#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa3 s MET 3 N 0.00 3.39 -0.28 -0.52 -1.94 -1.26 -5.04 119.30 113.65 3fa3 s MET 3 Ca 0.00 1.47 -0.02 0.00 -1.71 0.00 0.00 55.69 55.43 3fa3 s MET 3 Cb 0.00 -2.02 0.04 0.00 2.01 0.00 0.00 34.83 34.85 3fa3 s MET 3 CO 0.00 -0.79 -0.01 0.08 -0.01 0.00 0.00 175.02 174.29 3fa3 s VAL 4 N -1.98 3.07 0.20 -6.03 1.01 -1.26 -5.11 120.40 110.30 3fa3 s VAL 4 Ca 0.70 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 3fa3 s VAL 4 Cb -0.21 -2.68 -0.08 0.00 0.00 0.00 0.00 36.38 33.42 3fa3 s VAL 4 CO 0.28 0.02 1.00 0.28 0.00 0.00 0.00 175.10 176.67 3fa3 s THR 5 N 1.31 4.07 0.24 3.92 -1.32 -1.26 -4.92 115.64 117.67 3fa3 s THR 5 Ca -0.02 1.91 0.36 0.00 -1.21 0.00 0.00 61.69 62.73 3fa3 s THR 5 Cb -0.18 -4.22 0.37 0.00 -1.51 0.00 0.00 72.50 66.96 3fa3 s THR 5 CO -0.02 0.39 2.08 0.00 -2.21 0.00 0.00 174.62 174.86 3fa3 h ALA 6 N 4.67 1.00 0.00 11.08 0.00 -1.76 -2.31 119.26 131.94 3fa3 h ALA 6 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3fa3 h ALA 6 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3fa3 h ALA 6 CO 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.94 3fa3 h ALA 7 N 2.03 1.05 0.09 0.00 0.00 -1.80 -2.51 119.26 118.12 3fa3 h ALA 7 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 3fa3 h ALA 7 Cb 0.18 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.99 3fa3 h ALA 7 CO 0.00 0.01 -0.89 1.79 0.00 0.00 0.00 179.25 180.16 3fa3 h THR 8 N 0.00 1.41 -0.10 0.00 1.35 -1.68 -2.70 112.91 111.19 3fa3 h THR 8 Ca -0.00 -2.36 -0.06 0.00 -0.55 0.00 0.00 66.41 63.43 3fa3 h THR 8 Cb 0.10 2.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.36 3fa3 h THR 8 CO 0.00 0.69 -0.23 0.28 -0.25 0.00 0.00 175.52 176.01 3fa3 h SER 9 N -0.08 0.17 0.15 5.36 0.02 -1.67 -1.76 113.55 115.74 3fa3 h SER 9 Ca -0.14 -0.04 -0.20 0.00 -0.84 0.00 0.00 61.79 60.57 3fa3 h SER 9 Cb 1.63 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.12 3fa3 h SER 9 CO 0.17 0.41 -0.77 0.25 -1.14 0.00 0.00 176.83 175.75 3fa3 h LEU 10 N 0.16 0.63 -0.02 5.07 5.85 -1.55 -2.09 115.31 123.35 3fa3 h LEU 10 Ca 0.03 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 3fa3 h LEU 10 Cb 0.50 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3fa3 h LEU 10 CO 0.03 1.18 0.01 -0.09 -0.34 0.00 0.00 178.44 179.24 3fa3 h ARG 11 N 0.35 0.03 0.00 1.25 2.43 -1.00 -0.16 114.38 117.28 3fa3 h ARG 11 Ca -0.04 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3fa3 h ARG 11 Cb 1.37 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.91 3fa3 h ARG 11 CO 0.14 0.05 -0.14 0.07 -1.51 0.00 0.00 179.97 178.58 3fa3 h ARG 12 N -0.00 0.00 -0.19 0.20 0.11 -1.45 -2.64 114.38 110.41 3fa3 h ARG 12 Ca 0.01 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.90 3fa3 h ARG 12 Cb 0.03 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.12 3fa3 h ARG 12 CO -0.00 0.14 -0.62 0.00 0.10 0.00 0.00 179.97 179.59 3fa3 h ALA 13 N 1.86 0.33 0.00 0.08 0.00 -1.15 -3.10 119.26 117.28 3fa3 h ALA 13 Ca -0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3fa3 h ALA 13 Cb 1.03 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3fa3 h ALA 13 CO 0.02 0.59 -0.15 -0.07 0.00 0.00 0.00 179.25 179.64 3fa3 h LEU 14 N 0.47 0.00 0.00 0.00 3.38 -0.85 -1.59 115.31 116.72 3fa3 h LEU 14 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3fa3 h LEU 14 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3fa3 h LEU 14 CO 0.13 0.15 0.00 -0.62 0.09 0.00 0.00 178.44 178.19 3fa3 n GLU 15 N -3.37 0.38 -3.50 1.13 1.02 -1.01 -4.44 120.64 110.85 3fa3 n GLU 15 Ca -0.00 0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.74 3fa3 n GLU 15 Cb 0.35 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.21 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 -2.58 5.96 0.57 1.62 2.47 -0.60 -5.00 114.94 117.38 3fa3 s ASN 16 Ca 0.26 -2.38 0.29 0.00 0.42 0.00 0.00 52.86 51.45 3fa3 s ASN 16 Cb 0.18 -2.05 1.00 0.00 -1.45 0.00 0.00 41.25 38.93 3fa3 s ASN 16 CO 0.42 -0.59 1.28 -2.65 -3.72 0.00 0.00 177.10 171.84 3fa3 n PRO 17 N 4.30 0.01 0.08 0.43 -0.02 -1.26 0.21 135.00 138.75 3fa3 n PRO 17 Ca 0.02 0.99 -0.04 0.00 -2.02 0.00 0.00 63.50 62.45 3fa3 n PRO 17 Cb 0.42 -2.42 0.17 0.00 -0.02 0.00 0.00 33.50 31.64 3fa3 n PRO 17 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3fa3 h ASP 18 N 0.00 0.29 -3.58 2.55 3.45 -1.94 -3.46 116.42 113.73 3fa3 h ASP 18 Ca 0.54 -0.14 -0.57 0.00 0.43 0.00 0.00 57.03 57.29 3fa3 h ASP 18 Cb 2.94 -0.08 0.16 0.00 -0.56 0.00 0.00 39.33 41.80 3fa3 h ASP 18 CO -0.01 0.74 0.12 -1.20 -1.57 0.00 0.00 179.24 177.32 3fa3 n SER 19 N -3.96 0.74 -3.53 6.45 7.64 0.13 -5.05 113.62 116.04 3fa3 n SER 19 Ca -0.02 0.80 -0.06 0.00 1.01 0.00 0.00 58.87 60.61 3fa3 n SER 19 Cb 0.54 -1.39 -0.07 0.00 -1.01 0.00 0.00 64.21 62.29 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 -1.52 -1.02 -0.39 1.43 5.36 -1.26 -4.86 117.98 115.73 3fa3 s PHE 20 Ca 0.76 1.58 -0.21 0.00 -0.96 0.00 0.00 56.93 58.10 3fa3 s PHE 20 Cb -0.41 0.39 0.01 0.00 -0.34 0.00 0.00 43.02 42.66 3fa3 s PHE 20 CO 0.47 -0.62 0.67 0.42 -1.46 0.00 0.00 175.22 174.70 3fa3 s ILE 21 N 2.69 4.83 -0.44 3.12 -1.09 0.18 -4.98 121.20 125.51 3fa3 s ILE 21 Ca 0.03 0.50 -0.20 0.00 -2.23 0.00 0.00 60.65 58.75 3fa3 s ILE 21 Cb -0.13 -4.15 0.03 0.00 -1.58 0.00 0.00 42.46 36.63 3fa3 s ILE 21 CO -0.16 -0.43 0.59 -0.69 -1.23 0.00 0.00 174.94 173.02 3fa3 s VAL 22 N 2.84 4.90 -0.35 2.92 1.01 -1.26 -1.03 120.40 129.43 3fa3 s VAL 22 Ca 0.25 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.17 3fa3 s VAL 22 Cb -0.14 -4.18 0.10 0.00 0.00 0.00 0.00 36.38 32.17 3fa3 s VAL 22 CO 0.17 -0.58 0.09 0.00 0.00 0.00 0.00 175.10 174.77 3fa3 s ALA 23 N 2.62 2.50 0.13 5.51 0.00 -0.28 -4.08 121.76 128.16 3fa3 s ALA 23 Ca 0.19 -2.35 -0.31 0.00 0.00 0.00 0.00 51.96 49.49 3fa3 s ALA 23 Cb -0.16 -1.88 -0.09 0.00 0.00 0.00 0.00 23.12 20.99 3fa3 s ALA 23 CO 0.17 -1.73 1.53 -1.25 0.00 0.00 0.00 175.76 174.48 3fa3 s PRO 24 N 0.99 4.24 -0.27 0.00 0.04 -1.26 -2.50 135.00 136.25 3fa3 s PRO 24 Ca 0.11 2.27 -0.28 0.00 0.04 0.00 0.00 61.00 63.14 3fa3 s PRO 24 Cb -0.19 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 3fa3 s PRO 24 CO -0.12 -0.58 2.19 0.20 0.04 0.00 0.00 177.00 178.73 3fa3 s GLY 25 N 1.37 0.42 0.26 0.56 0.00 -0.06 -1.74 107.32 108.13 3fa3 s GLY 25 Ca 0.69 0.61 0.06 0.00 0.00 0.00 0.00 44.72 46.09 3fa3 s GLY 25 CO 0.31 3.78 0.28 0.14 0.00 0.00 0.00 173.10 177.62 3fa3 s VAL 26 N 8.65 4.62 0.00 1.40 1.01 0.67 -3.35 120.40 133.40 3fa3 s VAL 26 Ca 0.98 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3fa3 s VAL 26 Cb -0.30 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3fa3 s VAL 26 CO 0.34 -0.31 0.00 0.00 0.00 0.00 0.00 175.10 175.12 3fa3 n TYR 27 N -1.31 0.00 -3.05 5.22 4.11 -1.26 -2.44 117.16 118.43 3fa3 n TYR 27 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.83 3fa3 n TYR 27 Cb 0.58 0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.93 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 0.00 9.48 3.85 -1.26 -4.53 116.55 124.09 3fa3 n ASP 28 Ca 0.00 -0.61 0.00 0.00 -0.71 0.00 0.00 54.79 53.47 3fa3 n ASP 28 Cb 0.17 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.94 3fa3 n ASP 28 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3fa3 n GLY 29 N 0.00 -2.70 0.35 6.12 0.00 -1.26 -3.10 105.19 104.59 3fa3 n GLY 29 Ca 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 3fa3 n GLY 29 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fa3 h LEU 30 N 0.00 -1.17 -1.41 0.99 3.38 -1.99 -1.79 115.31 113.32 3fa3 h LEU 30 Ca 0.00 0.22 0.16 0.00 0.09 0.00 0.00 57.88 58.35 3fa3 h LEU 30 Cb 0.00 0.57 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 3fa3 h LEU 30 CO 0.00 -0.31 0.56 0.77 0.09 0.00 0.00 178.44 179.54 3fa3 h SER 31 N -0.20 0.53 -0.08 -0.43 4.64 -1.97 -0.12 113.55 115.93 3fa3 h SER 31 Ca 0.21 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 3fa3 h SER 31 Cb 0.55 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3fa3 h SER 31 CO -0.64 0.26 -0.00 0.00 -0.87 0.00 0.00 176.83 175.58 3fa3 h ALA 32 N 1.62 0.11 -0.65 5.18 0.00 -1.27 -2.36 119.26 121.88 3fa3 h ALA 32 Ca 0.43 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3fa3 h ALA 32 Cb 0.84 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3fa3 h ALA 32 CO -0.18 -0.21 0.43 0.00 0.00 0.00 0.00 179.25 179.29 3fa3 h ARG 33 N -0.15 0.83 0.38 0.00 2.47 -0.61 0.67 114.38 117.98 3fa3 h ARG 33 Ca 0.02 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 3fa3 h ARG 33 Cb 0.35 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 3fa3 h ARG 33 CO 0.00 0.55 -0.22 0.28 0.56 0.00 0.00 179.97 181.15 3fa3 h VAL 34 N 0.86 0.00 -0.75 2.04 2.07 -1.41 0.13 116.25 119.19 3fa3 h VAL 34 Ca 0.25 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.83 3fa3 h VAL 34 Cb -0.07 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.61 3fa3 h VAL 34 CO -0.07 0.00 -0.44 0.00 0.02 0.00 0.00 177.57 177.08 3fa3 n ALA 35 N -2.35 -0.48 -0.02 1.67 0.00 -0.89 0.34 120.51 118.78 3fa3 n ALA 35 Ca -0.07 0.64 -0.13 0.00 0.00 0.00 0.00 53.44 53.88 3fa3 n ALA 35 Cb 0.23 -0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 3fa3 n ALA 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fa3 h LEU 36 N 0.00 -1.44 -2.11 0.00 4.07 -0.93 -1.16 115.31 113.74 3fa3 h LEU 36 Ca 0.12 0.19 0.09 0.00 0.08 0.00 0.00 57.88 58.36 3fa3 h LEU 36 Cb 0.31 0.59 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 3fa3 h