1.19 -0.08 0.00 3.08 -1.29 0.19 114.38 117.89 3fa4 h ARG 176 Ca 0.13 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3fa4 h ARG 176 Cb -0.01 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 3fa4 h ARG 176 CO -0.05 0.87 0.03 -0.07 -1.07 0.00 0.00 179.97 179.67 3fa4 h LEU 177 N 1.20 0.10 -1.20 3.04 3.38 -0.83 -1.29 115.31 119.71 3fa4 h LEU 177 Ca 0.31 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.19 3fa4 h LEU 177 Cb 0.01 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 3fa4 h LEU 177 CO -0.05 0.24 0.57 0.03 0.09 0.00 0.00 178.44 179.31 3fa4 h ARG 178 N -0.03 0.92 0.00 1.13 3.08 -0.82 -1.72 114.38 116.93 3fa4 h ARG 178 Ca 0.03 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3fa4 h ARG 178 Cb 0.16 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3fa4 h ARG 178 CO -0.00 0.61 -0.31 0.00 -1.07 0.00 0.00 179.97 179.20 3fa4 h ALA 179 N 1.54 1.25 -0.07 0.04 0.00 -0.40 -2.14 119.26 119.48 3fa4 h ALA 179 Ca 0.38 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 3fa4 h ALA 179 Cb 0.26 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3fa4 h ALA 179 CO -0.14 0.38 -0.77 0.00 0.00 0.00 0.00 179.25 178.72 3fa4 h ALA 180 N 1.69 0.19 -0.02 0.00 0.00 -1.00 -3.04 119.26 117.08 3fa4 h ALA 180 Ca -0.00 -0.60 0.02 0.00 0.00 0.00 0.00 54.91 54.32 3fa4 h ALA 180 Cb 0.64 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3fa4 h ALA 180 CO 0.04 0.56 -0.11 -0.09 0.00 0.00 0.00 179.25 179.65 3fa4 h ARG 181 N 0.30 -0.18 -0.85 0.00 2.43 -1.14 -1.99 114.38 112.95 3fa4 h ARG 181 Ca -0.08 0.01 0.20 0.00 -0.81 0.00 0.00 59.98 59.31 3fa4 h ARG 181 Cb 1.42 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.96 3fa4 h ARG 181 CO 0.16 -0.12 0.58 -0.44 -1.51 0.00 0.00 179.97 178.63 3fa4 h ASP 182 N -0.18 0.30 0.00 -3.80 3.32 -1.47 -1.84 116.42 112.74 3fa4 h ASP 182 Ca 0.05 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3fa4 h ASP 182 Cb 0.25 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3fa4 h ASP 182 CO -0.13 0.12 0.00 0.00 -1.72 0.00 0.00 179.24 177.51 3fa4 n ALA 183 N -2.56 2.59 -0.00 3.45 0.00 -0.77 -4.92 120.51 118.30 3fa4 n ALA 183 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3fa4 n ALA 183 Cb 0.72 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.78 0.90 3.76 0.00 0.00 -0.69 -4.54 105.19 105.41 3fa4 n GLY 184 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 2.71 -0.06 4.61 0.00 -1.08 -4.93 121.76 121.01 3fa4 s ALA 185 Ca 0.00 0.95 0.12 0.00 0.00 0.00 0.00 51.96 53.03 3fa4 s ALA 185 Cb 0.00 -3.41 -0.23 0.00 0.00 0.00 0.00 23.12 19.48 3fa4 s ALA 185 CO 0.00 -0.92 0.58 -0.25 0.00 0.00 0.00 175.76 175.17 3fa4 n ASP 186 N -1.20 0.86 -3.85 0.00 8.00 -0.00 -4.75 116.55 115.61 3fa4 n ASP 186 Ca 0.11 0.36 -0.12 0.00 0.71 0.00 0.00 54.79 55.86 3fa4 n ASP 186 Cb 0.49 -0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.48 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 -2.58 0.05 0.27 2.53 1.01 -1.19 -4.25 120.40 116.24 3fa4 s VAL 187 Ca -0.06 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.56 3fa4 s VAL 187 Cb 0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 3fa4 s VAL 187 CO 0.82 -0.24 0.07 -0.83 0.00 0.00 0.00 175.10 174.92 3fa4 s GLY 188 N -0.86 1.60 -0.30 4.51 0.00 -0.75 -0.80 107.32 110.73 3fa4 s GLY 188 Ca -0.09 -1.60 0.02 0.00 0.00 0.00 0.00 44.72 43.05 3fa4 s GLY 188 CO 0.01 -1.64 0.40 -0.12 0.00 0.00 0.00 173.10 171.75 3fa4 s PHE 189 N -2.28 -0.92 -0.45 1.90 5.99 0.42 -1.98 117.98 120.66 3fa4 s PHE 189 Ca 0.32 0.17 -0.29 0.00 0.00 0.00 0.00 56.93 57.14 3fa4 s PHE 189 Cb -0.07 -0.20 0.03 0.00 0.00 0.00 0.00 43.02 42.79 3fa4 s PHE 189 CO 0.22 -0.99 1.11 -1.17 -0.00 0.00 0.00 175.22 174.39 3fa4 s LEU 190 N 2.41 3.71 0.04 6.12 0.20 -1.26 -1.16 118.68 128.74 3fa4 s LEU 190 Ca 0.10 0.51 -0.30 0.00 0.69 0.00 0.00 54.13 55.13 3fa4 s LEU 190 Cb -0.12 -3.51 -0.05 0.00 -0.43 0.00 0.00 46.19 42.08 3fa4 s LEU 190 CO -0.28 -1.18 1.13 -0.70 -0.29 0.00 0.00 176.35 175.03 3fa4 s GLU 191 N 4.27 4.47 0.00 1.98 2.56 -0.93 -4.27 118.70 126.78 3fa4 s GLU 191 Ca 0.46 1.65 0.00 0.00 0.00 0.00 0.00 54.97 57.09 3fa4 s GLU 191 Cb -0.08 -3.39 0.00 0.00 2.00 0.00 0.00 34.13 32.66 3fa4 s GLU 191 CO 0.29 -0.20 0.00 0.41 -0.56 0.00 0.00 175.26 175.20 3fa4 n GLY 192 N 3.12 0.76 3.57 -1.50 0.00 -1.26 -4.66 105.19 105.22 3fa4 n GLY 192 Ca 0.08 -0.67 -0.54 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.92 0.00 1.06 -0.61 5.41 -1.26 -4.66 119.36 116.38 3fa4 n ILE 193 Ca 0.00 -0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 3fa4 n ILE 193 Cb 0.21 -0.64 0.11 0.00 -0.71 0.00 0.00 39.64 38.61 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 2.30 0.00 -3.65 1.39 -2.24 -1.26 -3.61 114.28 107.21 3fa4 n THR 194 Ca 0.19 -0.35 -0.02 0.00 -2.27 0.00 0.00 64.05 61.59 3fa4 n THR 194 Cb 0.17 1.23 -0.01 0.00 -2.10 0.00 0.00 70.33 69.62 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 -2.23 -0.15 0.33 3.42 1.04 -1.26 -4.61 113.70 110.24 3fa4 s SER 195 Ca 0.25 -0.20 0.18 0.00 0.48 0.00 0.00 55.95 56.65 3fa4 s SER 195 Cb 0.19 0.31 0.31 0.00 0.10 0.00 0.00 66.02 66.93 3fa4 s SER 195 CO 0.43 -0.55 1.56 0.03 0.98 0.00 0.00 173.24 175.69 3fa4 h ARG 196 N 2.00 0.00 -0.27 4.02 3.08 -1.98 -0.45 114.38 120.78 3fa4 h ARG 196 Ca -0.24 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.64 3fa4 h ARG 196 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 3fa4 h ARG 196 CO 0.27 0.39 -0.49 0.93 -1.07 0.00 0.00 179.97 180.01 3fa4 h GLU 197 N 0.00 0.73 -0.42 0.04 3.07 -1.98 0.13 114.58 116.16 3fa4 h GLU 197 Ca -0.00 -0.43 -0.11 0.00 -0.50 0.00 0.00 59.36 58.32 3fa4 h GLU 197 Cb 1.19 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.12 3fa4 h GLU 197 CO 0.05 1.05 -0.19 1.98 -1.40 0.00 0.00 179.01 180.50 3fa4 h MET 198 N 0.58 0.81 0.70 2.33 4.05 -1.92 -0.60 114.93 120.88 3fa4 h MET 198 Ca 0.03 -0.32 -0.03 0.00 -0.28 0.00 0.00 59.70 59.10 3fa4 h MET 198 Cb 1.05 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.80 3fa4 h MET 198 CO 0.10 0.94 -0.48 0.00 0.23 0.00 0.00 176.91 177.70 3fa4 h ALA 199 N 1.07 -1.19 0.00 0.39 0.00 -0.90 0.33 119.26 118.95 3fa4 h ALA 199 Ca 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3fa4 h ALA 199 Cb 0.71 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3fa4 h ALA 199 CO 0.05 -1.19 -0.01 0.00 0.00 0.00 0.00 179.25 178.10 3fa4 h ARG 200 N -1.13 0.00 0.15 0.00 3.08 -0.97 -2.06 114.38 113.44 3fa4 h ARG 200 Ca -0.09 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.67 3fa4 h ARG 200 Cb 0.92 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.98 3fa4 h ARG 200 CO 0.06 0.01 -1.36 0.37 -1.07 0.00 0.00 179.97 177.98 3fa4 h GLN 201 N 0.00 0.31 -0.08 0.04 4.15 -0.49 -3.10 115.11 115.94 3fa4 h GLN 201 Ca -0.00 -0.52 -0.16 0.00 0.77 0.00 0.00 58.65 58.73 3fa4 h GLN 201 Cb 0.05 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 3fa4 h GLN 201 CO 0.00 1.23 -0.65 0.28 -1.93 0.00 0.00 178.83 177.76 3fa4 h VAL 202 N 0.08 1.38 -0.81 2.39 2.07 -0.27 -0.16 116.25 120.94 3fa4 h VAL 202 Ca -0.18 -2.04 -0.04 0.00 0.82 0.00 0.00 66.70 65.25 3fa4 h VAL 202 Cb 2.02 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 33.78 3fa4 h VAL 202 CO 0.20 0.61 0.35 0.40 0.02 0.00 0.00 177.57 179.15 3fa4 h ILE 203 N 0.23 1.26 0.14 4.57 2.04 -1.53 -1.87 117.51 122.36 3fa4 h ILE 203 Ca -0.01 -0.79 -0.30 0.00 1.00 0.00 0.00 64.86 64.76 3fa4 h ILE 203 Cb 1.19 0.27 0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3fa4 h ILE 203 CO 0.11 0.33 -1.26 1.56 0.00 0.00 0.00 178.15 178.89 3fa4 h GLN 204 N 1.17 0.60 -0.43 2.37 7.50 -1.43 -2.71 115.11 122.17 3fa4 h GLN 204 Ca 0.27 -0.83 0.06 0.00 0.50 0.00 0.00 58.65 58.65 3fa4 h GLN 204 Cb 0.18 0.28 -0.02 0.00 0.05 0.00 0.00 27.48 27.97 3fa4 h GLN 204 CO -0.03 1.38 0.29 -0.44 -1.50 0.00 0.00 178.83 178.54 3fa4 h ASP 205 N 0.22 0.30 -1.15 1.46 3.32 -0.89 -2.49 116.42 117.18 3fa4 h ASP 205 