#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa3 s VAL 4 N 0.00 0.02 0.40 2.03 0.11 -1.26 -5.18 120.40 116.52 3fa3 s VAL 4 Ca 0.00 -0.17 0.08 0.00 -2.93 0.00 0.00 61.98 58.96 3fa3 s VAL 4 Cb 0.00 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 3fa3 s VAL 4 CO 0.00 -0.09 0.46 0.28 -3.33 0.00 0.00 175.10 172.41 3fa3 s THR 5 N -0.90 3.01 -1.16 5.04 -1.32 -1.26 -4.99 115.64 114.05 3fa3 s THR 5 Ca -0.09 -1.18 0.27 0.00 -1.21 0.00 0.00 61.69 59.48 3fa3 s THR 5 Cb -0.03 -3.05 0.32 0.00 -1.51 0.00 0.00 72.50 68.23 3fa3 s THR 5 CO 0.06 -0.03 1.90 0.00 -2.21 0.00 0.00 174.62 174.34 3fa3 n ALA 6 N -1.66 2.29 0.21 11.08 0.00 -1.25 -2.96 120.51 128.21 3fa3 n ALA 6 Ca 0.05 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.46 3fa3 n ALA 6 Cb 0.60 -1.44 0.41 0.00 0.00 0.00 0.00 19.45 19.02 3fa3 n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 h ALA 7 N 3.08 1.03 0.04 0.00 0.00 -1.80 1.00 119.26 122.61 3fa3 h ALA 7 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3fa3 h ALA 7 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3fa3 h ALA 7 CO 0.00 0.37 -0.02 1.15 0.00 0.00 0.00 179.25 180.74 3fa3 h THR 8 N 0.00 0.00 -0.34 0.00 2.02 -1.74 -1.07 112.91 111.78 3fa3 h THR 8 Ca -0.00 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.20 3fa3 h THR 8 Cb 0.79 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 3fa3 h THR 8 CO 0.04 0.00 -0.19 -1.20 0.37 0.00 0.00 175.52 174.53 3fa3 n SER 9 N -2.18 -0.35 -0.19 4.18 7.64 -1.07 -0.65 113.62 121.00 3fa3 n SER 9 Ca -0.01 0.60 -0.07 0.00 1.01 0.00 0.00 58.87 60.40 3fa3 n SER 9 Cb 0.02 -0.08 0.02 0.00 -1.01 0.00 0.00 64.21 63.17 3fa3 n SER 9 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3fa3 h LEU 10 N 0.00 0.66 -0.31 -3.43 5.85 -0.83 -3.01 115.31 114.24 3fa3 h LEU 10 Ca 0.06 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3fa3 h LEU 10 Cb 0.14 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3fa3 h LEU 10 CO -0.32 0.55 0.20 -0.09 -0.34 0.00 0.00 178.44 178.44 3fa3 h ARG 11 N 0.72 0.41 0.00 1.25 2.43 0.49 0.19 114.38 119.87 3fa3 h ARG 11 Ca 0.19 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 3fa3 h ARG 11 Cb 0.02 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3fa3 h ARG 11 CO -0.03 0.29 -0.41 0.00 -1.51 0.00 0.00 179.97 178.31 3fa3 h ARG 12 N 0.41 0.00 0.04 0.20 -0.00 -1.45 -1.18 114.38 112.41 3fa3 h ARG 12 Ca 0.11 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.53 3fa3 h ARG 12 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.95 3fa3 h ARG 12 CO -0.02 0.41 -0.31 0.00 0.00 0.00 0.00 179.97 180.05 3fa3 h ALA 13 N 1.59 -0.01 -1.04 0.04 0.00 -1.35 -2.56 119.26 115.93 3fa3 h ALA 13 Ca -0.00 -0.60 0.30 0.00 0.00 0.00 0.00 54.91 54.61 3fa3 h ALA 13 Cb 0.77 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.50 3fa3 h ALA 13 CO 0.05 0.15 0.63 -0.07 0.00 0.00 0.00 179.25 180.01 3fa3 h LEU 14 N -0.82 0.52 0.00 0.00 3.38 -0.97 -0.71 115.31 116.72 3fa3 h LEU 14 Ca -0.06 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3fa3 h LEU 14 Cb 1.20 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3fa3 h LEU 14 CO 0.03 -0.02 0.00 -0.62 0.09 0.00 0.00 178.44 177.92 3fa3 n GLU 15 N -4.88 0.00 -4.08 1.13 1.02 -0.45 -4.62 120.64 108.77 3fa3 n GLU 15 Ca 0.30 0.47 -0.32 0.00 -0.02 0.00 0.00 57.16 57.59 3fa3 n GLU 15 Cb 0.94 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.70 3fa3 n GLU 15 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3fa3 s ASN 16 N -2.94 3.77 0.57 1.62 2.47 -0.27 -5.03 114.94 115.11 3fa3 s ASN 16 Ca 0.00 -1.03 0.30 0.00 0.42 0.00 0.00 52.86 52.56 3fa3 s ASN 16 Cb 0.00 -1.47 1.45 0.00 -1.45 0.00 0.00 41.25 39.78 3fa3 s ASN 16 CO 0.00 -0.11 1.85 -0.65 -3.72 0.00 0.00 177.10 174.47 3fa3 h PRO 17 N 7.87 0.00 -0.31 0.43 0.11 -1.83 -1.36 132.00 136.91 3fa3 h PRO 17 Ca -0.31 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.65 3fa3 h PRO 17 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3fa3 h PRO 17 CO 0.53 0.00 -0.43 -0.44 -0.21 0.00 0.00 178.00 177.45 3fa3 h ASP 18 N 0.00 0.84 -3.88 -2.05 5.19 -1.96 -3.46 116.42 111.10 3fa3 h ASP 18 Ca 0.33 -0.40 -0.56 0.00 -0.62 0.00 0.00 57.03 55.79 3fa3 h ASP 18 Cb 1.55 -0.24 0.14 0.00 0.18 0.00 0.00 39.33 40.97 3fa3 h ASP 18 CO -0.00 1.15 0.49 -1.20 -3.12 0.00 0.00 179.24 176.56 3fa3 n SER 19 N -4.03 2.26 -3.66 6.45 7.64 -0.51 -5.04 113.62 116.72 3fa3 n SER 19 Ca -0.02 0.95 -0.09 0.00 1.01 0.00 0.00 58.87 60.72 3fa3 n SER 19 Cb 0.55 -1.53 -0.10 0.00 -1.01 0.00 0.00 64.21 62.13 3fa3 n SER 19 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3fa3 s PHE 20 N -1.32 -0.77 -0.29 1.43 5.36 -1.26 -4.88 117.98 116.25 3fa3 s PHE 20 Ca 0.72 1.49 -0.17 0.00 -0.96 0.00 0.00 56.93 58.00 3fa3 s PHE 20 Cb -0.43 0.28 -0.02 0.00 -0.34 0.00 0.00 43.02 42.52 3fa3 s PHE 20 CO 0.49 -0.47 0.49 0.42 -1.46 0.00 0.00 175.22 174.69 3fa3 s ILE 21 N 2.56 5.07 -0.29 3.12 1.09 0.22 -4.98 121.20 128.00 3fa3 s ILE 21 Ca -0.02 0.63 -0.10 0.00 -1.10 0.00 0.00 60.65 60.06 3fa3 s ILE 21 Cb -0.12 -3.85 -0.04 0.00 -1.06 0.00 0.00 42.46 37.40 3fa3 s ILE 21 CO -0.13 -0.01 0.17 -0.69 -0.10 0.00 0.00 174.94 174.19 3fa3 s VAL 22 N 2.30 5.04 -0.29 2.92 1.01 -1.26 -1.03 120.40 129.08 3fa3 s VAL 22 Ca 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 3fa3 s VAL 22 Cb -0.16 -3.44 0.10 0.00 0.00 0.00 0.00 36.38 32.88 3fa3 s VAL 22 CO 0.11 0.20 0.10 0.00 0.00 0.00 0.00 175.10 175.51 3fa3 s ALA 23 N 1.71 1.14 0.55 5.51 0.00 -1.01 -3.20 121.76 126.46 3fa3 s ALA 23 Ca 0.06 -1.35 -0.21 0.00 0.00 0.00 0.00 51.96 50.46 3fa3 s ALA 23 Cb -0.16 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.42 3fa3 s ALA 23 CO 0.09 -1.60 1.31 -1.25 0.00 0.00 0.00 175.76 174.30 3fa3 s PRO 24 N 1.82 3.16 -0.07 0.00 0.04 -1.25 -2.87 135.00 135.83 3fa3 s PRO 24 Ca 0.08 2.10 -0.26 0.00 0.04 0.00 0.00 61.00 62.97 3fa3 s PRO 24 Cb -0.17 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 3fa3 s PRO 24 CO -0.27 -1.14 0.82 0.20 0.04 0.00 0.00 177.00 176.65 3fa3 s GLY 25 N -1.13 2.60 0.03 0.56 0.00 -0.47 -0.63 107.32 108.27 3fa3 s GLY 25 Ca 0.72 0.24 -0.02 0.00 0.00 0.00 0.00 44.72 45.66 3fa3 s GLY 25 CO 0.43 1.44 0.01 0.14 0.00 0.00 0.00 173.10 175.13 3fa3 s VAL 26 N 1.15 0.13 0.00 1.40 1.01 0.11 -2.96 120.40 121.25 3fa3 s VAL 26 Ca 0.42 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3fa3 s VAL 26 Cb -0.18 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.54 3fa3 s VAL 26 CO 0.20 -0.61 0.00 0.00 0.00 0.00 0.00 175.10 174.69 3fa3 n TYR 27 N 1.12 0.00 -2.44 5.22 4.11 -1.26 -1.83 117.16 122.07 3fa3 n TYR 27 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.69 3fa3 n TYR 27 Cb 0.57 0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.92 3fa3 n TYR 27 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 3fa3 n ASP 28 N 0.00 0.00 0.17 9.48 5.75 -1.26 -4.58 116.55 126.11 3fa3 n ASP 28 Ca 0.00 -0.33 0.04 0.00 -0.01 0.00 0.00 54.79 54.49 3fa3 n ASP 28 Cb 0.16 0.00 0.29 0.00 -1.03 0.00 0.00 41.12 40.54 3fa3 n ASP 28 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3fa3 h GLY 29 N 0.00 0.00 0.20 6.12 0.00 -1.99 -3.09 103.07 104.32 3fa3 h GLY 29 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 3fa3 h GLY 29 CO 0.00 0.00 -1.38 1.41 0.00 0.00 0.00 176.54 176.57 3fa3 h LEU 30 N 0.00 0.14 -1.50 3.11 3.38 -1.99 -2.94 115.31 115.51 3fa3 h LEU 30 Ca -0.00 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 57.26 3fa3 h LEU 30 Cb 0.96 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3fa3 h LEU 30 CO 0.06 1.56 -0.10 0.77 0.09 0.00 0.00 178.44 180.82 3fa3 h SER 31 N -0.69 0.19 0.49 -0.43 4.64 -1.96 -0.70 113.55 115.10 3fa3 h SER 31 Ca -0.34 -0.03 -0.30 0.00 -0.47 0.00 0.00 61.79 60.65 3fa3 h SER 31 Cb 1.50 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 63.56 3fa3 h SER 31 CO -0.10 0.31 -1.37 0.00 -0.87 0.00 0.00 176.83 174.80 3fa3 h ALA 32 N 1.71 0.05 -0.63 5.18 0.00 -1.67 -2.56 119.26 121.34 3fa3 h ALA 32 Ca 0.04 -0.92 -0.08 0.00 0.00 0.00 0.00 54.91 53.95 3fa3 h ALA 32 Cb 0.30 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3fa3 h ALA 32 CO 0.02 0.92 0.08 0.00 0.00 0.00 0.00 179.25 180.27 3fa3 h ARG 33 N 0.09 1.05 0.03 0.00 2.47 -1.25 -2.76 114.38 114.01 3fa3 h ARG 33 Ca -0.19 -0.28 -0.00 0.00 -1.26 0.00 0.00 59.98 58.25 3fa3 h ARG 33 Cb 2.04 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 30.24 3fa3 h ARG 33 CO 0.22 0.98 -0.01 0.28 0.56 0.00 0.00 179.97 181.99 3fa3 h VAL 34 N 0.98 1.22 -0.76 2.04 2.07 -1.16 -1.71 116.25 118.93 3fa3 h VAL 34 Ca 0.19 -0.78 0.16 0.00 0.82 0.00 0.00 66.70 67.09 3fa3 h VAL 34 Cb 0.45 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 3fa3 h VAL 34 CO 0.02 0.20 0.51 0.00 0.02 0.00 0.00 177.57 178.31 3fa3 h ALA 35 N 0.57 2.17 -0.10 1.67 0.00 -1.53 -1.49 119.26 120.56 3fa3 h ALA 35 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3fa3 h ALA 35 Cb 0.36 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3fa3 h ALA 35 CO 0.01 -0.38 -0.07 -0.07 0.00 0.00 0.00 179.25 178.73 3fa3 h LEU 36 N 0.37 0.23 -1.57 0.00 4.07 -1.32 -2.93 115.31 114.17 3fa3 h LEU 36 Ca 0.37 -0.45 0.00 0.00 0.08 0.00 0.00 57.88 57.88 3fa3 h LEU 36 Cb 0.92 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.60 3fa3 h LEU 36 CO -0.11 0.63 0.00 0.28 -1.08 0.00 0.00 178.44 178.16 3fa3 h SER 37 N -0.17 0.00 -0.20 -0.43 0.02 -0.35 -1.99 113.55 110.43 3fa3 h SER 37 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3fa3 h SER 37 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3fa3 h SER 37 CO 0.02 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.71 3fa3 n ALA 38 N -1.91 2.50 -0.36 3.77 0.00 -0.71 -4.91 120.51 118.89 3fa3 n ALA 38 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3fa3 n ALA 38 Cb 0.16 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3fa3 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 39 N 1.05 0.81 3.79 0.00 0.00 -0.75 -5.06 105.19 105.04 3fa3 n GLY 39 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3fa3 n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa3 s PHE 40 N -2.06 2.89 0.00 1.61 0.40 -1.17 -4.99 117.98 114.65 3fa3 s PHE 40 Ca 0.00 1.51 0.00 0.00 -0.60 0.00 0.00 56.93 57.84 3fa3 s PHE 40 Cb 0.00 -3.03 0.00 0.00 0.51 0.00 0.00 43.02 40.50 3fa3 s PHE 40 CO 0.00 -1.32 0.28 -0.25 0.70 0.00 0.00 175.22 174.64 3fa3 n ASP 41 N -2.35 0.57 -3.90 1.36 8.00 -1.26 -4.86 116.55 114.10 3fa3 n ASP 41 Ca 0.09 -0.79 -0.09 0.00 0.71 0.00 0.00 54.79 54.71 3fa3 n ASP 41 Cb 0.53 0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 41.95 3fa3 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa3 s ALA 42 N -0.40 -0.10 0.04 2.24 0.00 -1.19 -4.01 121.76 118.34 3fa3 s ALA 42 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.25 3fa3 s ALA 42 Cb 0.00 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 3fa3 s ALA 42 CO 0.00 -0.55 -0.11 -0.51 0.00 0.00 0.00 175.76 174.60 3fa3 s LEU 43 N -2.90 2.21 -0.13 0.00 1.43 -0.94 -3.76 118.68 114.58 3fa3 s LEU 43 Ca 0.09 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.69 3fa3 s LEU 43 Cb 0.05 -0.37 -0.02 0.00 0.03 0.00 0.00 46.19 45.87 3fa3 s LEU 43 CO -0.07 -0.08 -0.07 -0.47 0.23 0.00 0.00 176.35 175.89 3fa3 s TYR 44 N -1.06 2.95 -0.48 0.29 5.04 0.19 -0.59 117.35 123.71 3fa3 s TYR 44 Ca -0.04 -0.33 -0.18 0.00 -2.44 0.00 0.00 57.07 54.08 3fa3 s TYR 44 Cb -0.08 -1.88 0.05 0.00 0.35 0.00 0.00 41.96 40.39 3fa3 s TYR 44 CO 0.01 -0.02 0.56 1.41 -1.34 0.00 0.00 175.55 176.17 3fa3 s MET 45 N 0.15 3.11 0.11 4.97 -2.45 0.64 0.08 119.30 125.91 3fa3 s MET 45 Ca -0.03 -0.87 -0.30 0.00 -1.25 0.00 0.00 55.69 53.23 3fa3 s MET 45 Cb -0.14 -4.06 -0.07 0.00 1.25 0.00 0.00 34.83 31.81 3fa3 s MET 45 CO 0.03 -1.10 1.20 -0.08 1.05 0.00 0.00 175.02 176.13 3fa3 s THR 46 N 2.42 3.84 0.16 10.11 -1.32 -0.76 -1.80 115.64 128.28 3fa3 s THR 46 Ca 0.14 1.40 -0.09 0.00 -1.21 0.00 0.00 61.69 61.93 3fa3 s THR 46 Cb -0.19 -3.90 -0.04 0.00 -1.51 0.00 0.00 72.50 66.87 3fa3 s THR 46 CO 0.12 0.16 1.50 1.23 -2.21 0.00 0.00 174.62 175.42 3fa3 h GLY 47 N 6.17 0.94 1.00 6.08 0.00 -1.92 -1.41 103.07 113.94 3fa3 h GLY 47 Ca -0.43 -0.96 -0.07 0.00 0.00 0.00 0.00 47.33 45.87 3fa3 h GLY 47 CO 0.79 0.87 0.07 0.00 0.00 0.00 0.00 176.54 178.27 3fa3 h ALA 48 N 0.84 0.70 -0.31 3.60 0.00 -1.96 -2.38 119.26 119.75 3fa3 h ALA 48 Ca 0.06 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3fa3 h ALA 48 Cb 0.97 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3fa3 h ALA 48 CO 0.09 0.45 -0.29 0.78 0.00 0.00 0.00 179.25 180.29 3fa3 h GLY 49 N 0.76 0.69 1.40 0.00 0.00 -1.93 -2.18 103.07 101.82 3fa3 h GLY 49 Ca 0.16 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 3fa3 h GLY 49 CO 0.01 0.56 0.04 -0.84 0.00 0.00 0.00 176.54 176.31 3fa3 h THR 50 N 0.55 1.23 -0.47 4.70 2.02 -1.08 -0.16 112.91 119.70 3fa3 h THR 50 Ca 0.07 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 3fa3 h THR 50 Cb 0.77 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3fa3 h THR 50 CO 0.06 0.32 0.22 0.00 0.37 0.00 0.00 175.52 176.50 3fa3 h ALA 51 N 1.34 0.61 -0.05 6.16 0.00 -1.08 -0.51 119.26 125.73 3fa3 h ALA 51 Ca 0.14 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 3fa3 h ALA 51 Cb 0.38 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.00 3fa3 h ALA 51 CO 0.01 0.18 -0.93 0.00 0.00 0.00 0.00 179.25 178.51 3fa3 h ALA 52 N 1.07 0.18 0.49 0.00 0.00 -0.70 0.95 119.26 121.25 3fa3 h ALA 52 Ca 0.16 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 3fa3 h ALA 52 Cb 0.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3fa3 h ALA 52 CO -0.02 0.66 -0.24 1.03 0.00 0.00 0.00 179.25 180.69 3fa3 h SER 53 N 0.41 -0.56 -0.36 0.00 0.87 -1.08 -1.29 113.55 111.55 3fa3 h SER 53 Ca -0.10 -0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.29 3fa3 h SER 53 Cb 1.58 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.68 3fa3 h SER 53 CO 0.19 -0.17 -0.19 0.58 -0.53 0.00 0.00 176.83 176.71 3fa3 h VAL 54 N -1.05 1.29 0.00 2.23 2.07 -1.15 -3.37 116.25 116.28 3fa3 h VAL 54 Ca -0.07 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.14 3fa3 h VAL 54 Cb 0.59 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3fa3 h VAL 54 CO 0.11 0.43 -1.08 1.41 0.02 0.00 0.00 177.57 178.46 3fa3 n HIS 55 N -4.29 0.00 -2.12 1.57 8.25 0.30 -5.00 115.22 113.93 3fa3 n HIS 55 Ca -0.02 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.38 3fa3 n HIS 55 Cb 0.41 -0.15 -0.00 0.00 1.12 0.00 0.00 29.99 31.38 3fa3 n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 56 N 1.54 0.16 3.36 -1.41 0.00 -0.49 -5.00 105.19 103.36 3fa3 n GLY 56 Ca -0.00 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 3fa3 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fa3 s GLN 57 N -4.30 1.35 0.91 1.61 2.00 -1.12 -4.95 119.66 115.16 3fa3 s GLN 57 Ca 0.00 -1.41 -0.11 0.00 -2.00 0.00 0.00 55.36 51.85 3fa3 s GLN 57 Cb -0.00 -1.57 0.14 0.00 0.80 0.00 0.00 33.01 32.38 3fa3 s GLN 57 CO 0.01 0.34 1.12 0.00 -0.50 0.00 0.00 175.29 176.25 3fa3 s ALA 58 N -1.72 1.40 -1.17 1.58 0.00 -1.26 -3.13 121.76 117.46 3fa3 s ALA 58 Ca 0.16 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.29 3fa3 s ALA 58 Cb -0.07 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 3fa3 s ALA 58 CO 0.07 -2.66 1.90 -3.47 0.00 0.00 0.00 175.76 171.60 3fa3 n ASP 59 N -4.15 3.39 -1.50 0.00 4.64 -1.26 -4.77 116.55 112.91 3fa3 n ASP 59 Ca 0.10 -2.74 -0.07 0.00 -1.38 0.00 0.00 54.79 50.70 3fa3 n ASP 59 Cb 0.53 -1.66 0.10 0.00 -1.04 0.00 0.00 41.12 39.04 3fa3 n ASP 59 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3fa3 n LEU 60 N 12.18 3.32 -3.32 -2.67 4.77 -1.26 -4.95 117.00 125.08 3fa3 n LEU 60 Ca 0.46 -3.97 -0.23 0.00 -0.03 0.00 0.00 56.01 52.24 3fa3 n LEU 60 Cb 0.45 -0.30 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 3fa3 n LEU 60 CO 0.75 1.56 0.12 0.61 -1.33 0.00 0.00 177.39 179.10 3fa3 n GLY 61 N -0.74 -0.54 0.15 -0.72 0.00 -1.26 -4.88 105.19 97.20 3fa3 n GLY 61 Ca 0.27 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.60 3fa3 n GLY 61 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fa3 h ILE 62 N -2.03 0.00 -3.47 -0.61 1.08 -1.92 -3.45 117.51 107.11 3fa3 h ILE 62 Ca -0.55 -0.89 -0.61 0.00 -0.39 0.00 0.00 64.86 62.42 3fa3 h ILE 62 Cb 1.37 1.65 -0.12 0.00 -3.07 0.00 0.00 36.82 36.64 3fa3 h ILE 62 CO 0.57 0.00 -0.35 0.00 -0.69 0.00 0.00 178.15 177.68 3fa3 s THR 64 N 1.00 2.42 0.21 0.00 -4.23 -1.26 -4.91 115.64 108.87 3fa3 s THR 64 Ca 0.14 -0.38 -0.10 0.00 -1.18 0.00 0.00 61.69 60.17 3fa3 s THR 64 Cb -0.14 -3.01 0.16 0.00 1.34 0.00 0.00 72.50 70.85 3fa3 s THR 64 CO 0.05 -0.01 1.70 0.25 -0.54 0.00 0.00 174.62 176.08 3fa3 h LEU 65 N -0.40 -0.00 -0.80 4.79 5.85 -1.97 -2.15 115.31 120.63 3fa3 h LEU 65 Ca -0.44 0.11 0.16 0.00 0.84 0.00 0.00 57.88 58.56 3fa3 h LEU 65 Cb 1.31 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 42.39 3fa3 h LEU 65 CO 0.58 0.01 0.32 0.78 -0.34 0.00 0.00 178.44 179.79 3fa3 h ASN 66 N 0.26 0.28 0.25 1.25 4.21 -1.99 0.47 115.58 120.31 3fa3 h ASN 66 Ca 0.31 0.12 -0.01 0.00 1.21 0.00 0.00 56.30 57.93 3fa3 h ASN 66 Cb 0.47 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.77 3fa3 h ASN 66 CO -0.40 0.07 -0.12 0.44 -1.29 0.00 0.00 177.43 176.13 3fa3 h ASP 67 N 0.43 -0.29 0.72 5.81 3.32 -1.79 -2.70 116.42 121.93 3fa3 h ASP 67 Ca 0.45 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.35 3fa3 h ASP 67 Cb 0.74 0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.37 3fa3 h ASP 67 CO -0.44 -0.05 -0.35 0.24 -1.72 0.00 0.00 179.24 176.92 3fa3 h MET 68 N -0.52 -0.94 -0.98 3.56 2.86 -0.91 -2.13 114.93 115.87 3fa3 h MET 68 Ca -0.03 0.06 0.09 0.00 -2.06 0.00 0.00 59.70 57.76 3fa3 h MET 68 Cb 0.38 0.21 -0.12 0.00 0.06 0.00 0.00 31.60 32.14 3fa3 h MET 68 CO 0.06 -0.61 -0.57 -2.13 1.06 0.00 0.00 176.91 174.72 3fa3 n ARG 69 N -5.43 -0.42 -0.21 1.72 0.00 0.11 -0.24 116.66 112.19 3fa3 n ARG 69 Ca -0.13 1.49 -0.10 0.00 -0.00 0.00 0.00 57.85 59.11 3fa3 n ARG 69 Cb 0.39 -2.18 -0.06 0.00 0.00 0.00 0.00 32.46 30.61 3fa3 n ARG 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3fa3 h ALA 70 N 0.55 -0.48 -0.32 5.13 0.00 -1.42 0.48 119.26 123.20 3fa3 h ALA 70 Ca 0.17 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3fa3 h ALA 70 Cb 0.41 1.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 3fa3 h ALA 70 CO -0.93 -0.91 0.14 -0.97 0.00 0.00 0.00 179.25 176.59 3fa3 h ASN 71 N -0.26 0.20 -0.28 0.00 -1.24 0.09 -1.89 115.58 112.20 3fa3 h ASN 71 Ca 0.15 0.02 0.07 0.00 0.71 0.00 0.00 56.30 57.24 3fa3 h ASN 71 Cb 0.56 -0.01 -0.07 0.00 0.73 0.00 0.00 38.32 39.53 3fa3 h ASN 71 CO -0.69 0.15 -0.22 0.00 -1.29 0.00 0.00 177.43 175.38 3fa3 h ALA 72 N 1.18 -0.07 -0.34 1.57 0.00 -0.07 -2.30 119.26 119.23 3fa3 h ALA 72 Ca 0.14 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3fa3 h ALA 72 Cb 0.07 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3fa3 h ALA 72 CO -0.11 -0.64 0.04 1.49 0.00 0.00 0.00 179.25 180.03 3fa3 h GLU 73 N -0.21 0.14 -0.13 0.00 4.81 0.58 -0.77 114.58 119.00 3fa3 h GLU 73 Ca 0.15 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.20 3fa3 h GLU 73 Cb 0.44 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3fa3 h GLU 73 CO -0.40 0.09 -0.63 0.00 -0.73 0.00 0.00 179.01 177.34 3fa3 h MET 74 N 0.14 0.46 -0.01 1.92 -0.00 -1.21 -2.14 114.93 114.08 3fa3 h MET 74 Ca 0.16 -0.33 -0.00 0.00 -0.00 0.00 0.00 59.70 59.54 3fa3 h MET 74 Cb 0.21 0.05 -0.00 0.00 -0.00 0.00 0.00 31.60 31.86 3fa3 h MET 74 CO -0.25 0.94 -0.00 0.82 -0.00 0.00 0.00 176.91 178.42 3fa3 h ILE 75 N 0.34 1.32 -0.28 -0.10 2.04 -1.22 -2.56 117.51 117.05 3fa3 h ILE 75 Ca -0.01 -0.96 0.08 0.00 1.00 0.00 0.00 64.86 64.97 3fa3 h ILE 75 Cb 1.18 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 3fa3 h ILE 75 CO 0.11 0.25 0.34 0.28 0.00 0.00 0.00 178.15 179.13 3fa3 h SER 76 N -0.38 0.00 -0.30 1.72 0.02 -0.70 -2.69 113.55 111.23 3fa3 h SER 76 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fa3 h SER 76 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3fa3 h SER 76 CO 0.00 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.28 3fa3 n ASN 77 N -3.64 3.23 -0.02 3.07 3.02 -0.85 -3.52 115.26 116.56 3fa3 n ASN 77 Ca 0.04 -1.95 -0.17 0.00 -0.03 0.00 0.00 54.58 52.47 