#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa4 s THR 5 N 0.00 1.52 -1.87 2.52 -1.32 -1.26 -5.05 115.64 110.18 3fa4 s THR 5 Ca 0.00 -2.11 0.23 0.00 -1.21 0.00 0.00 61.69 58.60 3fa4 s THR 5 Cb 0.00 -1.92 0.60 0.00 -1.51 0.00 0.00 72.50 69.67 3fa4 s THR 5 CO 0.00 -0.62 1.75 0.00 -2.21 0.00 0.00 174.62 173.54 3fa4 n ALA 6 N -0.21 2.32 -0.05 11.08 0.00 -1.26 -3.00 120.51 129.38 3fa4 n ALA 6 Ca -0.10 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.06 3fa4 n ALA 6 Cb 0.60 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 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 3.37 0.32 -0.48 0.00 0.00 -1.81 -1.88 119.26 118.78 3fa4 h ALA 7 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.45 3fa4 h ALA 7 Cb 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3fa4 h ALA 7 CO 0.00 0.49 0.27 1.15 0.00 0.00 0.00 179.25 181.16 3fa4 h THR 8 N 0.37 1.02 -0.01 0.00 2.02 -1.76 -1.10 112.91 113.44 3fa4 h THR 8 Ca -0.01 -0.18 -0.19 0.00 0.77 0.00 0.00 66.41 66.80 3fa4 h THR 8 Cb 1.10 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 3fa4 h THR 8 CO 0.11 0.10 -0.83 0.77 0.37 0.00 0.00 175.52 176.04 3fa4 h SER 9 N 0.53 0.29 -0.85 4.18 4.64 -1.70 -1.55 113.55 119.09 3fa4 h SER 9 Ca 0.20 -0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.32 3fa4 h SER 9 Cb 0.05 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.01 3fa4 h SER 9 CO -0.11 1.00 0.56 0.25 -0.87 0.00 0.00 176.83 177.65 3fa4 h LEU 10 N 0.14 0.94 -0.17 5.97 5.85 -1.32 -1.88 115.31 124.84 3fa4 h LEU 10 Ca -0.04 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3fa4 h LEU 10 Cb 1.43 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3fa4 h LEU 10 CO 0.13 0.66 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.70 3fa4 h ARG 11 N 1.11 0.37 -0.20 1.25 2.43 -1.08 -1.88 114.38 116.37 3fa4 h ARG 11 Ca 0.33 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3fa4 h ARG 11 Cb -0.06 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3fa4 h ARG 11 CO -0.09 0.69 -0.17 0.00 -1.51 0.00 0.00 179.97 178.89 3fa4 h ARG 12 N 0.05 0.35 -0.46 0.20 3.08 -1.34 -2.19 114.38 114.06 3fa4 h ARG 12 Ca 0.04 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 3fa4 h ARG 12 Cb 0.59 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3fa4 h ARG 12 CO 0.03 0.51 -0.21 0.00 -1.07 0.00 0.00 179.97 179.23 3fa4 h ALA 13 N 1.51 0.74 0.00 0.04 0.00 -1.30 -2.64 119.26 117.61 3fa4 h ALA 13 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3fa4 h ALA 13 Cb 0.49 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3fa4 h ALA 13 CO 0.03 0.67 0.00 -0.07 0.00 0.00 0.00 179.25 179.88 3fa4 h LEU 14 N 0.81 0.00 0.00 0.00 3.38 -1.11 -2.68 115.31 115.71 3fa4 h LEU 14 Ca 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3fa4 h LEU 14 Cb 0.78 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3fa4 h LEU 14 CO 0.06 0.00 -0.72 -0.33 0.09 0.00 0.00 178.44 177.55 3fa4 h GLU 15 N 0.00 0.00 -6.23 1.13 5.08 -1.11 -3.43 114.58 110.01 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 0.56 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 3fa4 h GLU 15 CO 0.00 0.52 0.86 1.21 -1.00 0.00 0.00 179.01 180.60 3fa4 s ASN 16 N -6.37 6.94 0.16 1.42 3.84 -1.01 -4.93 114.94 114.98 3fa4 s ASN 16 Ca 0.02 1.24 0.20 0.00 0.21 0.00 0.00 52.86 54.53 3fa4 s ASN 16 Cb 0.08 -2.54 0.83 0.00 -0.55 0.00 0.00 41.25 39.07 3fa4 s ASN 16 CO 0.77 -0.84 1.61 -0.81 -2.79 0.00 0.00 177.10 175.03 3fa4 n PRO 17 N 6.76 0.12 0.10 0.43 -0.04 -1.26 -2.98 135.00 138.12 3fa4 n PRO 17 Ca 0.13 0.36 0.06 0.00 -0.04 0.00 0.00 63.50 64.00 3fa4 n PRO 17 Cb 0.46 -1.73 -0.00 0.00 -0.04 0.00 0.00 33.50 32.19 3fa4 n PRO 17 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3fa4 h ASP 18 N 0.00 0.00 -3.30 3.54 3.32 -1.92 -3.48 116.42 114.58 3fa4 h ASP 18 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3fa4 h ASP 18 Cb 0.31 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.89 3fa4 h ASP 18 CO 0.00 0.30 0.65 -0.44 -1.72 0.00 0.00 179.24 178.03 3fa4 s SER 19 N -5.82 6.92 -0.04 6.45 0.01 -1.16 -5.05 113.70 115.01 3fa4 s SER 19 Ca 0.00 2.33 0.03 0.00 1.31 0.00 0.00 55.95 59.62 3fa4 s SER 19 Cb 0.08 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.72 3fa4 s SER 19 CO 0.77 -0.53 -0.12 0.12 0.41 0.00 0.00 173.24 173.90 3fa4 s PHE 20 N 0.38 1.26 -0.19 2.43 5.36 -1.26 -4.85 117.98 121.12 3fa4 s PHE 20 Ca 0.58 -0.38 -0.03 0.00 -0.96 0.00 0.00 56.93 56.14 3fa4 s PHE 20 Cb -0.35 -0.90 -0.02 0.00 -0.34 0.00 0.00 43.02 41.41 3fa4 s PHE 20 CO 0.36 -0.17 -0.05 0.42 -1.46 0.00 0.00 175.22 174.31 3fa4 s ILE 21 N 0.32 3.47 -0.29 3.12 -1.09 -0.36 -5.00 121.20 121.37 3fa4 s ILE 21 Ca -0.07 -0.48 -0.05 0.00 -2.23 0.00 0.00 60.65 57.82 3fa4 s ILE 21 Cb -0.12 -2.54 0.02 0.00 -1.58 0.00 0.00 42.46 38.24 3fa4 s ILE 21 CO 0.02 0.46 0.03 -0.69 -1.23 0.00 0.00 174.94 173.53 3fa4 s VAL 22 N 0.98 3.53 -0.29 2.92 1.01 -1.26 -0.95 120.40 126.35 3fa4 s VAL 22 Ca -0.00 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3fa4 s VAL 22 Cb -0.15 -2.85 0.07 0.00 0.00 0.00 0.00 36.38 33.46 3fa4 s VAL 22 CO 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 175.10 175.13 3fa4 s ALA 23 N 1.42 2.70 0.71 5.51 0.00 -0.13 -4.08 121.76 127.89 3fa4 s ALA 23 Ca 0.01 -2.03 -0.13 0.00 0.00 0.00 0.00 51.96 49.81 3fa4 s ALA 23 Cb -0.17 -1.74 0.03 0.00 0.00 0.00 0.00 23.12 21.23 3fa4 s ALA 23 CO 0.00 -1.37 1.12 -1.25 0.00 0.00 0.00 175.76 174.26 3fa4 s PRO 24 N 1.05 2.49 -0.15 0.00 0.04 -1.26 -1.72 135.00 135.45 3fa4 s PRO 24 Ca -0.02 1.37 -0.20 0.00 0.04 0.00 0.00 61.00 62.19 3fa4 s PRO 24 Cb -0.20 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 3fa4 s PRO 24 CO -0.06 -1.49 0.56 0.20 0.04 0.00 0.00 177.00 176.25 3fa4 s GLY 25 N -2.76 2.28 0.01 0.56 0.00 0.83 -0.79 107.32 107.44 3fa4 s GLY 25 Ca 0.66 -0.20 0.06 0.00 0.00 0.00 0.00 44.72 45.24 3fa4 s GLY 25 CO 0.47 1.04 -0.17 -1.34 0.00 0.00 0.00 173.10 173.10 3fa4 s VAL 26 N 1.19 1.37 -0.30 1.40 -7.23 0.71 -3.37 120.40 114.17 3fa4 s VAL 26 Ca 0.28 -0.90 0.07 0.00 -1.81 0.00 0.00 61.98 59.62 3fa4 s VAL 26 Cb -0.16 -1.17 -0.08 0.00 0.56 0.00 0.00 36.38 35.53 3fa4 s VAL 26 CO 0.11 0.26 0.28 0.00 -0.31 0.00 0.00 175.10 175.44 3fa4 n TYR 27 N 2.30 0.00 -3.47 2.82 4.11 -1.26 -2.70 117.16 118.96 3fa4 n TYR 27 Ca -0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.70 3fa4 n TYR 27 Cb 0.54 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 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 -1.21 -0.72 0.03 9.48 5.75 -1.26 -4.40 116.55 124.22 3fa4 n ASP 28 Ca 0.01 -1.64 -0.17 0.00 -0.01 0.00 0.00 54.79 52.98 3fa4 n ASP 28 Cb 0.11 1.24 -0.07 0.00 -1.03 0.00 0.00 41.12 41.38 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 0.74 0.71 0.98 6.12 0.00 -1.96 -2.29 103.07 107.36 3fa4 h GLY 29 Ca -0.12 -1.14 -0.04 0.00 0.00 0.00 0.00 47.33 46.04 3fa4 h GLY 29 CO 0.15 1.01 -0.38 1.41 0.00 0.00 0.00 176.54 178.73 3fa4 h LEU 30 N 0.39 -0.89 -1.24 3.11 3.38 -1.99 -1.63 115.31 116.45 3fa4 h LEU 30 Ca -0.09 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.01 3fa4 h LEU 30 Cb 1.54 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 42.46 3fa4 h LEU 30 CO 0.17 -0.61 0.57 0.77 0.09 0.00 0.00 178.44 179.43 3fa4 h SER 31 N -1.09 0.75 -0.02 -0.43 4.64 -1.98 -1.42 113.55 114.00 3fa4 h SER 31 Ca -0.11 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 3fa4 h SER 31 Cb 0.81 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3fa4 h SER 31 CO 0.18 0.43 -0.01 0.00 -0.87 0.00 0.00 176.83 176.55 3fa4 h ALA 32 N 1.57 0.02 -0.76 5.18 0.00 -1.38 -0.86 119.26 123.05 3fa4 h ALA 32 Ca 0.41 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 55.22 3fa4 h ALA 32 Cb 0.48 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.13 3fa4 h ALA 32 CO -0.18 -0.24 -0.37 0.00 0.00 0.00 0.00 179.25 178.46 3fa4 h ARG 33 N -0.40 -0.10 -0.57 0.00 2.47 -1.22 -2.37 114.38 112.19 3fa4 h ARG 33 Ca 0.00 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.75 3fa4 h ARG 33 Cb 0.46 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.77 3fa4 h ARG 33 CO 0.00 -0.07 0.36 0.28 0.56 0.00 0.00 179.97 181.10 3fa4 h VAL 34 N -0.10 1.09 -0.45 2.04 2.07 -1.21 -0.97 116.25 118.72 3fa4 h VAL 34 Ca 0.27 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3fa4 h VAL 34 Cb 0.57 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3fa4 h VAL 34 CO -0.81 0.13 0.20 0.00 0.02 0.00 0.00 177.57 177.11 3fa4 h ALA 35 N 1.24 0.58 -0.40 1.67 0.00 -1.00 -1.93 119.26 119.41 3fa4 h ALA 35 Ca 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3fa4 h ALA 35 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3fa4 h ALA 35 CO -0.08 0.16 0.22 -0.07 0.00 0.00 0.00 179.25 179.48 3fa4 h LEU 36 N 0.58 0.50 -0.66 0.00 4.07 -1.42 -2.75 115.31 115.62 3fa4 h LEU 36 Ca 0.15 -0.09 0.14 0.00 0.08 0.00 0.00 57.88 58.17 3fa4 h LEU 36 Cb 0.14 -0.13 -0.10 0.00 1.08 0.00 0.00 40.66 41.65 3fa4 h LEU 36 CO -0.02 0.44 0.09 0.28 -1.08 0.00 0.00 178.44 178.16 3fa4 h SER 37 N 0.52 -0.11 -0.14 -0.43 0.02 -1.07 -0.73 113.55 111.60 3fa4 h SER 37 Ca 0.14 0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.28 3fa4 h SER 37 Cb 0.05 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3fa4 h SER 37 CO -0.02 -0.06 0.22 0.00 -1.14 0.00 0.00 176.83 175.83 3fa4 h ALA 38 N 1.57 1.62 0.00 3.77 0.00 -1.05 -3.46 119.26 121.71 3fa4 h ALA 38 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3fa4 h ALA 38 Cb 0.59 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3fa4 