Ca -0.20 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.26 3fa4 h ASP 205 Cb 1.94 -0.06 -0.40 0.00 0.22 0.00 0.00 39.33 41.03 3fa4 h ASP 205 CO 0.24 0.19 -0.47 0.18 -1.72 0.00 0.00 179.24 177.66 3fa4 n LEU 206 N -4.47 5.33 -4.61 1.55 4.77 -0.71 -5.04 117.00 113.80 3fa4 n LEU 206 Ca 0.06 -4.88 -0.49 0.00 -0.03 0.00 0.00 56.01 50.66 3fa4 n LEU 206 Cb 0.26 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 3fa4 n LEU 206 CO 0.35 2.07 0.93 0.00 -1.33 0.00 0.00 177.39 179.41 3fa4 n ALA 207 N -0.63 -0.17 -0.01 -1.18 0.00 -0.94 -2.04 120.51 115.53 3fa4 n ALA 207 Ca 0.45 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.37 3fa4 n ALA 207 Cb 0.77 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3fa4 n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 208 N 2.54 1.22 3.46 0.00 0.00 -1.26 -5.02 105.19 106.13 3fa4 n GLY 208 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.42 3.02 0.24 1.61 -0.00 -0.86 -5.10 118.94 115.42 3fa4 s TRP 209 Ca 0.00 -0.41 -0.30 0.00 -0.00 0.00 0.00 56.10 55.39 3fa4 s TRP 209 Cb 0.00 -2.02 -0.09 0.00 -0.00 0.00 0.00 33.47 31.36 3fa4 s TRP 209 CO 0.00 -0.16 1.31 -2.14 -0.00 0.00 0.00 176.95 175.95 3fa4 s PRO 210 N 0.71 4.39 0.17 5.86 0.02 -1.26 -4.91 135.00 139.99 3fa4 s PRO 210 Ca -0.01 2.09 0.11 0.00 0.02 0.00 0.00 61.00 63.21 3fa4 s PRO 210 Cb -0.14 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 3fa4 s PRO 210 CO 0.02 -0.22 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.72 3fa4 s LEU 211 N -0.58 2.40 -0.11 -5.54 1.43 -1.26 -1.80 118.68 113.22 3fa4 s LEU 211 Ca 0.54 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3fa4 s LEU 211 Cb -0.37 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 3fa4 s LEU 211 CO 0.42 0.12 -0.14 -0.22 0.23 0.00 0.00 176.35 176.76 3fa4 s LEU 212 N -2.49 2.70 -0.24 1.79 0.20 -0.84 -1.60 118.68 118.20 3fa4 s LEU 212 Ca 0.18 -0.30 -0.12 0.00 0.69 0.00 0.00 54.13 54.58 3fa4 s LEU 212 Cb -0.08 -1.59 -0.05 0.00 -0.43 0.00 0.00 46.19 44.04 3fa4 s LEU 212 CO 0.08 0.21 0.22 -0.22 -0.29 0.00 0.00 176.35 176.35 3fa4 s LEU 213 N 0.07 4.11 -0.57 -0.68 2.96 -0.22 -4.47 118.68 119.88 3fa4 s LEU 213 Ca -0.05 0.18 -0.23 0.00 -0.22 0.00 0.00 54.13 53.81 3fa4 s LEU 213 Cb -0.15 -2.20 0.05 0.00 0.50 0.00 0.00 46.19 44.40 3fa4 s LEU 213 CO 0.04 0.02 0.89 0.21 -1.32 0.00 0.00 176.35 176.19 3fa4 s ASN 214 N 1.14 6.28 -0.99 3.68 2.47 -1.26 -0.96 114.94 125.30 3fa4 s ASN 214 Ca 0.10 -0.61 -0.03 0.00 0.42 0.00 0.00 52.86 52.74 3fa4 s ASN 214 Cb -0.14 -2.41 0.28 0.00 -1.45 0.00 0.00 41.25 37.53 3fa4 s ASN 214 CO 0.06 -1.22 1.15 0.80 -3.72 0.00 0.00 177.10 174.17 3fa4 n MET 215 N 7.29 3.62 -3.07 0.43 0.00 -0.41 -4.88 117.12 120.10 3fa4 n MET 215 Ca -0.01 -4.54 -0.41 0.00 -0.00 0.00 0.00 57.70 52.74 3fa4 n MET 215 Cb 0.47 -2.46 -0.06 0.00 0.00 0.00 0.00 33.22 31.16 3fa4 n MET 215 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3fa4 s VAL 216 N -2.13 4.93 0.74 1.12 1.01 -1.26 -4.42 120.40 120.39 3fa4 s VAL 216 Ca 0.32 1.11 -0.12 0.00 0.00 0.00 0.00 61.98 63.29 3fa4 s VAL 216 Cb 0.01 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.43 3fa4 s VAL 216 CO 0.00 -0.06 1.11 -1.61 0.00 0.00 0.00 175.10 174.54 3fa4 s GLU 217 N 2.63 2.31 -0.52 2.72 2.02 -1.26 -3.91 118.70 122.69 3fa4 s GLU 217 Ca 0.28 1.33 0.00 0.00 0.02 0.00 0.00 54.97 56.60 3fa4 s GLU 217 Cb -0.15 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.18 3fa4 s GLU 217 CO 0.10 -1.62 0.00 0.72 0.02 0.00 0.00 175.26 174.48 3fa4 n HIS 218 N -3.14 0.00 -0.95 1.61 8.25 -1.26 -4.98 115.22 114.74 3fa4 n HIS 218 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3fa4 n HIS 218 Cb 0.52 -1.53 0.00 0.00 1.12 0.00 0.00 29.99 30.10 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 -1.16 1.88 0.29 -1.41 0.00 -1.25 -4.99 105.19 98.55 3fa4 n GLY 219 Ca -0.05 -1.89 0.15 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.03 1.37 -2.96 4.61 0.00 -1.89 -3.44 119.26 115.91 