3fa3 n ASN 77 Cb 0.48 -0.19 -0.09 0.00 -0.61 0.00 0.00 39.78 39.38 3fa3 n ASN 77 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3fa3 h ILE 78 N 4.17 1.34 -2.60 2.41 2.04 -1.37 -3.39 117.51 120.11 3fa3 h ILE 78 Ca 0.00 -1.92 -0.58 0.00 1.00 0.00 0.00 64.86 63.36 3fa3 h ILE 78 Cb 0.93 2.20 -0.39 0.00 -0.74 0.00 0.00 36.82 38.82 3fa3 h ILE 78 CO 0.00 0.59 -0.85 -0.55 0.00 0.00 0.00 178.15 177.34 3fa3 s SER 79 N -6.84 2.97 0.00 1.72 0.15 -1.25 -5.01 113.70 105.44 3fa3 s SER 79 Ca -0.12 -2.22 0.10 0.00 0.70 0.00 0.00 55.95 54.41 3fa3 s SER 79 Cb 0.06 -0.43 0.42 0.00 -1.71 0.00 0.00 66.02 64.37 3fa3 s SER 79 CO 0.85 -0.31 1.32 -2.65 1.20 0.00 0.00 173.24 173.65 3fa3 n PRO 80 N 4.00 0.00 0.01 5.44 -0.02 -1.23 0.16 135.00 143.36 3fa3 n PRO 80 Ca 0.12 0.33 0.11 0.00 -2.02 0.00 0.00 63.50 62.05 3fa3 n PRO 80 Cb 0.37 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.47 3fa3 n PRO 80 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3fa3 n SER 81 N -1.51 0.63 -4.62 2.55 3.41 -1.26 -3.96 113.62 108.86 3fa3 n SER 81 Ca 0.02 -0.32 -0.42 0.00 -0.26 0.00 0.00 58.87 57.90 3fa3 n SER 81 Cb 0.11 0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 64.53 3fa3 n SER 81 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3fa3 s THR 82 N -3.07 4.78 0.36 6.66 2.01 0.12 -4.87 115.64 121.63 3fa3 s THR 82 Ca 0.08 1.30 -0.29 0.00 0.31 0.00 0.00 61.69 63.09 3fa3 s THR 82 Cb 0.16 -4.16 -0.11 0.00 0.01 0.00 0.00 72.50 68.40 3fa3 s THR 82 CO 0.76 -0.23 1.52 -2.65 -0.69 0.00 0.00 174.62 173.33 3fa3 n PRO 83 N 6.22 2.70 -4.24 4.92 -0.02 -1.26 -4.87 135.00 138.46 3fa3 n PRO 83 Ca 0.05 0.95 -0.20 0.00 -2.02 0.00 0.00 63.50 62.27 3fa3 n PRO 83 Cb 0.48 -2.70 -0.16 0.00 -0.02 0.00 0.00 33.50 31.10 3fa3 n PRO 83 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fa3 s VAL 84 N -0.82 0.62 -0.20 -1.45 1.01 -1.26 -2.22 120.40 116.09 3fa3 s VAL 84 Ca 0.56 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.33 3fa3 s VAL 84 Cb -0.48 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 3fa3 s VAL 84 CO 0.60 0.24 -0.06 -0.63 0.00 0.00 0.00 175.10 175.25 3fa3 s ILE 85 N 0.84 3.37 0.06 2.22 1.01 0.25 -1.36 121.20 127.58 3fa3 s ILE 85 Ca -0.12 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.09 3fa3 s ILE 85 Cb -0.15 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 3fa3 s ILE 85 CO 0.01 0.45 -0.17 0.00 0.00 0.00 0.00 174.94 175.23 3fa3 s ALA 86 N 1.14 2.66 0.13 9.38 0.00 0.28 -0.26 121.76 135.09 3fa3 s ALA 86 Ca 0.02 -1.22 -0.31 0.00 0.00 0.00 0.00 51.96 50.45 3fa3 s ALA 86 Cb -0.14 -0.75 -0.07 0.00 0.00 0.00 0.00 23.12 22.15 3fa3 s ALA 86 CO -0.01 0.58 1.28 0.34 0.00 0.00 0.00 175.76 177.95 3fa3 s ASP 87 N -1.64 6.96 -0.00 0.00 2.15 -0.75 -2.35 116.67 121.05 3fa3 s ASP 87 Ca 0.16 2.23 0.00 0.00 0.43 0.00 0.00 52.55 55.37 3fa3 s ASP 87 Cb -0.11 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 39.93 3fa3 s ASP 87 CO 0.07 -0.52 0.93 0.00 -0.17 0.00 0.00 175.17 175.48 3fa3 n ALA 88 N 3.43 1.87 -0.68 3.66 0.00 -1.14 -4.86 120.51 122.78 3fa3 n ALA 88 Ca 0.08 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.56 3fa3 n ALA 88 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3fa3 n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fa3 n ASP 89 N -0.45 0.00 -0.15 0.00 8.00 -1.22 -2.04 116.55 120.69 3fa3 n ASP 89 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 3fa3 n ASP 89 Cb 0.29 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.41 3fa3 n ASP 89 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3fa3 n THR 90 N 0.00 0.00 0.00 -3.53 -2.24 -1.26 -1.56 114.28 105.69 3fa3 n THR 90 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3fa3 n THR 90 Cb 0.00 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 3fa3 n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fa3 n GLY 91 N 0.26 0.90 2.76 3.38 0.00 -0.87 -4.63 105.19 107.00 3fa3 n GLY 91 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 3fa3 n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fa3 n TYR 92 N -1.07 0.00 -1.88 1.61 4.02 -1.26 -3.27 117.16 115.30 3fa3 n TYR 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3fa3 n TYR 92 Cb 0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 39.34 36.95 3fa3 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fa3 n GLY 93 N 0.10 -0.58 0.00 2.72 0.00 -1.26 -4.91 105.19 101.26 3fa3 n GLY 93 Ca -0.08 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3fa3 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 94 N 0.00 0.54 0.18 -0.02 0.00 -1.26 -4.68 105.19 99.94 3fa3 n GLY 94 Ca 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 46.02 44.22 3fa3 n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fa3 h PRO 95 N 0.00 -0.02 -1.00 1.61 0.11 -1.95 -0.92 132.00 129.83 3fa3 h PRO 95 Ca 0.00 0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.38 3fa3 h PRO 95 Cb 0.00 0.01 -0.19 0.00 0.11 0.00 0.00 31.00 30.93 3fa3 h PRO 95 CO 0.00 -0.02 -0.01 0.82 -0.21 0.00 0.00 178.00 178.58 3fa3 h ILE 96 N -0.03 0.01 0.00 4.15 1.08 -1.98 -1.53 117.51 119.21 3fa3 h ILE 96 Ca 0.18 -0.00 -0.18 0.00 -0.39 0.00 0.00 64.86 64.47 3fa3 h ILE 96 Cb 0.30 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.02 3fa3 h ILE 96 CO -0.40 0.00 -1.30 0.24 -0.69 0.00 0.00 178.15 176.00 3fa3 h MET 97 N 0.00 0.00 -0.25 2.37 2.86 -1.49 -2.25 114.93 116.17 3fa3 h MET 97 Ca 0.59 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.22 3fa3 h MET 97 Cb 1.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 3fa3 h MET 97 CO -0.95 0.40 0.14 0.28 1.06 0.00 0.00 176.91 177.84 3fa3 h VAL 98 N 0.00 1.12 0.69 -2.22 2.07 -0.93 -0.92 116.25 116.06 3fa3 h VAL 98 Ca -0.15 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 3fa3 h VAL 98 Cb 1.64 0.88 0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3fa3 h VAL 98 CO 0.06 0.12 -0.33 0.00 0.02 0.00 0.00 177.57 177.44 3fa3 h ALA 99 N 1.02 -0.93 -1.18 1.67 0.00 -1.17 1.28 119.26 119.95 3fa3 h ALA 99 Ca 0.09 -0.20 0.36 0.00 0.00 0.00 0.00 54.91 55.16 3fa3 h ALA 99 Cb 0.07 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 3fa3 h ALA 99 CO -0.01 -1.02 0.75 0.00 0.00 0.00 0.00 179.25 178.97 3fa3 h ARG 100 N -0.94 0.21 0.22 0.00 3.08 -1.43 0.46 114.38 115.98 3fa3 h ARG 100 Ca -0.09 -0.01 -0.31 0.00 0.07 0.00 0.00 59.98 59.63 3fa3 h ARG 100 Cb 0.71 -0.05 0.04 0.00 0.08 0.00 0.00 29.97 30.75 3fa3 h ARG 100 CO 0.16 0.14 -1.36 1.15 -1.07 0.00 0.00 179.97 178.98 3fa3 h THR 101 N 0.21 1.30 0.27 2.04 2.02 0.55 -1.89 112.91 117.41 3fa3 h THR 101 Ca 0.74 -2.63 -0.01 0.00 0.77 0.00 0.00 66.41 65.28 3fa3 h THR 101 Cb 2.10 2.99 -0.02 0.00 -1.74 0.00 0.00 68.15 71.48 3fa3 h THR 101 CO -0.41 0.79 -0.31 0.74 0.37 0.00 0.00 175.52 176.69 3fa3 h THR 102 N 0.12 0.00 -0.75 3.16 2.02 0.42 -1.84 112.91 116.05 3fa3 h THR 102 Ca -0.23 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.06 3fa3 h THR 102 Cb 2.06 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 68.35 3fa3 h THR 102 CO 0.26 0.00 -0.43 -0.33 0.37 0.00 0.00 175.52 175.39 3fa3 h GLU 103 N -0.59 -0.12 0.40 6.66 5.08 -0.31 0.38 114.58 126.07 3fa3 h GLU 103 Ca -0.03 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3fa3 h GLU 103 Cb 0.52 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3fa3 h GLU 103 CO -0.06 -0.08 -0.19 1.96 -1.00 0.00 0.00 179.01 179.64 3fa3 h GLN 104 N -0.13 -0.51 -0.82 2.33 4.20 -1.28 -0.13 115.11 118.76 3fa3 h GLN 104 Ca 0.23 0.03 0.18 0.00 0.06 0.00 0.00 58.65 59.16 3fa3 h GLN 104 Cb 0.55 0.12 -0.15 0.00 0.30 0.00 0.00 27.48 28.30 3fa3 h GLN 104 CO -0.80 -0.24 -0.09 1.88 -0.67 0.00 0.00 178.83 178.91 3fa3 h TYR 105 N -0.72 -0.23 0.36 2.96 -1.99 -1.20 0.79 116.97 116.95 3fa3 h TYR 105 Ca -0.05 0.07 -0.00 0.00 2.00 0.00 0.00 58.73 60.74 3fa3 h TYR 105 Cb 0.50 0.23 -0.03 0.00 2.00 0.00 0.00 36.73 39.44 3fa3 h TYR 105 CO -0.01 -0.32 -0.48 0.77 -0.00 0.00 0.00 178.16 178.12 3fa3 h SER 106 N 0.04 -1.34 0.18 3.88 0.02 -0.06 -1.38 113.55 114.88 3fa3 h SER 106 Ca 0.43 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.49 3fa3 h SER 106 Cb 0.75 0.46 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 3fa3 h SER 106 CO -0.79 -0.60 -0.05 0.03 -1.14 0.00 0.00 176.83 174.27 3fa3 h ARG 107 N -0.88 0.00 0.00 3.45 3.08 -0.61 -0.54 114.38 118.89 3fa3 h ARG 107 Ca -0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3fa3 h ARG 107 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3fa3 h ARG 107 CO -0.13 0.05 -0.21 0.77 -1.07 0.00 0.00 179.97 179.38 3fa3 h SER 108 N 0.00 0.00 0.00 7.04 0.02 0.21 -3.46 113.55 117.36 3fa3 h SER 108 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fa3 h SER 108 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3fa3 h SER 108 CO 0.01 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.52 3fa3 n GLY 109 N -0.15 0.74 3.64 -3.77 0.00 -0.21 -4.73 105.19 100.71 3fa3 n GLY 109 Ca -0.01 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.52 3fa3 n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fa3 n VAL 110 N -1.31 0.05 0.07 1.61 0.31 -0.87 -4.05 118.33 114.14 3fa3 n VAL 110 Ca 0.00 -0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3fa3 n VAL 110 Cb 0.00 -1.27 -0.13 0.00 -0.91 0.00 0.00 33.84 31.53 3fa3 n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fa3 h ALA 111 N 5.68 0.26 -2.98 3.52 0.00 -1.55 -3.42 119.26 120.77 3fa3 h ALA 111 Ca -0.46 -0.94 -0.02 0.00 0.00 0.00 0.00 54.91 53.48 3fa3 h ALA 111 Cb 1.29 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.94 3fa3 h ALA 111 CO 0.85 1.15 0.20 0.00 0.00 0.00 0.00 179.25 181.45 3fa3 s ALA 112 N -2.67 -1.59 0.23 0.00 0.00 -1.01 -1.63 121.76 115.08 3fa3 s ALA 112 Ca -0.02 0.49 -0.10 0.00 0.00 0.00 0.00 51.96 52.33 3fa3 s ALA 112 Cb 0.08 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 24.07 3fa3 s ALA 112 CO 0.85 -0.76 0.39 -0.59 0.00 0.00 0.00 175.76 175.64 3fa3 s PHE 113 N -3.72 0.52 0.03 0.00 -0.12 -0.80 0.99 117.98 114.89 3fa3 s PHE 113 Ca 0.01 -0.85 0.08 0.00 -0.05 0.00 0.00 56.93 56.12 3fa3 s PHE 113 Cb -0.01 0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.37 