h ALA 38 CO -0.50 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 178.86 3fa4 n GLY 39 N -1.33 1.26 3.77 0.00 0.00 -0.28 -5.11 105.19 103.50 3fa4 n GLY 39 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 3.05 -1.61 1.61 0.40 -1.21 -4.99 117.98 113.23 3fa4 s PHE 40 Ca 0.00 1.56 0.19 0.00 -0.60 0.00 0.00 56.93 58.08 3fa4 s PHE 40 Cb 0.00 -3.37 0.56 0.00 0.51 0.00 0.00 43.02 40.72 3fa4 s PHE 40 CO 0.00 -1.30 1.47 -0.25 0.70 0.00 0.00 175.22 175.83 3fa4 n ASP 41 N -0.03 3.73 -3.46 1.36 10.43 -1.26 -4.76 116.55 122.55 3fa4 n ASP 41 Ca 0.05 -2.04 -0.11 0.00 2.57 0.00 0.00 54.79 55.26 3fa4 n ASP 41 Cb 0.47 -0.43 -0.02 0.00 1.84 0.00 0.00 41.12 42.98 3fa4 n ASP 41 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3fa4 s ALA 42 N -1.07 -1.71 0.14 2.24 0.00 -1.26 -3.97 121.76 116.12 3fa4 s ALA 42 Ca 0.42 0.78 0.03 0.00 0.00 0.00 0.00 51.96 53.18 3fa4 s ALA 42 Cb 0.22 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.91 3fa4 s ALA 42 CO 0.28 -0.71 -0.06 -0.51 0.00 0.00 0.00 175.76 174.76 3fa4 s LEU 43 N -2.54 2.41 -0.10 0.00 1.43 -0.66 -4.16 118.68 115.06 3fa4 s LEU 43 Ca 0.02 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 3fa4 s LEU 43 Cb -0.01 -0.16 0.02 0.00 0.03 0.00 0.00 46.19 46.08 3fa4 s LEU 43 CO -0.10 -0.45 -0.08 -0.47 0.23 0.00 0.00 176.35 175.47 3fa4 s TYR 44 N -3.54 1.42 -0.46 0.29 5.04 0.03 -1.18 117.35 118.95 3fa4 s TYR 44 Ca 0.17 -0.66 -0.23 0.00 -2.44 0.00 0.00 57.07 53.91 3fa4 s TYR 44 Cb 0.05 -1.17 0.03 0.00 0.35 0.00 0.00 41.96 41.22 3fa4 s TYR 44 CO -0.01 -0.45 0.79 1.41 -1.34 0.00 0.00 175.55 175.95 3fa4 s MET 45 N 1.48 3.38 0.24 4.97 -2.45 0.56 -0.21 119.30 127.27 3fa4 s MET 45 Ca 0.00 -0.16 -0.30 0.00 -1.25 0.00 0.00 55.69 53.99 3fa4 s MET 45 Cb -0.13 -3.96 -0.09 0.00 1.25 0.00 0.00 34.83 31.90 3fa4 s MET 45 CO -0.05 -1.15 1.14 -0.08 1.05 0.00 0.00 175.02 175.93 3fa4 s THR 46 N 3.31 3.52 -0.05 10.11 -1.32 -1.10 -2.42 115.64 127.68 3fa4 s THR 46 Ca 0.29 1.41 -0.13 0.00 -1.21 0.00 0.00 61.69 62.05 3fa4 s THR 46 Cb -0.12 -3.90 -0.31 0.00 -1.51 0.00 0.00 72.50 66.66 3fa4 s THR 46 CO 0.22 0.29 0.69 1.23 -2.21 0.00 0.00 174.62 174.84 3fa4 h GLY 47 N 4.42 0.44 0.77 6.08 0.00 -1.92 -2.29 103.07 110.57 3fa4 h GLY 47 Ca -0.46 -1.12 0.07 0.00 0.00 0.00 0.00 47.33 45.82 3fa4 h GLY 47 CO 0.70 0.98 0.63 0.00 0.00 0.00 0.00 176.54 178.85 3fa4 h ALA 48 N 0.08 1.45 0.06 3.60 0.00 -1.97 -0.84 119.26 121.63 3fa4 h ALA 48 Ca -0.32 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3fa4 h ALA 48 Cb 2.03 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3fa4 h ALA 48 CO 0.17 0.40 -0.03 0.78 0.00 0.00 0.00 179.25 180.57 3fa4 h GLY 49 N 1.12 -0.08 2.00 0.00 0.00 -1.94 -1.53 103.07 102.64 3fa4 h GLY 49 Ca 0.42 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.73 3fa4 h GLY 49 CO -0.17 -0.03 -0.22 0.00 0.00 0.00 0.00 176.54 176.13 3fa4 h THR 50 N -0.41 1.02 -0.33 4.70 1.03 -1.12 0.10 112.91 117.89 3fa4 h THR 50 Ca -0.01 -0.78 -0.10 0.00 -0.01 0.00 0.00 66.41 65.50 3fa4 h THR 50 Cb 0.37 1.44 -0.01 0.00 -1.07 0.00 0.00 68.15 68.88 3fa4 h THR 50 CO 0.01 0.21 -0.19 0.00 -0.01 0.00 0.00 175.52 175.54 3fa4 h ALA 51 N 1.78 0.47 -0.17 0.00 0.00 -1.10 0.40 119.26 120.64 3fa4 h ALA 51 Ca -0.00 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3fa4 h ALA 51 Cb 0.42 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3fa4 h ALA 51 CO 0.03 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.69 3fa4 h ALA 52 N 0.76 0.14 0.09 0.00 0.00 -0.87 -2.05 119.26 117.34 3fa4 h ALA 52 Ca 0.07 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3fa4 h ALA 52 Cb 0.74 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3fa4 h ALA 52 CO 0.06 -0.44 -0.05 1.03 0.00 0.00 0.00 179.25 179.85 3fa4 h SER 53 N 0.06 -0.11 0.76 0.00 0.87 -0.77 -0.44 113.55 113.92 3fa4 h SER 53 Ca 0.08 -0.45 -0.06 0.00 -1.23 0.00 0.00 61.79 60.12 3fa4 h SER 53 Cb 0.09 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3fa4 h SER 53 CO -0.13 0.54 -0.30 0.58 -0.53 0.00 0.00 176.83 176.99 3fa4 h VAL 54 N -0.91 0.78 0.00 2.23 2.07 -0.34 -3.38 116.25 116.71 3fa4 h VAL 54 Ca -0.01 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3fa4 h VAL 54 Cb 0.55 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3fa4 h VAL 54 CO 0.02 0.30 -0.30 1.41 0.02 0.00 0.00 177.57 179.01 3fa4 n HIS 55 N -3.55 0.00 -2.63 1.57 8.25 -0.82 -5.03 115.22 113.01 3fa4 n HIS 55 Ca -0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.29 3fa4 n HIS 55 Cb 0.44 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.25 3.59 -1.41 0.00 -0.17 -4.98 105.19 102.94 3fa4 n GLY 56 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 -5.17 1.92 0.83 1.61 -1.52 -1.04 -4.95 119.66 111.33 3fa4 s GLN 57 Ca 0.14 -2.11 -0.12 0.00 -1.95 0.00 0.00 55.36 51.33 3fa4 s GLN 57 Cb -0.06 -1.39 0.09 0.00 -0.22 0.00 0.00 33.01 31.43 3fa4 s GLN 57 CO 0.17 -0.15 1.15 0.00 -0.25 0.00 0.00 175.29 176.22 3fa4 s ALA 58 N -2.90 2.36 -1.07 6.09 0.00 -1.26 -3.02 121.76 121.95 3fa4 s ALA 58 Ca 0.31 -0.55 -0.22 0.00 0.00 0.00 0.00 51.96 51.49 3fa4 s ALA 58 Cb 0.08 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 20.23 3fa4 s ALA 58 CO 0.15 -1.83 1.63 0.34 0.00 0.00 0.00 175.76 176.05 3fa4 s ASP 59 N -4.34 6.25 -0.21 0.00 3.68 -1.26 -4.78 116.67 116.01 3fa4 s ASP 59 Ca 0.62 -1.55 0.12 0.00 2.13 0.00 0.00 52.55 53.87 3fa4 s ASP 59 Cb -0.12 -2.57 0.42 0.00 -1.45 0.00 0.00 42.92 39.19 3fa4 s ASP 59 CO 0.51 -1.75 1.26 0.18 0.13 0.00 0.00 175.17 175.50 3fa4 n LEU 60 N 10.01 2.96 -2.84 -1.34 4.77 -1.26 -4.94 117.00 124.36 3fa4 n LEU 60 Ca 0.39 -3.70 -0.18 0.00 -0.03 0.00 0.00 56.01 52.49 3fa4 n LEU 60 Cb 0.49 -0.53 0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3fa4 n LEU 60 CO 0.67 1.23 0.18 0.61 -1.33 0.00 0.00 177.39 178.75 3fa4 n GLY 61 N -1.15 -0.18 0.08 -0.72 0.00 -1.26 -4.96 105.19 97.00 3fa4 n GLY 61 Ca 0.21 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 3fa4 n GLY 61 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3fa4 n ILE 62 N -4.36 1.11 -2.30 -0.61 0.00 -1.26 -4.92 119.36 107.02 3fa4 n ILE 62 Ca -0.00 -0.67 -0.42 0.00 0.00 0.00 0.00 62.75 61.65 3fa4 n ILE 62 Cb 0.55 -0.61 -0.03 0.00 0.00 0.00 0.00 39.64 39.55 3fa4 n ILE 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3fa4 s THR 64 N 2.16 2.07 0.10 0.00 -4.23 -1.26 -4.83 115.64 109.66 3fa4 s THR 64 Ca 0.61 -0.29 -0.25 0.00 -1.18 0.00 0.00 61.69 60.59 3fa4 s THR 64 Cb -0.30 -2.78 -0.10 0.00 1.34 0.00 0.00 72.50 70.66 3fa4 s THR 64 CO 0.26 0.00 1.69 0.25 -0.54 0.00 0.00 174.62 176.27 3fa4 h LEU 65 N -1.08 -0.36 -0.64 4.79 5.85 -1.97 -2.09 115.31 119.82 3fa4 h LEU 65 Ca -0.41 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.44 3fa4 h LEU 65 Cb 1.25 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.33 3fa4 h LEU 65 CO 0.40 -0.19 -0.30 0.59 -0.34 0.00 0.00 178.44 178.60 3fa4 n ASN 66 N -5.25 -0.52 -0.00 1.25 4.13 -1.26 -1.30 115.26 112.30 3fa4 n ASN 66 Ca -0.06 1.12 -0.12 0.00 1.68 0.00 0.00 54.58 57.20 3fa4 n ASN 66 Cb 0.17 -0.21 -0.07 0.00 -1.54 0.00 0.00 39.78 38.13 3fa4 n ASN 66 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3fa4 h ASP 67 N 0.00 0.08 -0.38 6.41 3.32 -1.81 -2.81 116.42 121.22 3fa4 h ASP 67 Ca 0.18 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 3fa4 h ASP 67 Cb 0.34 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3fa4 h ASP 67 CO -0.62 0.27 0.06 0.24 -1.72 0.00 0.00 179.24 177.47 3fa4 h MET 68 N -0.11 0.64 -0.81 3.56 2.86 -0.95 -3.03 114.93 117.08 3fa4 h MET 68 Ca 0.02 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 3fa4 h MET 68 Cb 0.22 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 3fa4 h MET 68 CO -0.00 0.69 0.34 -0.09 1.06 0.00 0.00 176.91 178.92 3fa4 h ARG 69 N 0.48 1.21 -0.22 1.72 1.12 -1.29 -0.96 114.38 116.44 3fa4 h ARG 69 Ca 0.12 -0.21 -0.03 0.00 -1.11 0.00 0.00 59.98 58.74 3fa4 h ARG 69 Cb 0.37 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 30.12 3fa4 h ARG 69 CO 0.01 0.96 0.00 0.00 -3.11 0.00 0.00 179.97 177.83 3fa4 h ALA 70 N 1.19 0.30 -0.29 2.80 0.00 -1.45 -1.74 119.26 120.06 3fa4 h ALA 70 Ca 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3fa4 h ALA 70 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3fa4 h ALA 70 CO -0.03 0.02 0.13 -0.97 0.00 0.00 0.00 179.25 178.41 3fa4 h ASN 71 N 0.16 0.39 -0.79 0.00 -1.24 -1.53 -1.85 115.58 110.72 3fa4 h ASN 71 Ca 0.06 -0.14 0.08 0.00 0.71 0.00 0.00 56.30 57.01 3fa4 h ASN 71 Cb 0.40 -0.10 -0.07 0.00 0.73 0.00 0.00 38.32 39.28 3fa4 h ASN 71 CO 0.01 0.42 0.45 0.00 -1.29 0.00 0.00 177.43 177.03 3fa4 h ALA 72 N 0.99 1.10 0.02 1.57 0.00 -1.06 -0.66 119.26 121.22 3fa4 h ALA 72 Ca 0.10 0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.76 3fa4 h ALA 72 Cb 0.14 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.80 3fa4 h ALA 72 CO -0.01 0.12 -1.07 1.49 0.00 0.00 0.00 179.25 179.77 3fa4 h GLU 73 N 0.79 0.69 -0.20 0.00 4.81 -1.31 -0.38 114.58 118.99 3fa4 h GLU 73 Ca 0.37 -0.77 -0.13 0.00 -0.13 0.00 0.00 59.36 58.70 3fa4 h GLU 73 Cb 0.28 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3fa4 h GLU 73 CO -0.22 1.33 -0.43 0.00 -0.73 0.00 0.00 179.01 178.97 3fa4 h MET 74 N 0.38 0.47 -0.44 1.92 -0.00 -1.07 -2.88 114.93 113.31 3fa4 h MET 74 Ca -0.14 -0.25 -0.13 0.00 -0.00 0.00 0.00 59.70 59.19 3fa4 h MET 74 Cb 1.73 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 33.32 3fa4 h MET 74 CO 0.21 0.82 -0.23 0.82 -0.00 0.00 0.00 176.91 178.52 3fa4 h ILE 75 N 0.39 1.27 0.00 -0.10 