3fa4 h ALA 220 Ca 0.00 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 54.27 3fa4 h ALA 220 Cb 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.68 3fa4 h ALA 220 CO 0.00 0.07 -0.23 0.99 0.00 0.00 0.00 179.25 180.08 3fa4 s THR 221 N -4.38 5.23 1.17 0.00 2.01 -1.24 -4.26 115.64 114.17 3fa4 s THR 221 Ca -0.04 0.72 -0.17 0.00 0.31 0.00 0.00 61.69 62.51 3fa4 s THR 221 Cb 0.14 -3.72 0.19 0.00 0.01 0.00 0.00 72.50 69.12 3fa4 s THR 221 CO 0.55 0.32 0.39 -0.81 -0.69 0.00 0.00 174.62 174.38 3fa4 n PRO 222 N 3.93 -2.19 -2.98 4.92 -0.04 -1.26 -4.53 135.00 132.86 3fa4 n PRO 222 Ca -0.09 -0.62 -0.42 0.00 -0.04 0.00 0.00 63.50 62.32 3fa4 n PRO 222 Cb 0.51 -1.85 -0.05 0.00 -0.04 0.00 0.00 33.50 32.07 3fa4 n PRO 222 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3fa4 s SER 223 N -2.08 6.51 -0.15 3.54 0.01 -1.26 -4.98 113.70 115.29 3fa4 s SER 223 Ca 0.60 0.25 0.00 0.00 1.31 0.00 0.00 55.95 58.12 3fa4 s SER 223 Cb -0.16 -2.39 -0.00 0.00 0.21 0.00 0.00 66.02 63.68 3fa4 s SER 223 CO 0.64 -0.75 -0.16 -0.63 0.41 0.00 0.00 173.24 172.76 3fa4 s ILE 224 N 3.09 2.63 0.50 1.44 1.01 -1.26 -5.12 121.20 123.49 3fa4 s ILE 224 Ca 0.30 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 3fa4 s ILE 224 Cb -0.13 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3fa4 s ILE 224 CO 0.18 0.52 0.82 -0.94 0.00 0.00 0.00 174.94 175.51 3fa4 s SER 225 N 0.82 6.19 0.28 3.58 1.04 -1.26 -4.86 113.70 119.49 3fa4 s SER 225 Ca -0.05 0.94 -0.01 0.00 0.48 0.00 0.00 55.95 57.31 3fa4 s SER 225 Cb -0.15 -2.20 0.65 0.00 0.10 0.00 0.00 66.02 64.42 3fa4 s SER 225 CO -0.00 -0.65 1.61 0.00 0.98 0.00 0.00 173.24 175.18 3fa4 h ALA 226 N 0.14 1.09 -0.15 5.32 0.00 -1.99 -1.30 119.26 122.37 3fa4 h ALA 226 Ca -0.47 0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3fa4 h ALA 226 Cb 1.21 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 3fa4 h ALA 226 CO 0.62 -0.50 -0.08 0.00 0.00 0.00 0.00 179.25 179.29 3fa4 h ALA 227 N 1.84 0.22 -0.34 0.00 0.00 -1.99 -1.16 119.26 117.83 3fa4 h ALA 227 Ca 0.53 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3fa4 h ALA 227 Cb 1.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3fa4 h ALA 227 CO -0.77 0.02 0.21 1.49 0.00 0.00 0.00 179.25 180.20 3fa4 h GLU 228 N -0.01 0.42 -1.00 0.00 4.81 -1.89 -0.31 114.58 116.60 3fa4 h GLU 228 Ca 0.03 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3fa4 h GLU 228 Cb 0.55 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 3fa4 h GLU 228 CO 0.02 0.28 0.66 0.00 -0.73 0.00 0.00 179.01 179.24 3fa4 h ALA 229 N 1.14 1.27 -0.30 2.92 0.00 -1.08 -0.09 119.26 123.12 3fa4 h ALA 229 Ca 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fa4 h ALA 229 Cb -0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 3fa4 h ALA 229 CO -0.05 0.66 0.19 -0.22 0.00 0.00 0.00 179.25 179.83 3fa4 h LYS 230 N 1.36 0.40 -0.63 0.00 3.64 -1.03 -1.47 116.57 118.83 3fa4 h LYS 230 Ca 0.37 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.74 3fa4 h LYS 230 Cb -0.16 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.54 3fa4 h LYS 230 CO -0.08 0.29 0.40 1.49 -2.27 0.00 0.00 179.45 179.28 3fa4 h GLU 231 N 0.39 0.77 -0.53 1.90 4.22 0.35 -1.86 114.58 119.82 3fa4 h GLU 231 Ca 0.11 -0.05 0.02 0.00 0.08 0.00 0.00 59.36 59.52 3fa4 h GLU 231 Cb -0.01 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 3fa4 h GLU 231 CO -0.02 0.51 0.35 0.52 -2.18 0.00 0.00 179.01 178.19 3fa4 h MET 232 N 0.79 0.65 0.00 1.92 2.86 -1.05 -3.47 114.93 116.63 3fa4 h MET 232 Ca 0.25 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3fa4 h MET 232 Cb -0.01 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.50 3fa4 h MET 232 CO -0.09 0.43 0.00 0.41 1.06 0.00 0.00 176.91 178.72 3fa4 n GLY 233 N -1.46 1.60 3.74 8.32 0.00 -0.70 -4.92 105.19 111.76 3fa4 n GLY 233 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 2.28 -0.46 1.61 0.40 -0.60 -4.73 117.98 114.49 3fa4 s PHE 234 Ca 0.00 1.53 0.09 0.00 -0.60 0.00 0.00 56.93 57.95 3fa4 s PHE 234 Cb 0.00 -3.50 -0.10 0.00 0.51 0.00 0.00 43.02 39.93 3fa4 s PHE 234 CO 0.00 -2.38 0.41 0.54 0.70 0.00 0.00 175.22 174.49 3fa4 n ARG 235 N -1.91 3.84 -3.73 0.44 5.12 -0.63 -4.46 116.66 115.33 3fa4 n ARG 235 Ca 0.14 -0.02 -0.12 0.00 -1.93 0.00 0.00 57.85 55.92 3fa4 n ARG 235 Cb 0.50 -0.95 -0.12 0.00 -1.16 0.00 0.00 32.46 30.73 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 -1.87 -0.02 -0.04 0.55 1.01 -1.17 -0.93 121.20 118.72 3fa4 s ILE 236 Ca 0.04 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.81 3fa4 s ILE 236 Cb 0.07 -0.46 -0.00 0.00 0.01 0.00 0.00 42.46 42.08 3fa4 s ILE 236 CO 0.38 0.03 -0.16 -0.51 0.00 0.00 0.00 174.94 174.69 3fa4 s ILE 237 N 0.92 1.32 0.17 2.92 2.07 0.07 -1.05 121.20 127.61 3fa4 s ILE 237 Ca -0.06 -0.65 0.11 0.00 -1.41 0.00 0.00 60.65 58.63 3fa4 s ILE 237 Cb -0.07 -1.14 -0.04 0.00 0.13 0.00 0.00 42.46 41.33 3fa4 s ILE 237 CO -0.07 0.39 -0.22 0.27 -1.91 0.00 0.00 174.94 173.40 3fa4 s ILE 238 N 0.10 2.51 -0.51 2.00 -4.36 -0.14 -1.06 121.20 119.74 3fa4 s ILE 238 Ca -0.04 -1.87 0.04 0.00 -0.26 0.00 0.00 60.65 58.51 3fa4 s ILE 238 Cb -0.11 -2.19 0.16 0.00 1.25 0.00 0.00 42.46 41.57 3fa4 s ILE 238 CO 0.02 -0.06 0.36 -0.36 0.24 0.00 0.00 174.94 175.14 3fa4 s PHE 239 N -1.51 2.09 0.50 1.37 0.40 -0.72 -1.29 117.98 118.81 3fa4 s PHE 239 Ca 0.20 -2.64 0.15 0.00 -0.60 0.00 0.00 56.93 54.04 3fa4 s PHE 239 Cb -0.09 -1.73 1.20 0.00 0.51 0.00 0.00 43.02 42.91 3fa4 s PHE 239 CO 0.10 -0.73 2.11 -1.35 0.70 0.00 0.00 175.22 176.06 3fa4 h PRO 240 N 5.90 0.11 -0.64 0.24 0.11 -1.85 0.55 132.00 136.42 3fa4 h PRO 240 Ca 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3fa4 h PRO 240 Cb 0.87 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3fa4 h PRO 240 CO 0.50 0.07 0.00 1.19 -0.21 0.00 0.00 178.00 179.56 3fa4 n PHE 241 N -4.51 1.40 0.18 0.65 3.01 -1.26 -4.29 117.46 112.64 3fa4 n PHE 241 Ca -0.00 -0.53 0.04 0.00 1.01 0.00 0.00 57.45 57.96 3fa4 n PHE 241 Cb 0.14 -0.29 0.44 0.00 -0.01 0.00 0.00 39.48 39.76 3fa4 n PHE 241 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fa4 h ALA 242 N 3.83 1.58 0.00 4.37 0.00 -1.57 -2.78 119.26 124.68 3fa4 h ALA 242 Ca 0.00 -0.21 -0.44 0.00 0.00 0.00 0.00 54.91 54.27 3fa4 h ALA 242 Cb 1.40 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 3fa4 h ALA 242 CO 0.26 0.31 -2.47 0.00 0.00 0.00 0.00 179.25 177.36 3fa4 n ALA 243 N -2.49 1.23 -0.10 0.00 0.00 -1.22 -4.51 120.51 113.43 3fa4 n ALA 243 Ca -0.02 -1.07 -0.06 0.00 0.00 0.00 0.00 53.44 52.30 3fa4 n ALA 243 Cb 0.28 0.03 0.01 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.73 -0.16 0.42 0.00 3.38 -1.82 -1.27 115.31 115.13 3fa4 h LEU 244 Ca -0.65 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.38 3fa4 h LEU 244 Cb 1.68 0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.59 3fa4 h LEU 244 CO -0.32 -0.04 -0.20 1.23 0.09 0.00 0.00 178.44 179.19 3fa4 h GLY 245 N 0.09 -0.59 2.00 0.83 0.00 -1.76 -1.41 103.07 102.23 3fa4 h GLY 245 Ca 0.17 0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.66 3fa4 h GLY 245 CO -0.29 -0.21 -0.27 -2.55 0.00 0.00 0.00 176.54 173.21 3fa4 h PRO 246 N -0.62 0.00 -0.33 4.80 0.11 -1.78 -2.55 132.00 131.63 3fa4 h PRO 246 Ca -0.06 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 3fa4 h PRO 246 Cb 0.46 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 3fa4 h PRO 246 CO 0.09 0.27 -0.15 0.00 -0.21 0.00 0.00 178.00 178.01 3fa4 h ALA 247 N 1.73 0.47 0.36 -0.75 0.00 -1.07 -2.76 119.26 117.24 3fa4 h ALA 247 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3fa4 h ALA 247 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3fa4 h ALA 247 CO 0.04 0.37 -0.17 0.28 0.00 0.00 0.00 179.25 179.76 3fa4 h VAL 248 N 0.46 0.58 -0.73 0.00 2.07 -1.06 -1.82 116.25 115.75 3fa4 h VAL 248 Ca 0.08 -0.55 0.13 0.00 0.82 0.00 0.00 66.70 67.17 3fa4 h VAL 248 Cb 0.68 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 