LEU 36 CO -0.70 -0.43 0.29 -1.28 -1.08 0.00 0.00 178.44 175.23 3fa3 h SER 37 N -0.49 0.00 0.01 -0.43 0.87 0.14 0.17 113.55 113.82 3fa3 h SER 37 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3fa3 h SER 37 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3fa3 h SER 37 CO -0.43 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 175.87 3fa3 n ALA 38 N -2.40 2.49 0.00 6.23 0.00 0.15 -4.92 120.51 122.07 3fa3 n ALA 38 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3fa3 n ALA 38 Cb 0.45 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.69 0.21 3.78 0.00 0.00 0.60 -5.08 105.19 105.38 3fa3 n GLY 39 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 2.60 -2.05 1.61 0.40 -1.24 -4.95 117.98 112.35 3fa3 s PHE 40 Ca 0.00 1.11 0.26 0.00 -0.60 0.00 0.00 56.93 57.71 3fa3 s PHE 40 Cb 0.00 -4.04 0.75 0.00 0.51 0.00 0.00 43.02 40.25 3fa3 s PHE 40 CO 0.00 -3.09 1.57 -0.25 0.70 0.00 0.00 175.22 174.14 3fa3 n ASP 41 N 0.66 1.34 -3.60 1.36 8.00 -1.26 -4.75 116.55 118.30 3fa3 n ASP 41 Ca 0.02 -1.17 -0.16 0.00 0.71 0.00 0.00 54.79 54.19 3fa3 n ASP 41 Cb 0.39 0.12 -0.07 0.00 -0.02 0.00 0.00 41.12 41.54 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 -2.33 -1.53 0.07 2.24 0.00 -1.26 -4.17 121.76 114.78 3fa3 s ALA 42 Ca 0.28 1.27 0.09 0.00 0.00 0.00 0.00 51.96 53.60 3fa3 s ALA 42 Cb 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3fa3 s ALA 42 CO 0.46 -0.33 -0.25 -0.51 0.00 0.00 0.00 175.76 175.14 3fa3 s LEU 43 N -0.77 2.21 -0.21 0.00 1.43 -0.54 -4.02 118.68 116.77 3fa3 s LEU 43 Ca -0.08 -0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 52.36 3fa3 s LEU 43 Cb -0.02 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 3fa3 s LEU 43 CO 0.06 0.20 -0.01 -0.47 0.23 0.00 0.00 176.35 176.36 3fa3 s TYR 44 N -0.89 3.00 -0.28 0.29 5.04 -0.71 -1.27 117.35 122.53 3fa3 s TYR 44 Ca 0.11 -0.64 -0.21 0.00 -2.44 0.00 0.00 57.07 53.88 3fa3 s TYR 44 Cb -0.10 -2.10 -0.01 0.00 0.35 0.00 0.00 41.96 40.10 3fa3 s TYR 44 CO 0.03 -0.37 0.69 1.41 -1.34 0.00 0.00 175.55 175.97 3fa3 s MET 45 N 1.23 4.02 -0.17 4.97 -2.45 0.95 -0.23 119.30 127.60 3fa3 s MET 45 Ca 0.03 0.52 -0.21 0.00 -1.25 0.00 0.00 55.69 54.78 3fa3 s MET 45 Cb -0.15 -3.69 -0.03 0.00 1.25 0.00 0.00 34.83 32.21 3fa3 s MET 45 CO 0.00 -0.54 0.64 -0.08 1.05 0.00 0.00 175.02 176.09 3fa3 s THR 46 N 2.68 5.03 0.28 10.11 -1.32 -1.02 -1.81 115.64 129.59 3fa3 s THR 46 Ca 0.28 1.22 0.01 0.00 -1.21 0.00 0.00 61.69 61.99 3fa3 s THR 46 Cb -0.15 -3.96 0.27 0.00 -1.51 0.00 0.00 72.50 67.16 3fa3 s THR 46 CO 0.10 0.15 1.82 1.23 -2.21 0.00 0.00 174.62 175.71 3fa3 h GLY 47 N 7.86 1.59 1.10 6.08 0.00 -1.92 -1.93 103.07 115.86 3fa3 h GLY 47 Ca -0.33 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 46.52 3fa3 h GLY 47 CO 0.77 0.12 0.06 0.00 0.00 0.00 0.00 176.54 177.49 3fa3 h ALA 48 N 1.54 0.89 0.00 3.60 0.00 -1.95 -1.00 119.26 122.35 3fa3 h ALA 48 Ca 0.49 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3fa3 h ALA 48 Cb 0.53 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3fa3 h ALA 48 CO -0.28 0.67 0.00 0.78 0.00 0.00 0.00 179.25 180.41 3fa3 h GLY 49 N 1.03 0.00 1.04 0.00 0.00 -1.85 -2.19 103.07 101.10 3fa3 h GLY 49 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.20 3fa3 h GLY 49 CO 0.02 0.00 -1.47 -0.84 0.00 0.00 0.00 176.54 174.25 3fa3 h THR 50 N 0.00 1.20 -0.46 4.70 2.02 -1.12 -1.47 112.91 117.77 3fa3 h THR 50 Ca 0.00 -2.61 0.07 0.00 0.77 0.00 0.00 66.41 64.64 3fa3 h THR 50 Cb 0.79 2.97 -0.06 0.00 -1.74 0.00 0.00 68.15 70.11 3fa3 h THR 50 CO 0.00 0.80 0.13 0.00 0.37 0.00 0.00 175.52 176.83 3fa3 h ALA 51 N 0.12 0.54 0.33 6.16 0.00 -1.00 -2.40 119.26 123.00 3fa3 h ALA 51 Ca -0.27 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3fa3 h ALA 51 Cb 2.06 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.90 3fa3 h ALA 51 CO 0.22 -0.27 -0.40 0.00 0.00 0.00 0.00 179.25 178.80 3fa3 h ALA 52 N 1.33 -1.03 0.27 0.00 0.00 -0.98 -1.12 119.26 117.73 3fa3 h ALA 52 Ca 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3fa3 h ALA 52 Cb 0.26 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3fa3 h ALA 52 CO -0.26 -1.07 -0.13 1.03 0.00 0.00 0.00 179.25 178.82 3fa3 h SER 53 N -0.75 -0.31 -0.84 0.00 0.87 -1.18 -1.38 113.55 109.96 3fa3 h SER 53 Ca -0.04 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.26 3fa3 h SER 53 Cb 0.67 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.67 3fa3 h SER 53 CO -0.09 0.14 0.40 0.58 -0.53 0.00 0.00 176.83 177.33 3fa3 h VAL 54 N -0.85 1.26 0.00 2.23 2.07 -1.55 -3.36 116.25 116.05 3fa3 h VAL 54 Ca -0.04 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3fa3 h VAL 54 Cb 0.51 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3fa3 h VAL 54 CO 0.06 0.31 0.00 1.41 0.02 0.00 0.00 177.57 179.37 3fa3 n HIS 55 N -4.30 0.00 -3.59 1.57 8.25 -0.47 -5.01 115.22 111.67 3fa3 n HIS 55 Ca 0.08 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.28 3fa3 n HIS 55 Cb 0.14 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.29 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 0.40 -0.52 3.17 -1.41 0.00 -0.52 -4.96 105.19 101.35 3fa3 n GLY 56 Ca 0.00 0.19 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 -6.30 0.99 0.60 1.61 2.00 -1.10 -4.97 119.66 112.49 3fa3 s GLN 57 Ca 0.55 -1.48 -0.16 0.00 -2.00 0.00 0.00 55.36 52.26 3fa3 s GLN 57 Cb -0.26 0.21 -0.03 0.00 0.80 0.00 0.00 33.01 33.72 3fa3 s GLN 57 CO 0.67 -0.27 1.08 0.00 -0.50 0.00 0.00 175.29 176.28 3fa3 s ALA 58 N -4.04 2.65 -1.15 1.58 0.00 -1.26 -2.32 121.76 117.23 3fa3 s ALA 58 Ca 0.27 0.53 -0.22 0.00 0.00 0.00 0.00 51.96 52.54 3fa3 s ALA 58 Cb 0.07 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.83 3fa3 s ALA 58 CO 0.04 -0.92 1.92 -3.47 0.00 0.00 0.00 175.76 173.33 3fa3 n ASP 59 N -1.95 3.22 -1.39 0.00 4.64 -1.26 -4.64 116.55 115.16 3fa3 n ASP 59 Ca 0.10 -2.72 -0.00 0.00 -1.38 0.00 0.00 54.79 50.79 3fa3 n ASP 59 Cb 0.52 -1.67 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 12.85 2.36 -3.35 -2.67 4.77 -1.26 -1.39 117.00 128.32 3fa3 n LEU 60 Ca 0.46 -3.32 -0.18 0.00 -0.03 0.00 0.00 56.01 52.95 3fa3 n LEU 60 Cb 0.46 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.41 3fa3 n LEU 60 CO 0.73 1.18 0.02 0.61 -1.33 0.00 0.00 177.39 178.61 3fa3 n GLY 61 N -0.47 -1.01 0.05 -0.72 0.00 -1.16 -4.11 105.19 97.78 3fa3 n GLY 61 Ca 0.17 0.49 -0.05 0.00 0.00 0.00 0.00 46.02 46.63 3fa3 n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa3 n ILE 62 N -3.51 0.70 -2.10 -0.61 5.41 -1.26 -4.71 119.36 113.28 3fa3 n ILE 62 Ca -0.11 -0.42 -0.39 0.00 1.00 0.00 0.00 62.75 62.83 3fa3 n ILE 62 Cb 0.62 -0.75 -0.00 0.00 -0.71 0.00 0.00 39.64 38.81 3fa3 n ILE 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3fa3 s THR 64 N -1.34 3.14 0.31 0.00 -4.23 -1.26 -4.99 115.64 107.27 3fa3 s THR 64 Ca 0.60 -1.85 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 3fa3 s THR 64 Cb -0.35 -2.88 0.42 0.00 1.34 0.00 0.00 72.50 71.03 3fa3 s THR 64 CO 0.44 -0.27 1.56 -0.11 -0.54 0.00 0.00 174.62 175.70 3fa3 n LEU 65 N -0.99 -0.10 -0.32 4.79 7.94 -1.26 -0.13 117.00 126.92 3fa3 n LEU 65 Ca -0.05 1.69 0.01 0.00 -1.11 0.00 0.00 56.01 56.55 3fa3 n LEU 65 Cb 0.60 -0.62 0.15 0.00 0.53 0.00 0.00 43.42 44.08 3fa3 n LEU 65 CO 0.42 -1.71 1.21 0.78 -1.11 0.00 0.00 177.39 176.97 3fa3 h ASN 66 N 0.00 0.87 0.13 1.96 4.21 -1.98 0.18 115.58 120.95 3fa3 h ASN 66 Ca 0.61 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 58.13 3fa3 h ASN 66 Cb 1.27 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 3fa3 h ASN 66 CO -0.93 0.56 -0.06 0.44 -1.29 0.00 0.00 177.43 176.15 3fa3 h ASP 67 N 1.01 -0.15 -0.48 5.81 3.32 -0.93 -1.95 116.42 123.05 3fa3 h ASP 67 Ca 0.39 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 3fa3 h ASP 67 Cb 0.17 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3fa3 h ASP 67 CO -0.17 0.13 0.01 0.24 -1.72 0.00 0.00 179.24 177.72 3fa3 h MET 68 N -0.43 0.90 0.02 3.56 2.86 -0.88 -1.07 114.93 119.89 3fa3 h MET 68 Ca -0.02 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3fa3 h MET 68 Cb 0.34 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3fa3 h MET 68 CO 0.03 0.89 -0.01 -0.09 1.06 0.00 0.00 176.91 178.79 3fa3 h ARG 69 N 0.84 -0.02 -0.56 1.72 1.12 -0.69 0.33 114.38 117.12 3fa3 h ARG 69 Ca 0.16 0.00 0.08 0.00 -1.11 0.00 0.00 59.98 59.11 3fa3 h ARG 69 Cb 0.49 0.00 -0.10 0.00 -0.01 0.00 0.00 29.97 30.35 3fa3 h ARG 69 CO 0.02 0.73 -0.48 0.00 -3.11 0.00 0.00 179.97 177.13 3fa3 h ALA 70 N -0.12 -0.48 -0.47 2.80 0.00 -1.38 0.34 119.26 119.96 3fa3 h ALA 70 Ca -0.00 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3fa3 h ALA 70 Cb 0.76 1.