3fa3 s PHE 113 CO -0.13 -0.89 -0.24 -3.38 -0.05 0.00 0.00 175.22 170.54 3fa3 s HIS 114 N -4.04 2.08 -0.11 3.49 -3.43 -0.99 -1.71 115.29 110.59 3fa3 s HIS 114 Ca 0.25 -0.39 0.01 0.00 -0.80 0.00 0.00 55.06 54.12 3fa3 s HIS 114 Cb 0.01 -1.27 0.02 0.00 -1.43 0.00 0.00 32.58 29.92 3fa3 s HIS 114 CO 0.08 0.08 -0.11 0.42 -2.00 0.00 0.00 174.74 173.21 3fa3 s ILE 115 N -0.74 1.23 0.60 -5.38 1.01 -0.82 -2.88 121.20 114.22 3fa3 s ILE 115 Ca 0.10 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.36 3fa3 s ILE 115 Cb -0.09 -1.18 0.09 0.00 0.01 0.00 0.00 42.46 41.30 3fa3 s ILE 115 CO 0.01 0.39 0.83 -1.83 0.00 0.00 0.00 174.94 174.35 3fa3 s GLU 116 N 1.25 2.19 -0.29 2.79 -1.05 -0.60 -2.05 118.70 120.94 3fa3 s GLU 116 Ca -0.03 -1.55 0.09 0.00 -0.15 0.00 0.00 54.97 53.33 3fa3 s GLU 116 Cb -0.14 -2.59 0.50 0.00 -0.44 0.00 0.00 34.13 31.46 3fa3 s GLU 116 CO -0.04 -0.97 1.45 -0.40 0.95 0.00 0.00 175.26 176.25 3fa3 n ASP 117 N -2.35 2.43 -4.86 0.83 5.75 -1.24 -4.78 116.55 112.33 3fa3 n ASP 117 Ca 0.16 -3.81 -0.31 0.00 -0.01 0.00 0.00 54.79 50.81 3fa3 n ASP 117 Cb 0.61 -0.63 -0.01 0.00 -1.03 0.00 0.00 41.12 40.06 3fa3 n ASP 117 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3fa3 s GLN 118 N -3.27 3.74 1.10 0.11 -0.21 -1.26 -0.33 119.66 119.54 3fa3 s GLN 118 Ca 0.44 0.80 -0.12 0.00 0.02 0.00 0.00 55.36 56.50 3fa3 s GLN 118 Cb 0.41 -2.12 0.24 0.00 1.00 0.00 0.00 33.01 32.54 3fa3 s GLN 118 CO -0.01 -0.42 1.06 0.14 -2.12 0.00 0.00 175.29 173.93 3fa3 s VAL 119 N -2.92 2.08 -1.79 1.09 -7.23 -1.10 -4.57 120.40 105.95 3fa3 s VAL 119 Ca 0.56 0.03 0.18 0.00 -1.81 0.00 0.00 61.98 60.94 3fa3 s VAL 119 Cb -0.11 -2.16 0.57 0.00 0.56 0.00 0.00 36.38 35.24 3fa3 s VAL 119 CO 0.44 -0.03 1.47 1.67 -0.31 0.00 0.00 175.10 178.34 3fa3 n GLN 120 N -4.68 2.70 -2.46 4.82 7.27 -1.26 -5.02 117.38 118.75 3fa3 n GLN 120 Ca 0.05 -2.31 -0.03 0.00 0.07 0.00 0.00 57.00 54.77 3fa3 n GLN 120 Cb 0.54 -1.57 0.08 0.00 2.41 0.00 0.00 30.24 31.70 3fa3 n GLN 120 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 3fa3 n THR 121 N 1.23 0.00 -2.30 1.69 5.66 -1.26 -5.10 114.28 114.20 3fa3 n THR 121 Ca 0.21 -0.89 -0.42 0.00 -3.05 0.00 0.00 64.05 59.91 3fa3 n THR 121 Cb 0.60 0.85 -0.02 0.00 -1.55 0.00 0.00 70.33 70.20 3fa3 n THR 121 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3fa3 s LYS 130 N 0.11 3.36 -0.01 1.09 1.02 -1.26 -5.17 119.74 118.89 3fa3 s LYS 130 Ca 0.10 0.78 -0.10 0.00 0.02 0.00 0.00 55.97 56.76 3fa3 s LYS 130 Cb 0.30 -4.11 -0.05 0.00 -0.52 0.00 0.00 37.83 33.45 3fa3 s LYS 130 CO -0.08 -1.84 0.32 0.42 -0.92 0.00 0.00 175.35 173.25 3fa3 s ILE 131 N 6.14 5.20 0.53 2.17 -1.09 -1.26 -5.02 121.20 127.87 3fa3 s ILE 131 Ca 0.60 0.48 0.05 0.00 -2.23 0.00 0.00 60.65 59.55 3fa3 s ILE 131 Cb -0.13 -3.60 0.03 0.00 -1.58 0.00 0.00 42.46 37.17 3fa3 s ILE 131 CO 0.29 0.48 0.34 -0.76 -1.23 0.00 0.00 174.94 174.05 3fa3 s LEU 132 N -1.40 2.67 0.31 2.97 1.43 -1.26 -2.71 118.68 120.69 3fa3 s LEU 132 Ca 0.25 -1.29 0.07 0.00 -1.03 0.00 0.00 54.13 52.13 3fa3 s LEU 132 Cb -0.14 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 3fa3 s LEU 132 CO 0.13 -1.04 0.30 0.54 0.23 0.00 0.00 176.35 176.50 3fa3 s VAL 133 N -2.78 3.95 0.64 -1.59 0.11 0.56 -4.46 120.40 116.84 3fa3 s VAL 133 Ca 0.30 -1.31 -0.11 0.00 -2.93 0.00 0.00 61.98 57.94 3fa3 s VAL 133 Cb -0.01 -3.31 -0.03 0.00 -1.53 0.00 0.00 36.38 31.49 3fa3 s VAL 133 CO 0.19 -0.23 1.04 1.51 -3.33 0.00 0.00 175.10 174.28 3fa3 s ASP 134 N -3.98 6.03 0.14 3.54 -4.77 -1.26 -4.86 116.67 111.52 3fa3 s ASP 134 Ca 0.39 1.39 -0.19 0.00 -3.30 0.00 0.00 52.55 50.83 3fa3 s ASP 134 Cb -0.07 -2.38 0.01 0.00 -1.09 0.00 0.00 42.92 39.39 3fa3 s ASP 134 CO 0.27 -0.99 1.69 0.74 0.70 0.00 0.00 175.17 177.57 3fa3 h THR 135 N -0.41 0.71 -0.62 2.11 2.02 -1.99 -1.47 112.91 113.26 3fa3 h THR 135 Ca -0.44 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.82 3fa3 h THR 135 Cb 1.20 0.71 -0.10 0.00 -1.74 0.00 0.00 68.15 68.21 3fa3 h THR 135 CO 0.62 0.00 -0.49 0.44 0.37 0.00 0.00 175.52 176.46 3fa3 h ASP 136 N -0.03 -1.70 -0.24 4.18 3.32 -1.99 0.63 116.42 120.59 3fa3 h ASP 136 Ca 0.12 0.26 0.04 0.00 0.02 0.00 0.00 57.03 57.48 3fa3 h ASP 136 Cb 0.22 0.75 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 3fa3 h ASP 136 CO -0.27 -0.34 -0.02 0.74 -1.72 0.00 0.00 179.24 177.62 3fa3 h THR 137 N -0.23 0.80 0.34 0.35 2.02 -1.87 -1.27 112.91 113.05 3fa3 h THR 137 Ca 0.16 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 3fa3 h THR 137 Cb 0.55 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3fa3 h THR 137 CO -0.72 0.01 -0.35 0.22 0.37 0.00 0.00 175.52 175.05 3fa3 h TYR 138 N 0.04 -0.95 -0.97 3.16 3.20 -0.15 0.77 116.97 122.08 3fa3 h TYR 138 Ca 0.12 0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.24 3fa3 h TYR 138 Cb 0.16 0.37 -0.07 0.00 1.54 0.00 0.00 36.73 38.74 3fa3 h TYR 138 CO -0.22 -0.49 0.65 0.28 -1.64 0.00 0.00 178.16 176.74 3fa3 h VAL 139 N -0.72 0.58 0.16 1.81 2.07 0.39 -0.83 116.25 119.70 3fa3 h VAL 139 Ca -0.02 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 3fa3 h VAL 139 Cb 0.66 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3fa3 h VAL 139 CO -0.07 0.05 -0.12 0.74 0.02 0.00 0.00 177.57 178.18 3fa3 h THR 140 N 0.27 0.73 -0.81 2.57 2.02 0.33 0.55 112.91 118.57 3fa3 h THR 140 Ca 0.50 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.84 3fa3 h THR 140 Cb 1.50 0.73 -0.10 0.00 -1.74 0.00 0.00 68.15 68.53 3fa3 h THR 140 CO -0.15 0.00 0.35 0.03 0.37 0.00 0.00 175.52 176.12 3fa3 h ARG 141 N -0.29 0.46 0.10 6.66 3.08 -0.08 -0.84 114.38 123.46 3fa3 h ARG 141 Ca -0.01 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3fa3 h ARG 141 Cb 0.26 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3fa3 h ARG 141 CO -0.01 0.31 -0.05 0.82 -1.07 0.00 0.00 179.97 179.97 3fa3 h ILE 142 N 0.48 1.07 0.00 2.04 2.04 -0.70 -3.09 117.51 119.34 3fa3 h ILE 142 Ca 0.46 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.96 3fa3 h ILE 142 Cb 0.73 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 3fa3 h ILE 142 CO -0.42 0.29 0.00 -2.11 0.00 0.00 0.00 178.15 175.91 3fa3 n ARG 143 N -4.84 0.19 0.13 2.37 1.85 0.11 0.95 116.66 117.42 3fa3 n ARG 143 Ca -0.08 0.12 -0.02 0.00 -1.00 0.00 0.00 57.85 56.87 3fa3 n ARG 143 Cb 0.29 -1.50 0.17 0.00 -1.05 0.00 0.00 32.46 30.37 3fa3 n ARG 143 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3fa3 h ALA 144 N 2.86 0.97 0.21 2.89 0.00 -1.13 -2.69 119.26 122.37 3fa3 h ALA 144 Ca 0.00 -0.55 -0.33 0.00 0.00 0.00 0.00 54.91 54.02 3fa3 h ALA 144 Cb 0.24 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.96 3fa3 h ALA 144 CO 0.00 0.76 -1.56 0.00 0.00 0.00 0.00 179.25 178.45 3fa3 h ALA 145 N 1.36 -0.00 -0.35 0.00 0.00 0.66 -2.51 119.26 118.41 3fa3 h ALA 145 Ca -0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 54.91 53.91 3fa3 h ALA 145 Cb 1.08 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3fa3 h ALA 145 CO 0.08 0.82 0.20 -0.39 0.00 0.00 0.00 179.25 179.96 3fa3 h VAL 146 N 0.07 1.14 -0.92 0.00 -1.51 -1.56 -1.65 116.25 111.82 3fa3 h VAL 146 Ca -0.29 -0.34 -0.01 0.00 -1.23 0.00 0.00 66.70 64.82 3fa3 h VAL 146 Cb 2.09 0.72 -0.04 0.00 -2.13 0.00 0.00 31.29 31.93 3fa3 h VAL 146 CO 0.21 0.14 0.53 1.56 -1.23 0.00 0.00 177.57 178.78 3fa3 h GLN 147 N 0.45 1.26 -0.18 5.19 4.20 -1.50 -0.01 115.11 124.53 3fa3 h GLN 147 Ca 0.12 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 3fa3 h GLN 147 Cb 0.05 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3fa3 h GLN 147 CO -0.02 0.90 -0.26 0.00 -0.67 0.00 0.00 178.83 178.78 3fa3 h ALA 148 N 1.30 1.23 0.04 3.87 0.00 -1.31 -1.04 119.26 123.35 3fa3 h ALA 148 Ca 0.33 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fa3 h ALA 148 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3fa3 h ALA 148 CO -0.06 0.51 -0.02 -0.09 0.00 0.00 0.00 179.25 179.59 3fa3 h ARG 149 N 0.29 -0.05 0.19 0.00 2.43 -0.25 -2.75 114.38 114.24 3fa3 h ARG 149 Ca 0.04 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3fa3 h ARG 149 Cb 0.62 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 3fa3 h ARG 149 CO 0.04 0.59 -0.52 1.96 -1.51 0.00 0.00 179.97 180.54 3fa3 h GLN 150 N -0.77 -0.77 -0.86 0.20 4.20 -0.97 0.17 115.11 116.30 3fa3 h GLN 150 Ca -0.01 0.05 0.34 0.00 0.06 0.00 0.00 58.65 59.09 3fa3 h GLN 150 Cb 0.67 0.17 -0.16 0.00 0.30 0.00 0.00 27.48 28.46 3fa3 h GLN 150 CO 0.01 -0.51 0.38 -2.13 -0.67 0.00 0.00 178.83 175.90 3fa3 n ARG 151 N -5.50 -0.06 -0.01 1.46 0.63 -0.40 -0.53 116.66 112.25 3fa3 n ARG 151 Ca -0.09 1.21 0.12 0.00 -0.92 0.00 0.00 57.85 58.17 3fa3 n ARG 151 Cb 0.42 -2.12 0.15 0.00 0.45 0.00 0.00 32.46 31.36 3fa3 n ARG 151 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3fa3 n ILE 152 N -5.01 0.03 -1.08 5.15 -5.35 -0.39 -4.95 119.36 107.76 3fa3 n ILE 152 Ca 0.30 -0.49 -0.03 0.00 -0.27 0.00 0.00 62.75 62.27 3fa3 n ILE 152 Cb 1.02 1.36 -0.01 0.00 -1.74 0.00 0.00 39.64 40.27 3fa3 n ILE 152 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fa3 n GLY 153 N 1.34 0.59 3.75 3.28 0.00 0.46 -5.00 105.19 109.62 3fa3 n GLY 153 Ca 0.15 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 3fa3 n GLY 153 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fa3 s SER 154 N -2.91 7.49 -0.05 1.61 0.15 -0.78 -4.96 113.70 114.25 3fa3 s SER 154 Ca 0.00 1.76 0.00 0.00 0.70 0.00 0.00 55.95 58.42 3fa3 s SER 154 Cb 0.00 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.83 3fa3 s SER 154 CO 0.00 0.11 1.10 0.47 1.20 0.00 0.00 173.24 176.12 3fa3 n ASP 155 N 1.95 3.08 -4.77 5.45 8.00 -1.26 -4.59 116.55 124.42 3fa3 n ASP 155 Ca -0.02 -2.17 -0.39 0.00 0.71 0.00 0.00 54.79 52.91 3fa3 n ASP 155 Cb 0.48 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.12 41.04 3fa3 n ASP 155 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3fa3 s ILE 156 N -0.36 2.84 -0.41 0.53 2.07 -1.26 -4.42 121.20 120.19 3fa3 s ILE 156 Ca 0.06 0.72 -0.23 0.00 -1.41 0.00 0.00 60.65 59.79 3fa3 s ILE 156 Cb 0.05 -3.41 0.02 0.00 0.13 0.00 0.00 42.46 39.25 3fa3 s ILE 156 CO 0.01 0.08 0.80 -0.69 -1.91 0.00 0.00 174.94 173.23 3fa3 s VAL 157 N -1.34 