31.19 3fa4 h VAL 248 CO 0.05 0.10 0.30 0.00 0.02 0.00 0.00 177.57 178.03 3fa4 h ALA 249 N -0.38 1.01 -0.30 1.67 0.00 -1.58 0.24 119.26 119.93 3fa4 h ALA 249 Ca -0.05 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3fa4 h ALA 249 Cb 0.53 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3fa4 h ALA 249 CO 0.08 -0.18 -0.50 0.00 0.00 0.00 0.00 179.25 178.66 3fa4 h ALA 250 N 1.51 0.55 -0.48 0.00 0.00 -1.41 -2.59 119.26 116.85 3fa4 h ALA 250 Ca 0.39 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3fa4 h ALA 250 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3fa4 h ALA 250 CO -0.37 0.68 -0.12 0.52 0.00 0.00 0.00 179.25 179.96 3fa4 h MET 251 N 0.65 0.89 -0.08 0.00 2.86 -0.99 -1.59 114.93 116.66 3fa4 h MET 251 Ca 0.03 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 3fa4 h MET 251 Cb 1.09 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.68 3fa4 h MET 251 CO 0.11 0.96 0.04 -0.09 1.06 0.00 0.00 176.91 179.00 3fa4 h ARG 252 N 0.79 0.12 -0.85 1.72 2.43 -0.91 -0.79 114.38 116.89 3fa4 h ARG 252 Ca 0.13 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.38 3fa4 h ARG 252 Cb 0.65 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.10 3fa4 h ARG 252 CO 0.05 0.16 0.49 0.93 -1.51 0.00 0.00 179.97 180.09 3fa4 h GLU 253 N 0.04 0.80 0.07 0.20 5.08 -1.45 -0.58 114.58 118.74 3fa4 h GLU 253 Ca 0.03 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3fa4 h GLU 253 Cb 0.08 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3fa4 h GLU 253 CO -0.00 0.53 -0.03 0.00 -1.00 0.00 0.00 179.01 178.50 3fa4 h ALA 254 N 1.46 -0.10 -0.80 3.43 0.00 -1.04 -2.14 119.26 120.07 3fa4 h ALA 254 Ca 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3fa4 h ALA 254 Cb 0.37 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3fa4 h ALA 254 CO -0.25 -0.52 0.51 0.52 0.00 0.00 0.00 179.25 179.51 3fa4 h MET 255 N -0.17 1.07 -0.22 0.00 2.86 -1.02 -0.79 114.93 116.66 3fa4 h MET 255 Ca -0.01 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.44 3fa4 h MET 255 Cb 0.14 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3fa4 h MET 255 CO 0.02 0.73 -0.34 0.93 1.06 0.00 0.00 176.91 179.31 3fa4 h GLU 256 N 1.09 0.47 -0.26 1.72 5.08 -1.00 -0.21 114.58 121.46 3fa4 h GLU 256 Ca 0.29 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 3fa4 h GLU 256 Cb -0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3fa4 h GLU 256 CO -0.06 0.76 -0.15 -0.22 -1.00 0.00 0.00 179.01 178.33 3fa4 h LYS 257 N 0.40 0.57 -0.56 2.33 3.64 -1.25 -1.97 116.57 119.74 3fa4 h LYS 257 Ca 0.05 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3fa4 h LYS 257 Cb 0.79 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 3fa4 h LYS 257 CO 0.06 0.83 0.35 1.25 -2.27 0.00 0.00 179.45 179.68 3fa4 h LEU 258 N 0.30 0.65 -1.23 5.20 5.85 -1.01 -0.38 115.31 124.69 3fa4 h LEU 258 Ca 0.06 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3fa4 h LEU 258 Cb 0.68 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3fa4 h LEU 258 CO 0.04 0.48 -0.18 0.50 -0.34 0.00 0.00 178.44 178.95 3fa4 h LYS 259 N 0.76 0.30 0.14 1.25 3.11 -0.73 -1.69 116.57 119.71 3fa4 h LYS 259 Ca 0.20 -0.09 -0.26 0.00 -2.81 0.00 0.00 60.65 57.70 3fa4 h LYS 259 Cb -0.06 -0.03 0.03 0.00 -1.00 0.00 0.00 32.23 31.16 3fa4 h LYS 259 CO -0.04 0.49 -1.08 0.00 -2.81 0.00 0.00 179.45 176.00 3fa4 h ARG 260 N 0.28 0.49 0.04 1.90 3.08 -1.07 -3.41 114.38 115.70 3fa4 h ARG 260 Ca 0.05 -0.71 -0.37 0.00 0.07 0.00 0.00 59.98 59.02 3fa4 h ARG 260 Cb 0.49 0.25 -0.05 0.00 0.08 0.00 0.00 29.97 30.74 3fa4 h ARG 260 CO 0.03 1.32 -2.15 -0.25 -1.07 0.00 0.00 179.97 177.85 3fa4 n ASP 261 N -3.93 2.01 0.00 7.04 8.00 -0.18 -5.01 116.55 124.48 3fa4 n ASP 261 Ca -0.14 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3fa4 n ASP 261 Cb 0.92 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3fa4 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fa4 n GLY 262 N 1.90 0.92 3.62 0.44 0.00 -0.64 -5.06 