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.52 3fa3 h ALA 70 CO 0.00 -0.90 0.09 -0.97 0.00 0.00 0.00 179.25 177.47 3fa3 h ASN 71 N -0.26 -0.00 -0.41 0.00 -0.00 -1.12 -1.79 115.58 112.00 3fa3 h ASN 71 Ca 0.15 0.08 0.05 0.00 -0.00 0.00 0.00 56.30 56.58 3fa3 h ASN 71 Cb 0.56 0.12 -0.05 0.00 -0.00 0.00 0.00 38.32 38.95 3fa3 h ASN 71 CO -0.68 0.03 0.14 0.00 -0.00 0.00 0.00 177.43 176.91 3fa3 h ALA 72 N 1.37 0.48 -0.63 1.57 0.00 0.83 -2.69 119.26 120.18 3fa3 h ALA 72 Ca 0.24 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3fa3 h ALA 72 Cb 0.31 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3fa3 h ALA 72 CO -0.31 -0.26 0.17 1.49 0.00 0.00 0.00 179.25 180.34 3fa3 h GLU 73 N 0.29 0.97 -0.01 0.00 4.81 0.39 -0.28 114.58 120.74 3fa3 h GLU 73 Ca 0.19 -0.20 -0.20 0.00 -0.13 0.00 0.00 59.36 59.02 3fa3 h GLU 73 Cb 0.18 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3fa3 h GLU 73 CO -0.20 0.85 -0.85 0.00 -0.73 0.00 0.00 179.01 178.07 3fa3 h MET 74 N 0.93 0.26 -0.15 1.92 -0.00 -1.30 -3.14 114.93 113.46 3fa3 h MET 74 Ca 0.20 -0.27 -0.01 0.00 -0.00 0.00 0.00 59.70 59.62 3fa3 h MET 74 Cb 0.30 0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.97 3fa3 h MET 74 CO -0.00 0.97 0.06 0.82 -0.00 0.00 0.00 176.91 178.75 3fa3 h ILE 75 N 0.16 1.16 0.00 -0.10 2.04 -1.20 -2.71 117.51 116.85 3fa3 h ILE 75 Ca -0.05 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3fa3 h ILE 75 Cb 1.47 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 3fa3 h ILE 75 CO 0.14 0.15 0.00 -1.20 0.00 0.00 0.00 178.15 177.23 3fa3 n SER 76 N -4.87 0.19 -0.01 1.72 7.64 -0.14 -3.07 113.62 115.07 3fa3 n SER 76 Ca -0.05 0.56 0.05 0.00 1.01 0.00 0.00 58.87 60.45 3fa3 n SER 76 Cb 0.12 -0.60 -0.11 0.00 -1.01 0.00 0.00 64.21 62.61 3fa3 n SER 76 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3fa3 n ASN 77 N -1.73 1.67 -0.20 6.43 3.02 -1.04 -3.70 115.26 119.71 3fa3 n ASN 77 Ca 0.01 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.57 3fa3 n ASN 77 Cb 0.11 1.55 0.10 0.00 -0.61 0.00 0.00 39.78 40.93 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 0.00 0.52 -3.34 2.41 2.04 -1.43 -3.29 117.51 114.42 3fa3 h ILE 78 Ca -0.05 -0.05 -0.62 0.00 1.00 0.00 0.00 64.86 65.14 3fa3 h ILE 78 Cb 0.83 0.37 -0.40 0.00 -0.74 0.00 0.00 36.82 36.88 3fa3 h ILE 78 CO 0.00 0.02 -0.72 -0.55 0.00 0.00 0.00 178.15 176.91 3fa3 s SER 79 N -5.24 4.25 0.51 1.72 0.15 -1.26 -4.98 113.70 108.84 3fa3 s SER 79 Ca -0.13 -2.27 0.30 0.00 0.70 0.00 0.00 55.95 54.54 3fa3 s SER 79 Cb 0.19 -1.30 1.18 0.00 -1.71 0.00 0.00 66.02 64.38 3fa3 s SER 79 CO 0.74 -0.34 1.92 1.55 1.20 0.00 0.00 173.24 178.31 3fa3 h PRO 80 N 7.35 0.00 -0.00 5.44 0.13 -1.64 0.53 132.00 143.81 3fa3 h PRO 80 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3fa3 h PRO 80 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3fa3 h PRO 80 CO 0.53 0.08 -0.11 -1.13 -0.23 0.00 0.00 178.00 177.14 3fa3 n SER 81 N -3.22 0.35 -4.56 1.44 3.41 -1.26 -3.86 113.62 105.92 3fa3 n SER 81 Ca 0.00 -0.37 -0.43 0.00 -0.26 0.00 0.00 58.87 57.82 3fa3 n SER 81 Cb 0.35 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.59 4.66 0.36 6.66 2.01 0.18 -4.88 115.64 122.04 3fa3 s THR 82 Ca 0.26 0.68 -0.28 0.00 0.31 0.00 0.00 61.69 62.66 3fa3 s THR 82 Cb 0.20 -4.28 -0.12 0.00 0.01 0.00 0.00 72.50 68.31 3fa3 s THR 82 CO 0.50 -0.60 1.39 -2.65 -0.69 0.00 0.00 174.62 172.57 3fa3 n PRO 83 N 6.64 2.41 -4.92 4.92 -0.02 -1.26 -4.79 135.00 137.98 3fa3 n PRO 83 Ca 0.03 0.85 -0.33 0.00 -2.02 0.00 0.00 63.50 62.03 3fa3 n PRO 83 Cb 0.48 -2.51 -0.15 0.00 -0.02 0.00 0.00 33.50 31.31 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 -1.11 2.79 -0.32 -1.45 1.01 -1.26 -1.47 120.40 118.58 3fa3 s VAL 84 Ca 0.54 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 3fa3 s VAL 84 Cb -0.52 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 3fa3 s VAL 84 CO 0.63 0.54 0.19 -0.63 0.00 0.00 0.00 175.10 175.84 3fa3 s ILE 85 N 0.17 4.98 0.00 2.22 1.01 -0.40 0.04 121.20 129.22 3fa3 s ILE 85 Ca -0.09 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.34 3fa3 s ILE 85 Cb -0.15 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 3fa3 s ILE 85 CO 0.06 0.06 -0.11 0.00 0.00 0.00 0.00 174.94 174.95 3fa3 s ALA 86 N 1.68 2.85 0.27 9.38 0.00 0.66 -0.04 121.76 136.57 3fa3 s ALA 86 Ca 0.06 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.66 3fa3 s ALA 86 Cb -0.17 -1.01 -0.11 0.00 0.00 0.00 0.00 23.12 21.84 3fa3 s ALA 86 CO 0.09 0.59 1.49 0.34 0.00 0.00 0.00 175.76 178.27 3fa3 s ASP 87 N -1.31 6.54 -0.07 0.00 -1.08 -0.75 -2.33 116.67 117.67 3fa3 s ASP 87 Ca 0.15 2.78 0.11 0.00 -0.52 0.00 0.00 52.55 55.08 3fa3 s ASP 87 Cb -0.11 -2.63 0.19 0.00 -1.46 0.00 0.00 42.92 38.91 3fa3 s ASP 87 CO 0.06 -0.78 1.09 0.00 0.52 0.00 0.00 175.17 176.06 3fa3 n ALA 88 N 2.17 2.26 -0.07 3.66 0.00 -0.66 -4.82 120.51 123.05 3fa3 n ALA 88 Ca 0.07 -1.98 0.00 0.00 0.00 0.00 0.00 53.44 51.52 3fa3 n ALA 88 Cb 0.39 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.68 0.00 -0.88 0.00 8.00 -1.24 -0.14 116.55 121.60 3fa3 n ASP 89 Ca 0.09 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.71 3fa3 n ASP 89 Cb 0.70 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.98 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 0.01 -0.47 -3.53 -2.24 -1.26 -0.52 114.28 106.26 3fa3 n THR 90 Ca 0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3fa3 n THR 90 Cb 0.00 1.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 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 1.32 0.76 2.34 3.38 0.00 0.80 -4.61 105.19 109.18 3fa3 n GLY 91 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.40 -0.82 -0.18 1.61 4.02 -1.26 -3.35 117.16 114.79 3fa3 n TYR 92 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 3fa3 n TYR 92 Cb 0.00 -2.97 0.00 0.00 -0.02 0.00 0.00 39.34 36.35 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 -1.08 0.91 0.00 2.72 0.00 -1.26 -4.86 105.19 101.61 3fa3 n GLY 93 Ca -0.13 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.96 0.27 -0.02 0.00 -1.26 -4.47 105.19 97.75 3fa3 n GLY 94 Ca 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 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 0.95 -0.79 1.61 0.11 -1.96 0.86 132.00 132.77 3fa3 h PRO 95 Ca 0.00 -0.44 0.13 0.00 0.11 0.00 0.00 66.00 65.80 3fa3 h PRO 95 Cb 0.00 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 31.01 3fa3 h PRO 95 CO 0.00 1.11 0.38 0.82 -0.21 0.00 0.00 178.00 180.10 3fa3 h ILE 96 N 0.78 0.74 -0.49 4.15 5.03 -1.99 0.10 117.51 125.84 3fa3 h ILE 96 Ca 0.09 -0.20 -0.01 0.00 -0.12 0.00 0.00 64.86 64.62 3fa3 h ILE 96 Cb 0.86 0.11 -0.02 0.00 -3.03 0.00 0.00 36.82 34.74 3fa3 h ILE 96 CO 0.08 0.10 0.26 0.24 -0.68 0.00 0.00 178.15 178.15 3fa3 h MET 97 N 0.57 0.69 0.00 2.37 2.86 -1.68 -2.23 114.93 117.51 3fa3 h MET 97 Ca 0.42 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.95 3fa3 h MET 97 Cb 0.58 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 3fa3 h MET 97 CO -0.35 0.55 -0.15 0.28 1.06 0.00 0.00 176.91 178.30 3fa3 h VAL 98 N 0.65 0.71 0.16 -2.22 2.07 0.16 -1.60 116.25 116.17 3fa3 h VAL 98 Ca 0.17 -0.61 -0.33 0.00 0.82 0.00 0.00 66.70 66.76 3fa3 h VAL 98 Cb 0.07 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3fa3 h VAL 98 CO -0.03 0.15 -1.61 0.00 0.02 0.00 0.00 177.57 176.10 3fa3 h ALA 99 N 1.85 0.19 -0.22 1.67 0.00 -0.92 -2.38 119.26 119.45 3fa3 h ALA 99 Ca -0.00 -1.10 0.03 0.00 0.00 0.00 0.00 54.91 53.83 3fa3 h ALA 99 Cb 0.36 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3fa3 h ALA 99 CO 0.02 1.06 0.05 0.00 0.00 0.00 0.00 179.25 180.38 3fa3 h ARG 100 N 0.09 0.14 -0.54 0.00 2.47 -0.71 -0.50 114.38 115.32 3fa3 h ARG 100 Ca -0.28 -0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.52 3fa3 h ARG 100 Cb 2.06 -0.03 -0.11 0.00 -1.65 0.00 0.00 29.97 30.24 3fa3 h ARG 100 CO 0.18 0.09 -0.39 1.15 0.56 0.00 0.00 179.97 181.56 3fa3 h THR 101 N 0.14 0.13 0.22 2.04 2.02 -1.35 0.32 112.91 116.43 3fa3 h THR 101 Ca 0.10 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.28 3fa3 h THR 101 Cb 0.08 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 3fa3 h THR 101 CO -0.12 0.00 -0.25 0.74 0.37 0.00 0.00 175.52 176.26 3fa3 h THR 102 N -0.22 0.45 0.02 3.16 2.02 -0.95 0.20 112.91 117.59 3fa3 h THR 102 Ca 0.19 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.38 3fa3 h THR 102 Cb 0.56 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3fa3 h THR 102 CO -0.66 0.00 -0.08 -0.33 0.37 0.00 0.00 175.52 174.83 3fa3 h GLU 103 N -0.52 -0.14 0.24 6.66 5.08 -0.94 -1.10 114.58 123.86 3fa3 h GLU 103 Ca 0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3fa3 h GLU 103 Cb 0.50 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3fa3 h GLU 103 CO -0.08 -0.09 -0.30 1.96 -1.00 0.00 0.00 179.01 179.50 3fa3 h GLN 104 N -0.14 -0.54 -1.14 2.33 4.20 -0.06 0.23 115.11 119.99 3fa3 h GLN 104 Ca 0.02 0.04 0.39 0.00 0.06 0.00 0.00 58.65 59.16 3fa3 h GLN 104 Cb 0.17 0.12 -0.14 0.00 0.30 0.00 0.00 27.48 27.93 3fa3 h GLN 104 CO -0.07 -0.36 0.69 1.88 -0.67 0.00 0.00 178.83 180.30 3fa3 h TYR 105 N -0.56 0.72 0.64 2.96 -1.99 -0.62 0.26 116.97 118.38 3fa3 h TYR 105 Ca -0.03 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 3fa3 h TYR 105 Cb 0.50 -0.18 0.01 0.00 2.00 0.00 0.00 36.73 39.05 3fa3 h TYR 105 CO -0.23 -0.25 -0.31 0.77 -0.00 0.00 0.00 178.16 178.14 3fa3 h SER 106 N 0.15 -0.72 -0.91 3.88 0.02 -0.60 -1.77 113.55 113.60 3fa3 h SER 106 Ca 0.79 -0.01 0.17 0.00 -0.84 0.00 0.00 61.79 61.90 3fa3 h SER 106 Cb 2.18 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 64.83 3fa3 h SER 106 CO -0.55 -0.35 0.59 0.03 -1.14 0.00 0.00 176.83 175.41 3fa3 h ARG 107 N -1.16 0.60 -0.37 3.45 3.08 1.00 0.06 114.38 121.04 3fa3 h ARG 107 Ca -0.09 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 3fa3 h ARG 107 Cb 0.69 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3fa3 h ARG 107 CO 0.14 0.40 0.21 0.77 -1.07 0.00 0.00 179.97 180.42 3fa3 h SER 108 N 0.62 0.44 0.00 7.04 0.02 -0.46 -3.46 113.55 117.75 3fa3 h SER 108 Ca 0.47 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 3fa3 h SER 108 Cb 0.89 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.32 3fa3 h SER 108 CO -0.22 0.35 0.00 0.61 -1.14 0.00 0.00 176.83 