4.67 -0.40 4.00 1.01 -0.65 -5.00 120.40 122.70 3fa3 s VAL 157 Ca 0.58 0.65 -0.22 0.00 0.00 0.00 0.00 61.98 62.99 3fa3 s VAL 157 Cb -0.35 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.76 3fa3 s VAL 157 CO 0.44 -0.61 0.73 -0.69 0.00 0.00 0.00 175.10 174.97 3fa3 s VAL 158 N 3.25 4.75 -0.26 2.92 1.01 -1.26 -1.90 120.40 128.91 3fa3 s VAL 158 Ca 0.31 0.56 -0.10 0.00 0.00 0.00 0.00 61.98 62.76 3fa3 s VAL 158 Cb -0.12 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 3fa3 s VAL 158 CO 0.21 -0.52 0.15 -0.63 0.00 0.00 0.00 175.10 174.30 3fa3 s ILE 159 N 3.04 5.04 -0.36 2.22 1.01 -0.69 -0.14 121.20 131.33 3fa3 s ILE 159 Ca 0.28 0.08 -0.15 0.00 0.00 0.00 0.00 60.65 60.86 3fa3 s ILE 159 Cb -0.13 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 3fa3 s ILE 159 CO 0.19 0.29 0.32 0.00 0.00 0.00 0.00 174.94 175.74 3fa3 s ALA 160 N 1.57 3.49 -0.10 9.38 0.00 -0.42 -1.95 121.76 133.73 3fa3 s ALA 160 Ca 0.07 -1.35 -0.14 0.00 0.00 0.00 0.00 51.96 50.54 3fa3 s ALA 160 Cb -0.15 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 3fa3 s ALA 160 CO 0.08 -1.12 0.34 0.50 0.00 0.00 0.00 175.76 175.55 3fa3 s ARG 161 N 1.89 4.07 0.10 0.00 3.52 -0.87 -0.12 118.95 127.54 3fa3 s ARG 161 Ca 0.09 0.22 0.05 0.00 -0.13 0.00 0.00 55.73 55.97 3fa3 s ARG 161 Cb -0.17 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 3fa3 s ARG 161 CO 0.11 0.43 -0.02 -0.08 -0.81 0.00 0.00 175.30 174.94 3fa3 s THR 162 N -0.17 3.88 -0.17 4.11 -1.32 0.33 -3.73 115.64 118.58 3fa3 s THR 162 Ca 0.20 -1.08 0.12 0.00 -1.21 0.00 0.00 61.69 59.73 3fa3 s THR 162 Cb -0.14 -2.85 0.24 0.00 -1.51 0.00 0.00 72.50 68.23 3fa3 s THR 162 CO 0.08 0.10 1.15 0.47 -2.21 0.00 0.00 174.62 174.21 3fa3 n ASP 163 N 0.53 2.51 0.00 8.08 8.00 -1.26 -1.46 116.55 132.95 3fa3 n ASP 163 Ca -0.11 -2.66 0.14 0.00 0.71 0.00 0.00 54.79 52.87 3fa3 n ASP 163 Cb 0.52 -0.30 0.76 0.00 -0.02 0.00 0.00 41.12 42.08 3fa3 n ASP 163 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3fa3 n SER 164 N -0.87 0.00 0.04 -2.24 3.41 -1.26 -4.49 113.62 108.21 3fa3 n SER 164 Ca 0.12 -0.38 -0.06 0.00 -0.26 0.00 0.00 58.87 58.28 3fa3 n SER 164 Cb 0.54 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.26 3fa3 n SER 164 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fa3 h LEU 165 N 0.00 -0.63 0.09 1.04 5.85 -1.84 0.30 115.31 120.11 3fa3 h LEU 165 Ca 0.00 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3fa3 h LEU 165 Cb 0.18 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3fa3 h LEU 165 CO 0.00 -0.22 -0.04 0.06 -0.34 0.00 0.00 178.44 177.90 3fa3 h GLN 166 N -0.29 -0.11 -0.98 1.25 3.07 -1.89 0.81 115.11 116.96 3fa3 h GLN 166 Ca -0.00 0.01 0.21 0.00 0.09 0.00 0.00 58.65 58.96 3fa3 h GLN 166 Cb 0.29 0.03 -0.19 0.00 0.08 0.00 0.00 27.48 27.69 3fa3 h GLN 166 CO -0.12 0.41 -0.19 1.79 0.09 0.00 0.00 178.83 180.81 3fa3 h THR 167 N -0.73 0.02 0.00 1.86 1.35 -1.85 -3.33 112.91 110.23 3fa3 h THR 167 Ca -0.01 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3fa3 h THR 167 Cb 0.57 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 3fa3 h THR 167 CO 0.02 0.00 -0.21 1.41 -0.25 0.00 0.00 175.52 176.49 3fa3 n HIS 168 N -5.59 0.00 0.00 4.73 8.25 0.10 -5.13 115.22 117.58 3fa3 n HIS 168 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3fa3 n HIS 168 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 3fa3 n HIS 168 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 169 N 1.14 -0.51 0.23 -1.41 0.00 0.28 -4.61 105.19 100.31 3fa3 n GLY 169 Ca 0.00 -1.53 -0.01 0.00 0.00 0.00 0.00 46.02 44.48 3fa3 n GLY 169 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fa3 h TYR 170 N 0.00 0.45 -0.27 1.61 3.20 -1.91 -2.56 116.97 117.48 3fa3 h TYR 170 Ca 0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 3fa3 h TYR 170 Cb 0.00 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3fa3 h TYR 170 CO 0.00 0.15 0.12 0.93 -1.64 0.00 0.00 178.16 177.73 3fa3 h GLU 171 N 0.46 0.26 -0.65 1.82 4.39 -1.98 -2.67 114.58 116.22 3fa3 h GLU 171 Ca 0.29 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 60.09 3fa3 h GLU 171 Cb 0.30 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 28.81 3fa3 h GLU 171 CO -0.26 0.17 0.20 1.49 -1.16 0.00 0.00 179.01 179.45 3fa3 h GLU 172 N 0.26 0.34 -0.64 2.33 4.57 -1.71 -2.21 114.58 117.52 3fa3 h GLU 172 Ca 0.11 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.29 3fa3 h GLU 172 Cb 0.05 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 3fa3 h GLU 172 CO -0.09 0.23 0.42 0.77 -1.18 0.00 0.00 179.01 179.16 3fa3 h SER 173 N 0.35 0.71 0.55 1.04 0.02 -1.39 -1.38 113.55 113.45 3fa3 h SER 173 Ca 0.34 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 3fa3 h SER 173 Cb 0.49 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.86 3fa3 h SER 173 CO -0.38 0.50 -0.26 0.58 -1.14 0.00 0.00 176.83 176.13 3fa3 h VAL 174 N 0.83 0.27 -0.98 2.27 2.07 -1.24 0.31 116.25 119.77 3fa3 h VAL 174 Ca 0.24 -0.41 0.10 0.00 0.82 0.00 0.00 66.70 67.46 3fa3 h VAL 174 Cb -0.04 0.38 -0.13 0.00 -1.52 0.00 0.00 31.29 29.98 3fa3 h VAL 174 CO -0.06 0.04 -0.54 0.00 0.02 0.00 0.00 177.57 177.04 3fa3 n ALA 175 N -2.61 -0.51 -0.25 1.67 0.00 -0.83 0.30 120.51 118.28 3fa3 n ALA 175 Ca -0.11 0.87 0.11 0.00 0.00 0.00 0.00 53.44 54.31 3fa3 n ALA 175 Cb 0.33 -0.21 0.38 0.00 0.00 0.00 0.00 19.45 19.95 3fa3 n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 h ARG 176 N 0.00 0.67 -0.25 0.00 3.08 -1.23 1.21 114.38 117.86 3fa3 h ARG 176 Ca 0.20 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 60.06 3fa3 h ARG 176 Cb 0.45 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3fa3 h ARG 176 CO -0.94 0.44 -0.46 -0.07 -1.07 0.00 0.00 179.97 177.88 3fa3 h LEU 177 N 0.69 0.70 -0.21 3.04 3.38 0.69 -2.47 115.31 121.13 3fa3 h LEU 177 Ca 0.42 -0.34 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 3fa3 h LEU 177 Cb 0.65 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3fa3 h LEU 177 CO -0.18 1.05 -0.89 0.03 0.09 0.00 0.00 178.44 178.54 3fa3 h ARG 178 N 0.52 0.00 -0.52 1.13 3.08 1.04 -0.80 114.38 118.84 3fa3 h ARG 178 Ca 0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3fa3 h ARG 178 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 3fa3 h ARG 178 CO 0.09 0.89 0.21 0.00 -1.07 0.00 0.00 179.97 180.10 3fa3 h ALA 179 N 1.11 0.67 -0.38 0.04 0.00 0.31 -2.24 119.26 118.77 3fa3 h ALA 179 Ca -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3fa3 h ALA 179 Cb 1.58 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3fa3 h ALA 179 CO 0.12 0.27 0.25 0.00 0.00 0.00 0.00 179.25 179.88 3fa3 h ALA 180 N 1.06 0.49 -0.98 0.00 0.00 -0.92 0.11 119.26 119.00 3fa3 h ALA 180 Ca 0.17 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.20 3fa3 h ALA 180 Cb 0.19 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 3fa3 h ALA 180 CO -0.02 -0.07 0.62 -0.09 0.00 0.00 0.00 179.25 179.69 3fa3 h ARG 181 N 0.50 0.88 -0.14 0.00 2.43 -1.06 -1.81 114.38 115.18 3fa3 h ARG 181 Ca 0.14 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.12 3fa3 h ARG 181 Cb -0.04 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 3fa3 h ARG 181 CO -0.04 0.58 -0.54 -0.44 -1.51 0.00 0.00 179.97 178.01 3fa3 h ASP 182 N 0.90 0.45 0.00 -3.80 5.19 -0.43 0.16 116.42 118.90 3fa3 h ASP 182 Ca 0.50 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 3fa3 h ASP 182 Cb 0.59 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.98 3fa3 h ASP 182 CO -0.27 0.90 0.00 0.00 -3.12 0.00 0.00 179.24 176.75 3fa3 n ALA 183 N -2.49 2.00 -2.88 3.45 0.00 -0.25 -4.85 120.51 115.49 3fa3 n ALA 183 Ca -0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.24 3fa3 n ALA 183 Cb 0.59 -1.14 0.06 0.00 0.00 0.00 0.00 19.45 18.95 3fa3 n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 184 N -0.08 -0.62 3.95 0.00 0.00 0.57 -4.59 105.19 104.41 3fa3 n GLY 184 Ca 0.07 0.34 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 3fa3 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 s ALA 185 N -3.30 3.70 -0.26 4.61 0.00 -0.72 -4.83 121.76 120.96 3fa3 s ALA 185 Ca 0.31 -1.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.17 3fa3 s ALA 185 Cb -0.04 -2.20 -0.16 0.00 0.00 0.00 0.00 23.12 20.72 3fa3 s ALA 185 CO 0.57 -0.47 -0.21 -0.25 0.00 0.00 0.00 175.76 175.39 3fa3 n ASP 186 N -2.18 1.97 -4.32 0.00 8.00 0.81 -4.68 116.55 116.15 3fa3 n ASP 186 Ca 0.02 0.14 -0.29 0.00 0.71 0.00 0.00 54.79 55.37 3fa3 n ASP 186 Cb 0.58 -0.67 -0.15 0.00 -0.02 0.00 0.00 41.12 40.87 3fa3 n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fa3 s VAL 187 N -2.51 2.04 0.22 2.53 1.01 -0.81 -4.26 120.40 118.63 3fa3 s VAL 187 Ca -0.35 -1.34 -0.06 0.00 0.00 0.00 0.00 61.98 60.22 3fa3 s VAL 187 Cb 0.11 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.68 3fa3 s VAL 187 CO 0.56 0.35 0.50 -0.83 0.00 0.00 0.00 175.10 175.68 3fa3 s GLY 188 N -1.19 2.12 -0.33 4.51 0.00 0.24 -1.30 107.32 111.37 3fa3 s GLY 188 Ca 0.11 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.38 3fa3 s GLY 188 CO 0.02 -0.35 0.32 -0.12 0.00 0.00 0.00 173.10 172.97 3fa3 s PHE 189 N -1.86 -0.34 -0.56 1.90 5.99 0.83 -2.14 117.98 121.79 3fa3 s PHE 189 Ca 0.44 -0.50 -0.22 0.00 0.00 0.00 0.00 56.93 56.65 3fa3 s PHE 189 Cb -0.11 -0.46 0.05 0.00 0.00 0.00 0.00 43.02 42.50 3fa3 s PHE 189 CO 0.25 -0.94 0.85 -1.17 -0.00 0.00 0.00 175.22 174.21 3fa3 s LEU 190 N 1.93 4.46 -0.14 6.12 0.20 -1.26 -0.51 118.68 129.47 3fa3 s LEU 190 Ca 0.13 -0.68 -0.27 0.00 0.69 0.00 0.00 54.13 54.00 3fa3 s LEU 190 Cb -0.15 -2.62 -0.01 0.00 -0.43 0.00 0.00 46.19 42.98 3fa3 s LEU 190 CO -0.20 -1.17 0.90 -0.70 -0.29 0.00 0.00 176.35 174.89 3fa3 s GLU 191 N 3.54 4.35 0.00 1.98 2.56 -0.54 -3.88 118.70 126.71 3fa3 s GLU 191 Ca 0.24 1.16 0.00 0.00 0.00 0.00 0.00 54.97 56.36 3fa3 s GLU 191 Cb -0.16 -3.56 0.00 0.00 2.00 0.00 0.00 34.13 32.41 3fa3 s GLU 191 CO 0.15 -0.32 0.00 0.41 -0.56 0.00 0.00 175.26 174.94 3fa3 n GLY 192 N 3.31 1.21 2.91 -1.50 0.00 -1.26 -4.54 105.19 105.31 3fa3 n GLY 192 Ca 0.06 -0.41 -0.50 0.00 0.00 0.00 0.00 46.02 45.17 3fa3 n GLY 192 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa3 n ILE 193 N -2.29 0.00 0.44 -0.61 2.08 -1.25 -4.65 119.36 113.07 3fa3 n ILE 193 Ca 0.00 0.00 0.11 0.00 0.56 0.00 0.00 62.75 63.42 3fa3 n ILE 193 Cb 0.24 -0.07 0.02 0.00 -0.75 0.00 0.00 39.64 39.07 3fa3 n ILE 193 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3fa3 n THR 194 N 1.59 0.25 -3.62 1.39 -2.24 -1.26 -2.79 114.28 107.60 3fa3 n THR 194 Ca 0.18 -0.32 -0.06 0.00 -2.27 0.00 0.00 64.05 61.58 3fa3 n THR 194 Cb 0.05 0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.28 3fa3 n THR 194 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3fa3 s SER 195 N -4.26 -0.21 0.39 3.42 1.04 -1.26 -4.51 113.70 108.31 3fa3 s SER 195 Ca 0.02 0.30 0.26 0.00 0.48 0.00 0.00 55.95 57.01 3fa3 s SER 195 Cb 0.13 0.27 1.36 0.00 0.10 0.00 0.00 66.02 67.88 3fa3 s SER 195 CO 0.80 -0.14 1.50 0.54 0.98 0.00 0.00 173.24 176.92 3fa3 n ARG 196 N 1.08 -0.05 -0.08 4.02 1.74 -1.26 -0.04 116.66 122.07 3fa3 n ARG 196 Ca -0.07 1.26 -0.12 0.00 -0.77 0.00 0.00 57.85 58.14 3fa3 n ARG 196 Cb 0.58 -2.37 -0.05 0.00 -1.02 0.00 0.00 32.46 29.60 3fa3 n ARG 196 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3fa3 h GLU 197 N 0.00 0.52 -0.49 5.56 4.81 -2.01 -2.32 114.58 120.65 3fa3 h GLU 197 Ca 0.83 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.75 3fa3 h GLU 197 Cb 2.45 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.80 3fa3 h GLU 197 CO -0.58 0.80 0.04 1.98 -0.73 0.00 0.00 179.01 180.52 3fa3 h MET 198 N 0.23 0.79 -1.00 1.92 4.05 -0.99 -2.52 114.93 117.42 3fa3 h MET 198 Ca 0.05 -0.19 0.10 0.00 -0.28 0.00 0.00 59.70 59.38 3fa3 h MET 198 Cb 0.66 -0.10 -0.08 0.00 -0.80 0.00 0.00 31.60 31.28 3fa3 h MET 198 CO 0.04 0.77 0.63 0.00 0.23 0.00 0.00 176.91 178.58 3fa3 h ALA 199 N 1.30 1.47 -0.11 0.39 0.00 -0.28 -1.06 119.26 120.96 3fa3 h ALA 199 Ca 0.15 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3fa3 h ALA 199 Cb 0.40 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3fa3 h ALA 199 CO 0.01 0.28 -0.11 0.00 0.00 0.00 0.00 179.25 179.43 3fa3 h ARG 200 N 1.03 0.27 -0.35 0.00 3.08 -1.23 -3.07 114.38 114.11 3fa3 h ARG 200 Ca 0.48 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.33 3fa3 h ARG 200 Cb 0.40 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3fa3 h ARG 200 CO -0.24 0.69 0.00 1.96 -1.07 0.00 0.00 179.97 181.31 3fa3 h GLN 201 N -0.13 0.55 0.22 0.04 1.08 -1.13 -1.29 115.11 114.45 3fa3 h GLN 201 Ca 0.02 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 3fa3 h GLN 201 Cb 0.64 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 3fa3 h GLN 201 CO 0.03 0.57 -0.11 -0.24 -0.95 0.00 0.00 178.83 178.13 3fa3 h VAL 202 N 0.52 0.81 -0.55 -0.54 3.04 -1.29 0.19 116.25 118.43 3fa3 h VAL 202 Ca 0.11 -0.84 0.10 0.00 -1.01 0.00 0.00 66.70 65.06 3fa3 h VAL 202 Cb 0.34 1.25 -0.08 0.00 -2.01 0.00 0.00 31.29 30.78 3fa3 h VAL 202 CO 0.01 0.17 0.11 0.40 -1.01 0.00 0.00 177.57 177.25 3fa3 h ILE 203 N -0.77 0.68 -0.65 3.17 2.04 -1.42 -0.11 117.51 120.45 3fa3 h ILE 203 Ca -0.03 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3fa3 h ILE 203 Cb 0.51 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3fa3 h ILE 203 CO 0.05 0.04 0.32 -0.61 0.00 0.00 0.00 178.15 177.96 3fa3 h GLN 204 N 0.25 0.92 0.00 2.37 4.15 -1.21 -0.59 115.11 120.99 3fa3 h GLN 204 Ca 0.28 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3fa3 h GLN 204 Cb 0.40 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3fa3 h GLN 204 CO -0.37 0.72 0.00 -0.25 -1.93 0.00 0.00 178.83 177.01 3fa3 n ASP 205 N -4.50 0.31 -2.43 -0.69 8.00 0.67 -2.25 116.55 115.65 3fa3 n ASP 205 Ca 0.05 0.55 -0.16 0.00 0.71 0.00 0.00 54.79 55.94 3fa3 n ASP 205 Cb 0.11 -0.63 0.02 0.00 -0.02 0.00 0.00 41.12 40.61 3fa3 n ASP 205 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fa3 n LEU 206 N -1.82 3.48 -4.38 0.64 4.77 -0.30 -5.06 117.00 114.34 3fa3 n LEU 206 Ca 0.04 -4.25 -0.36 0.00 -0.03 0.00 0.00 56.01 51.41 3fa3 n LEU 206 Cb 0.27 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.38 3fa3 n LEU 206 CO 0.21 1.78 -0.20 0.00 -1.33 0.00 0.00 177.39 177.85 3fa3 n ALA 207 N -0.53 -2.26 0.00 -1.18 0.00 -0.26 -2.30 120.51 113.98 3fa3 n ALA 207 Ca 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3fa3 n ALA 207 Cb 0.83 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3fa3 n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 208 N 1.96 0.91 3.65 0.00 0.00 -1.26 -4.89 105.19 105.56 3fa3 n GLY 208 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3fa3 n GLY 208 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fa3 s TRP 209 N 0.00 2.44 0.29 1.61 -0.00 -0.97 -5.00 118.94 117.31 3fa3 s TRP 209 Ca 0.00 0.67 -0.30 0.00 -0.00 0.00 0.00 56.10 56.47 3fa3 s TRP 209 Cb 0.00 -3.75 -0.11 0.00 -0.00 0.00 0.00 33.47 29.61 3fa3 s TRP 209 CO 0.00 -2.56 1.56 -2.14 -0.00 0.00 0.00 176.95 173.82 3fa3 s PRO 210 N 3.93 4.15 0.26 5.86 0.02 -1.26 -4.84 135.00 143.12 3fa3 s PRO 210 Ca 0.63 2.53 0.05 0.00 0.02 0.00 0.00 61.00 64.23 3fa3 s PRO 210 Cb -0.25 -3.04 -0.06 0.00 0.02 0.00 0.00 34.50 31.18 3fa3 s PRO 210 CO 0.22 -0.59 -0.01 -0.51 -0.33 0.00 0.00 177.00 175.78 3fa3 s LEU 211 N -0.56 2.30 -0.09 -5.54 1.43 -1.26 0.79 118.68 115.75 3fa3 s LEU 211 Ca 0.62 -1.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.45 3fa3 s LEU 211 Cb -0.47 -0.43 0.04 0.00 0.03 0.00 0.00 46.19 45.37 3fa3 s LEU 211 CO 0.48 -0.46 0.07 -0.22 0.23 0.00 0.00 176.35 176.44 3fa3 s LEU 212 N -3.39 0.26 -0.09 1.79 0.20 -0.91 -1.81 118.68 114.73 3fa3 s LEU 212 Ca 0.30 -0.19 -0.17 0.00 0.69 0.00 0.00 54.13 54.76 3fa3 s LEU 212 Cb 0.05 -0.20 -0.05 0.00 -0.43 0.00 0.00 46.19 45.56 3fa3 s LEU 212 CO 0.11 -0.28 0.44 -0.22 -0.29 0.00 0.00 176.35 176.10 3fa3 s LEU 213 N 2.14 4.32 -0.30 -0.68 2.96 -0.66 -4.52 118.68 121.95 3fa3 s LEU 213 Ca 0.04 0.81 -0.15 0.00 -0.22 0.00 0.00 54.13 54.61 3fa3 s LEU 213 Cb -0.14 -2.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 3fa3 s LEU 213 CO -0.05 0.09 0.37 0.21 -1.32 0.00 0.00 176.35 175.65 3fa3 s ASN 214 N 0.19 6.22 -0.60 3.68 2.47 -1.26 -1.61 114.94 124.04 3fa3 s ASN 214 Ca 0.24 0.09 -0.10 0.00 0.42 0.00 0.00 52.86 53.51 3fa3 s ASN 214 Cb -0.15 -2.20 0.15 0.00 -1.45 0.00 0.00 41.25 37.60 3fa3 s ASN 214 CO 0.10 -0.24 0.49 -0.04 -3.72 0.00 0.00 177.10 173.69 3fa3 s MET 215 N 2.06 2.83 -0.26 0.43 -1.94 -0.19 -4.90 119.30 117.33 3fa3 s MET 215 Ca 0.14 -2.08 -0.04 0.00 -1.71 0.00 0.00 55.69 51.99 3fa3 s MET 215 Cb -0.16 -4.06 0.01 0.00 2.01 0.00 0.00 34.83 32.63 3fa3 s MET 215 CO 0.11 -1.23 0.01 0.08 -0.01 0.00 0.00 175.02 173.97 3fa3 s VAL 216 N 0.82 3.50 0.89 -6.03 1.01 -1.26 -3.97 120.40 115.36 3fa3 s VAL 216 Ca 0.11 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 3fa3 s VAL 216 Cb -0.22 -2.74 0.13 0.00 0.00 0.00 0.00 36.38 33.55 3fa3 s VAL 216 CO -0.03 0.21 1.09 -1.61 0.00 0.00 0.00 175.10 174.76 3fa3 s GLU 217 N 1.44 1.28 -1.45 2.72 2.02 -1.26 -3.51 118.70 119.95 3fa3 s GLU 217 Ca 0.03 0.97 -0.08 0.00 0.02 0.00 0.00 54.97 55.90 3fa3 s GLU 217 Cb -0.16 -1.80 0.02 0.00 0.10 0.00 0.00 34.13 32.29 3fa3 s GLU 217 CO -0.01 -2.26 0.95 0.72 0.02 0.00 0.00 175.26 174.67 3fa3 n HIS 218 N -3.92 -2.48 -3.12 1.61 8.25 -1.26 -5.00 115.22 109.30 3fa3 n HIS 218 Ca 0.08 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.36 3fa3 n HIS 218 Cb 0.54 -4.64 0.00 0.00 1.12 0.00 0.00 29.99 27.01 3fa3 n HIS 218 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 219 N -1.78 5.63 0.33 -1.41 0.00 -1.23 -5.03 105.19 101.69 3fa3 n GLY 219 Ca -0.03 -1.60 0.27 0.00 0.00 0.00 0.00 46.02 44.67 3fa3 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 h ALA 220 N 1.00 2.02 -2.68 4.61 0.00 -1.88 -3.39 119.26 118.95 3fa3 h ALA 220 Ca 0.00 0.23 -0.59 0.00 0.00 0.00 0.00 54.91 54.55 3fa3 h ALA 220 Cb 0.00 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 3fa3 h ALA 220 CO 0.00 -0.74 0.02 0.99 0.00 0.00 0.00 179.25 179.52 3fa3 s THR 221 N -5.61 5.08 0.78 0.00 2.01 -1.12 -4.34 115.64 112.43 3fa3 s THR 221 Ca -0.10 1.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.86 3fa3 s THR 221 Cb 0.32 -3.89 0.06 0.00 0.01 0.00 0.00 72.50 69.00 3fa3 s THR 221 CO 0.78 0.17 1.10 -2.16 -0.69 0.00 0.00 174.62 173.83 3fa3 s PRO 222 N 1.61 2.16 -0.47 4.92 0.04 -1.26 -4.68 135.00 137.31 3fa3 s PRO 222 Ca 0.27 1.26 -0.26 0.00 0.04 0.00 0.00 61.00 62.31 3fa3 s PRO 222 Cb -0.16 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.53 3fa3 s PRO 222 CO 0.10 -1.73 0.95 -1.54 0.04 0.00 0.00 177.00 174.82 3fa3 s SER 223 N -3.17 6.49 -0.17 6.66 1.04 -1.26 -5.00 113.70 118.29 3fa3 s SER 223 Ca 0.63 0.10 -0.06 0.00 0.48 0.00 0.00 55.95 57.11 3fa3 s SER 223 Cb -0.19 -2.46 -0.03 0.00 0.10 0.00 0.00 66.02 63.44 3fa3 s SER 223 CO 0.54 -1.09 0.02 -0.63 0.98 0.00 0.00 173.24 173.06 3fa3 s ILE 224 N 3.84 4.37 0.54 -1.02 1.01 -1.26 -5.12 121.20 123.56 3fa3 s ILE 224 Ca 0.37 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.78 3fa3 s ILE 224 Cb -0.10 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 3fa3 s ILE 224 CO 0.26 0.47 0.86 -0.94 0.00 0.00 0.00 174.94 175.59 3fa3 s SER 225 N 0.40 6.01 0.00 3.58 1.04 -1.26 -4.87 113.70 118.60 3fa3 s SER 225 Ca -0.00 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.34 3fa3 s SER 225 Cb -0.13 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.91 3fa3 s SER 225 CO 0.01 -0.79 0.96 0.00 0.98 0.00 0.00 173.24 174.40 3fa3 n ALA 226 N -2.44 -0.19 -0.30 5.32 0.00 -1.26 -0.06 120.51 121.58 3fa3 n ALA 226 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.58 3fa3 n ALA 226 Cb 0.56 0.27 0.23 0.00 0.00 0.00 0.00 19.45 20.51 3fa3 n ALA 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 n ALA 227 N -2.41 0.40 -0.09 0.00 0.00 -1.26 0.65 120.51 117.79 3fa3 n ALA 227 Ca 0.00 0.92 -0.11 0.00 0.00 0.00 0.00 53.44 54.25 3fa3 n ALA 227 Cb 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 3fa3 n ALA 227 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fa3 h GLU 228 N 0.00 0.47 -0.71 0.00 4.81 -1.68 -2.57 114.58 114.90 3fa3 h GLU 228 Ca 0.50 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.54 3fa3 h GLU 228 Cb 0.99 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 