2.04 -1.10 -3.16 117.51 116.85 3fa4 h ILE 75 Ca 0.03 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 3fa4 h ILE 75 Cb 0.91 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3fa4 h ILE 75 CO 0.08 0.47 -0.07 0.28 0.00 0.00 0.00 178.15 178.91 3fa4 h SER 76 N 0.78 0.00 -0.16 1.72 0.02 -0.94 -3.18 113.55 111.79 3fa4 h SER 76 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3fa4 h SER 76 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3fa4 h SER 76 CO 0.07 0.07 0.00 0.59 -1.14 0.00 0.00 176.83 176.42 3fa4 n ASN 77 N -3.30 2.40 -0.33 3.07 3.02 -1.10 -3.95 115.26 115.07 3fa4 n ASN 77 Ca -0.01 -1.95 0.03 0.00 -0.03 0.00 0.00 54.58 52.63 3fa4 n ASN 77 Cb 0.25 -0.11 0.22 0.00 -0.61 0.00 0.00 39.78 39.53 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 1.03 1.08 -2.00 2.41 2.04 -1.52 -3.38 117.51 117.16 3fa4 h ILE 78 Ca 0.00 -0.37 -0.40 0.00 1.00 0.00 0.00 64.86 65.09 3fa4 h ILE 78 Cb 0.59 -0.10 -0.32 0.00 -0.74 0.00 0.00 36.82 36.25 3fa4 h ILE 78 CO 0.00 0.20 -0.72 -0.55 0.00 0.00 0.00 178.15 177.08 3fa4 s SER 79 N -5.98 1.22 0.58 1.72 0.15 -1.26 -5.03 113.70 105.10 3fa4 s SER 79 Ca -0.12 -1.81 0.29 0.00 0.70 0.00 0.00 55.95 55.01 3fa4 s SER 79 Cb 0.20 0.44 1.45 0.00 -1.71 0.00 0.00 66.02 66.40 3fa4 s SER 79 CO 0.80 -0.24 1.87 -0.65 1.20 0.00 0.00 173.24 176.22 3fa4 h PRO 80 N 6.78 0.00 0.00 5.44 0.11 -1.75 -1.94 132.00 140.64 3fa4 h PRO 80 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3fa4 h PRO 80 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3fa4 h PRO 80 CO 0.21 0.00 -0.27 -1.13 -0.21 0.00 0.00 178.00 176.59 3fa4 n SER 81 N -3.80 0.55 -4.64 -2.05 3.41 -1.26 -4.15 113.62 101.68 3fa4 n SER 81 Ca 0.11 0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 58.59 3fa4 n SER 81 Cb 0.77 -0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.40 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 -3.08 4.86 0.23 6.66 2.01 -0.73 -4.84 115.64 120.74 3fa4 s THR 82 Ca 0.10 1.48 -0.30 0.00 0.31 0.00 0.00 61.69 63.29 3fa4 s THR 82 Cb 0.15 -4.09 -0.09 0.00 0.01 0.00 0.00 72.50 68.48 3fa4 s THR 82 CO 0.64 -0.07 1.19 -2.84 -0.69 0.00 0.00 174.62 172.85 3fa4 s PRO 83 N 2.80 4.52 -0.16 4.92 0.02 -1.25 -4.84 135.00 140.99 3fa4 s PRO 83 Ca 0.33 1.90 -0.01 0.00 0.02 0.00 0.00 61.00 63.24 3fa4 s PRO 83 Cb -0.15 -3.21 -0.01 0.00 0.02 0.00 0.00 34.50 31.15 3fa4 s PRO 83 CO 0.08 -0.02 -0.10 0.08 -0.33 0.00 0.00 177.00 176.71 3fa4 s VAL 84 N -0.46 3.19 -0.23 3.83 1.01 -1.26 -1.65 120.40 124.83 3fa4 s VAL 84 Ca 0.50 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 3fa4 s VAL 84 Cb -0.33 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3fa4 s VAL 84 CO 0.39 0.50 0.08 -0.63 0.00 0.00 0.00 175.10 175.44 3fa4 s ILE 85 N 0.69 4.49 0.00 2.22 1.01 -0.33 -0.42 121.20 128.86 3fa4 s ILE 85 Ca -0.05 -0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.56 3fa4 s ILE 85 Cb -0.15 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 3fa4 s ILE 85 CO 0.02 0.36 -0.24 0.00 0.00 0.00 0.00 174.94 175.09 3fa4 s ALA 86 N 1.31 1.98 0.12 9.38 0.00 -0.05 -0.33 121.76 134.16 3fa4 s ALA 86 Ca 0.05 -1.06 -0.33 0.00 0.00 0.00 0.00 51.96 50.62 3fa4 s ALA 86 Cb -0.15 -0.47 -0.13 0.00 0.00 0.00 0.00 23.12 22.38 3fa4 s ALA 86 CO 0.04 0.48 1.70 -3.47 0.00 0.00 0.00 175.76 174.50 3fa4 n ASP 87 N 2.29 3.45 -0.70 0.00 -0.08 -1.02 -2.62 116.55 117.87 3fa4 n ASP 87 Ca -0.16 1.04 0.04 0.00 -1.51 0.00 0.00 54.79 54.20 3fa4 n ASP 87 Cb 0.52 -1.46 0.20 0.00 2.34 0.00 0.00 41.12 42.73 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 4.47 3.78 0.00 -1.67 0.00 -0.93 -4.87 120.51 121.29 3fa4 n ALA 88 Ca 0.18 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.31 3fa4 n ALA 88 Cb 0.31 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.11 0.00 -0.83 0.00 8.00 -1.25 -0.99 116.55 120.37 3fa4 n ASP 89 Ca 0.21 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.84 3fa4 n ASP 89 Cb 0.73 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 42.08 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 0.10 -0.32 -3.53 -2.24 -1.26 -1.90 114.28 105.13 3fa4 n THR 90 Ca 0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3fa4 n THR 90 Cb 0.00 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.31 0.76 2.21 3.38 0.00 -0.16 -4.59 105.19 108.11 3fa4 n GLY 91 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.17 0.00 0.00 1.61 4.02 -1.26 -2.94 117.16 116.41 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 -1.07 0.00 0.00 -0.02 0.00 0.00 39.34 38.25 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 -2.11 0.07 0.58 2.72 0.00 -1.26 -4.92 105.19 100.27 3fa4 n GLY 93 Ca -0.04 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.25 0.33 -0.02 0.00 -1.26 -4.53 105.19 97.47 3fa4 n GLY 94 Ca 0.00 -1.50 0.20 0.00 0.00 0.00 0.00 46.02 44.72 3fa4 n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fa4 h PRO 95 N 0.00 0.38 -0.58 1.61 0.11 -1.96 -2.17 132.00 129.38 3fa4 h PRO 95 Ca -0.07 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.12 3fa4 h PRO 95 Cb 0.20 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.15 3fa4 h PRO 95 CO 0.04 0.25 0.18 0.82 -0.21 0.00 0.00 178.00 179.08 3fa4 h ILE 96 N 0.39 0.73 0.00 4.15 1.08 -1.98 -2.56 117.51 119.32 3fa4 h ILE 96 Ca 0.67 -0.12 -0.14 0.00 -0.39 0.00 0.00 64.86 64.89 3fa4 h ILE 96 Cb 1.41 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 3fa4 h ILE 96 CO -0.57 0.06 -0.65 0.24 -0.69 0.00 0.00 178.15 176.54 3fa4 h MET 97 N 0.34 0.00 0.07 2.37 2.86 -1.73 -2.78 114.93 116.05 3fa4 h MET 97 Ca 0.29 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3fa4 h MET 97 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3fa4 h MET 97 CO -0.33 0.65 -0.03 0.28 1.06 0.00 0.00 176.91 178.54 3fa4 h VAL 98 N 0.00 1.03 -0.45 -2.22 2.07 -1.29 -1.53 116.25 113.86 3fa4 h VAL 98 Ca -0.01 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.26 3fa4 h VAL 98 Cb 1.34 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 3fa4 h VAL 98 CO 0.08 0.08 0.12 0.00 0.02 0.00 0.00 177.57 177.88 3fa4 h ALA 99 N 0.69 0.52 -0.18 1.67 0.00 -1.45 0.25 119.26 120.75 3fa4 h ALA 99 Ca -0.01 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3fa4 h ALA 99 Cb 0.20 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3fa4 h ALA 99 CO 0.02 -0.28 -0.34 0.00 0.00 0.00 0.00 179.25 178.65 3fa4 h ARG 100 N 0.27 0.37 -0.07 0.00 3.08 -1.54 -0.98 114.38 115.52 3fa4 h ARG 100 Ca 0.22 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3fa4 h ARG 100 Cb 0.25 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3fa4 h ARG 100 CO -0.26 0.67 0.02 1.15 -1.07 0.00 0.00 179.97 180.49 3fa4 h THR 101 N 0.32 1.16 -0.92 2.04 2.02 -0.49 -1.00 112.91 116.04 3fa4 h THR 101 Ca 0.04 -0.49 0.15 0.00 0.77 0.00 0.00 66.41 66.88 3fa4 h THR 101 Cb 0.76 1.37 -0.10 0.00 -1.74 0.00 0.00 68.15 68.44 3fa4 h THR 101 CO 0.06 0.14 0.52 0.74 0.37 0.00 0.00 175.52 177.35 3fa4 h THR 102 N -0.08 0.76 0.03 3.16 2.02 -0.10 0.73 112.91 119.44 3fa4 h THR 102 Ca 0.02 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 3fa4 h THR 102 Cb 0.20 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 3fa4 h THR 102 CO -0.00 0.13 -0.33 -0.33 0.37 0.00 0.00 175.52 175.36 3fa4 h GLU 103 N 0.73 0.06 0.51 6.66 5.08 -1.10 -1.78 114.58 124.75 3fa4 h GLU 103 Ca 0.50 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 3fa4 h GLU 103 Cb 0.69 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3fa4 h GLU 103 CO -0.35 1.05 -0.41 1.96 -1.00 0.00 0.00 179.01 180.26 3fa4 h GLN 104 N -0.86 -0.88 -0.94 2.33 4.20 -1.10 -1.82 115.11 116.05 3fa4 h GLN 104 Ca -0.07 0.06 0.29 0.00 0.06 0.00 0.00 58.65 58.98 3fa4 h GLN 104 Cb 1.18 0.20 -0.15 0.00 0.30 0.00 0.00 27.48 29.00 3fa4 h GLN 104 CO 0.01 -0.58 0.34 1.88 -0.67 0.00 0.00 178.83 179.81 3fa4 h TYR 105 N -0.91 0.53 -0.11 2.96 -1.99 -0.93 0.18 116.97 116.69 3fa4 h TYR 105 Ca -0.06 0.05 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 3fa4 h TYR 105 Cb 0.77 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 39.42 3fa4 h TYR 105 CO -0.17 -0.26 -0.09 0.77 -0.00 0.00 0.00 178.16 178.41 3fa4 h SER 106 N 0.19 0.28 0.50 3.88 0.02 -1.13 -1.63 113.55 115.66 3fa4 h SER 106 Ca 0.65 -0.46 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3fa4 h SER 106 Cb 1.43 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 3fa4 h SER 106 CO -0.69 0.68 -0.27 0.03 -1.14 0.00 0.00 176.83 175.44 3fa4 h ARG 107 N -0.12 0.00 0.00 3.45 3.08 -0.95 -1.63 114.38 118.20 3fa4 h ARG 107 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3fa4 h ARG 107 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3fa4 h ARG 107 CO 0.02 0.27 0.00 0.43 -1.07 0.00 0.00 179.97 179.62 3fa4 n SER 108 N -3.79 0.00 -1.54 7.04 7.64 0.02 -4.91 113.62 118.09 3fa4 n SER 108 Ca -0.01 -0.21 -0.16 0.00 1.01 0.00 0.00 58.87 59.50 3fa4 n SER 108 Cb 0.36 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.09 0.52 3.73 0.23 0.00 -0.61 -4.65 105.19 104.32 3fa4 n GLY 109 Ca 0.09 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.70 2.39 0.03 1.61 1.01 -0.62 -4.56 120.40 117.56 3fa4 s VAL 110 Ca 0.00 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.32 3fa4 s VAL 110 Cb 0.00 -3.19 -0.25 0.00 0.00 0.00 0.00 36.38 32.94 3fa4 s VAL 110 CO 0.00 0.04 0.94 0.00 0.00 0.00 0.00 175.10 176.08 3fa4 h ALA 111 N 5.84 0.41 -2.46 5.51 0.00 -1.05 -3.42 119.26 124.10 3fa4 h ALA 111 Ca -0.45 -1.13 -0.10 0.00 0.00 0.00 0.00 54.91 53.24 3fa4 h ALA 111 Cb 1.21 0.19 -0.19 0.00 0.00 