176.43 3fa3 n GLY 109 N -1.38 0.65 3.58 -3.77 0.00 0.01 -4.79 105.19 99.48 3fa3 n GLY 109 Ca 0.02 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.37 0.01 0.06 1.61 0.31 -0.74 -4.36 118.33 113.86 3fa3 n VAL 110 Ca 0.00 -0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3fa3 n VAL 110 Cb 0.00 -0.65 -0.11 0.00 -0.91 0.00 0.00 33.84 32.18 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 4.33 0.42 -1.85 3.52 0.00 -0.70 -3.42 119.26 121.56 3fa3 h ALA 111 Ca -0.48 -0.90 0.03 0.00 0.00 0.00 0.00 54.91 53.55 3fa3 h ALA 111 Cb 1.36 -0.10 -0.20 0.00 0.00 0.00 0.00 17.79 18.84 3fa3 h ALA 111 CO 0.76 1.21 0.40 0.00 0.00 0.00 0.00 179.25 181.62 3fa3 s ALA 112 N -2.73 -1.85 0.06 0.00 0.00 -0.78 -2.02 121.76 114.44 3fa3 s ALA 112 Ca 0.01 1.39 -0.07 0.00 0.00 0.00 0.00 51.96 53.29 3fa3 s ALA 112 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3fa3 s ALA 112 CO 0.81 -0.39 0.15 -0.59 0.00 0.00 0.00 175.76 175.74 3fa3 s PHE 113 N -1.45 0.18 -0.01 0.00 -0.12 -0.42 -0.25 117.98 115.91 3fa3 s PHE 113 Ca -0.04 -0.54 0.02 0.00 -0.05 0.00 0.00 56.93 56.32 3fa3 s PHE 113 Cb -0.00 -0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.25 3fa3 s PHE 113 CO 0.03 -0.46 -0.05 -3.38 -0.05 0.00 0.00 175.22 171.31 3fa3 s HIS 114 N -3.26 2.95 -0.07 3.49 -3.43 -0.98 -0.19 115.29 113.80 3fa3 s HIS 114 Ca 0.00 0.01 0.04 0.00 -0.80 0.00 0.00 55.06 54.32 3fa3 s HIS 114 Cb 0.02 -1.65 -0.00 0.00 -1.43 0.00 0.00 32.58 29.52 3fa3 s HIS 114 CO -0.08 0.39 -0.20 0.42 -2.00 0.00 0.00 174.74 173.27 3fa3 s ILE 115 N -0.98 1.71 0.31 -5.38 1.01 -0.72 -1.65 121.20 115.50 3fa3 s ILE 115 Ca 0.17 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 60.01 3fa3 s ILE 115 Cb -0.11 -1.48 0.04 0.00 0.01 0.00 0.00 42.46 40.92 3fa3 s ILE 115 CO 0.07 0.48 0.29 -1.84 0.00 0.00 0.00 174.94 173.94 3fa3 n GLU 116 N 3.33 0.96 -0.85 2.79 0.28 0.32 -1.37 120.64 126.10 3fa3 n GLU 116 Ca -0.19 -1.82 -0.05 0.00 -0.16 0.00 0.00 57.16 54.94 3fa3 n GLU 116 Cb 0.52 0.09 0.19 0.00 1.43 0.00 0.00 31.44 33.68 3fa3 n GLU 116 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3fa3 n ASP 117 N -2.15 2.54 -4.95 -1.84 5.75 -1.25 -4.63 116.55 110.02 3fa3 n ASP 117 Ca 0.02 -3.81 -0.23 0.00 -0.01 0.00 0.00 54.79 50.76 3fa3 n ASP 117 Cb 0.34 -0.62 -0.00 0.00 -1.03 0.00 0.00 41.12 39.80 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 -3.28 3.32 0.70 0.11 -0.21 -1.26 -0.69 119.66 118.35 3fa3 s GLN 118 Ca 0.45 -0.47 -0.16 0.00 0.02 0.00 0.00 55.36 55.19 3fa3 s GLN 118 Cb 0.41 -2.66 -0.00 0.00 1.00 0.00 0.00 33.01 31.75 3fa3 s GLN 118 CO -0.01 0.04 0.97 1.33 -2.12 0.00 0.00 175.29 175.50 3fa3 n VAL 119 N -1.83 3.07 -0.32 1.09 0.24 -0.82 -4.58 118.33 115.18 3fa3 n VAL 119 Ca -0.03 -0.40 0.29 0.00 -2.04 0.00 0.00 64.34 62.16 3fa3 n VAL 119 Cb 0.57 -1.12 0.62 0.00 -1.47 0.00 0.00 33.84 32.44 3fa3 n VAL 119 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 3fa3 h GLN 120 N -0.10 0.20 -3.45 7.34 4.15 -1.97 -2.44 115.11 118.84 3fa3 h GLN 120 Ca -0.48 -0.01 -0.71 0.00 0.77 0.00 0.00 58.65 58.22 3fa3 h GLN 120 Cb 1.34 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.93 3fa3 h GLN 120 CO 0.48 0.13 2.99 0.25 -1.93 0.00 0.00 178.83 180.75 3fa3 n THR 121 N -4.43 4.11 -1.72 2.39 -2.24 -1.26 -4.74 114.28 106.39 3fa3 n THR 121 Ca 0.25 -3.37 -0.30 0.00 -2.27 0.00 0.00 64.05 58.37 3fa3 n THR 121 Cb 1.05 -2.49 0.18 0.00 -2.10 0.00 0.00 70.33 66.97 3fa3 n THR 121 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3fa3 s LYS 122 N 1.75 0.51 0.29 -0.78 0.00 -0.92 -4.83 119.74 115.76 3fa3 s LYS 122 Ca 0.52 -0.20 0.03 0.00 0.00 0.00 0.00 55.97 56.32 3fa3 s LYS 122 Cb 0.15 -1.81 -0.04 0.00 0.00 0.00 0.00 37.83 36.13 3fa3 s LYS 122 CO -0.06 -2.53 0.19 -0.98 0.00 0.00 0.00 175.35 171.96 3fa3 s ARG 123 N -5.69 1.55 0.54 1.78 1.70 -1.26 -2.97 118.95 114.60 3fa3 s ARG 123 Ca 0.71 -1.88 -0.21 0.00 -0.47 0.00 0.00 55.73 53.88 3fa3 s ARG 123 Cb -0.07 0.11 -0.06 0.00 -0.57 0.00 0.00 34.95 34.36 3fa3 s ARG 123 CO 0.53 -0.49 1.22 0.00 -1.08 0.00 0.00 175.30 175.48 3fa3 h GLY 125 N 1.22 0.92 -3.06 0.00 0.00 -2.00 -2.48 103.07 97.66 3fa3 h GLY 125 Ca -0.49 -0.57 -0.20 0.00 0.00 0.00 0.00 47.33 46.07 3fa3 h GLY 125 CO 0.56 0.53 0.25 1.42 0.00 0.00 0.00 176.54 179.30 3fa3 n HIS 126 N -4.24 1.77 -3.92 5.60 8.25 -1.26 -4.83 115.22 116.59 3fa3 n HIS 126 Ca 0.03 -1.01 -0.21 0.00 -0.26 0.00 0.00 57.72 56.28 3fa3 n HIS 126 Cb 0.27 -0.57 -0.03 0.00 1.12 0.00 0.00 29.99 30.77 3fa3 n HIS 126 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fa3 s LEU 127 N -2.04 3.81 -0.01 2.41 1.43 -0.94 -4.83 118.68 118.51 3fa3 s LEU 127 Ca 0.37 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.13 3fa3 s LEU 127 Cb 0.30 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 3fa3 s LEU 127 CO 0.09 -0.20 0.21 0.00 0.23 0.00 0.00 176.35 176.68 3fa3 s ALA 128 N -2.18 3.91 0.00 4.21 0.00 -1.26 -4.65 121.76 121.79 3fa3 s ALA 128 Ca 0.37 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3fa3 s ALA 128 Cb -0.07 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.09 3fa3 s ALA 128 CO 0.27 0.70 0.00 0.41 0.00 0.00 0.00 175.76 177.14 3fa3 n GLY 129 N 1.08 1.86 3.77 0.00 0.00 -1.26 -5.06 105.19 105.58 3fa3 n GLY 129 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3fa3 n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fa3 s LYS 130 N -0.76 3.66 -0.26 1.61 1.02 -1.26 -5.03 119.74 118.72 3fa3 s LYS 130 Ca 0.00 1.70 -0.07 0.00 0.02 0.00 0.00 55.97 57.62 3fa3 s LYS 130 Cb 0.00 -2.28 -0.02 0.00 -0.52 0.00 0.00 37.83 35.01 3fa3 s LYS 130 CO 0.00 -0.62 0.07 0.42 -0.92 0.00 0.00 175.35 174.30 3fa3 s ILE 131 N -1.63 4.23 0.30 2.17 -1.09 -1.26 -5.04 121.20 118.88 3fa3 s ILE 131 Ca 0.66 -0.28 0.06 0.00 -2.23 0.00 0.00 60.65 58.87 3fa3 s ILE 131 Cb -0.26 -3.01 -0.02 0.00 -1.58 0.00 0.00 42.46 37.58 3fa3 s ILE 131 CO 0.31 0.29 0.41 -0.76 -1.23 0.00 0.00 174.94 173.97 3fa3 s LEU 132 N 1.59 4.02 0.30 2.97 1.43 -1.26 -1.95 118.68 125.78 3fa3 s LEU 132 Ca 0.06 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 3fa3 s LEU 132 Cb -0.15 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 3fa3 s LEU 132 CO 0.03 -0.31 0.41 0.54 0.23 0.00 0.00 176.35 177.25 3fa3 s VAL 133 N -2.13 4.48 0.92 -1.59 0.11 0.13 -4.55 120.40 117.77 3fa3 s VAL 133 Ca 0.41 -1.03 -0.11 0.00 -2.93 0.00 0.00 61.98 58.31 3fa3 s VAL 133 Cb -0.09 -3.56 0.14 0.00 -1.53 0.00 0.00 36.38 31.35 3fa3 s VAL 133 CO 0.30 -0.23 1.09 1.51 -3.33 0.00 0.00 175.10 174.44 3fa3 s ASP 134 N -4.08 3.15 0.26 3.54 -4.77 -1.26 -4.81 116.67 108.70 3fa3 s ASP 134 Ca 0.40 1.67 -0.01 0.00 -3.30 0.00 0.00 52.55 51.31 3fa3 s ASP 134 Cb -0.09 -2.31 0.55 0.00 -1.09 0.00 0.00 42.92 39.98 3fa3 s ASP 134 CO 0.30 -2.87 1.74 0.74 0.70 0.00 0.00 175.17 175.78 3fa3 h THR 135 N -1.71 0.65 0.28 2.11 2.02 -1.99 -2.04 112.91 112.23 3fa3 h THR 135 Ca -0.49 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 3fa3 h THR 135 Cb 1.28 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3fa3 h THR 135 CO 0.51 0.09 -0.13 0.44 0.37 0.00 0.00 175.52 176.80 3fa3 h ASP 136 N 0.52 -0.32 -0.96 4.18 3.32 -1.99 -1.15 116.42 120.02 3fa3 h ASP 136 Ca 0.47 0.01 0.26 0.00 0.02 0.00 0.00 57.03 57.79 3fa3 h ASP 136 Cb 0.74 0.08 -0.17 0.00 0.22 0.00 0.00 39.33 40.19 3fa3 h ASP 136 CO -0.41 -0.19 0.07 0.74 -1.72 0.00 0.00 179.24 177.73 3fa3 h THR 137 N -0.45 0.08 -0.31 0.35 2.02 -1.94 0.54 112.91 113.20 3fa3 h THR 137 Ca -0.04 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.16 3fa3 h THR 137 Cb 0.29 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 3fa3 h THR 137 CO 0.06 0.01 0.11 0.22 0.37 0.00 0.00 175.52 176.29 3fa3 h TYR 138 N 0.04 0.19 0.06 3.16 3.20 -0.76 0.63 116.97 123.49 3fa3 h TYR 138 Ca 0.59 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.47 3fa3 h TYR 138 Cb 1.21 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.44 3fa3 h TYR 138 CO -0.45 0.09 -0.03 0.28 -1.64 0.00 0.00 178.16 176.41 3fa3 h VAL 139 N 0.25 1.04 -0.86 1.81 2.07 0.10 -1.77 116.25 118.89 3fa3 h VAL 139 Ca 0.14 -0.31 0.21 0.00 0.82 0.00 0.00 66.70 67.56 3fa3 h VAL 139 Cb 0.11 1.24 -0.15 0.00 -1.52 0.00 0.00 31.29 30.97 3fa3 h VAL 139 CO -0.14 0.08 0.02 0.74 0.02 0.00 0.00 177.57 178.29 3fa3 h THR 140 N -0.21 0.21 -0.90 2.57 2.02 0.12 0.47 112.91 117.19 3fa3 h THR 140 Ca -0.01 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3fa3 h THR 140 Cb 0.19 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.68 3fa3 h THR 140 CO 0.01 0.01 0.58 0.03 0.37 0.00 0.00 175.52 176.53 3fa3 h ARG 141 N 0.08 1.20 -0.45 6.66 3.08 0.10 -2.10 114.38 122.96 3fa3 h ARG 141 Ca 0.50 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 60.32 3fa3 h ARG 141 Cb 0.94 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3fa3 h ARG 141 CO -0.77 0.82 -0.24 0.82 -1.07 0.00 0.00 179.97 179.52 3fa3 h ILE 142 N 1.23 1.27 0.16 2.04 1.08 0.52 -3.16 117.51 120.66 3fa3 h ILE 142 Ca 0.33 -1.40 -0.01 0.00 -0.39 0.00 0.00 64.86 63.39 3fa3 h ILE 142 Cb -0.11 1.