3fa3 h GLU 228 CO -0.81 0.62 0.27 0.00 -0.73 0.00 0.00 179.01 178.36 3fa3 h ALA 229 N 0.83 1.14 0.02 2.92 0.00 0.39 -1.84 119.26 122.71 3fa3 h ALA 229 Ca 0.08 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3fa3 h ALA 229 Cb 0.40 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3fa3 h ALA 229 CO 0.01 0.61 -0.14 -0.22 0.00 0.00 0.00 179.25 179.52 3fa3 h LYS 230 N 1.03 -0.24 0.00 0.00 3.64 -0.94 -2.05 116.57 118.01 3fa3 h LYS 230 Ca 0.24 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3fa3 h LYS 230 Cb 0.22 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3fa3 h LYS 230 CO -0.02 -0.16 0.00 0.93 -2.27 0.00 0.00 179.45 177.93 3fa3 h GLU 231 N -0.25 0.00 0.05 1.90 5.08 -0.96 -2.58 114.58 117.82 3fa3 h GLU 231 Ca 0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 3fa3 h GLU 231 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3fa3 h GLU 231 CO -0.12 0.00 -0.52 0.52 -1.00 0.00 0.00 179.01 177.89 3fa3 h MET 232 N 0.00 0.10 0.00 2.33 2.86 -0.66 -3.49 114.93 116.07 3fa3 h MET 232 Ca 0.00 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3fa3 h MET 232 Cb 0.02 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3fa3 h MET 232 CO 0.00 1.08 0.00 0.41 1.06 0.00 0.00 176.91 179.46 3fa3 n GLY 233 N 1.61 -0.72 3.82 8.32 0.00 -0.97 -5.01 105.19 112.24 3fa3 n GLY 233 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 3fa3 n GLY 233 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa3 s PHE 234 N 0.00 3.20 -0.18 1.61 0.40 -1.04 -4.73 117.98 117.24 3fa3 s PHE 234 Ca 0.00 1.48 0.06 0.00 -0.60 0.00 0.00 56.93 57.87 3fa3 s PHE 234 Cb 0.00 -2.91 -0.15 0.00 0.51 0.00 0.00 43.02 40.48 3fa3 s PHE 234 CO 0.00 -0.81 -0.09 0.54 0.70 0.00 0.00 175.22 175.56 3fa3 n ARG 235 N -1.92 0.85 -4.19 0.44 5.12 -0.75 -4.55 116.66 111.66 3fa3 n ARG 235 Ca 0.08 0.07 -0.17 0.00 -1.93 0.00 0.00 57.85 55.90 3fa3 n ARG 235 Cb 0.53 -1.38 -0.11 0.00 -1.16 0.00 0.00 32.46 30.34 3fa3 n ARG 235 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3fa3 s ILE 236 N -2.38 1.09 -0.05 0.55 1.09 -1.08 0.73 121.20 121.16 3fa3 s ILE 236 Ca -0.20 -1.53 0.02 0.00 -1.10 0.00 0.00 60.65 57.84 3fa3 s ILE 236 Cb 0.06 -1.29 0.01 0.00 -1.06 0.00 0.00 42.46 40.19 3fa3 s ILE 236 CO 0.50 -0.41 -0.09 -0.51 -0.10 0.00 0.00 174.94 174.33 3fa3 s ILE 237 N -1.94 0.86 0.14 2.92 2.07 -0.19 -1.65 121.20 123.40 3fa3 s ILE 237 Ca 0.03 -0.34 0.08 0.00 -1.41 0.00 0.00 60.65 59.01 3fa3 s ILE 237 Cb -0.06 -0.80 -0.04 0.00 0.13 0.00 0.00 42.46 41.69 3fa3 s ILE 237 CO 0.02 0.28 -0.09 0.27 -1.91 0.00 0.00 174.94 173.51 3fa3 s ILE 238 N 0.57 3.32 -0.56 2.00 -4.36 -0.63 -2.42 121.20 119.11 3fa3 s ILE 238 Ca -0.10 -1.43 0.06 0.00 -0.26 0.00 0.00 60.65 58.92 3fa3 s ILE 238 Cb -0.13 -2.59 0.30 0.00 1.25 0.00 0.00 42.46 41.28 3fa3 s ILE 238 CO 0.02 0.01 0.81 0.49 0.24 0.00 0.00 174.94 176.51 3fa3 n PHE 239 N 0.39 3.10 0.19 1.37 3.01 -1.14 -1.02 117.46 123.35 3fa3 n PHE 239 Ca -0.12 -4.00 0.18 0.00 1.01 0.00 0.00 57.45 54.51 3fa3 n PHE 239 Cb 0.54 -0.50 0.74 0.00 -0.01 0.00 0.00 39.48 40.25 3fa3 n PHE 239 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3fa3 h PRO 240 N 3.54 0.00 0.00 -1.08 0.11 -1.87 0.16 132.00 132.86 3fa3 h PRO 240 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3fa3 h PRO 240 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3fa3 h PRO 240 CO 0.76 0.00 -1.52 0.34 -0.21 0.00 0.00 178.00 177.37 3fa3 n PHE 241 N -3.32 0.03 0.00 0.65 7.35 -1.26 -4.18 117.46 116.72 3fa3 n PHE 241 Ca 0.04 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 3fa3 n PHE 241 Cb 0.57 -0.30 0.00 0.00 0.35 0.00 0.00 39.48 40.10 3fa3 n PHE 241 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3fa3 n ALA 242 N -1.92 0.00 -0.07 3.13 0.00 0.44 -2.00 120.51 120.09 3fa3 n ALA 242 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3fa3 n ALA 242 Cb 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 3fa3 n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 n ALA 243 N -2.25 1.69 -0.12 0.00 0.00 -1.15 -4.59 120.51 114.09 3fa3 n ALA 243 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 53.44 52.58 3fa3 n ALA 243 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 3fa3 n ALA 243 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fa3 h LEU 244 N 0.00 0.54 0.16 0.00 3.38 -1.67 -1.94 115.31 115.77 3fa3 h LEU 244 Ca -0.34 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.38 3fa3 h LEU 244 Cb 1.68 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 3fa3 h LEU 244 CO -0.01 0.65 -0.31 1.23 0.09 0.00 0.00 178.44 180.09 3fa3 h GLY 245 N 0.40 -1.13 0.03 0.83 0.00 -1.77 0.10 103.07 101.54 3fa3 h GLY 245 Ca 0.11 0.55 0.06 0.00 0.00 0.00 0.00 47.33 48.05 3fa3 h GLY 245 CO 0.00 -0.34 -0.31 -2.55 0.00 0.00 0.00 176.54 173.35 3fa3 h PRO 246 N -0.51 -0.30 -0.83 4.80 0.11 -1.81 -2.06 132.00 131.39 3fa3 h PRO 246 Ca -0.02 0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.31 3fa3 h PRO 246 Cb 0.48 0.07 -0.13 0.00 0.11 0.00 0.00 31.00 31.54 3fa3 h PRO 246 CO -0.12 -0.20 0.25 0.00 -0.21 0.00 0.00 178.00 177.72 3fa3 h ALA 247 N 0.62 1.19 0.03 -0.75 0.00 -1.24 0.32 119.26 119.43 3fa3 h ALA 247 Ca 0.13 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3fa3 h ALA 247 Cb 0.53 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3fa3 h ALA 247 CO -0.43 -0.38 -0.01 0.28 0.00 0.00 0.00 179.25 178.71 3fa3 h VAL 248 N 0.28 1.35 -0.97 0.00 2.07 -0.19 -1.69 116.25 117.10 3fa3 h VAL 248 Ca 0.50 -1.25 0.08 0.00 0.82 0.00 0.00 66.70 66.85 3fa3 h VAL 248 Cb 0.94 2.17 -0.07 0.00 -1.52 0.00 0.00 31.29 32.81 3fa3 h VAL 248 CO -0.57 0.32 0.61 0.00 0.02 0.00 0.00 177.57 177.95 3fa3 h ALA 249 N 0.34 1.37 -0.19 1.67 0.00 -1.07 -0.03 119.26 121.35 3fa3 h ALA 249 Ca -0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3fa3 h ALA 249 Cb 0.55 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3fa3 h ALA 249 CO 0.01 0.34 -0.30 0.00 0.00 0.00 0.00 179.25 179.29 3fa3 h ALA 250 N 1.47 0.30 -0.16 0.00 0.00 -0.90 -1.18 119.26 118.79 3fa3 h ALA 250 Ca 0.44 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3fa3 h ALA 250 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3fa3 h ALA 250 CO -0.20 0.32 -0.25 0.52 0.00 0.00 0.00 179.25 179.64 3fa3 h MET 251 N 0.21 0.28 -0.11 0.00 2.86 -1.11 0.45 114.93 117.52 3fa3 h MET 251 Ca 0.02 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3fa3 h MET 251 Cb 0.89 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 3fa3 h MET 251 CO 0.07 0.52 0.07 -0.09 1.06 0.00 0.00 176.91 178.54 3fa3 h ARG 252 N 0.25 0.15 0.01 1.72 2.43 -0.73 0.43 114.38 118.64 3fa3 h ARG 252 Ca 0.04 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 3fa3 h ARG 252 Cb 0.58 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3fa3 h ARG 252 CO 0.04 0.11 -0.67 0.93 -1.51 0.00 0.00 179.97 178.87 3fa3 h GLU 253 N 0.14 0.44 -0.92 0.20 5.08 -0.68 -2.59 114.58 116.24 3fa3 h GLU 253 Ca 0.04 -0.48 0.15 0.00 -1.00 0.00 0.00 59.36 58.07 3fa3 h GLU 253 Cb 0.00 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.30 3fa3 h GLU 253 CO -0.01 1.14 0.53 0.00 -1.00 0.00 0.00 179.01 179.67 3fa3 h ALA 254 N 0.32 1.43 -0.02 3.43 0.00 0.00 -1.95 119.26 122.47 3fa3 h ALA 254 Ca -0.09 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 3fa3 h ALA 254 Cb 1.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3fa3 h ALA 254 CO 0.13 -0.00 -0.90 0.52 0.00 0.00 0.00 179.25 179.00 3fa3 h MET 255 N 0.75 0.45 0.25 0.00 2.86 -0.76 -1.45 114.93 117.03 3fa3 h MET 255 Ca 0.50 -0.46 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3fa3 h MET 255 Cb 0.67 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 3fa3 h MET 255 CO -0.34 1.11 -0.16 0.93 1.06 0.00 0.00 176.91 179.51 3fa3 h GLU 256 N 0.27 -0.39 -0.68 1.72 4.39 -1.25 -2.19 114.58 116.46 3fa3 h GLU 256 Ca -0.07 0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.76 3fa3 h GLU 256 Cb 1.53 0.09 -0.12 0.00 -0.10 0.00 0.00 28.75 30.14 3fa3 h GLU 256 CO 0.16 -0.26 -0.38 0.87 -1.16 0.00 0.00 179.01 178.24 3fa3 h LYS 257 N -0.40 -0.14 0.45 2.33 1.57 -1.27 0.51 116.57 119.62 3fa3 h LYS 257 Ca -0.02 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3fa3 h LYS 257 Cb 0.34 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3fa3 h LYS 257 CO 0.02 -0.09 -0.37 1.25 -0.57 0.00 0.00 179.45 179.68 3fa3 h LEU 258 N -0.15 -0.99 -0.89 2.94 5.85 -1.22 1.65 115.31 122.51 3fa3 h LEU 258 Ca 0.24 0.08 0.24 0.00 0.84 0.00 0.00 57.88 59.27 3fa3 h LEU 258 Cb 0.56 0.32 -0.15 0.00 0.37 0.00 0.00 40.66 41.76 3fa3 h LEU 258 CO -0.75 -0.54 0.19 0.50 -0.34 0.00 0.00 178.44 177.51 3fa3 h LYS 259 N -0.82 0.16 -0.07 1.25 1.63 -0.92 0.90 116.57 118.69 3fa3 h LYS 259 Ca -0.04 -0.01 -0.24 0.00 -0.85 0.00 0.00 60.65 59.51 3fa3 h LYS 259 Cb 0.71 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 32.32 3fa3 h LYS 259 CO -0.02 0.10 -0.91 -0.09 -3.45 0.00 0.00 179.45 175.08 3fa3 h ARG 260 N 0.16 0.71 0.00 1.90 2.43 0.92 -3.39 114.38 117.12 3fa3 h ARG 260 Ca 0.56 -0.67 -0.36 0.00 -0.81 0.00 0.00 59.98 58.70 3fa3 h ARG 260 Cb 1.13 0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 30.78 3fa3 h ARG 260 CO -0.70 1.27 -2.29 -0.25 -1.51 0.00 0.00 179.97 176.49 3fa3 n ASP 261 N -3.88 0.22 0.00 -3.80 8.00 0.55 -5.01 116.55 112.64 3fa3 n ASP 261 Ca -0.09 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.47 3fa3 n ASP 261 Cb 0.82 0.78 0.00 0.00 -0.02 0.00 0.00 41.12 42.69 3fa3 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fa3 n GLY 262 N 1.74 0.51 3.64 0.44 0.00 0.30 -4.99 105.19 106.83 3fa3 n GLY 262 Ca -0.31 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 3fa3 n GLY 262 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fa3 s ILE 263 N -2.00 0.00 0.26 -0.61 2.07 -1.26 -5.07 121.20 114.59 3fa3 s ILE 263 Ca 0.00 0.00 0.17 0.00 -1.41 0.00 0.00 60.65 59.41 3fa3 s ILE 263 Cb 0.00 -1.00 0.13 0.00 0.13 0.00 0.00 42.46 41.72 3fa3 s ILE 263 CO 0.00 0.00 1.79 -0.65 -1.91 0.00 0.00 174.94 174.17 3fa3 h PRO 264 N 4.92 0.00 -2.90 3.50 0.11 -1.93 -3.42 132.00 132.29 3fa3 h PRO 264 Ca -0.28 