0.00 0.00 17.79 19.01 3fa4 h ALA 111 CO 0.86 1.27 -0.17 0.00 0.00 0.00 0.00 179.25 181.21 3fa4 s ALA 112 N -2.64 -0.95 0.05 0.00 0.00 -0.62 -1.70 121.76 115.91 3fa4 s ALA 112 Ca -0.05 0.40 -0.05 0.00 0.00 0.00 0.00 51.96 52.26 3fa4 s ALA 112 Cb 0.08 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 3fa4 s ALA 112 CO 0.84 -0.35 0.07 -0.59 0.00 0.00 0.00 175.76 175.73 3fa4 s PHE 113 N -1.79 0.29 0.01 0.00 -0.12 -0.80 -0.87 117.98 114.70 3fa4 s PHE 113 Ca -0.10 -0.70 0.07 0.00 -0.05 0.00 0.00 56.93 56.15 3fa4 s PHE 113 Cb -0.03 -0.20 -0.03 0.00 -0.63 0.00 0.00 43.02 42.13 3fa4 s PHE 113 CO 0.02 -0.40 -0.19 -3.38 -0.05 0.00 0.00 175.22 171.22 3fa4 s HIS 114 N -3.24 2.53 -0.07 3.49 -3.43 -1.08 -1.42 115.29 112.06 3fa4 s HIS 114 Ca 0.00 -0.28 0.04 0.00 -0.80 0.00 0.00 55.06 54.03 3fa4 s HIS 114 Cb 0.03 -1.51 -0.00 0.00 -1.43 0.00 0.00 32.58 29.67 3fa4 s HIS 114 CO -0.08 0.17 -0.21 0.42 -2.00 0.00 0.00 174.74 173.04 3fa4 s ILE 115 N -0.81 1.81 0.33 -5.38 1.01 -0.87 -2.19 121.20 115.10 3fa4 s ILE 115 Ca 0.13 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.92 3fa4 s ILE 115 Cb -0.10 -1.56 0.04 0.00 0.01 0.00 0.00 42.46 40.85 3fa4 s ILE 115 CO 0.03 0.51 0.36 -1.84 0.00 0.00 0.00 174.94 173.99 3fa4 n GLU 116 N 3.36 0.89 -0.30 2.79 0.28 -0.80 -1.74 120.64 125.12 3fa4 n GLU 116 Ca -0.19 -1.92 0.05 0.00 -0.16 0.00 0.00 57.16 54.95 3fa4 n GLU 116 Cb 0.53 0.03 0.08 0.00 1.43 0.00 0.00 31.44 33.50 3fa4 n GLU 116 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3fa4 n ASP 117 N -2.26 1.26 -4.88 -1.84 5.75 -1.24 -4.73 116.55 108.60 3fa4 n ASP 117 Ca 0.04 -2.60 -0.30 0.00 -0.01 0.00 0.00 54.79 51.93 3fa4 n ASP 117 Cb 0.36 -0.33 0.03 0.00 -1.03 0.00 0.00 41.12 40.15 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 -1.54 3.15 0.73 0.11 -0.21 -1.26 -1.07 119.66 119.57 3fa4 s GLN 118 Ca 0.18 0.48 -0.15 0.00 0.02 0.00 0.00 55.36 55.89 3fa4 s GLN 118 Cb 0.16 -2.09 0.04 0.00 1.00 0.00 0.00 33.01 32.12 3fa4 s GLN 118 CO 0.01 -0.79 1.21 0.08 -2.12 0.00 0.00 175.29 173.68 3fa4 s VAL 119 N -3.22 2.27 -0.78 1.09 1.01 -1.26 -4.43 120.40 115.08 3fa4 s VAL 119 Ca 0.56 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3fa4 s VAL 119 Cb -0.11 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3fa4 s VAL 119 CO 0.51 -0.07 0.06 1.67 0.00 0.00 0.00 175.10 177.27 3fa4 n GLN 120 N -2.73 0.10 -1.78 2.72 7.27 -1.26 -4.96 117.38 116.75 3fa4 n GLN 120 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.21 3fa4 n GLN 120 Cb 0.50 -1.14 0.00 0.00 2.41 0.00 0.00 30.24 32.01 3fa4 n GLN 120 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 3fa4 n ILE 131 N 0.56 -5.57 -5.15 1.69 -0.00 -1.26 -5.05 119.36 104.58 3fa4 n ILE 131 Ca 0.00 2.55 -0.29 0.00 -0.00 0.00 0.00 62.75 65.00 3fa4 n ILE 131 Cb 0.03 -3.38 -0.16 0.00 -0.00 0.00 0.00 39.64 36.14 3fa4 n ILE 131 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 3fa4 s LEU 132 N -2.20 2.06 0.91 1.39 1.02 -1.26 -4.57 118.68 116.04 3fa4 s LEU 132 Ca 0.00 -0.45 -0.12 0.00 0.02 0.00 0.00 54.13 53.58 3fa4 s LEU 132 Cb 0.00 -1.23 0.14 0.00 0.02 0.00 0.00 46.19 45.11 3fa4 s LEU 132 CO 0.00 0.29 1.12 0.68 0.02 0.00 0.00 176.35 178.46 3fa4 s VAL 133 N -0.60 2.20 0.59 -1.59 -7.23 -0.23 -4.76 120.40 108.77 3fa4 s VAL 133 Ca 0.09 0.06 -0.02 0.00 -1.81 0.00 0.00 61.98 60.31 3fa4 s VAL 133 Cb -0.09 -2.75 0.04 0.00 0.56 0.00 0.00 36.38 34.13 3fa4 s VAL 133 CO -0.01 -0.08 0.84 1.51 -0.31 0.00 0.00 175.10 177.05 3fa4 s ASP 134 N -3.87 5.21 0.26 4.85 1.47 -1.26 -4.84 116.67 118.49 3fa4 s ASP 134 Ca 0.64 0.19 -0.01 0.00 1.18 0.00 0.00 52.55 54.55 3fa4 s ASP 134 Cb -0.16 -1.05 0.35 0.00 -0.34 0.00 0.00 42.92 41.72 3fa4 s ASP 134 CO 0.54 -1.23 1.75 0.74 0.68 0.00 0.00 175.17 177.65 3fa4 h THR 135 N -0.11 1.24 -0.45 2.11 2.02 -1.98 -0.49 112.91 115.26 3fa4 h THR 135 Ca -0.43 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 65.69 3fa4 h THR 135 Cb 1.30 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 3fa4 h THR 135 CO 0.55 0.36 0.26 0.44 0.37 0.00 0.00 175.52 177.51 3fa4 h ASP 136 N 0.67 0.55 -0.23 4.18 3.32 -1.97 0.22 116.42 123.16 3fa4 h ASP 136 Ca 0.12 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3fa4 h ASP 136 Cb 0.50 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3fa4 h ASP 136 CO 0.03 0.46 -0.04 0.74 -1.72 0.00 0.00 179.24 178.71 3fa4 h THR 137 N 0.60 1.28 -0.30 0.35 2.02 -1.78 -1.55 112.91 113.52 3fa4 h THR 137 Ca 0.16 -1.01 0.07 0.00 0.77 0.00 0.00 66.41 66.40 3fa4 h THR 137 Cb 0.02 1.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.84 3fa4 h THR 137 CO -0.03 0.31 -0.19 0.22 0.37 0.00 0.00 175.52 176.21 3fa4 h TYR 138 N 0.17 -0.48 0.00 3.16 3.20 -1.05 -2.32 116.97 119.66 3fa4 h TYR 138 Ca 0.06 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3fa4 h TYR 138 Cb 0.48 0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.01 3fa4 h TYR 138 CO 0.05 -0.26 0.00 0.28 -1.64 0.00 0.00 178.16 176.58 3fa4 h VAL 139 N -0.15 0.00 0.06 1.81 2.07 -0.29 0.23 116.25 119.98 3fa4 h VAL 139 Ca 0.16 -0.18 -0.27 0.00 0.82 0.00 0.00 66.70 67.23 3fa4 h VAL 139 Cb 0.40 1.11 0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3fa4 h VAL 139 CO -0.40 0.00 -1.11 0.74 0.02 0.00 0.00 177.57 176.82 3fa4 h THR 140 N 0.00 1.34 -0.69 2.57 2.02 -0.76 -1.60 112.91 115.78 3fa4 h THR 140 Ca 0.00 -2.47 -0.06 0.00 0.77 0.00 0.00 66.41 64.64 3fa4 h THR 140 Cb 0.19 2.57 -0.03 0.00 -1.74 0.00 0.00 68.15 69.14 3fa4 h THR 140 CO 0.00 0.75 0.18 0.03 0.37 0.00 0.00 175.52 176.85 3fa4 h ARG 141 N 0.27 1.08 0.10 6.66 3.08 -0.51 -1.46 114.38 123.60 3fa4 h ARG 141 Ca -0.14 -0.24 -0.29 0.00 0.07 0.00 0.00 59.98 59.38 3fa4 h ARG 141 Cb 1.77 -0.15 0.02 0.00 0.08 0.00 0.00 29.97 31.70 3fa4 h ARG 141 CO 0.21 0.95 -1.20 -0.84 -1.07 0.00 0.00 179.97 178.01 3fa4 h ILE 142 N 1.03 1.30 -0.50 2.04 -0.00 -1.41 -2.04 117.51 117.95 3fa4 h ILE 142 Ca 0.22 -2.47 -0.07 0.00 -0.00 0.00 0.00 64.86 62.54 3fa4 h ILE 142 Cb 0.34 2.64 -0.02 0.00 -0.00 0.00 0.00 36.82 39.78 3fa4 h ILE 142 CO -0.00 0.75 0.02 -0.09 -0.00 0.00 0.00 178.15 178.83 3fa4 h ARG 143 N 0.28 0.81 0.14 0.16 2.43 -1.32 -0.70 114.38 116.19 3fa4 h ARG 143 Ca -0.17 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3fa4 h ARG 143 Cb 1.87 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.31 3fa4 h ARG 143 CO 0.23 0.80 -0.12 0.00 -1.51 0.00 0.00 179.97 179.37 3fa4 h ALA 144 N 1.26 -0.25 -0.33 2.80 0.00 -1.16 -1.80 119.26 119.78 3fa4 h ALA 144 Ca 0.15 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3fa4 h ALA 144 Cb 0.43 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 3fa4 h ALA 144 CO 0.02 -0.65 -0.42 0.00 0.00 0.00 0.00 179.25 178.20 3fa4 h ALA 145 N 0.57 -0.46 -0.13 0.00 0.00 -1.21 -1.58 119.26 116.46 3fa4 h ALA 145 Ca -0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fa4 h ALA 145 Cb 0.25 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3fa4 h ALA 145 CO -0.02 -0.87 0.07 0.28 0.00 0.00 0.00 179.25 178.71 3fa4 h VAL 146 N -0.37 1.09 -0.15 0.00 2.07 -0.88 -2.70 116.25 115.31 3fa4 h VAL 146 Ca 0.12 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 3fa4 h VAL 146 Cb 0.59 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3fa4 h VAL 146 CO -0.52 0.08 -0.23 1.56 0.02 0.00 0.00 177.57 178.48 3fa4 h GLN 147 N 0.11 0.26 -0.67 1.57 4.20 -1.37 -2.62 115.11 116.60 3fa4 h GLN 147 Ca 0.05 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3fa4 h GLN 147 Cb 0.07 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 3fa4 h GLN 147 CO -0.01 0.48 0.15 0.00 -0.67 0.00 0.00 178.83 178.78 3fa4 h ALA 148 N 1.53 0.88 -0.07 3.87 0.00 -0.98 -2.73 119.26 121.77 3fa4 h ALA 148 Ca 0.04 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 3fa4 h ALA 148 Cb 0.54 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3fa4 h ALA 148 CO 0.04 0.61 -0.64 0.07 0.00 0.00 0.00 179.25 179.33 3fa4 h ARG 149 N 1.00 0.26 -0.48 0.00 0.11 -1.36 -3.17 114.38 110.75 3fa4 h ARG 149 Ca 0.21 -0.19 -0.04 0.00 0.10 0.00 0.00 59.98 60.06 3fa4 h ARG 149 Cb 0.39 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.48 3fa4 h ARG 149 CO 0.01 0.81 0.13 1.96 0.10 0.00 0.00 179.97 182.97 3fa4 h GLN 150 N 0.18 0.75 -0.47 0.08 4.20 -1.35 0.12 115.11 118.62 3fa4 h GLN 150 Ca -0.01 -0.17 0.10 0.00 0.06 0.00 0.00 58.65 58.62 3fa4 h GLN 150 Cb 1.17 -0.10 -0.10 0.00 0.30 0.00 0.00 27.48 28.75 3fa4 h GLN 150 CO 0.10 0.73 -0.18 0.00 -0.67 0.00 0.00 178.83 178.81 3fa4 h ARG 151 N 0.64 -0.07 -0.00 1.46 3.08 -1.55 -2.63 114.38 115.31 3fa4 h ARG 151 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3fa4 h ARG 151 Cb 0.30 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3fa4 h ARG 151 CO -0.00 -0.05 -0.08 0.44 -1.07 0.00 0.00 179.97 179.22 3fa4 n ILE 152 N -5.38 0.00 -1.25 2.04 -5.35 -1.15 -4.93 119.36 103.33 3fa4 n ILE 152 Ca 0.04 -0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.50 3fa4 n ILE 152 Cb 0.29 -0.37 -0.01 0.00 -1.74 0.00 0.00 39.64 37.81 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 1.47 0.48 3.82 3.28 0.00 -0.73 -5.04 105.19 108.47 3fa4 n GLY 153 Ca 0.08 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.97 6.99 0.00 1.61 0.15 0.32 -4.97 113.70 114.84 3fa4 s SER 154 Ca 0.00 1.66 0.13 0.00 0.70 0.00 0.00 55.95 58.44 3fa4 s SER 154 Cb 0.00 -2.52 0.31 0.00 -1.71 0.00 0.00 66.02 62.10 3fa4 s SER 154 CO 0.00 -0.28 1.22 0.47 1.20 0.00 0.00 173.24 175.85 3fa4 n ASP 155 N -0.36 2.89 -4.55 5.45 8.00 -1.26 -4.58 116.55 122.14 3fa4 n ASP 155 Ca 0.05 -1.89 -0.53 0.00 0.71 0.00 0.00 54.79 53.14 3fa4 n ASP 155 Cb 0.53 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.36 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 0.77 0.41 -2.79 0.53 3.06 -1.26 -4.48 119.36 115.59 3fa4 n ILE 156 Ca 0.13 -0.10 -0.42 0.00 -2.50 0.00 0.00 62.75 59.86 3fa4 n ILE 156 Cb 0.44 -0.56 -0.03 0.00 0.54 0.00 0.00 39.64 40.02 3fa4 n ILE 156 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3fa4 s VAL 157 N 0.05 4.82 -0.38 9.51 1.01 -0.69 -4.98 120.40 129.75 3fa4 s VAL 157 Ca 0.81 1.82 -0.18 0.00 0.00 0.00 0.00 61.98 64.44 3fa4 s VAL 157 Cb -1.00 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.16 3fa4 s VAL 157 CO 0.52 -0.01 0.51 -0.69 0.00 0.00 0.00 175.10 175.43 3fa4 s VAL 158 N 2.24 5.01 -0.29 2.92 1.01 -1.26 -1.90 120.40 128.13 3fa4 s VAL 158 Ca 0.42 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.47 3fa4 s VAL 158 Cb -0.17 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 3fa4 s VAL 158 CO 0.13 -0.31 0.11 -0.63 0.00 0.00 0.00 175.10 174.41 3fa4 s ILE 159 N 2.39 4.35 -0.37 2.22 1.01 -0.51 0.20 121.20 130.48 3fa4 s ILE 159 Ca 0.18 -0.44 -0.21 0.00 0.00 0.00 0.00 60.65 60.17 3fa4 s ILE 159 Cb -0.16 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.14 3fa4 s ILE 159 CO 0.14 0.14 0.68 0.00 0.00 0.00 0.00 174.94 175.90 3fa4 s ALA 160 N 1.58 3.43 -0.14 9.38 0.00 0.41 -2.05 121.76 134.37 3fa4 s ALA 160 Ca 0.04 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 3fa4 s ALA 160 Cb -0.17 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3fa4 s ALA 160 CO 0.04 -1.45 0.03 0.50 0.00 0.00 0.00 175.76 174.88 3fa4 s ARG 161 N 2.85 3.54 -0.07 0.00 3.52 -0.71 0.37 118.95 128.44 3fa4 s ARG 161 Ca 0.26 -0.39 0.05 0.00 -0.13 0.00 0.00 55.73 55.53 3fa4 s ARG 161 Cb -0.14 -3.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.24 3fa4 s ARG 161 CO 0.16 0.45 -0.24 -0.08 -0.81 0.00 0.00 175.30 174.79 3fa4 s THR 162 N -0.17 1.97 -0.43 4.11 -1.32 -0.35 -3.66 115.64 115.80 3fa4 s THR 162 Ca 0.06 -1.01 0.13 0.00 -1.21 0.00 0.00 61.69 59.66 3fa4 s THR 162 Cb -0.12 -1.68 0.74 0.00 -1.51 0.00 0.00 72.50 69.93 3fa4 s THR 162 CO 0.02 0.55 1.63 0.47 -2.21 0.00 0.00 174.62 175.08 3fa4 n ASP 163 N 3.14 5.23 0.13 8.08 8.00 -1.26 -2.18 116.55 137.69 3fa4 n ASP 163 Ca -0.18 -2.79 0.13 0.00 0.71 0.00 0.00 54.79 52.65 3fa4 n ASP 163 Cb 0.52 -0.66 0.41 0.00 -0.02 0.00 0.00 41.12 41.37 3fa4 n ASP 163 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3fa4 h SER 164 N 3.68 0.00 0.11 -2.24 4.64 -1.94 -3.37 113.55 114.43 3fa4 h SER 164 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3fa4 h SER 164 Cb 1.80 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.85 3fa4 h SER 164 CO 0.42 0.00 -0.24 0.25 -0.87 0.00 0.00 176.83 176.39 3fa4 h LEU 165 N 0.00 -0.68 -1.20 5.97 5.85 -1.82 0.13 115.31 123.57 3fa4 h LEU 165 Ca 0.00 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3fa4 h LEU 165 Cb 0.69 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 3fa4 h LEU 165 CO 0.00 -0.33 0.23 -0.61 -0.34 0.00 0.00 178.44 177.40 3fa4 h GLN 166 N -0.44 0.79 0.00 1.25 4.15 -1.87 0.66 115.11 119.66 3fa4 h GLN 166 Ca 0.03 -0.11 -0.31 0.00 0.77 0.00 0.00 58.65 59.03 3fa4 h GLN 166 Cb 0.46 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 27.95 3fa4 h GLN 166 CO -0.14 0.64 -2.17 0.25 -1.93 0.00 0.00 178.83 175.48 3fa4 n THR 167 N -4.34 1.18 0.06 2.39 -2.24 -1.17 -4.69 114.28 105.47 3fa4 n THR 167 Ca 0.05 -0.64 0.01 0.00 -2.27 0.00 0.00 64.05 61.20 3fa4 n THR 167 Cb 0.15 -0.78 -0.01 0.00 -2.10 0.00 0.00 70.33 67.59 3fa4 n THR 167 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fa4 n HIS 168 N -2.78 0.00 0.00 4.78 8.25 0.41 -5.14 115.22 120.74 3fa4 n HIS 168 Ca -0.31 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 3fa4 n HIS 168 Cb 1.00 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.10 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 1.41 -0.78 0.26 -1.41 0.00 0.22 -4.53 105.19 100.37 3fa4 n GLY 169 Ca 0.00 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 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 0.95 -0.51 1.61 3.20 -1.89 -2.83 116.97 117.50 3fa4 h TYR 170 Ca 0.00 -0.16 -0.10 0.00 3.14 0.00 0.00 58.73 61.61 3fa4 h TYR 170 Cb 0.00 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 3fa4 h TYR 170 CO 0.00 0.88 -0.07 0.93 -1.64 0.00 0.00 178.16 178.26 3fa4 h GLU 171 N 0.73 0.96 -0.63 1.82 4.39 -1.98 -1.88 114.58 117.99 3fa4 h GLU 171 Ca 0.14 -0.34 0.12 0.00 0.34 0.00 0.00 59.36 59.62 3fa4 h GLU 171 Cb 0.50 -0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 28.99 3fa4 h GLU 171 CO 0.02 1.01 0.17 1.49 -1.16 0.00 0.00 179.01 180.54 3fa4 h GLU 172 N 0.82 0.30 0.01 2.33 4.57 -1.77 -1.78 114.58 119.06 3fa4 h GLU 172 Ca 0.14 -0.02 -0.23 0.00 -1.18 0.00 0.00 59.36 58.06 3fa4 h GLU 172 Cb 0.62 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 3fa4 h GLU 172 CO 0.04 0.20 -1.19 0.66 -1.18 0.00 0.00 179.01 177.54 3fa4 h SER 173 N 0.31 0.03 -0.27 1.04 4.64 -1.27 -1.02 113.55 117.00 3fa4 h SER 173 Ca 0.33 -0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.47 3fa4 h SER 173 Cb 0.48 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 3fa4 h SER 173 CO -0.39 1.03 -0.35 0.58 -0.87 0.00 0.00 176.83 176.83 3fa4 h VAL 174 N 0.01 1.28 -0.74 0.95 2.07 -1.40 -2.72 116.25 115.71 3fa4 h VAL 174 Ca -0.08 -1.52 0.07 0.00 0.82 0.00 0.00 66.70 65.99 3fa4 h VAL 174 Cb 1.84 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.93 3fa4 h VAL 174 CO 0.12 0.50 0.41 0.00 0.02 0.00 0.00 177.57 178.63 3fa4 h ALA 175 N 0.93 1.01 -0.51 1.67 0.00 -1.09 -1.78 119.26 119.50 3fa4 h ALA 175 Ca 0.06 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3fa4 h ALA 175 Cb 0.90 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3fa4 h ALA 175 CO 0.08 0.08 -0.15 0.00 0.00 0.00 0.00 179.25 179.27 3fa4 h ARG 176 N 0.74 0.98 -0.42 0.00 3.08 -1.20 -2.52 114.38 115.04 3fa4 h ARG 176 Ca 0.34 -0.38 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 3fa4 h ARG 176 Cb 0.24 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3fa4 h ARG 176 CO -0.21 1.05 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.50 3fa4 h LEU 177 N 0.86 0.80 -0.55 3.04 3.38 -1.31 -2.39 115.31 119.14 3fa4 h LEU 177 Ca 0.13 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 3fa4 h LEU 177 Cb 0.71 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3fa4 h LEU 177 CO 0.05 0.97 -0.41 0.03 0.09 0.00 0.00 178.44 179.17 3fa4 h ARG 178 N 0.70 0.70 -0.07 1.13 3.08 -1.21 0.25 114.38 118.96 3fa4 h ARG 178 Ca 0.11 -0.37 0.01 0.00 0.07 0.00 0.00 59.98 59.79 3fa4 h ARG 178 Cb 0.68 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3fa4 h ARG 178 CO 0.05 0.99 0.03 0.00 -1.07 0.00 0.00 179.97 179.96 3fa4 h ALA 179 N 0.96 0.08 -0.26 0.04 0.00 -1.44 0.77 119.26 119.42 3fa4 h ALA 179 Ca 0.05 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3fa4 h ALA 179 Cb 0.95 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3fa4 h ALA 179 CO 0.09 -0.44 -0.04 0.00 0.00 0.00 0.00 179.25 178.86 3fa4 h ALA 180 N 1.04 0.19 -0.45 0.00 0.00 -1.33 -2.09 119.26 116.62 3fa4 h ALA 180 Ca 0.03 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3fa4 h ALA 180 Cb 0.01 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 3fa4 h ALA 180 CO -0.03 -0.45 0.11 -0.09 0.00 0.00 0.00 179.25 178.79 3fa4 h ARG 181 N 0.03 0.25 0.00 0.00 2.43 -0.73 -2.02 114.38 114.34 3fa4 h ARG 181 Ca 0.12 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3fa4 h ARG 181 Cb 0.18 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3fa4 h ARG 181 CO -0.24 0.16 -0.09 -0.44 -1.51 0.00 0.00 179.97 177.85 3fa4 h ASP 182 N 0.25 0.00 -0.46 -3.80 3.32 -0.54 -0.90 116.42 114.29 3fa4 h ASP 182 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3fa4 h ASP 182 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3fa4 h ASP 182 CO -0.27 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.34 3fa4 n ALA 183 N -2.31 2.55 -0.20 3.45 0.00 -0.80 -4.93 120.51 118.28 3fa4 n ALA 183 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.53 3fa4 n ALA 183 Cb 0.19 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3fa4 n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 184 N 1.14 0.90 3.76 0.00 0.00 -0.34 -4.53 105.19 106.12 3fa4 n GLY 184 Ca 0.16 -0.00 -0.37 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 2.74 -0.10 4.61 0.00 -0.95 -4.93 121.76 121.14 3fa4 s ALA 185 Ca 0.00 1.08 0.13 0.00 0.00 0.00 0.00 51.96 53.18 3fa4 s ALA 185 Cb 0.00 -3.47 -0.24 0.00 0.00 0.00 0.00 23.12 19.42 3fa4 s ALA 185 CO 0.00 -1.08 0.46 -0.25 0.00 0.00 0.00 175.76 174.89 3fa4 n ASP 186 N -1.12 0.66 -3.80 0.00 8.00 0.13 -4.66 116.55 115.76 3fa4 n ASP 186 Ca 0.11 0.27 -0.13 0.00 0.71 0.00 0.00 54.79 55.76 3fa4 n ASP 186 Cb 0.48 0.23 -0.12 0.00 -0.02 0.00 0.00 41.12 41.69 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 -2.56 0.00 -0.03 2.53 1.01 -1.16 -4.33 120.40 115.86 3fa4 s VAL 187 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 3fa4 s VAL 187 Cb 0.07 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 3fa4 s VAL 187 CO 0.82 -0.01 0.09 -0.83 0.00 0.00 0.00 175.10 175.17 3fa4 s GLY 188 N 0.07 2.02 -0.34 4.51 0.00 -0.16 -0.45 107.32 112.97 3fa4 s GLY 188 Ca -0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 44.72 43.88 3fa4 s GLY 188 CO 0.00 -0.68 0.18 -0.12 0.00 0.00 0.00 173.10 172.48 3fa4 s PHE 189 N -1.15 0.95 -0.58 1.90 5.99 0.16 -1.15 117.98 124.10 3fa4 s PHE 