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 3fa3 h ILE 142 CO -0.07 0.48 -0.08 -0.09 -0.69 0.00 0.00 178.15 177.70 3fa3 h ARG 143 N 0.81 -0.21 -0.86 2.37 2.43 0.02 -2.22 114.38 116.73 3fa3 h ARG 143 Ca 0.10 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.44 3fa3 h ARG 143 Cb 0.81 0.05 -0.16 0.00 -0.42 0.00 0.00 29.97 30.25 3fa3 h ARG 143 CO 0.07 -0.11 -0.28 0.00 -1.51 0.00 0.00 179.97 178.14 3fa3 h ALA 144 N 0.57 0.37 -0.41 2.80 0.00 -1.38 0.25 119.26 121.47 3fa3 h ALA 144 Ca -0.02 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3fa3 h ALA 144 Cb 0.20 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3fa3 h ALA 144 CO 0.04 -0.50 0.18 0.00 0.00 0.00 0.00 179.25 178.97 3fa3 h ALA 145 N 1.61 0.53 -0.44 0.00 0.00 -1.42 0.18 119.26 119.72 3fa3 h ALA 145 Ca 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3fa3 h ALA 145 Cb 0.62 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3fa3 h ALA 145 CO -0.89 0.12 0.19 0.28 0.00 0.00 0.00 179.25 178.95 3fa3 h VAL 146 N 0.52 1.19 -0.10 0.00 2.07 -0.40 -0.35 116.25 119.19 3fa3 h VAL 146 Ca 0.14 -0.57 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 3fa3 h VAL 146 Cb 0.16 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3fa3 h VAL 146 CO -0.01 0.21 -0.32 1.56 0.02 0.00 0.00 177.57 179.03 3fa3 h GLN 147 N 0.56 0.20 -0.13 1.57 4.20 -0.37 -2.73 115.11 118.41 3fa3 h GLN 147 Ca 0.15 -0.07 -0.19 0.00 0.06 0.00 0.00 58.65 58.59 3fa3 h GLN 147 Cb 0.16 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.93 3fa3 h GLN 147 CO -0.02 0.50 -0.67 0.00 -0.67 0.00 0.00 178.83 177.97 3fa3 h ALA 148 N 1.50 0.26 -0.10 3.87 0.00 -0.11 -2.37 119.26 122.31 3fa3 h ALA 148 Ca 0.02 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 3fa3 h ALA 148 Cb 0.65 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3fa3 h ALA 148 CO 0.05 0.56 -0.17 0.07 0.00 0.00 0.00 179.25 179.76 3fa3 h ARG 149 N 0.36 0.28 0.00 0.00 0.11 -0.87 -2.72 114.38 111.54 3fa3 h ARG 149 Ca -0.05 -0.17 0.00 0.00 0.10 0.00 0.00 59.98 59.86 3fa3 h ARG 149 Cb 1.31 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.41 3fa3 h ARG 149 CO 0.14 0.76 0.00 -0.56 0.10 0.00 0.00 179.97 180.40 3fa3 h GLN 150 N -0.16 0.00 -0.09 0.08 3.07 -1.60 0.99 115.11 117.40 3fa3 h GLN 150 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.64 3fa3 h GLN 150 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.28 3fa3 h GLN 150 CO 0.04 0.00 -0.44 -0.09 0.09 0.00 0.00 178.83 178.43 3fa3 h ARG 151 N 0.00 0.20 -0.25 0.06 2.43 -1.12 -3.13 114.38 112.58 3fa3 h ARG 151 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3fa3 h ARG 151 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3fa3 h ARG 151 CO 0.00 0.60 0.00 0.44 -1.51 0.00 0.00 179.97 179.50 3fa3 n ILE 152 N -4.01 0.50 -2.82 1.20 -5.35 -0.76 -5.00 119.36 103.13 3fa3 n ILE 152 Ca -0.02 -0.75 -0.07 0.00 -0.27 0.00 0.00 62.75 61.64 3fa3 n ILE 152 Cb 0.49 0.90 0.02 0.00 -1.74 0.00 0.00 39.64 39.32 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 0.86 0.48 3.67 3.28 0.00 -0.10 -5.02 105.19 108.36 3fa3 n GLY 153 Ca 0.12 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.11 5.82 0.00 1.61 0.15 0.15 -4.97 113.70 113.36 3fa3 s SER 154 Ca 0.17 0.13 0.04 0.00 0.70 0.00 0.00 55.95 57.00 3fa3 s SER 154 Cb -0.08 -2.00 0.18 0.00 -1.71 0.00 0.00 66.02 62.41 3fa3 s SER 154 CO 0.22 0.18 1.13 0.47 1.20 0.00 0.00 173.24 176.44 3fa3 n ASP 155 N 3.50 0.30 -4.67 5.45 8.00 -1.26 -4.51 116.55 123.36 3fa3 n ASP 155 Ca -0.16 -1.93 -0.45 0.00 0.71 0.00 0.00 54.79 52.95 3fa3 n ASP 155 Cb 0.52 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 3fa3 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa3 n ILE 156 N -0.37 0.47 -2.95 0.53 3.06 -1.26 -4.65 119.36 114.19 3fa3 n ILE 156 Ca 0.04 -0.12 -0.42 0.00 -2.50 0.00 0.00 62.75 59.75 3fa3 n ILE 156 Cb 0.06 -1.53 -0.05 0.00 0.54 0.00 0.00 39.64 38.65 3fa3 n ILE 156 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3fa3 s VAL 157 N 0.44 4.85 -0.37 9.51 1.01 -0.85 -4.98 120.40 130.01 3fa3 s VAL 157 Ca 0.73 1.36 -0.18 0.00 0.00 0.00 0.00 61.98 63.89 3fa3 s VAL 157 Cb -0.66 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 31.64 3fa3 s VAL 157 CO 0.44 -0.11 0.53 -0.69 0.00 0.00 0.00 175.10 175.26 3fa3 s VAL 158 N 2.81 4.99 -0.10 2.92 1.01 -1.26 -1.30 120.40 129.48 3fa3 s VAL 158 Ca 0.32 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 3fa3 s VAL 158 Cb -0.15 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3fa3 s VAL 158 CO 0.09 -0.29 0.08 -0.63 0.00 0.00 0.00 175.10 174.35 3fa3 s ILE 159 N 2.43 5.01 -0.24 2.22 1.01 0.73 -1.03 121.20 131.33 3fa3 s ILE 159 Ca 0.19 -0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.84 3fa3 s ILE 159 Cb -0.15 -3.17 0.06 0.00 0.01 0.00 0.00 42.46 39.21 3fa3 s ILE 159 CO 0.14 0.60 -0.05 0.00 0.00 0.00 0.00 174.94 175.62 3fa3 s ALA 160 N -0.99 1.99 0.04 9.38 0.00 -0.75 -1.75 121.76 129.68 3fa3 s ALA 160 Ca 0.15 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.72 3fa3 s ALA 160 Cb -0.12 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 3fa3 s ALA 160 CO 0.04 -1.20 0.14 0.50 0.00 0.00 0.00 175.76 175.24 3fa3 s ARG 161 N 1.38 3.22 -0.02 0.00 3.52 -0.47 -1.36 118.95 125.22 3fa3 s ARG 161 Ca -0.06 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.07 3fa3 s ARG 161 Cb -0.19 -2.93 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 3fa3 s ARG 161 CO -0.06 0.62 -0.06 -0.08 -0.81 0.00 0.00 175.30 174.91 3fa3 s THR 162 N -1.38 0.53 -1.00 4.11 -1.32 -0.17 -3.79 115.64 112.61 3fa3 s THR 162 Ca 0.30 -0.23 0.17 0.00 -1.21 0.00 0.00 61.69 60.72 3fa3 s THR 162 Cb -0.13 -0.48 0.61 0.00 -1.51 0.00 0.00 72.50 71.00 3fa3 s THR 162 CO 0.22 0.17 1.53 0.47 -2.21 0.00 0.00 174.62 174.80 3fa3 n ASP 163 N 3.28 4.25 -0.26 8.08 8.00 -1.26 -1.83 116.55 136.82 3fa3 n ASP 163 Ca -0.17 -2.42 0.09 0.00 0.71 0.00 0.00 54.79 53.00 3fa3 n ASP 163 Cb 0.55 -0.50 0.44 0.00 -0.02 0.00 0.00 41.12 41.59 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 0.80 0.79 0.22 -2.24 3.41 -1.26 -3.76 113.62 111.58 3fa3 n SER 164 Ca 0.22 -1.59 -0.11 0.00 -0.26 0.00 0.00 58.87 57.14 3fa3 n SER 164 Cb 0.79 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.63 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 1.04 -0.72 -1.02 1.04 5.85 -1.80 0.69 115.31 120.40 3fa3 h LEU 165 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3fa3 h LEU 165 Cb 0.23 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3fa3 h LEU 165 CO 0.00 -0.41 0.04 0.00 -0.34 0.00 0.00 178.44 177.73 3fa3 n GLN 166 N -4.05 0.10 0.00 1.25 10.64 -1.25 -2.00 117.38 122.07 3fa3 n GLN 166 Ca -0.08 0.59 0.00 0.00 -1.83 0.00 0.00 57.00 55.68 3fa3 n GLN 166 Cb 0.27 -1.87 0.00 0.00 -0.86 0.00 0.00 30.24 27.79 3fa3 n GLN 166 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 3fa3 n THR 167 N -2.04 0.00 -0.30 -0.39 -1.04 -1.12 -4.78 114.28 104.62 3fa3 n THR 167 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3fa3 n THR 167 Cb 0.06 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 3fa3 n THR 167 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3fa3 n HIS 168 N -1.53 0.00 0.00 -1.42 8.25 0.22 -5.11 115.22 115.63 3fa3 n HIS 168 Ca 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3fa3 n HIS 168 Cb 0.19 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.14 -0.69 0.28 -1.41 0.00 -0.84 -4.40 105.19 97.98 3fa3 n GLY 169 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 0.73 -0.16 1.61 3.20 -1.88 -2.99 116.97 117.48 3fa3 h TYR 170 Ca 0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 3fa3 h TYR 170 Cb 0.00 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 3fa3 h TYR 170 CO 0.00 0.32 -0.26 0.93 -1.64 0.00 0.00 178.16 177.51 3fa3 h GLU 171 N 0.71 0.47 -0.92 1.82 4.39 -1.97 -2.61 114.58 116.45 3fa3 h GLU 171 Ca 0.34 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 3fa3 h GLU 171 Cb 0.28 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 3fa3 h GLU 171 CO -0.22 0.88 0.57 1.49 -1.16 0.00 0.00 179.01 180.56 3fa3 h GLU 172 N 0.10 1.25 -0.71 2.33 4.57 -1.75 0.82 114.58 121.19 3fa3 h GLU 172 Ca 0.01 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3fa3 h GLU 172 Cb 0.83 -0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 29.12 3fa3 h GLU 172 CO 0.06 0.87 0.45 0.66 -1.18 0.00 0.00 179.01 179.86 3fa3 h SER 173 N 1.27 0.74 -0.12 1.04 4.64 -1.37 0.22 113.55 119.98 3fa3 h SER 173 Ca 0.33 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.51 3fa3 h SER 173 Cb -0.07 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 3fa3 h SER 173 CO -0.06 0.51 -0.43 0.58 -0.87 0.00 0.00 176.83 176.56 3fa3 h VAL 174 N 0.87 1.30 -0.28 0.95 2.07 -1.01 -1.94 116.25 118.21 3fa3 h VAL 174 Ca 0.28 -1.61 0.07 0.00 0.82 0.00 0.00 66.70 66.26 3fa3 h VAL 174 Cb 0.02 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 3fa3 h VAL 174 CO -0.11 0.51 -0.17 0.00 0.02 0.00 0.00 177.57 177.82 3fa3 h ALA 175 N 0.99 0.03 -1.01 1.67 0.00 0.57 -0.45 119.26 121.07 3fa3 h ALA 175 Ca 0.04 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3fa3 h ALA 175 Cb 0.96 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 3fa3 h ALA 175 CO 0.09 -0.57 0.65 0.00 0.00 0.00 0.00 179.25 179.41 3fa3 h ARG 176 N -0.14 1.11 -0.51 0.00 3.08 -0.78 -1.06 114.38 116.07 3fa3 h ARG 176 Ca 0.15 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 3fa3 h ARG 176 Cb 0.37 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3fa3 h ARG 176 CO -0.37 0.74 0.01 -0.07 -1.07 0.00 0.00 179.97 179.20 3fa3 h LEU 177 N 1.15 0.83 -0.09 3.04 3.38 -0.55 -2.85 115.31 120.21 3fa3 h LEU 177 Ca 0.45 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3fa3 h LEU 177 Cb 0.23 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3fa3 h LEU 177 CO -0.19 0.89 0.05 0.03 0.09 0.00 0.00 178.44 179.30 3fa3 h ARG 178 N 0.80 0.14 -0.41 1.13 3.08 -0.11 0.63 114.38 119.63 3fa3 