105.19 106.36 3fa4 n GLY 262 Ca -0.40 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.00 0.00 0.22 -0.61 2.07 -1.26 -5.09 121.20 114.54 3fa4 s ILE 263 Ca 0.00 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.21 3fa4 s ILE 263 Cb 0.00 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.61 3fa4 s ILE 263 CO 0.00 0.00 1.62 -0.65 -1.91 0.00 0.00 174.94 174.00 3fa4 h PRO 264 N 3.77 0.65 -3.87 3.50 0.11 -1.93 -3.39 132.00 130.84 3fa4 h PRO 264 Ca -0.26 -0.29 -0.21 0.00 0.11 0.00 0.00 66.00 65.35 3fa4 h PRO 264 Cb 1.17 -0.01 0.09 0.00 0.11 0.00 0.00 31.00 32.35 3fa4 h PRO 264 CO 0.17 0.88 -0.41 0.41 -0.21 0.00 0.00 178.00 178.85 3fa4 n GLY 265 N -0.14 0.06 3.80 -0.55 0.00 -1.26 -4.64 105.19 102.46 3fa4 n GLY 265 Ca -0.01 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.52 4.14 0.38 0.99 1.43 -1.26 -5.00 118.68 114.83 3fa4 s LEU 266 Ca 0.19 1.73 -0.25 0.00 -1.03 0.00 0.00 54.13 54.77 3fa4 s LEU 266 Cb -0.08 -4.26 -0.13 0.00 0.03 0.00 0.00 46.19 41.76 3fa4 s LEU 266 CO 0.41 -0.21 0.77 -0.67 0.23 0.00 0.00 176.35 176.89 3fa4 n ASP 267 N -0.04 0.16 0.07 2.29 -0.08 -1.26 -4.84 116.55 112.85 3fa4 n ASP 267 Ca 0.04 1.02 0.08 0.00 -1.51 0.00 0.00 54.79 54.42 3fa4 n ASP 267 Cb 0.52 -1.21 0.37 0.00 2.34 0.00 0.00 41.12 43.14 3fa4 n ASP 267 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 3fa4 n LYS 268 N 0.52 0.09 -0.26 -0.67 2.85 -1.26 -0.51 118.16 118.91 3fa4 n LYS 268 Ca 0.11 0.43 0.09 0.00 -1.05 0.00 0.00 58.31 57.88 3fa4 n LYS 268 Cb 0.37 -1.71 0.23 0.00 -0.65 0.00 0.00 35.03 33.27 3fa4 n LYS 268 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 3fa4 n GLU 269 N -1.89 2.21 -3.08 -1.58 0.28 -1.26 -4.62 120.64 110.71 3fa4 n GLU 269 Ca 0.01 -1.89 -0.45 0.00 -0.16 0.00 0.00 57.16 54.68 3fa4 n GLU 269 Cb 0.13 -1.41 -0.01 0.00 1.43 0.00 0.00 31.44 31.58 3fa4 n GLU 269 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 3fa4 s MET 270 N -1.31 3.94 0.18 3.44 -1.94 0.33 -4.77 119.30 119.18 3fa4 s MET 270 Ca 0.35 -2.52 0.07 0.00 -1.71 0.00 0.00 55.69 51.89 3fa4 s MET 270 Cb 0.18 -4.83 -0.04 0.00 2.01 0.00 0.00 34.83 32.15 3fa4 s MET 270 CO 0.24 -1.59 -0.15 0.95 -0.01 0.00 0.00 175.02 174.47 3fa4 s THR 271 N 1.00 1.67 0.54 2.05 -4.23 -1.26 -4.93 115.64 110.48 3fa4 s THR 271 Ca 0.34 -2.09 0.20 0.00 -1.18 0.00 0.00 61.69 58.96 3fa4 s THR 271 Cb -0.06 -1.94 0.30 0.00 1.34 0.00 0.00 72.50 72.14 3fa4 s THR 271 CO -0.05 -0.53 2.17 -0.65 -0.54 0.00 0.00 174.62 175.02 3fa4 h PRO 272 N 2.81 0.00 -0.31 3.99 0.11 -1.99 -1.68 132.00 134.93 3fa4 h PRO 272 Ca -0.39 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.60 3fa4 h PRO 272 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3fa4 h PRO 272 CO 0.59 0.00 -0.30 1.96 -0.21 0.00 0.00 178.00 180.03 3fa4 h GLN 273 N 0.00 0.66 -0.33 1.05 7.50 -1.96 -2.23 115.11 119.79 3fa4 h GLN 273 Ca 0.01 -0.29 -0.15 0.00 0.50 0.00 0.00 58.65 58.71 3fa4 h GLN 273 Cb 0.04 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.54 3fa4 h GLN 273 CO -0.00 0.88 -0.41 1.98 -1.50 0.00 0.00 178.83 179.78 3fa4 h MET 274 N 0.56 0.82 0.47 1.46 1.85 -1.75 -2.42 114.93 115.92 3fa4 h MET 274 Ca 0.07 -0.44 -0.01 0.00 -0.61 0.00 0.00 59.70 58.71 3fa4 h MET 274 Cb 0.80 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.83 3fa4 h MET 274 CO 0.07 1.07 -0.40 1.25 -0.40 0.00 0.00 176.91 178.50 3fa4 h LEU 275 N 0.67 -1.07 -0.88 3.39 5.85 -1.15 -1.00 115.31 121.12 3fa4 h LEU 275 Ca 0.05 0.08 0.17 0.00 0.84 0.00 0.00 57.88 59.02 3fa4 h LEU 275 Cb 0.98 0.34 -0.10 0.00 0.37 0.00 0.00 40.66 42.25 3fa4 h LEU 275 CO 0.09 -0.57 0.45 -0.26 -0.34 0.00 0.00 178.44 177.82 3fa4 h PHE 276 N -0.87 0.79 -0.44 1.25 0.05 -1.47 -0.25 116.94 115.99 3fa4 h PHE 276 Ca -0.05 0.04 -0.05 0.00 3.82 0.00 0.00 57.97 61.73 3fa4 h PHE 276 Cb 0.75 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 38.47 3fa4 h PHE 276 CO -0.19 0.14 0.09 0.00 -0.18 0.00 0.00 178.31 178.17 3fa4 h ARG 277 N 0.59 0.72 -1.00 1.51 3.08 -1.22 -2.14 114.38 115.93 3fa4 h ARG 277 Ca 0.50 -0.18 0.20 0.00 0.07 0.00 0.00 59.98 60.57 3fa4 h ARG 277 Cb 0.79 -0.09 -0.11 0.00 0.08 0.00 0.00 29.97 30.64 3fa4 h ARG 277 CO -0.40 0.74 0.60 0.28 -1.07 0.00 0.00 179.97 180.11 3fa4 h VAL 278 N 0.59 0.68 -0.75 2.04 2.07 -0.26 -2.67 116.25 117.95 3fa4 h VAL 278 Ca 0.14 -0.25 -0.32 0.00 0.82 0.00 0.00 66.70 67.08 3fa4 h VAL 278 Cb 0.35 -0.12 -0.19 0.00 -1.52 0.00 0.00 31.29 29.81 3fa4 h VAL 278 CO 0.01 0.13 0.35 0.00 0.02 0.00 0.00 177.57 178.08 3fa4 n GLY 280 N -0.77 -0.93 0.10 0.00 0.00 -0.94 -4.96 105.19 97.68 3fa4 n GLY 280 Ca 0.46 0.45 -0.14 0.00 0.00 0.00 0.00 46.02 46.79 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 -0.62 0.33 -0.42 0.99 5.85 -1.60 -3.09 115.31 116.74 3fa4 h LEU 281 Ca -0.40 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 57.88 3fa4 h LEU 281 Cb 1.21 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3fa4 h LEU 281 CO 0.35 1.31 0.05 0.44 -0.34 0.00 0.00 178.44 180.25 3fa4 h ASP 282 N 0.06 0.69 -0.48 1.25 3.32 -1.89 -0.26 116.42 119.11 3fa4 h ASP 282 Ca -0.14 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.53 3fa4 h ASP 282 Cb 1.95 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 41.30 3fa4 h ASP 282 CO 0.18 0.79 -0.09 -0.33 -1.72 0.00 0.00 179.24 178.07 3fa4 h GLU 283 N 0.56 0.95 0.00 3.56 4.39 -1.98 -0.95 114.58 121.12 3fa4 h GLU 283 Ca 0.13 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 3fa4 h GLU 283 Cb 0.41 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3fa4 h GLU 283 CO 0.01 0.99 -0.00 0.77 -1.16 0.00 0.00 179.01 179.62 3fa4 h SER 284 N 0.85 0.00 0.33 1.42 0.02 -1.41 -0.66 113.55 114.11 3fa4 h SER 284 Ca 0.14 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.76 3fa4 h SER 284 Cb 0.63 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.19 3fa4 h SER 284 CO 0.04 0.00 -1.54 -0.03 -1.14 0.00 0.00 176.83 174.17 3fa4 h MET 285 N 0.00 0.41 -0.56 3.45 -1.53 -0.32 -2.73 114.93 113.64 3fa4 h MET 285 Ca -0.00 -0.69 0.09 0.00 -3.44 0.00 0.00 59.70 55.66 3fa4 h MET 285 Cb 0.00 0.26 -0.07 0.00 -0.55 0.00 0.00 31.60 31.24 3fa4 h MET 285 CO 0.00 1.31 0.17 0.87 0.14 0.00 0.00 176.91 179.40 3fa4 h LYS 286 N 0.11 0.32 -0.41 0.39 1.57 -0.92 -2.41 116.57 115.21 3fa4 h LYS 286 Ca -0.26 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 3fa4 h LYS 286 Cb 2.09 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 34.31 3fa4 h LYS 286 CO 0.22 0.21 0.20 0.28 -0.57 0.00 0.00 179.45 179.79 3fa4 h VAL 287 N 0.33 1.18 -0.08 0.50 2.07 -1.12 -1.38 116.25 117.75 3fa4 h VAL 287 Ca 0.28 -0.50 -0.16 0.00 0.82 0.00 0.00 66.70 67.14 3fa4 h VAL 287 Cb 0.36 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3fa4 h VAL 287 CO -0.32 0.19 -0.64 -0.78 0.02 0.00 0.00 177.57 176.04 3fa4 h ASP 288 N 0.53 0.37 -0.30 0.57 3.58 -1.47 -2.93 116.42 116.77 3fa4 h ASP 288 Ca 0.14 -0.22 -0.06 0.00 0.42 0.00 0.00 57.03 57.31 3fa4 h ASP 288 Cb 0.12 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 3fa4 h ASP 288 CO -0.02 0.91 -0.06 0.00 -2.88 0.00 0.00 179.24 177.20 3fa4 h ALA 289 N 1.09 0.41 -0.84 -0.78 0.00 -1.40 -3.18 119.26 114.56 3fa4 h ALA 289 Ca -0.01 -0.27 0.18 0.00 0.00 0.00 0.00 54.91 54.80 3fa4 h ALA 289 Cb 1.18 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3fa4 h ALA 289 CO 0.11 0.22 0.56 1.96 0.00 0.00 0.00 179.25 182.09 3fa4 h GLN 290 N 0.34 0.41 -0.00 0.00 4.20 -1.07 -1.81 115.11 117.18 3fa4 h GLN 290 Ca 0.08 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3fa4 h GLN 290 Cb 0.54 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3fa4 h GLN 290 CO 0.03 0.27 -0.06 0.00 -0.67 0.00 0.00 178.83 178.40 3fa4 n ALA 291 N -2.52 2.56 0.87 3.87 0.00 -1.16 -5.12 120.51 119.03 3fa4 n ALA 291 Ca 0.17 -0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.55 3fa4 n ALA 291 Cb 0.62 -1.43 0.09 0.00 0.00 0.00 0.00 19.45 18.73 3fa4 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91