189 Ca 0.21 -1.58 -0.22 0.00 0.00 0.00 0.00 56.93 55.34 3fa4 s PHE 189 Cb -0.12 -1.17 0.06 0.00 0.00 0.00 0.00 43.02 41.79 3fa4 s PHE 189 CO 0.12 -0.83 0.88 -1.17 -0.00 0.00 0.00 175.22 174.22 3fa4 s LEU 190 N 1.28 4.42 0.30 6.12 0.20 -1.26 -1.21 118.68 128.53 3fa4 s LEU 190 Ca 0.15 -0.72 -0.29 0.00 0.69 0.00 0.00 54.13 53.95 3fa4 s LEU 190 Cb -0.21 -2.59 -0.10 0.00 -0.43 0.00 0.00 46.19 42.86 3fa4 s LEU 190 CO -0.12 -1.23 1.20 -0.70 -0.29 0.00 0.00 176.35 175.21 3fa4 s GLU 191 N 3.68 4.50 0.00 1.98 2.56 -0.93 -4.11 118.70 126.38 3fa4 s GLU 191 Ca 0.24 2.00 0.00 0.00 0.00 0.00 0.00 54.97 57.21 3fa4 s GLU 191 Cb -0.16 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.83 3fa4 s GLU 191 CO 0.14 0.01 0.00 0.41 -0.56 0.00 0.00 175.26 175.26 3fa4 n GLY 192 N 1.08 0.51 2.26 -1.50 0.00 -1.26 -4.62 105.19 101.66 3fa4 n GLY 192 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.97 0.00 0.66 -0.61 5.41 -1.26 -4.45 119.36 116.14 3fa4 n ILE 193 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.85 3fa4 n ILE 193 Cb 0.00 -0.11 -0.13 0.00 -0.71 0.00 0.00 39.64 38.68 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 1.51 0.00 -3.60 1.39 -2.24 -1.26 -3.82 114.28 106.26 3fa4 n THR 194 Ca 0.15 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 3fa4 n THR 194 Cb 0.02 0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 68.87 3fa4 n THR 194 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3fa4 s SER 195 N -3.44 -0.40 0.34 3.42 1.04 -1.26 -4.42 113.70 108.98 3fa4 s SER 195 Ca 0.03 0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.64 3fa4 s SER 195 Cb 0.15 0.47 0.62 0.00 0.10 0.00 0.00 66.02 67.36 3fa4 s SER 195 CO 0.86 -0.70 1.88 0.03 0.98 0.00 0.00 173.24 176.29 3fa4 h ARG 196 N 2.86 0.51 0.27 4.02 3.08 -1.96 0.05 114.38 123.20 3fa4 h ARG 196 Ca -0.31 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 3fa4 h ARG 196 Cb 1.21 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3fa4 h ARG 196 CO 0.42 0.54 -0.13 1.49 -1.07 0.00 0.00 179.97 181.22 3fa4 h GLU 197 N 0.49 -0.34 -0.95 0.04 4.57 -1.99 -2.05 114.58 114.35 3fa4 h GLU 197 Ca 0.10 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.37 3fa4 h GLU 197 Cb 0.33 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.93 3fa4 h GLU 197 CO 0.01 -0.11 0.61 1.98 -1.18 0.00 0.00 179.01 180.32 3fa4 h MET 198 N -0.52 1.05 -0.33 1.92 4.05 -1.86 -0.68 114.93 118.55 3fa4 h MET 198 Ca -0.04 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 3fa4 h MET 198 Cb 0.39 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 3fa4 h MET 198 CO 0.06 0.70 0.20 0.00 0.23 0.00 0.00 176.91 178.09 3fa4 h ALA 199 N 1.49 0.43 0.00 0.39 0.00 -0.94 -1.05 119.26 119.57 3fa4 h ALA 199 Ca 0.41 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3fa4 h ALA 199 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3fa4 h ALA 199 CO -0.16 -0.07 -0.20 0.00 0.00 0.00 0.00 179.25 178.83 3fa4 h ARG 200 N 0.43 0.00 0.20 0.00 3.08 -0.82 -3.28 114.38 113.99 3fa4 h ARG 200 Ca 0.12 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.84 3fa4 h ARG 200 Cb 0.02 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.09 3fa4 h ARG 200 CO -0.02 0.20 -1.54 0.37 -1.07 0.00 0.00 179.97 177.90 3fa4 h GLN 201 N 0.00 0.43 0.00 0.04 -0.00 -0.86 -3.22 115.11 111.50 3fa4 h GLN 201 Ca -0.00 -0.73 -0.02 0.00 -0.00 0.00 0.00 58.65 57.89 3fa4 h GLN 201 Cb 0.40 0.27 -0.00 0.00 0.00 0.00 0.00 27.48 28.15 3fa4 h GLN 201 CO 0.03 1.34 -0.11 -0.24 0.00 0.00 0.00 178.83 179.84 3fa4 h VAL 202 N 0.12 0.69 -0.21 2.39 3.04 -1.26 -0.72 116.25 120.31 3fa4 h VAL 202 Ca -0.27 -0.44 -0.12 0.00 -1.01 0.00 0.00 66.70 64.85 3fa4 h VAL 202 Cb 2.11 1.27 -0.00 0.00 -2.01 0.00 0.00 31.29 32.66 3fa4 h VAL 202 CO 0.22 0.11 -0.35 0.40 -1.01 0.00 0.00 177.57 176.94 3fa4 h ILE 203 N 0.00 1.33 -0.09 3.17 2.04 -1.65 -2.43 117.51 119.88 3fa4 h ILE 203 Ca -0.00 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.28 3fa4 h ILE 203 Cb 0.26 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3fa4 h ILE 203 CO 0.01 0.49 0.02 1.56 0.00 0.00 0.00 178.15 180.23 3fa4 h GLN 204 N 0.30 0.15 0.00 2.37 4.20 -1.45 -1.96 115.11 118.71 3fa4 h GLN 204 Ca 0.02 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3fa4 h GLN 204 Cb 0.95 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 3fa4 h GLN 204 CO 0.08 0.35 -0.03 -0.44 -0.67 0.00 0.00 178.83 178.12 3fa4 h ASP 205 N -0.07 0.00 -0.37 1.46 5.19 -1.18 -1.53 116.42 119.92 3fa4 h ASP 205 Ca 0.03 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.23 3fa4 h ASP 205 Cb 0.27 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 39.65 3fa4 h ASP 205 CO 0.00 0.03 -0.15 0.18 -3.12 0.00 0.00 179.24 176.18 3fa4 n LEU 206 N -4.32 4.17 -4.71 1.55 4.77 -0.92 -5.07 117.00 112.47 3fa4 n LEU 206 Ca -0.03 -3.90 -0.43 0.00 -0.03 0.00 0.00 56.01 51.62 3fa4 n LEU 206 Cb 0.12 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 3fa4 n LEU 206 CO 0.33 1.36 1.25 0.00 -1.33 0.00 0.00 177.39 179.00 3fa4 n ALA 207 N -1.09 2.22 0.00 -1.18 0.00 -0.58 -2.21 120.51 117.67 3fa4 n ALA 207 Ca 0.34 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.18 3fa4 n ALA 207 Cb 0.99 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 3.11 2.90 3.52 0.00 0.00 -1.26 -5.09 105.19 108.37 3fa4 n GLY 208 Ca 0.14 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.44 3.12 0.21 1.61 -0.00 -0.94 -5.08 118.94 117.42 3fa4 s TRP 209 Ca 0.00 -0.22 -0.32 0.00 -0.00 0.00 0.00 56.10 55.55 3fa4 s TRP 209 Cb 0.00 -2.09 -0.13 0.00 -0.00 0.00 0.00 33.47 31.25 3fa4 s TRP 209 CO 0.00 -0.08 1.54 -2.30 -0.00 0.00 0.00 176.95 176.10 3fa4 n PRO 210 N 4.00 2.23 -4.39 5.86 -0.02 -1.26 -4.88 135.00 136.54 3fa4 n PRO 210 Ca -0.17 0.80 -0.21 0.00 -2.02 0.00 0.00 63.50 61.90 3fa4 n PRO 210 Cb 0.52 -2.54 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 3fa4 n PRO 210 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fa4 s LEU 211 N 0.50 2.54 -0.13 2.45 1.43 -1.26 -0.99 118.68 123.21 3fa4 s LEU 211 Ca 0.73 -0.99 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 3fa4 s LEU 211 Cb -0.63 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 44.74 3fa4 s LEU 211 CO 0.43 -0.06 -0.14 -0.22 0.23 0.00 0.00 176.35 176.59 3fa4 s LEU 212 N -3.24 1.62 -0.21 1.79 1.98 -0.30 -1.35 118.68 118.98 3fa4 s LEU 212 Ca 0.24 -0.44 -0.13 0.00 -2.89 0.00 0.00 54.13 50.91 3fa4 s LEU 212 Cb -0.03 -1.10 -0.04 0.00 0.66 0.00 0.00 46.19 45.67 3fa4 s LEU 212 CO 0.10 -0.04 0.28 -0.22 -1.89 0.00 0.00 176.35 174.57 3fa4 s LEU 213 N 1.36 4.15 -0.32 -0.68 2.96 0.15 -4.46 118.68 121.84 3fa4 s LEU 213 Ca 0.01 0.34 -0.21 0.00 -0.22 0.00 0.00 54.13 54.05 3fa4 s LEU 213 Cb -0.13 -2.31 -0.00 0.00 0.50 0.00 0.00 46.19 44.24 3fa4 s LEU 213 CO -0.07 0.02 0.67 0.21 -1.32 0.00 0.00 176.35 175.85 3fa4 s ASN 214 N 0.94 6.52 -0.73 3.68 2.47 -1.26 -1.53 114.94 125.03 3fa4 s ASN 214 Ca 0.14 0.43 -0.00 0.00 0.42 0.00 0.00 52.86 53.84 3fa4 s ASN 214 Cb -0.14 -2.35 0.18 0.00 -1.45 0.00 0.00 41.25 37.50 3fa4 s ASN 214 CO 0.05 -0.53 0.55 -0.32 -3.72 0.00 0.00 177.10 173.14 3fa4 s MET 215 N 2.71 2.75 -0.28 0.43 -2.45 -0.08 -4.86 119.30 117.51 3fa4 s MET 215 Ca 0.27 -2.96 -0.08 0.00 -1.25 0.00 0.00 55.69 51.66 3fa4 s MET 215 Cb -0.15 -3.72 -0.02 0.00 1.25 0.00 0.00 34.83 32.20 3fa4 s MET 215 CO 0.13 -1.22 0.11 0.08 1.05 0.00 0.00 175.02 175.16 3fa4 s VAL 216 N -0.80 4.41 0.59 10.11 1.01 -1.26 -4.23 120.40 130.23 3fa4 s VAL 216 Ca 0.22 -0.33 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 3fa4 s VAL 216 Cb -0.13 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 3fa4 s VAL 216 CO -0.09 0.20 1.02 -1.61 0.00 0.00 0.00 175.10 174.62 3fa4 s GLU 217 N 1.60 3.59 -0.74 2.72 2.02 -1.26 -3.99 118.70 122.64 3fa4 s GLU 217 Ca 0.05 0.92 0.00 0.00 0.02 0.00 0.00 54.97 55.96 3fa4 s GLU 217 Cb -0.16 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 31.99 3fa4 s GLU 217 CO 0.05 -0.57 0.00 0.72 0.02 0.00 0.00 175.26 175.47 3fa4 n HIS 218 N -2.28 0.00 -0.21 1.61 8.25 -1.26 -5.03 115.22 116.30 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 0.54 -1.73 0.00 0.00 1.12 0.00 0.00 29.99 29.92 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 -1.27 1.97 0.00 -1.41 0.00 -1.26 -4.98 105.19 98.25 3fa4 n GLY 219 Ca -0.07 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.28 3fa4 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa4 n ALA 220 N -3.00 2.08 -3.16 4.61 0.00 -1.26 -4.83 120.51 114.95 3fa4 n ALA 220 Ca 0.00 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 3fa4 n ALA 220 Cb 0.00 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 17.95 3fa4 n ALA 220 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fa4 s THR 221 N -2.89 3.62 0.58 0.00 2.01 -1.25 -4.03 115.64 113.67 3fa4 s THR 221 Ca 0.14 -0.44 -0.19 0.00 0.31 0.00 0.00 61.69 61.51 3fa4 s THR 221 Cb 0.15 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.00 3fa4 s THR 221 CO 0.40 0.46 1.05 -0.81 -0.69 0.00 0.00 174.62 175.03 3fa4 n PRO 222 N 4.06 1.07 -1.53 4.92 -0.04 -1.26 -4.63 135.00 137.59 3fa4 n PRO 222 Ca -0.18 0.41 -0.43 0.00 -0.04 0.00 0.00 63.50 63.25 3fa4 n PRO 222 Cb 0.52 -2.24 -0.05 0.00 -0.04 0.00 0.00 33.50 31.69 3fa4 n PRO 222 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3fa4 n SER 223 N -0.75 2.39 -3.81 3.54 7.64 -1.26 -4.95 113.62 116.42 3fa4 n SER 223 Ca 0.13 0.07 -0.29 0.00 1.01 0.00 0.00 58.87 59.79 3fa4 n SER 223 Cb 0.46 -1.42 -0.16 0.00 -1.01 0.00 0.00 64.21 62.08 3fa4 n SER 223 