h ARG 178 Ca 0.15 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.30 3fa3 h ARG 178 Cb 0.47 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3fa3 h ARG 178 CO 0.02 0.21 0.60 0.00 -1.07 0.00 0.00 179.97 179.73 3fa3 h ALA 179 N 0.92 2.10 0.00 0.04 0.00 -1.01 -1.56 119.26 119.75 3fa3 h ALA 179 Ca 0.03 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 3fa3 h ALA 179 Cb 0.11 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3fa3 h ALA 179 CO -0.00 -0.82 -2.01 0.00 0.00 0.00 0.00 179.25 176.42 3fa3 n ALA 180 N -2.17 1.84 -0.23 0.00 0.00 -0.92 -2.88 120.51 116.16 3fa3 n ALA 180 Ca 0.08 -0.90 0.03 0.00 0.00 0.00 0.00 53.44 52.65 3fa3 n ALA 180 Cb 0.77 -0.20 0.15 0.00 0.00 0.00 0.00 19.45 20.17 3fa3 n ALA 180 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3fa3 h ARG 181 N 0.00 0.39 -0.37 0.00 2.43 0.06 -1.74 114.38 115.15 3fa3 h ARG 181 Ca -0.33 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.68 3fa3 h ARG 181 Cb 1.70 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.15 3fa3 h ARG 181 CO 0.02 0.26 -0.30 -0.44 -1.51 0.00 0.00 179.97 178.00 3fa3 h ASP 182 N 0.40 0.83 0.56 -3.80 5.19 -1.48 0.73 116.42 118.84 3fa3 h ASP 182 Ca 0.37 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3fa3 h ASP 182 Cb 0.53 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.81 3fa3 h ASP 182 CO -0.38 1.07 0.00 0.00 -3.12 0.00 0.00 179.24 176.81 3fa3 n ALA 183 N -2.51 1.95 0.00 3.45 0.00 -1.14 -4.87 120.51 117.38 3fa3 n ALA 183 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3fa3 n ALA 183 Cb 0.48 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.47 1.12 3.62 0.00 0.00 0.25 -4.70 105.19 105.94 3fa3 n GLY 184 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3fa3 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 n ALA 185 N -0.89 0.26 0.08 4.61 0.00 -0.70 -4.96 120.51 118.91 3fa3 n ALA 185 Ca 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.63 3fa3 n ALA 185 Cb 0.00 -2.09 -0.13 0.00 0.00 0.00 0.00 19.45 17.23 3fa3 n ALA 185 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3fa3 h ASP 186 N 1.81 0.15 -4.78 0.00 3.32 -1.41 -3.43 116.42 112.07 3fa3 h ASP 186 Ca -0.43 -0.16 -0.18 0.00 0.02 0.00 0.00 57.03 56.27 3fa3 h ASP 186 Cb 1.33 -0.05 -0.22 0.00 0.22 0.00 0.00 39.33 40.61 3fa3 h ASP 186 CO 0.59 1.13 -0.70 -0.69 -1.72 0.00 0.00 179.24 177.84 3fa3 s VAL 187 N -2.69 0.10 -0.01 -1.35 1.01 -1.05 -4.37 120.40 112.04 3fa3 s VAL 187 Ca -0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 3fa3 s VAL 187 Cb 0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 3fa3 s VAL 187 CO 0.84 -0.42 0.13 -0.83 0.00 0.00 0.00 175.10 174.83 3fa3 s GLY 188 N -1.24 2.10 -0.37 4.51 0.00 0.00 -1.82 107.32 110.51 3fa3 s GLY 188 Ca -0.13 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 43.80 3fa3 s GLY 188 CO -0.01 -0.68 0.28 -0.12 0.00 0.00 0.00 173.10 172.57 3fa3 s PHE 189 N -1.25 0.59 -0.45 1.90 5.99 -0.46 -1.02 117.98 123.28 3fa3 s PHE 189 Ca 0.25 -1.64 -0.26 0.00 0.00 0.00 0.00 56.93 55.27 3fa3 s PHE 189 Cb -0.12 -0.80 0.03 0.00 0.00 0.00 0.00 43.02 42.12 3fa3 s PHE 189 CO 0.16 -0.86 0.98 -1.17 -0.00 0.00 0.00 175.22 174.33 3fa3 s LEU 190 N 0.88 3.91 -0.05 6.12 0.20 -1.26 -1.00 118.68 127.48 3fa3 s LEU 190 Ca 0.22 0.30 -0.30 0.00 0.69 0.00 0.00 54.13 55.04 3fa3 s LEU 190 Cb -0.15 -3.30 -0.02 0.00 -0.43 0.00 0.00 46.19 42.28 3fa3 s LEU 190 CO -0.05 -1.07 0.98 -0.70 -0.29 0.00 0.00 176.35 175.22 3fa3 s GLU 191 N 3.89 4.49 -0.23 1.98 2.56 -0.76 -4.07 118.70 126.57 3fa3 s GLU 191 Ca 0.40 1.38 -0.01 0.00 0.00 0.00 0.00 54.97 56.74 3fa3 s GLU 191 Cb -0.10 -3.50 0.00 0.00 2.00 0.00 0.00 34.13 32.54 3fa3 s GLU 191 CO 0.26 -0.16 0.20 0.41 -0.56 0.00 0.00 175.26 175.41 3fa3 n GLY 192 N 3.00 0.66 3.65 -1.50 0.00 -1.26 -4.55 105.19 105.19 3fa3 n GLY 192 Ca 0.07 -0.50 -0.61 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.80 0.08 0.57 -0.61 2.08 -1.26 -4.70 119.36 112.73 3fa3 n ILE 193 Ca -0.00 -0.01 0.11 0.00 0.56 0.00 0.00 62.75 63.41 3fa3 n ILE 193 Cb 0.51 -0.61 0.07 0.00 -0.75 0.00 0.00 39.64 38.86 3fa3 n ILE 193 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 3fa3 n THR 194 N 3.31 0.23 -3.88 1.39 -1.04 -1.26 -3.74 114.28 109.29 3fa3 n THR 194 Ca 0.25 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 3fa3 n THR 194 Cb 0.06 0.10 -0.09 0.00 -1.82 0.00 0.00 70.33 68.58 3fa3 n THR 194 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3fa3 s SER 195 N -4.02 0.11 0.31 8.00 1.04 -1.26 -4.48 113.70 113.40 3fa3 s SER 195 Ca 0.04 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 56.02 3fa3 s SER 195 Cb 0.14 0.28 0.50 0.00 0.10 0.00 0.00 66.02 67.04 3fa3 s SER 195 CO 0.78 -0.57 1.80 0.03 0.98 0.00 0.00 173.24 176.25 3fa3 h ARG 196 N 3.38 0.53 0.00 4.02 3.08 -1.96 -2.04 114.38 121.40 3fa3 h ARG 196 Ca -0.33 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.49 3fa3 h ARG 196 Cb 1.19 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 3fa3 h ARG 196 CO 0.51 0.63 -0.42 1.05 -1.07 0.00 0.00 179.97 180.67 3fa3 h GLU 197 N 0.50 0.00 0.84 0.04 -0.00 -2.00 -2.28 114.58 111.68 3fa3 h GLU 197 Ca 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.41 3fa3 h GLU 197 Cb 0.47 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.23 3fa3 h GLU 197 CO 0.03 0.42 -0.40 1.98 -0.00 0.00 0.00 179.01 181.04 3fa3 h MET 198 N 0.00 -1.09 -0.26 1.06 4.05 -1.79 -2.30 114.93 114.61 3fa3 h MET 198 Ca -0.00 0.07 0.04 0.00 -0.28 0.00 0.00 59.70 59.53 3fa3 h MET 198 Cb 0.84 0.25 -0.04 0.00 -0.80 0.00 0.00 31.60 31.85 3fa3 h MET 198 CO 0.05 -0.72 -0.11 0.00 0.23 0.00 0.00 176.91 176.36 3fa3 n ALA 199 N -2.62 -0.06 -0.02 0.39 0.00 -0.92 0.93 120.51 118.20 3fa3 n ALA 199 Ca -0.14 0.25 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 3fa3 n ALA 199 Cb 0.44 -0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 3fa3 n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 h ARG 200 N 0.00 0.18 -0.11 0.00 3.08 -1.42 -3.13 114.38 112.98 3fa3 h ARG 200 Ca 0.08 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3fa3 h ARG 200 Cb 0.14 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 3fa3 h ARG 200 CO -0.25 0.12 0.00 0.37 -1.07 0.00 0.00 179.97 179.14 3fa3 h GLN 201 N 0.19 0.19 -0.88 0.04 4.15 0.11 -3.06 115.11 115.85 3fa3 h GLN 201 Ca 0.05 -0.06 0.21 0.00 0.77 0.00 0.00 58.65 59.62 3fa3 h GLN 201 Cb -0.02 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.59 3fa3 h GLN 201 CO -0.01 0.43 0.59 0.28 -1.93 0.00 0.00 178.83 178.20 3fa3 h VAL 202 N -0.07 0.66 0.22 2.39 2.07 -0.96 -0.00 116.25 120.56 3fa3 h VAL 202 Ca 0.03 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3fa3 h VAL 202 Cb 0.35 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3fa3 h VAL 202 CO 0.01 0.06 -0.10 0.40 0.02 0.00 0.00 177.57 177.95 3fa3 h ILE 203 N 0.33 0.86 -0.02 4.57 2.04 -1.48 -0.38 117.51 123.43 3fa3 h ILE 203 Ca 0.45 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3fa3 h ILE 203 Cb 1.24 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 3fa3 h ILE 203 CO -0.14 0.12 0.01 1.56 0.00 0.00 0.00 178.15 179.70 3fa3 h GLN 204 N -0.57 0.00 0.05 2.37 4.20 -1.18 -2.84 115.11 117.13 3fa3 h GLN 204 Ca -0.03 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.39 3fa3 h GLN 204 Cb 0.42 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3fa3 h GLN 204 CO 0.05 0.00 -1.59 -0.44 -0.67 0.00 0.00 178.83 176.17 3fa3 h ASP 205 N 0.00 0.17 -2.44 1.46 5.19 -0.99 -3.29 116.42 116.52 3fa3 h ASP 205 Ca 0.01 -0.30 -0.77 0.00 -0.62 0.00 0.00 57.03 55.35 3fa3 h ASP 205 Cb 0.03 -0.06 -0.30 0.00 0.18 0.00 0.00 39.33 39.18 3fa3 h ASP 205 CO -0.00 1.26 0.68 0.18 -3.12 0.00 0.00 179.24 178.24 3fa3 n LEU 206 N -3.27 6.57 -4.74 1.55 4.77 -0.16 -5.05 117.00 116.67 3fa3 n LEU 206 Ca -0.16 -5.38 -0.41 0.00 -0.03 0.00 0.00 56.01 50.03 3fa3 n LEU 206 Cb 1.03 -1.10 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3fa3 n LEU 206 CO 0.47 1.98 0.92 0.00 -1.33 0.00 0.00 177.39 179.43 3fa3 s ALA 207 N -3.69 3.47 0.00 -1.18 0.00 -1.09 -3.15 121.76 116.13 3fa3 s ALA 207 Ca 0.38 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3fa3 s ALA 207 Cb 0.16 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3fa3 s ALA 207 CO -0.05 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.68 3fa3 n GLY 208 N 2.09 2.83 3.64 0.00 0.00 -1.26 -4.98 105.19 107.50 3fa3 n GLY 208 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.42 3.30 0.19 1.61 -0.00 -1.19 -5.01 118.94 116.43 3fa3 s TRP 209 Ca 0.00 1.00 -0.33 0.00 -0.00 0.00 0.00 56.10 56.78 3fa3 s TRP 209 Cb 0.00 -2.96 -0.14 0.00 -0.00 0.00 0.00 33.47 30.38 3fa3 s TRP 209 CO 0.00 -0.36 1.51 -2.30 -0.00 0.00 0.00 176.95 175.80 3fa3 n PRO 210 N 5.84 2.12 -4.31 5.86 -0.02 -1.26 -4.75 135.00 138.48 3fa3 n PRO 210 Ca 0.03 0.76 -0.26 0.00 -2.02 0.00 0.00 63.50 62.01 3fa3 n PRO 210 Cb 0.48 -2.49 -0.09 0.00 -0.02 0.00 0.00 33.50 31.38 3fa3 n PRO 210 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fa3 s LEU 211 N 0.55 2.96 0.01 2.45 1.43 -1.26 -0.82 118.68 124.00 3fa3 s LEU 211 Ca 0.74 -0.64 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 3fa3 s LEU 211 Cb -0.66 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 3fa3 s LEU 211 CO 0.43 0.08 -0.13 -0.22 0.23 0.00 0.00 176.35 176.74 3fa3 s LEU 212 N -3.05 2.87 -0.16 1.79 0.20 -0.19 -0.87 118.68 119.27 3fa3 s LEU 212 Ca 0.26 -0.26 0.01 0.00 0.69 0.00 0.00 54.13 54.83 3fa3 s LEU 212 Cb -0.08 -1.65 0.01 