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.45 3fa3 h PRO 264 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fa3 h PRO 264 CO 0.12 0.37 -0.49 0.41 -0.21 0.00 0.00 178.00 178.20 3fa3 n GLY 265 N -0.05 -0.40 3.44 -0.55 0.00 -1.26 -4.81 105.19 101.56 3fa3 n GLY 265 Ca -0.01 -0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 3fa3 n GLY 265 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fa3 n LEU 266 N -2.84 -0.52 -4.93 0.99 4.77 -1.26 -4.98 117.00 108.23 3fa3 n LEU 266 Ca -0.20 0.99 -0.25 0.00 -0.03 0.00 0.00 56.01 56.52 3fa3 n LEU 266 Cb 0.66 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3fa3 n LEU 266 CO 0.29 -2.89 0.32 1.51 -1.33 0.00 0.00 177.39 175.29 3fa3 s ASP 267 N -0.91 6.11 -0.03 -1.43 1.47 -1.26 -4.96 116.67 115.67 3fa3 s ASP 267 Ca 0.62 0.59 0.06 0.00 1.18 0.00 0.00 52.55 55.00 3fa3 s ASP 267 Cb -0.71 -1.95 0.20 0.00 -0.34 0.00 0.00 42.92 40.12 3fa3 s ASP 267 CO 0.59 -0.56 1.04 2.29 0.68 0.00 0.00 175.17 179.21 3fa3 n LYS 268 N -2.09 1.72 -0.07 2.11 2.85 -1.26 -1.67 118.16 119.75 3fa3 n LYS 268 Ca -0.01 -0.81 -0.12 0.00 -1.05 0.00 0.00 58.31 56.32 3fa3 n LYS 268 Cb 0.56 -1.37 -0.06 0.00 -0.65 0.00 0.00 35.03 33.51 3fa3 n LYS 268 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 3fa3 h GLU 269 N 1.20 0.42 -4.23 -1.58 4.81 -2.04 -3.37 114.58 109.79 3fa3 h GLU 269 Ca 0.00 -0.19 -0.60 0.00 -0.13 0.00 0.00 59.36 58.43 3fa3 h GLU 269 Cb 0.52 -0.01 0.04 0.00 0.63 0.00 0.00 28.75 29.93 3fa3 h GLU 269 CO 0.05 0.73 2.43 -1.33 -0.73 0.00 0.00 179.01 180.16 3fa3 n MET 270 N -4.54 1.72 -2.62 1.92 2.81 -0.67 -4.74 117.12 111.00 3fa3 n MET 270 Ca -0.05 -1.82 -0.34 0.00 -1.81 0.00 0.00 57.70 53.68 3fa3 n MET 270 Cb 0.34 -2.85 -0.04 0.00 -0.71 0.00 0.00 33.22 29.95 3fa3 n MET 270 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 3fa3 s THR 271 N 4.55 3.95 0.33 2.03 -1.32 -1.26 -4.86 115.64 119.05 3fa3 s THR 271 Ca 0.53 1.24 0.10 0.00 -1.21 0.00 0.00 61.69 62.35 3fa3 s THR 271 Cb 0.14 -3.51 0.32 0.00 -1.51 0.00 0.00 72.50 67.94 3fa3 s THR 271 CO 0.07 -0.24 1.74 -0.65 -2.21 0.00 0.00 174.62 173.33 3fa3 h PRO 272 N 1.74 0.56 0.33 7.08 0.11 -1.98 0.18 132.00 140.01 3fa3 h PRO 272 Ca -0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3fa3 h PRO 272 Cb 1.21 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3fa3 h PRO 272 CO 0.60 0.37 -0.20 1.96 -0.21 0.00 0.00 178.00 180.52 3fa3 h GLN 273 N 0.57 -0.49 -0.82 1.05 7.50 -1.92 -1.65 115.11 119.35 3fa3 h GLN 273 Ca 0.63 0.03 0.07 0.00 0.50 0.00 0.00 58.65 59.89 3fa3 h GLN 273 Cb 1.24 0.11 -0.07 0.00 0.05 0.00 0.00 27.48 28.81 3fa3 h GLN 273 CO -0.45 -0.32 0.49 1.98 -1.50 0.00 0.00 178.83 179.03 3fa3 h MET 274 N -0.50 0.84 -0.23 1.46 4.05 -1.15 0.18 114.93 119.57 3fa3 h MET 274 Ca -0.03 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.26 3fa3 h MET 274 Cb 0.42 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 3fa3 h MET 274 CO 0.04 0.56 -0.13 -0.07 0.23 0.00 0.00 176.91 177.53 3fa3 h LEU 275 N 0.86 0.52 -0.90 3.39 3.38 -0.60 -2.49 115.31 119.48 3fa3 h LEU 275 Ca 0.37 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3fa3 h LEU 275 Cb 0.25 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 3fa3 h LEU 275 CO -0.20 0.83 0.55 -0.26 0.09 0.00 0.00 178.44 179.45 3fa3 h PHE 276 N 0.21 1.02 -0.97 1.13 0.05 -0.80 -2.69 116.94 114.89 3fa3 h PHE 276 Ca 0.05 0.03 0.12 0.00 3.82 0.00 0.00 57.97 61.99 3fa3 h PHE 276 Cb 0.64 -0.32 -0.08 0.00 2.00 0.00 0.00 35.95 38.18 3fa3 h PHE 276 CO 0.07 0.48 0.60 0.00 -0.18 0.00 0.00 178.31 179.27 3fa3 h ARG 277 N 0.97 0.92 -0.69 1.51 3.08 -0.20 0.38 114.38 120.35 3fa3 h ARG 277 Ca 0.41 -0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.55 3fa3 h ARG 277 Cb 0.27 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3fa3 h ARG 277 CO -0.21 0.61 0.47 0.28 -1.07 0.00 0.00 179.97 180.05 3fa3 h VAL 278 N 0.95 0.79 -0.61 2.04 2.07 -1.23 -0.57 116.25 119.70 3fa3 h VAL 278 Ca 0.48 -0.11 -0.14 0.00 0.82 0.00 0.00 66.70 67.74 3fa3 h VAL 278 Cb 0.47 0.43 -0.09 0.00 -1.52 0.00 0.00 31.29 30.59 3fa3 h VAL 278 CO -0.27 0.06 0.16 0.00 0.02 0.00 0.00 177.57 177.54 3fa3 n GLY 280 N -0.16 0.70 0.32 0.00 0.00 -0.22 -4.94 105.19 100.90 3fa3 n GLY 280 Ca 0.35 -0.51 0.21 0.00 0.00 0.00 0.00 46.02 46.07 3fa3 n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fa3 h LEU 281 N 0.00 0.12 -0.05 0.99 5.85 -1.50 -1.04 115.31 119.68 3fa3 h LEU 281 Ca 0.00 0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 3fa3 h LEU 281 Cb 0.00 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3fa3 h LEU 281 CO 0.00 -0.26 -0.31 0.44 -0.34 0.00 0.00 178.44 177.97 3fa3 h ASP 282 N 0.15 0.36 0.12 1.25 3.32 -1.87 -0.39 116.42 119.35 3fa3 h ASP 282 Ca 0.68 -0.68 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3fa3 h ASP 282 Cb 1.56 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 41.00 3fa3 h ASP 282 CO -0.72 0.98 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.36 3fa3 h GLU 283 N -0.24 0.00 0.54 3.56 3.07 -1.85 0.88 114.58 120.54 3fa3 h GLU 283 Ca -0.03 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 3fa3 h GLU 283 Cb 0.98 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.90 3fa3 h GLU 283 CO 0.06 0.09 -0.26 0.77 -1.40 0.00 0.00 179.01 178.27 3fa3 h SER 284 N 0.00 -0.61 -0.00 1.42 0.02 -1.20 -2.84 113.55 110.33 3fa3 h SER 284 Ca -0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3fa3 h SER 284 Cb 0.17 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 3fa3 h SER 284 CO 0.01 -0.22 0.01 0.24 -1.14 0.00 0.00 176.83 175.73 3fa3 h MET 285 N -1.10 0.00 0.09 3.45 2.86 0.07 -2.55 114.93 117.75 3fa3 h MET 285 Ca -0.07 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.24 3fa3 h MET 285 Cb 0.61 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 3fa3 h MET 285 CO 0.12 0.00 -1.81 1.57 1.06 0.00 0.00 176.91 177.85 3fa3 h LYS 286 N 0.00 0.19 -0.97 1.72 2.10 -0.94 -2.91 116.57 115.75 3fa3 h LYS 286 Ca 0.00 -0.32 0.28 0.00 -2.00 0.00 0.00 60.65 58.62 3fa3 h LYS 286 Cb 0.02 0.12 -0.18 0.00 -0.90 0.00 0.00 32.23 31.29 3fa3 h LYS 286 CO -0.00 0.98 0.08 0.28 -2.00 0.00 0.00 179.45 178.79 3fa3 n VAL 287 N -3.35 -0.41 0.03 0.07 0.31 -0.98 -1.24 118.33 112.77 3fa3 n VAL 287 Ca -0.24 2.12 -0.19 0.00 -0.01 0.00 0.00 64.34 66.02 3fa3 n VAL 287 Cb 1.05 -3.13 -0.12 0.00 -0.91 0.00 0.00 33.84 30.72 3fa3 n VAL 287 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 3fa3 h ASP 288 N 0.00 0.61 0.04 4.52 1.82 -1.53 -2.58 116.42 119.30 3fa3 h ASP 288 Ca 0.62 -0.81 -0.04 0.00 -0.39 0.00 0.00 57.03 56.40 3fa3 h ASP 288 Cb 1.33 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 3fa3 h ASP 288 CO -0.90 1.35 -0.11 0.00 -1.61 0.00 0.00 179.24 177.98 3fa3 h ALA 289 N 0.26 1.61 0.00 -0.78 0.00 -1.50 0.51 119.26 119.36 3fa3 h ALA 289 Ca -0.11 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 3fa3 h ALA 289 Cb 1.53 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 3fa3 h ALA 289 CO 0.15 0.29 -0.78 1.96 0.00 0.00 0.00 179.25 180.87 3fa3 h GLN 290 N 0.16 0.00 -0.08 0.00 4.20 -1.22 -3.01 115.11 115.16 3fa3 h GLN 290 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3fa3 h GLN 290 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3fa3 h GLN 290 CO 0.02 0.78 0.00 0.00 -0.67 0.00 0.00 178.83 178.96 3fa3 n ALA 291 N -2.38 2.55 -1.01 3.87 0.00 -0.97 -4.90 120.51 117.67 3fa3 n ALA 291 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3fa3 n ALA 291 Cb 0.77 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3fa3 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 292 N 0.89 1.13 3.92 0.00 0.00 -1.14 -5.10 105.19 104.90 3fa3 n GLY 292 Ca 0.13 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 3fa3 n GLY 292 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fa3 s GLY 293 N -2.46 1.50 -0.07 -0.02 0.00 0.18 -4.99 107.32 101.46 3fa3 s GLY 293 Ca 0.00 -0.68 0.10 0.00 0.00 0.00 0.00 44.72 44.14 3fa3 s GLY 293 CO 0.00 -0.57 1.14 0.00 0.00 0.00 0.00 173.10 173.67 3fa3 n ALA 294 N -1.81 2.24 0.20 3.20 0.00 -1.26 -4.43 120.51 118.65 3fa3 n ALA 294 Ca -0.02 -1.77 0.08 0.00 0.00 0.00 0.00 53.44 51.73 3fa3 n ALA 294 Cb 0.55 -0.28 0.32 0.00 0.00 0.00 0.00 19.45 20.04 3fa3 n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 h ALA 295 N 0.49 0.93 -0.39 0.00 0.00 -1.95 -3.31 119.26 115.02 3fa3 h ALA 295 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 54.91 54.35 3fa3 h ALA 295 Cb 0.83 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 18.29 3fa3 h ALA 295 CO 0.03 0.36 -0.78 1.19 0.00 0.00 0.00 179.25 180.04 3fa3 n PHE 296 N -3.33 1.40 -1.84 0.00 3.01 -1.26 -5.05 117.46 110.39 3fa3 n PHE 296 Ca 0.01 -1.81 -0.42 0.00 1.01 0.00 0.00 57.45 56.24 3fa3 n PHE 296 Cb 0.52 -0.28 -0.03 0.00 -0.01 0.00 0.00 39.48 39.68 3fa3 n PHE 296 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3fa3 s ASP 297 N -3.36 6.51 -1.66 4.37 -0.00 -1.25 -0.86 116.67 120.42 3fa3 s ASP 297 Ca 0.42 2.67 -0.17 0.00 -0.00 0.00 0.00 52.55 55.47 3fa3 s ASP 297 Cb 0.38 -2.58 0.14 0.00 -0.00 0.00 0.00 42.92 40.86 3fa3 s ASP 297 CO -0.03 -0.91 0.83 0.61 -0.00 0.00 0.00 175.17 175.67 3fa3 n GLY 298 N 3.97 -0.45 7.00 0.21 0.00 -1.26 -4.90 105.19 109.76 3fa3 n GLY 298 Ca 0.16 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3fa3 n GLY 298 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 299 N -1.47 -1.43 2.61 -0.02 0.00 -0.04 -4.71 105.19 100.13 3fa3 n GLY 299 Ca 0.06 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 3fa3 n GLY 299 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fa3 n VAL 300 N -0.43 1.45 -3.90 1.61 0.24 -1.26 -4.92 118.33 111.13 3fa3 n VAL 300 Ca 0.00 -3.52 -0.13 0.00 -2.04 0.00 0.00 64.34 58.66 3fa3 n VAL 300 Cb 0.00 0.24 -0.14 0.00 -1.47 0.00 0.00 33.84 32.47 3fa3 n VAL 300 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3fa3 s ASP 301 N -3.38 0.07 0.00 -1.34 -0.00 -1.26 -4.94 116.67 105.82 3fa3 s ASP 301 Ca 0.33 -0.01 0.29 0.00 -0.00 0.00 0.00 52.55 53.17 3fa3 s ASP 301 Cb 0.42 -0.01 1.28 0.00 -0.00 0.00 0.00 42.92 44.61 3fa3 s ASP 301 CO -0.02 0.00 1.88 0.18 -0.00 0.00 0.00 175.17 177.20