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3fa4 s ILE 224 N 9.15 0.89 0.95 0.44 1.01 -1.26 -5.13 121.20 127.25 3fa4 s ILE 224 Ca 1.06 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 60.76 3fa4 s ILE 224 Cb -0.53 -1.33 0.16 0.00 0.01 0.00 0.00 42.46 40.76 3fa4 s ILE 224 CO 0.38 -0.20 1.11 -0.94 0.00 0.00 0.00 174.94 175.29 3fa4 s SER 225 N 1.68 2.72 0.30 3.58 1.04 -1.26 -4.77 113.70 116.99 3fa4 s SER 225 Ca -0.02 1.96 0.05 0.00 0.48 0.00 0.00 55.95 58.42 3fa4 s SER 225 Cb -0.18 -2.48 0.78 0.00 0.10 0.00 0.00 66.02 64.24 3fa4 s SER 225 CO -0.08 -3.19 1.67 0.00 0.98 0.00 0.00 173.24 172.62 3fa4 h ALA 226 N -1.93 1.45 -0.21 5.32 0.00 -1.99 -1.06 119.26 120.83 3fa4 h ALA 226 Ca -0.47 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 3fa4 h ALA 226 Cb 1.28 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3fa4 h ALA 226 CO 0.45 -0.43 -0.35 0.00 0.00 0.00 0.00 179.25 178.92 3fa4 h ALA 227 N 1.76 1.00 -0.16 0.00 0.00 -2.00 -2.09 119.26 117.78 3fa4 h ALA 227 Ca 0.58 -0.40 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 3fa4 h ALA 227 Cb 1.18 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.87 3fa4 h ALA 227 CO -0.60 0.60 -0.75 1.49 0.00 0.00 0.00 179.25 180.00 3fa4 h GLU 228 N 0.39 0.75 -0.62 0.00 4.81 -1.82 -2.46 114.58 115.63 3fa4 h GLU 228 Ca 0.04 -0.59 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 3fa4 h GLU 228 Cb 0.80 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 3fa4 h GLU 228 CO 0.06 1.21 0.29 0.00 -0.73 0.00 0.00 179.01 179.84 3fa4 h ALA 229 N 0.63 0.80 -0.73 2.92 0.00 -1.10 0.83 119.26 122.60 3fa4 h ALA 229 Ca -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3fa4 h ALA 229 Cb 1.37 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3fa4 h ALA 229 CO 0.15 0.36 0.41 -0.22 0.00 0.00 0.00 179.25 179.95 3fa4 h LYS 230 N 0.85 1.02 -0.50 0.00 3.64 -1.39 -1.93 116.57 118.26 3fa4 h LYS 230 Ca 0.21 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3fa4 h LYS 230 Cb 0.12 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3fa4 h LYS 230 CO -0.03 0.75 0.25 0.93 -2.27 0.00 0.00 179.45 179.09 3fa4 h GLU 231 N 1.01 0.70 -0.98 1.90 4.39 -1.03 -2.70 114.58 117.88 3fa4 h GLU 231 Ca 0.26 -0.09 0.20 0.00 0.34 0.00 0.00 59.36 60.06 3fa4 h GLU 231 Cb 0.03 -0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 28.44 3fa4 h GLU 231 CO -0.04 0.57 0.57 0.52 -1.16 0.00 0.00 179.01 179.47 3fa4 h MET 232 N 0.66 0.67 0.00 2.33 2.86 -0.72 -3.46 114.93 117.26 3fa4 h MET 232 Ca 0.17 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3fa4 h MET 232 Cb 0.09 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3fa4 h MET 232 CO -0.02 0.44 0.00 0.41 1.06 0.00 0.00 176.91 178.80 3fa4 n GLY 233 N -1.32 1.09 3.69 8.32 0.00 -1.02 -4.87 105.19 111.08 3fa4 n GLY 233 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 3fa4 n GLY 233 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fa4 n PHE 234 N 0.00 1.78 0.31 1.61 3.01 -0.75 -4.72 117.46 118.70 3fa4 n PHE 234 Ca 0.00 0.45 0.10 0.00 1.01 0.00 0.00 57.45 59.00 3fa4 n PHE 234 Cb 0.00 -2.29 -0.14 0.00 -0.01 0.00 0.00 39.48 37.05 3fa4 n PHE 234 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3fa4 n ARG 235 N -0.90 0.64 -3.81 -1.08 5.12 -0.45 -4.54 116.66 111.63 3fa4 n ARG 235 Ca 0.11 -0.12 -0.12 0.00 -1.93 0.00 0.00 57.85 55.79 3fa4 n ARG 235 Cb 0.45 -1.44 -0.12 0.00 -1.16 0.00 0.00 32.46 30.19 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 -3.16 0.02 -0.03 0.55 1.01 -1.15 -1.23 121.20 117.22 3fa4 s ILE 236 Ca -0.02 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.53 3fa4 s ILE 236 Cb 0.13 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.29 3fa4 s ILE 236 CO 0.80 -0.07 -0.10 -0.51 0.00 0.00 0.00 174.94 175.06 3fa4 s ILE 237 N -0.19 0.87 0.19 2.92 2.07 -0.12 -0.68 121.20 126.26 3fa4 s ILE 237 Ca -0.03 -0.41 0.10 0.00 -1.41 0.00 0.00 60.65 58.90 3fa4 s ILE 237 Cb -0.03 -0.77 -0.04 0.00 0.13 0.00 0.00 42.46 41.75 3fa4 s ILE 237 CO 0.01 0.27 -0.18 0.27 -1.91 0.00 0.00 174.94 173.39 3fa4 s ILE 238 N 0.16 2.70 -0.51 2.00 -4.36 -0.58 -0.96 121.20 119.65 3fa4 s ILE 238 Ca -0.03 -1.87 0.05 0.00 -0.26 0.00 0.00 60.65 58.54 3fa4 s ILE 238 Cb -0.09 -2.31 0.19 0.00 1.25 0.00 0.00 42.46 41.50 3fa4 s ILE 238 CO 0.01 -0.11 0.45 0.49 0.24 0.00 0.00 174.94 176.02 3fa4 n PHE 239 N 0.19 0.70 -0.11 1.37 3.01 -0.70 -0.90 117.46 121.01 3fa4 n PHE 239 Ca -0.12 -3.69 0.14 0.00 1.01 0.00 0.00 57.45 54.79 3fa4 n PHE 239 Cb 0.56 -0.14 0.52 0.00 -0.01 0.00 0.00 39.48 40.40 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 5.18 0.36 -0.69 -1.08 0.11 -1.85 0.24 132.00 134.27 3fa4 h PRO 240 Ca 0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3fa4 h PRO 240 Cb 0.84 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3fa4 h PRO 240 CO 0.52 0.24 0.00 0.34 -0.21 0.00 0.00 178.00 178.89 3fa4 n PHE 241 N -4.46 1.09 0.01 0.65 7.35 -1.26 -4.38 117.46 116.46 3fa4 n PHE 241 Ca 0.12 -0.50 -0.05 0.00 -0.76 0.00 0.00 57.45 56.25 3fa4 n PHE 241 Cb 0.46 -0.08 0.16 0.00 0.35 0.00 0.00 39.48 40.37 3fa4 n PHE 241 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3fa4 h ALA 242 N 4.22 0.98 0.06 3.13 0.00 -1.66 -2.18 119.26 123.80 3fa4 h ALA 242 Ca 0.00 -0.40 -0.38 0.00 0.00 0.00 0.00 54.91 54.13 3fa4 h ALA 242 Cb 1.08 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3fa4 h ALA 242 CO 0.07 0.61 -2.22 0.00 0.00 0.00 0.00 179.25 177.70 3fa4 n ALA 243 N -2.49 1.15 0.07 0.00 0.00 -1.22 -4.51 120.51 113.51 3fa4 n ALA 243 Ca -0.01 -0.85 -0.12 0.00 0.00 0.00 0.00 53.44 52.45 3fa4 n ALA 243 Cb 0.47 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.04 -0.08 -0.14 0.00 3.38 -1.82 -2.62 115.31 113.99 3fa4 h LEU 244 Ca -0.51 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.48 3fa4 h LEU 244 Cb 1.93 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.68 3fa4 h LEU 244 CO -0.03 -0.05 -0.08 0.61 0.09 0.00 0.00 178.44 178.98 3fa4 n GLY 245 N -1.13 -2.13 0.13 0.83 0.00 -0.82 -1.19 105.19 100.88 3fa4 n GLY 245 Ca -0.07 0.50 0.02 0.00 0.00 0.00 0.00 46.02 46.47 3fa4 n GLY 245 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fa4 h PRO 246 N 0.00 0.00 0.17 1.61 0.11 -1.78 -2.95 132.00 129.16 3fa4 h PRO 246 Ca 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 3fa4 h PRO 246 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 3fa4 h PRO 246 CO -0.13 0.48 -0.08 0.00 -0.21 0.00 0.00 178.00 178.05 3fa4 h ALA 247 N 1.49 -0.23 -0.22 -0.75 0.00 -1.38 -2.31 119.26 115.86 3fa4 h ALA 247 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fa4 h ALA 247 Cb 1.41 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3fa4 h ALA 247 CO 0.06 -0.63 0.15 0.28 0.00 0.00 0.00 179.25 179.11 3fa4 h VAL 248 N -0.23 1.07 0.28 0.00 2.07 -1.05 -2.05 116.25 116.34 3fa4 h VAL 248 Ca -0.02 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3fa4 h VAL 248 Cb 0.17 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3fa4 h VAL 248 CO 0.04 0.06 -0.24 0.00 0.02 0.00 0.00 177.57 177.46 3fa4 h ALA 249 N 1.07 -0.52 -0.69 1.67 0.00 -1.59 -0.01 119.26 119.19 3fa4 h ALA 249 Ca 0.08 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3fa4 h ALA 249 Cb -0.02 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 3fa4 h ALA 249 CO -0.02 -0.82 0.28 0.00 0.00 0.00 0.00 179.25 178.70 3fa4 h ALA 250 N 0.12 0.94 -0.44 0.00 0.00 -1.42 -1.96 119.26 116.50 3fa4 h ALA 250 Ca -0.02 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3fa4 h ALA 250 Cb 0.48 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3fa4 h ALA 250 CO -0.02 -0.17 -0.25 0.52 0.00 0.00 0.00 179.25 179.32 3fa4 h MET 251 N 0.46 0.92 0.15 0.00 2.86 -1.26 -1.44 114.93 116.61 3fa4 h MET 251 Ca 0.36 -0.40 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3fa4 h MET 251 Cb 0.48 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 3fa4 h MET 251 CO -0.34 1.06 -0.18 -0.09 1.06 0.00 0.00 176.91 178.41 3fa4 h ARG 252 N 0.79 -0.37 -0.45 1.72 2.43 -0.71 -0.36 114.38 117.44 3fa4 h ARG 252 Ca 0.10 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3fa4 h ARG 252 Cb 0.81 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 3fa4 h ARG 252 CO 0.07 -0.24 0.04 0.93 -1.51 0.00 0.00 179.97 179.25 3fa4 h GLU 253 N -0.38 0.76 -0.28 0.20 5.08 -1.36 -1.08 114.58 117.52 3fa4 h GLU 253 Ca 0.01 -0.22 0.05 0.00 -1.00 0.00 0.00 59.36 58.19 3fa4 h GLU 253 Cb 0.37 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3fa4 h GLU 253 CO -0.07 0.81 0.02 0.00 -1.00 0.00 0.00 179.01 178.76 3fa4 h ALA 254 N 0.93 0.26 -0.27 3.43 0.00 -1.29 0.05 119.26 122.37 3fa4 h ALA 254 Ca 0.13 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3fa4 h ALA 254 Cb 0.44 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3fa4 h ALA 254 CO 0.02 -0.40 0.14 0.52 0.00 0.00 0.00 179.25 179.53 3fa4 h MET 255 N 0.11 0.38 -0.96 0.00 2.86 -0.84 -0.02 114.93 116.45 3fa4 h MET 255 Ca 0.13 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3fa4 h MET 255 Cb 0.16 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.70 3fa4 h MET 255 CO -0.21 0.35 0.63 0.93 1.06 0.00 0.00 176.91 179.67 3fa4 h GLU 256 N 0.32 1.24 -0.63 1.72 5.08 -1.10 -0.19 114.58 121.02 3fa4 h GLU 256 Ca 0.09 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3fa4 h GLU 256 Cb 0.08 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3fa4 h GLU 256 CO -0.01 0.82 0.41 -0.22 -1.00 0.00 0.00 179.01 179.00 3fa4 h LYS 257 N 1.28 0.80 0.00 2.33 3.64 -0.63 -2.89 116.57 121.09 3fa4 h LYS 257 Ca 0.36 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.60 3fa4 h LYS 257 Cb -0.11 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.51 3fa4 h LYS 257 CO -0.09 0.53 -0.45 1.25 -2.27 0.00 0.00 179.45 178.42 3fa4 h LEU 258 N 0.82 0.00 -0.67 5.20 5.85 -0.13 -1.70 115.31 124.68 3fa4 h LEU 258 Ca 0.24 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.86 3fa4 h LEU 258 Cb -0.