0.00 -0.43 0.00 0.00 46.19 44.03 3fa3 s LEU 212 CO 0.16 0.28 -0.19 -0.22 -0.29 0.00 0.00 176.35 176.09 3fa3 s LEU 213 N -1.31 2.25 -0.65 -0.68 2.96 0.13 -4.56 118.68 116.82 3fa3 s LEU 213 Ca 0.15 -0.57 -0.22 0.00 -0.22 0.00 0.00 54.13 53.27 3fa3 s LEU 213 Cb -0.11 -1.50 0.07 0.00 0.50 0.00 0.00 46.19 45.16 3fa3 s LEU 213 CO 0.05 0.06 0.93 0.21 -1.32 0.00 0.00 176.35 176.29 3fa3 s ASN 214 N 0.94 6.17 -1.12 3.68 2.47 -1.26 -1.11 114.94 124.71 3fa3 s ASN 214 Ca -0.04 -1.04 -0.15 0.00 0.42 0.00 0.00 52.86 52.06 3fa3 s ASN 214 Cb -0.15 -2.40 0.17 0.00 -1.45 0.00 0.00 41.25 37.42 3fa3 s ASN 214 CO -0.04 -1.40 1.31 -0.32 -3.72 0.00 0.00 177.10 172.93 3fa3 s MET 215 N 3.90 3.96 -0.33 0.43 -2.45 0.10 -4.83 119.30 120.08 3fa3 s MET 215 Ca 0.21 -2.44 -0.11 0.00 -1.25 0.00 0.00 55.69 52.10 3fa3 s MET 215 Cb -0.18 -4.96 -0.01 0.00 1.25 0.00 0.00 34.83 30.94 3fa3 s MET 215 CO 0.10 -1.70 0.20 0.08 1.05 0.00 0.00 175.02 174.74 3fa3 s VAL 216 N 1.53 4.89 0.39 10.11 1.01 -1.26 -4.32 120.40 132.76 3fa3 s VAL 216 Ca 0.38 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 3fa3 s VAL 216 Cb -0.04 -3.53 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 3fa3 s VAL 216 CO -0.03 -0.00 1.15 -1.61 0.00 0.00 0.00 175.10 174.60 3fa3 s GLU 217 N 1.65 4.11 -1.47 2.72 2.02 -1.26 -3.35 118.70 123.11 3fa3 s GLU 217 Ca 0.05 1.79 -0.00 0.00 0.02 0.00 0.00 54.97 56.83 3fa3 s GLU 217 Cb -0.17 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.37 3fa3 s GLU 217 CO 0.08 -0.26 0.03 0.72 0.02 0.00 0.00 175.26 175.86 3fa3 n HIS 218 N 0.12 -0.88 -1.02 1.61 8.25 -1.26 -4.95 115.22 117.09 3fa3 n HIS 218 Ca 0.04 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3fa3 n HIS 218 Cb 0.47 -3.50 0.00 0.00 1.12 0.00 0.00 29.99 28.07 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 -1.04 3.34 0.02 -1.41 0.00 -1.21 -4.97 105.19 99.91 3fa3 n GLY 219 Ca -0.20 -1.81 0.14 0.00 0.00 0.00 0.00 46.02 44.15 3fa3 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 n ALA 220 N -3.00 2.57 -2.86 4.61 0.00 -1.26 -4.84 120.51 115.74 3fa3 n ALA 220 Ca 0.00 -0.16 -0.34 0.00 0.00 0.00 0.00 53.44 52.93 3fa3 n ALA 220 Cb 0.00 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 17.93 3fa3 n ALA 220 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fa3 s THR 221 N -2.79 4.42 0.62 0.00 2.01 -1.24 -4.19 115.64 114.46 3fa3 s THR 221 Ca 0.20 -0.17 -0.19 0.00 0.31 0.00 0.00 61.69 61.84 3fa3 s THR 221 Cb 0.19 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 3fa3 s THR 221 CO 0.52 0.49 1.28 -2.65 -0.69 0.00 0.00 174.62 173.57 3fa3 n PRO 222 N 3.35 1.22 -2.10 4.92 -0.02 -1.26 -4.48 135.00 136.63 3fa3 n PRO 222 Ca -0.17 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 3fa3 n PRO 222 Cb 0.52 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 3fa3 n PRO 222 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3fa3 s SER 223 N -1.27 6.75 -0.06 2.55 0.15 -1.26 -4.97 113.70 115.59 3fa3 s SER 223 Ca 0.80 2.28 -0.01 0.00 0.70 0.00 0.00 55.95 59.72 3fa3 s SER 223 Cb -0.39 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.38 3fa3 s SER 223 CO 0.43 -0.78 0.00 -0.63 1.20 0.00 0.00 173.24 173.46 3fa3 s ILE 224 N 2.33 0.32 0.98 6.45 1.01 -1.26 -5.12 121.20 125.91 3fa3 s ILE 224 Ca 0.68 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.32 3fa3 s ILE 224 Cb -0.35 -0.46 0.18 0.00 0.01 0.00 0.00 42.46 41.83 3fa3 s ILE 224 CO 0.29 0.23 1.08 -0.55 0.00 0.00 0.00 174.94 175.99 3fa3 s SER 225 N 1.68 2.67 0.05 3.58 0.15 -1.26 -4.81 113.70 115.76 3fa3 s SER 225 Ca 0.00 1.59 -0.24 0.00 0.70 0.00 0.00 55.95 58.00 3fa3 s SER 225 Cb -0.13 -2.25 -0.17 0.00 -1.71 0.00 0.00 66.02 61.76 3fa3 s SER 225 CO -0.04 -3.16 1.56 0.00 1.20 0.00 0.00 173.24 172.81 3fa3 h ALA 226 N -1.91 -0.06 -1.00 5.45 0.00 -2.01 0.54 119.26 120.26 3fa3 h ALA 226 Ca -0.52 -0.09 0.22 0.00 0.00 0.00 0.00 54.91 54.52 3fa3 h ALA 226 Cb 1.30 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 3fa3 h ALA 226 CO 0.51 -0.45 0.62 0.00 0.00 0.00 0.00 179.25 179.93 3fa3 h ALA 227 N 0.72 1.88 0.14 0.00 0.00 -2.00 -0.92 119.26 119.08 3fa3 h ALA 227 Ca -0.01 0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 3fa3 h ALA 227 Cb 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3fa3 h ALA 227 CO 0.01 -0.28 -1.16 1.49 0.00 0.00 0.00 179.25 179.31 3fa3 h GLU 228 N 0.60 0.29 -0.85 0.00 4.81 -1.93 -2.81 114.58 114.70 3fa3 h GLU 228 Ca 0.59 -0.50 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3fa3 h GLU 228 Cb 1.14 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.66 3fa3 h GLU 228 CO -0.37 1.24 0.56 0.00 -0.73 0.00 0.00 179.01 179.71 3fa3 h ALA 229 N 0.03 1.47 0.27 2.92 0.00 -0.55 1.14 119.26 124.53 3fa3 h ALA 229 Ca -0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3fa3 h ALA 229 Cb 1.75 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3fa3 h ALA 229 CO 0.12 0.45 -0.15 -0.22 0.00 0.00 0.00 179.25 179.45 3fa3 h LYS 230 N 1.06 -0.37 -0.97 0.00 3.64 -1.28 -0.75 116.57 117.91 3fa3 h LYS 230 Ca 0.34 0.03 0.30 0.00 -1.27 0.00 0.00 60.65 60.04 3fa3 h LYS 230 Cb 0.02 0.08 -0.17 0.00 -0.41 0.00 0.00 32.23 31.75 3fa3 h LYS 230 CO -0.10 -0.25 0.19 1.49 -2.27 0.00 0.00 179.45 178.52 3fa3 h GLU 231 N -0.38 0.05 -0.19 1.90 4.81 -1.19 0.27 114.58 119.85 3fa3 h GLU 231 Ca -0.04 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3fa3 h GLU 231 Cb 0.30 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3fa3 h GLU 231 CO 0.05 0.04 0.20 0.52 -0.73 0.00 0.00 179.01 179.08 3fa3 h MET 232 N 0.05 0.00 0.00 1.92 2.86 0.14 -3.45 114.93 116.46 3fa3 h MET 232 Ca 0.64 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.28 3fa3 h MET 232 Cb 1.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.09 3fa3 h MET 232 CO -0.83 0.00 0.00 0.41 1.06 0.00 0.00 176.91 177.55 3fa3 n GLY 233 N -1.43 1.86 3.93 8.32 0.00 0.94 -4.92 105.19 113.89 3fa3 n GLY 233 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 3.11 -0.04 1.61 0.40 -0.30 -4.76 117.98 116.00 3fa3 s PHE 234 Ca 0.00 0.50 0.11 0.00 -0.60 0.00 0.00 56.93 56.94 3fa3 s PHE 234 Cb 0.00 -2.87 -0.16 0.00 0.51 0.00 0.00 43.02 40.50 3fa3 s PHE 234 CO 0.00 -1.00 0.18 0.54 0.70 0.00 0.00 175.22 175.64 3fa3 n ARG 235 N -2.65 0.96 -3.78 0.44 5.12 -0.05 -4.55 116.66 112.15 3fa3 n ARG 235 Ca 0.06 -0.07 -0.14 0.00 -1.93 0.00 0.00 57.85 55.77 3fa3 n ARG 235 Cb 0.59 -1.26 -0.14 0.00 -1.16 0.00 0.00 32.46 30.48 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 -2.61 -0.04 -0.01 0.55 1.01 -0.78 0.50 121.20 119.82 3fa3 s ILE 236 Ca -0.04 0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.82 3fa3 s ILE 236 Cb 0.06 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.33 3fa3 s ILE 236 CO 0.45 0.06 -0.23 -0.51 0.00 0.00 0.00 174.94 174.70 3fa3 s ILE 237 N 0.84 2.32 0.05 2.92 2.07 -0.20 0.21 121.20 129.40 3fa3 s ILE 237 Ca -0.07 -1.07 0.04 0.00 -1.41 0.00 0.00 60.65 58.15 3fa3 s ILE 237 Cb -0.09 -1.85 -0.02 0.00 0.13 0.00 0.00 42.46 40.63 3fa3 s ILE 237 CO -0.04 0.54 -0.13 0.27 -1.91 0.00 0.00 174.94 173.67 3fa3 s ILE 238 N -0.68 1.01 -0.60 2.00 -4.36 -0.27 -1.13 121.20 117.18 3fa3 s ILE 238 Ca 0.11 -1.05 0.05 0.00 -0.26 0.00 0.00 60.65 59.49 3fa3 s ILE 238 Cb -0.10 -0.95 0.18 0.00 1.25 0.00 0.00 42.46 42.84 3fa3 s ILE 238 CO 0.00 -0.10 0.47 0.49 0.24 0.00 0.00 174.94 176.05 3fa3 n PHE 239 N 1.73 1.83 -0.33 1.37 3.01 -1.04 0.02 117.46 124.05 3fa3 n PHE 239 Ca -0.19 -3.96 0.27 0.00 1.01 0.00 0.00 57.45 54.58 3fa3 n PHE 239 Cb 0.55 -0.33 0.51 0.00 -0.01 0.00 0.00 39.48 40.19 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 5.29 0.08 -0.77 -1.08 0.11 -1.88 -0.08 132.00 133.68 3fa3 h PRO 240 Ca 0.19 -0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.82 3fa3 h PRO 240 Cb 0.80 -0.02 -0.26 0.00 0.11 0.00 0.00 31.00 31.62 3fa3 h PRO 240 CO 0.61 0.06 0.25 1.19 -0.21 0.00 0.00 178.00 179.90 3fa3 n PHE 241 N -5.24 2.48 0.59 0.65 3.01 -1.26 -4.34 117.46 113.35 3fa3 n PHE 241 Ca 0.34 -2.20 0.13 0.00 1.01 0.00 0.00 57.45 56.72 3fa3 n PHE 241 Cb 1.11 -0.86 0.31 0.00 -0.01 0.00 0.00 39.48 40.03 3fa3 n PHE 241 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fa3 h ALA 242 N 1.50 0.85 0.00 4.37 0.00 -1.64 -2.40 119.26 121.94 3fa3 h ALA 242 Ca 0.46 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 55.11 3fa3 h ALA 242 Cb 1.67 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 3fa3 h ALA 242 CO 0.98 0.00 -1.99 0.00 0.00 0.00 0.00 179.25 178.24 3fa3 n ALA 243 N -1.81 1.64 -0.05 0.00 0.00 -1.21 -4.73 120.51 114.34 3fa3 n ALA 243 Ca 0.05 -0.88 -0.01 0.00 0.00 0.00 0.00 53.44 52.61 3fa3 n ALA 243 Cb 0.44 -0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.88 3fa3 n ALA 243 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3fa3 h LEU 244 N 0.00 0.00 -0.19 0.00 6.46 -1.81 -2.03 115.31 117.74 3fa3 h LEU 244 Ca -0.39 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.37 3fa3 h LEU 244 Cb 1.78 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.69 3fa3 h LEU 244 CO -0.01 0.53 -0.11 1.23 -0.62 0.00 0.00 178.44 179.46 3fa3 h GLY 245 N -1.00 -2.35 -0.08 3.75 0.00 -1.75 0.37 103.07 102.01 3fa3 h GLY 245 Ca -0.00 1.09 0.11 0.00 0.00 0.00 0.00 47.33 48.53 3fa3 h GLY 245 CO -0.00 -0.83 -0.14 -0.56 0.00 0.00 0.00 176.54 175.01 3fa3 h PRO 246 N -0.00 -0.01 -0.71 4.80 0.13 -1.77 -1.68 132.00 132.76 3fa3 h PRO 246 Ca 0.03 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.24 3fa3 h PRO 246 Cb 0.08 