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3fa4 h LEU 258 CO -0.07 0.45 -0.04 0.50 -0.34 0.00 0.00 178.44 178.95 3fa4 h LYS 259 N 0.00 0.99 0.00 1.25 1.63 -0.87 -1.04 116.57 118.54 3fa4 h LYS 259 Ca -0.00 -0.32 -0.15 0.00 -0.85 0.00 0.00 60.65 59.32 3fa4 h LYS 259 Cb 0.81 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.33 3fa4 h LYS 259 CO 0.06 1.00 -1.74 2.89 -3.45 0.00 0.00 179.45 178.21 3fa4 n ARG 260 N -4.17 0.64 -0.04 1.90 1.85 -1.12 -4.52 116.66 111.21 3fa4 n ARG 260 Ca 0.02 0.05 -0.22 0.00 -1.00 0.00 0.00 57.85 56.71 3fa4 n ARG 260 Cb 0.36 -1.67 -0.13 0.00 -1.05 0.00 0.00 32.46 29.97 3fa4 n ARG 260 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3fa4 h ASP 261 N 0.00 0.25 0.00 2.89 5.19 -1.39 -3.49 116.42 119.87 3fa4 h ASP 261 Ca -0.19 -0.77 0.00 0.00 -0.62 0.00 0.00 57.03 55.46 3fa4 h ASP 261 Cb 1.52 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.95 3fa4 h ASP 261 CO 0.03 1.67 0.00 0.61 -3.12 0.00 0.00 179.24 178.43 3fa4 n GLY 262 N 1.73 0.83 3.65 2.75 0.00 -0.39 -5.03 105.19 108.72 3fa4 n GLY 262 Ca -0.31 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 0.36 -0.61 1.10 -1.26 -5.08 121.20 113.71 3fa4 s ILE 263 Ca 0.00 0.00 0.05 0.00 -0.51 0.00 0.00 60.65 60.19 3fa4 s ILE 263 Cb 0.00 -1.00 0.29 0.00 0.15 0.00 0.00 42.46 41.90 3fa4 s ILE 263 CO 0.00 0.00 1.97 -0.65 -2.11 0.00 0.00 174.94 174.15 3fa4 h PRO 264 N 5.05 0.76 -3.75 3.50 0.11 -1.92 -3.42 132.00 132.33 3fa4 h PRO 264 Ca -0.27 -0.05 -0.31 0.00 0.11 0.00 0.00 66.00 65.48 3fa4 h PRO 264 Cb 1.17 -0.17 0.06 0.00 0.11 0.00 0.00 31.00 32.17 3fa4 h PRO 264 CO 0.21 0.50 -0.48 0.41 -0.21 0.00 0.00 178.00 178.43 3fa4 n GLY 265 N -1.45 -0.24 3.57 -0.55 0.00 -1.26 -4.62 105.19 100.64 3fa4 n GLY 265 Ca 0.10 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.38 0.96 0.07 0.99 1.02 -1.26 -4.97 118.68 110.12 3fa4 s LEU 266 Ca 0.27 1.17 -0.22 0.00 0.02 0.00 0.00 54.13 55.38 3fa4 s LEU 266 Cb -0.12 -3.13 -0.07 0.00 0.02 0.00 0.00 46.19 42.89 3fa4 s LEU 266 CO 0.33 -3.82 0.65 -0.62 0.02 0.00 0.00 176.35 172.91 3fa4 s ASP 267 N -3.18 7.14 0.00 2.29 -1.08 -1.26 -4.92 116.67 115.66 3fa4 s ASP 267 Ca 0.67 1.35 0.00 0.00 -0.52 0.00 0.00 52.55 54.05 3fa4 s ASP 267 Cb -0.19 -2.41 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 3fa4 s ASP 267 CO 0.60 0.19 0.44 1.17 0.52 0.00 0.00 175.17 178.09 3fa4 n LYS 268 N 2.04 0.00 -0.02 4.34 3.00 -1.26 -0.17 118.16 126.08 3fa4 n LYS 268 Ca -0.08 0.09 0.07 0.00 -0.00 0.00 0.00 58.31 58.40 3fa4 n LYS 268 Cb 0.50 -1.58 -0.16 0.00 0.00 0.00 0.00 35.03 33.79 3fa4 n LYS 268 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3fa4 n GLU 269 N -0.94 0.66 -2.89 1.64 4.07 -1.26 -4.75 120.64 117.17 3fa4 n GLU 269 Ca 0.00 -0.16 -0.44 0.00 -0.06 0.00 0.00 57.16 56.51 3fa4 n GLU 269 Cb 0.08 -1.53 -0.02 0.00 -0.06 0.00 0.00 31.44 29.92 3fa4 n GLU 269 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 3fa4 s MET 270 N -3.33 3.77 0.00 5.31 -1.94 0.76 -4.78 119.30 119.10 3fa4 s MET 270 Ca -0.08 -1.99 0.04 0.00 -1.71 0.00 0.00 55.69 51.95 3fa4 s MET 270 Cb 0.12 -5.02 -0.01 0.00 2.01 0.00 0.00 34.83 31.93 3fa4 s MET 270 CO 0.89 -1.82 -0.13 -0.08 -0.01 0.00 0.00 175.02 173.87 3fa4 s THR 271 N 2.56 1.00 0.48 2.05 -1.32 -1.26 -4.82 115.64 114.32 3fa4 s THR 271 Ca 0.38 -0.66 0.22 0.00 -1.21 0.00 0.00 61.69 60.42 3fa4 s THR 271 Cb -0.03 -0.86 0.40 0.00 -1.51 0.00 0.00 72.50 70.50 3fa4 s THR 271 CO -0.06 0.19 1.92 -0.65 -2.21 0.00 0.00 174.62 173.82 3fa4 h PRO 272 N 5.58 0.21 0.00 7.08 0.11 -2.00 -0.70 132.00 142.28 3fa4 h PRO 272 Ca -0.34 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 3fa4 h PRO 272 Cb 1.17 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3fa4 h PRO 272 CO 0.48 0.14 -0.45 0.37 -0.21 0.00 0.00 178.00 178.32 3fa4 h GLN 273 N 0.22 0.00 -0.26 1.05 5.75 -1.97 -2.34 115.11 117.56 3fa4 h GLN 273 Ca 0.37 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.82 3fa4 h GLN 273 Cb 1.15 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 3fa4 h GLN 273 CO -0.08 0.45 -0.05 1.98 -2.65 0.00 0.00 178.83 178.49 3fa4 h MET 274 N 0.00 0.50 -0.52 1.69 4.05 -1.45 -2.84 114.93 116.37 3fa4 h MET 274 Ca -0.00 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 3fa4 h MET 274 Cb 0.81 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.55 3fa4 h MET 274 CO 0.06 0.70 0.34 1.25 0.23 0.00 0.00 176.91 179.49 3fa4 h LEU 275 N 0.25 0.60 -0.91 3.39 5.85 -1.27 0.94 115.31 124.16 3fa4 h LEU 275 Ca 0.07 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3fa4 h LEU 275 Cb 0.51 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3fa4 h LEU 275 CO 0.02 0.43 0.33 -0.26 -0.34 0.00 0.00 178.44 178.63 3fa4 h PHE 276 N 0.70 1.13 -0.18 1.25 0.05 -1.46 0.12 116.94 118.55 3fa4 h PHE 276 Ca 0.19 -0.07 -0.18 0.00 3.82 0.00 0.00 57.97 61.73 3fa4 h PHE 276 Cb -0.08 -0.35 -0.00 0.00 2.00 0.00 0.00 35.95 37.52 3fa4 h PHE 276 CO -0.04 0.84 -0.62 -0.09 -0.18 0.00 0.00 178.31 178.22 3fa4 h ARG 277 N 1.11 0.64 -0.19 1.51 2.43 -1.17 -1.25 114.38 117.45 3fa4 h ARG 277 Ca 0.26 -0.44 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 3fa4 h ARG 277 Cb 0.17 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3fa4 h ARG 277 CO -0.03 1.06 0.03 0.28 -1.51 0.00 0.00 179.97 179.81 3fa4 h VAL 278 N 0.47 1.11 -0.71 0.20 2.07 -0.31 -3.03 116.25 116.05 3fa4 h VAL 278 Ca -0.01 -0.38 -0.32 0.00 0.82 0.00 0.00 66.70 66.81 3fa4 h VAL 278 Cb 1.20 0.93 -0.19 0.00 -1.52 0.00 0.00 31.29 31.71 3fa4 h VAL 278 CO 0.12 0.13 0.40 0.00 0.02 0.00 0.00 177.57 178.25 3fa4 n GLY 280 N -0.50 0.09 0.32 0.00 0.00 -1.14 -4.94 105.19 99.01 3fa4 n GLY 280 Ca 0.41 -0.26 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.97 0.72 -0.66 0.99 5.85 -1.42 -2.62 115.31 117.20 3fa4 h LEU 281 Ca -0.29 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.23 3fa4 h LEU 281 Cb 1.19 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3fa4 h LEU 281 CO 0.30 0.62 -0.43 0.44 -0.34 0.00 0.00 178.44 179.02 3fa4 h ASP 282 N 0.80 0.58 0.32 1.25 3.45 -1.88 -0.74 116.42 120.20 3fa4 h ASP 282 Ca 0.20 -0.27 -0.14 0.00 0.43 0.00 0.00 57.03 57.25 3fa4 h ASP 282 Cb 0.09 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.68 3fa4 h ASP 282 CO -0.03 0.94 -0.57 -0.08 -1.57 0.00 0.00 179.24 177.93 3fa4 h GLU 283 N 0.44 0.26 -0.49 3.56 4.57 -1.94 -2.02 114.58 118.97 3fa4 h GLU 283 Ca 0.03 -0.17 -0.06 0.00 -1.18 0.00 0.00 59.36 57.99 3fa4 h GLU 283 Cb 0.94 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 3fa4 h GLU 283 CO 0.08 0.76 0.07 0.77 -1.18 0.00 0.00 179.01 179.52 3fa4 h SER 284 N 0.20 0.72 0.40 1.04 0.02 -1.20 -2.02 113.55 112.71 3fa4 h SER 284 Ca -0.00 -0.14 -0.13 0.00 -0.84 0.00 0.00 61.79 60.67 3fa4 h SER 284 Cb 1.07 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 3fa4 h SER 284 CO 0.09 0.74 -0.57 -0.03 -1.14 0.00 0.00 176.83 175.92 3fa4 h MET 285 N 0.73 0.17 -0.13 3.45 1.85 -1.01 -2.91 114.93 117.08 3fa4 h MET 285 Ca 0.16 -0.11 -0.02 0.00 -0.61 0.00 0.00 59.70 59.11 3fa4 h MET 285 Cb 0.34 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.38 3fa4 h MET 285 CO 0.01 0.70 0.01 -0.22 -0.40 0.00 0.00 176.91 177.01 3fa4 h LYS 286 N 0.13 0.23 -0.55 0.39 3.64 -1.14 -1.76 116.57 117.52 3fa4 h LYS 286 Ca -0.00 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.38 3fa4 h LYS 286 Cb 1.05 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.78 3fa4 h LYS 286 CO 0.08 0.44 0.22 0.28 -2.27 0.00 0.00 179.45 178.20 3fa4 h VAL 287 N -0.02 0.83 0.34 2.00 2.07 -1.41 0.12 116.25 120.19 3fa4 h VAL 287 Ca 0.04 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3fa4 h VAL 287 Cb 0.33 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3fa4 h VAL 287 CO 0.00 0.07 -0.16 -0.78 0.02 0.00 0.00 177.57 176.73 3fa4 h ASP 288 N 0.41 -0.39 -0.69 0.57 -0.00 -1.51 -2.00 116.42 112.81 3fa4 h ASP 288 Ca 0.26 -0.04 0.03 0.00 -0.00 0.00 0.00 57.03 57.29 3fa4 h ASP 288 Cb 0.28 0.10 -0.04 0.00 -0.00 0.00 0.00 39.33 39.67 3fa4 h ASP 288 CO -0.25 -0.21 0.45 0.00 -0.00 0.00 0.00 179.24 179.23 3fa4 h ALA 289 N 0.10 1.61 -0.58 -0.78 0.00 -0.99 -2.71 119.26 115.92 3fa4 h ALA 289 Ca -0.05 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3fa4 h ALA 289 Cb 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3fa4 h ALA 289 CO 0.08 0.32 -0.05 1.96 0.00 0.00 0.00 179.25 181.56 3fa4 h GLN 290 N 0.83 1.05 0.00 0.00 4.20 -0.78 -2.38 115.11 118.03 3fa4 h GLN 290 Ca 0.27 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3fa4 h GLN 290 Cb 0.06 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3fa4 h GLN 290 CO -0.08 1.06 0.00 0.00 -0.67 0.00 0.00 178.83 179.14 3fa4 n ALA 291 N -2.49 1.40 0.50 3.87 0.00 -0.77 -3.27 120.51 119.75 3fa4 n ALA 291 Ca 0.02 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.72 3fa4 n ALA 291 Cb 0.38 -1.37 0.08 0.00 0.00 0.00 0.00 19.45 18.54 3fa4 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 292 N -0.55 -1.33 0.00 0.00 0.00 -0.90 -5.10 105.19 97.30 3fa4 n GLY 292 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3fa4 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93