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.15 3fa3 h PRO 246 CO -0.18 -0.01 0.37 0.00 -0.23 0.00 0.00 178.00 177.96 3fa3 h ALA 247 N 1.49 0.97 0.16 -0.56 0.00 -0.35 0.33 119.26 121.31 3fa3 h ALA 247 Ca 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3fa3 h ALA 247 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3fa3 h ALA 247 CO -0.55 0.00 -0.08 0.28 0.00 0.00 0.00 179.25 178.91 3fa3 h VAL 248 N 0.65 0.88 -0.57 0.00 2.07 0.04 -1.68 116.25 117.64 3fa3 h VAL 248 Ca 0.34 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.75 3fa3 h VAL 248 Cb 0.30 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3fa3 h VAL 248 CO -0.23 0.03 0.34 0.00 0.02 0.00 0.00 177.57 177.73 3fa3 h ALA 249 N 0.56 0.74 0.00 1.67 0.00 -0.85 -1.46 119.26 119.92 3fa3 h ALA 249 Ca -0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3fa3 h ALA 249 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3fa3 h ALA 249 CO 0.04 0.06 -0.51 0.00 0.00 0.00 0.00 179.25 178.84 3fa3 h ALA 250 N 1.26 0.92 0.00 0.00 0.00 -0.81 -2.69 119.26 117.94 3fa3 h ALA 250 Ca 0.23 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 3fa3 h ALA 250 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3fa3 h ALA 250 CO -0.11 0.64 -0.91 0.52 0.00 0.00 0.00 179.25 179.39 3fa3 h MET 251 N 0.00 0.00 0.18 0.00 2.86 -1.24 -2.53 114.93 114.21 3fa3 h MET 251 Ca -0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3fa3 h MET 251 Cb 1.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 3fa3 h MET 251 CO 0.07 0.81 -0.12 -0.09 1.06 0.00 0.00 176.91 178.64 3fa3 h ARG 252 N 0.00 -0.29 -0.21 1.72 2.43 -1.03 -1.77 114.38 115.23 3fa3 h ARG 252 Ca -0.03 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3fa3 h ARG 252 Cb 1.67 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.28 3fa3 h ARG 252 CO 0.11 -0.20 -0.08 0.93 -1.51 0.00 0.00 179.97 179.22 3fa3 h GLU 253 N -0.30 0.42 -0.60 0.20 5.08 -1.58 -2.99 114.58 114.81 3fa3 h GLU 253 Ca -0.01 -0.18 0.13 0.00 -1.00 0.00 0.00 59.36 58.29 3fa3 h GLU 253 Cb 0.26 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3fa3 h GLU 253 CO 0.01 0.70 0.41 0.00 -1.00 0.00 0.00 179.01 179.13 3fa3 h ALA 254 N 0.71 2.19 -0.00 3.43 0.00 -1.49 0.99 119.26 125.10 3fa3 h ALA 254 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fa3 h ALA 254 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3fa3 h ALA 254 CO 0.03 -0.35 -0.05 -1.33 0.00 0.00 0.00 179.25 177.55 3fa3 n MET 255 N -4.45 0.14 -0.13 0.00 2.81 -0.67 -1.27 117.12 113.56 3fa3 n MET 255 Ca 0.11 -0.01 -0.19 0.00 -1.81 0.00 0.00 57.70 55.79 3fa3 n MET 255 Cb 0.48 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.37 3fa3 n MET 255 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3fa3 n GLU 256 N -1.42 0.65 -0.08 0.03 -0.58 0.15 -2.74 120.64 116.65 3fa3 n GLU 256 Ca 0.09 0.16 -0.07 0.00 -0.42 0.00 0.00 57.16 56.92 3fa3 n GLU 256 Cb 0.31 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 3fa3 n GLU 256 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3fa3 h LYS 257 N -0.07 0.19 -0.83 3.49 3.64 -1.12 0.27 116.57 122.14 3fa3 h LYS 257 Ca -0.59 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.80 3fa3 h LYS 257 Cb 1.88 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.61 3fa3 h LYS 257 CO -0.11 0.13 0.54 1.25 -2.27 0.00 0.00 179.45 178.99 3fa3 h LEU 258 N 0.20 0.93 -1.19 5.20 5.85 -1.34 0.22 115.31 125.19 3fa3 h LEU 258 Ca 0.14 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3fa3 h LEU 258 Cb 0.14 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3fa3 h LEU 258 CO -0.17 0.66 -0.33 0.50 -0.34 0.00 0.00 178.44 178.77 3fa3 h LYS 259 N 1.10 0.00 0.00 1.25 3.11 -1.20 -1.96 116.57 118.86 3fa3 h LYS 259 Ca 0.31 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.15 3fa3 h LYS 259 Cb -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.14 3fa3 h LYS 259 CO -0.08 0.33 0.00 0.54 -2.81 0.00 0.00 179.45 177.43 3fa3 n ARG 260 N -3.66 0.00 0.00 1.90 1.74 0.88 -4.54 116.66 112.98 3fa3 n ARG 260 Ca -0.01 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 3fa3 n ARG 260 Cb 0.44 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 3fa3 n ARG 260 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3fa3 n ASP 261 N -2.16 0.50 -1.53 0.55 8.00 0.78 -4.82 116.55 117.86 3fa3 n ASP 261 Ca 0.00 -1.53 -0.04 0.00 0.71 0.00 0.00 54.79 53.92 3fa3 n ASP 261 Cb 0.00 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 40.84 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 0.17 0.12 3.59 0.44 0.00 -0.74 -4.85 105.19 103.92 3fa3 n GLY 262 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.61 0.00 0.07 -0.61 2.07 -1.24 -5.06 121.20 114.83 3fa3 s ILE 263 Ca 0.00 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.09 3fa3 s ILE 263 Cb 0.00 -1.00 -0.15 0.00 0.13 0.00 0.00 42.46 41.44 3fa3 s ILE 263 CO 0.00 0.00 1.29 1.55 -1.91 0.00 0.00 174.94 175.87 3fa3 h PRO 264 N 3.68 0.66 -4.13 3.50 0.13 -1.88 -3.36 132.00 130.59 3fa3 h PRO 264 Ca -0.26 -0.50 -0.17 0.00 -0.87 0.00 0.00 66.00 64.20 3fa3 h PRO 264 Cb 1.16 0.09 0.10 0.00 0.13 0.00 0.00 31.00 32.48 3fa3 h PRO 264 CO 0.22 1.12 -0.45 0.41 -0.23 0.00 0.00 178.00 179.08 3fa3 n GLY 265 N 0.61 -0.07 3.77 1.56 0.00 -1.26 -4.65 105.19 105.15 3fa3 n GLY 265 Ca -0.07 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3fa3 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fa3 s LEU 266 N -4.43 4.21 0.11 0.99 1.43 -1.26 -4.93 118.68 114.81 3fa3 s LEU 266 Ca 0.06 2.93 -0.34 0.00 -1.03 0.00 0.00 54.13 55.75 3fa3 s LEU 266 Cb -0.01 -3.82 -0.14 0.00 0.03 0.00 0.00 46.19 42.25 3fa3 s LEU 266 CO 0.41 -1.00 1.58 -0.67 0.23 0.00 0.00 176.35 176.90 3fa3 n ASP 267 N 0.13 2.93 -0.51 2.29 4.64 -1.26 -4.81 116.55 119.96 3fa3 n ASP 267 Ca 0.03 1.08 0.38 0.00 -1.38 0.00 0.00 54.79 54.90 3fa3 n ASP 267 Cb 0.41 -1.38 0.60 0.00 -1.04 0.00 0.00 41.12 39.70 3fa3 n ASP 267 CO 0.00 0.00 0.00 2.29 -0.82 0.00 0.00 177.20 178.67 3fa3 n LYS 268 N 3.70 -0.00 0.00 -0.67 -0.00 -1.26 -0.68 118.16 119.24 3fa3 n LYS 268 Ca 0.18 0.82 0.14 0.00 -0.00 0.00 0.00 58.31 59.45 3fa3 n LYS 268 Cb 0.27 -1.86 0.56 0.00 -0.00 0.00 0.00 35.03 34.01 3fa3 n LYS 268 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3fa3 n GLU 269 N -3.53 0.29 -1.78 -1.58 2.13 -1.26 -3.93 120.64 110.98 3fa3 n GLU 269 Ca 0.33 -0.08 -0.37 0.00 0.66 0.00 0.00 57.16 57.70 3fa3 n GLU 269 Cb 1.46 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 31.65 3fa3 n GLU 269 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3fa3 n MET 270 N -1.29 4.01 -1.01 5.31 2.81 0.14 -4.73 117.12 122.37 3fa3 n MET 270 Ca 0.10 -3.01 -0.33 0.00 -1.81 0.00 0.00 57.70 52.66 3fa3 n MET 270 Cb 0.30 -2.55 0.14 0.00 -0.71 0.00 0.00 33.22 30.40 3fa3 n MET 270 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3fa3 s THR 271 N -0.81 2.14 0.16 2.03 -4.23 -1.25 -4.84 115.64 108.84 3fa3 s THR 271 Ca 0.58 0.06 -0.15 0.00 -1.18 0.00 0.00 61.69 60.99 3fa3 s THR 271 Cb 0.22 -2.35 0.03 0.00 1.34 0.00 0.00 72.50 71.75 3fa3 s THR 271 CO -0.11 -0.05 1.78 -0.65 -0.54 0.00 0.00 174.62 175.05 3fa3 h PRO 272 N -1.18 0.39 -1.03 3.99 0.11 -1.96 -1.97 132.00 130.35 3fa3 h PRO 272 Ca -0.45 -0.02 0.27 0.00 0.11 0.00 0.00 66.00 65.90 3fa3 h PRO 272 Cb 1.28 -0.09 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 3fa3 h PRO 272 CO 0.45 0.26 0.69 -0.56 -0.21 0.00 0.00 178.00 178.63 3fa3 h GLN 273 N 0.41 0.29 -0.10 1.05 -0.00 -1.94 0.43 115.11 115.26 3fa3 h GLN 273 Ca 0.18 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.79 3fa3 h GLN 273 Cb 0.09 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.48 27.50 3fa3 h GLN 273 CO -0.13 0.19 0.00 1.98 -0.00 0.00 0.00 178.83 180.88 3fa3 h MET 274 N 0.30 0.17 -0.22 0.06 4.05 -1.67 -1.45 114.93 116.17 3fa3 h MET 274 Ca 0.56 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.85 3fa3 h MET 274 Cb 1.59 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.36 3fa3 h MET 274 CO -0.21 0.42 -0.17 -0.07 0.23 0.00 0.00 176.91 177.11 3fa3 h LEU 275 N -0.10 0.37 -0.04 3.39 4.07 0.41 0.12 115.31 123.53 3fa3 h LEU 275 Ca 0.03 -0.10 -0.25 0.00 0.08 0.00 0.00 57.88 57.64 3fa3 h LEU 275 Cb 0.34 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.99 3fa3 h LEU 275 CO 0.00 0.57 -1.08 -0.26 -1.08 0.00 0.00 178.44 176.59 3fa3 h PHE 276 N 0.35 0.56 -0.02 1.13 0.05 -0.84 -3.05 116.94 115.12 3fa3 h PHE 276 Ca 0.06 -0.35 -0.05 0.00 3.82 0.00 0.00 57.97 61.45 3fa3 h PHE 276 Cb 0.51 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 38.41 3fa3 h PHE 276 CO 0.01 1.21 -0.24 0.00 -0.18 0.00 0.00 178.31 179.11 3fa3 h ARG 277 N 0.16 0.04 -0.67 1.51 3.08 -0.71 0.21 114.38 118.00 3fa3 h ARG 277 Ca -0.11 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.06 3fa3 h ARG 277 Cb 1.75 -0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.71 3fa3 h ARG 277 CO 0.18 0.28 0.22 0.28 -1.07 0.00 0.00 179.97 179.87 3fa3 h VAL 278 N 0.03 0.67 -1.02 2.04 2.07 -0.70 -3.06 116.25 116.30 3fa3 h VAL 278 Ca 0.00 -0.13 -0.56 0.00 0.82 0.00 0.00 66.70 66.83 3fa3 h VAL 278 Cb 0.45 0.27 -0.22 0.00 -1.52 0.00 0.00 31.29 30.26 3fa3 h VAL 278 CO 0.03 0.07 0.70 0.00 0.02 0.00 0.00 177.57 178.39 3fa3 n GLY 280 N -0.21 0.69 0.24 0.00 0.00 -1.02 -4.91 105.19 99.98 3fa3 n GLY 280 Ca 0.50 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.64 -0.43 0.99 5.85 -1.62 0.14 115.31 119.60 3fa3 h LEU 281 Ca -0.10 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3fa3 h LEU 281 Cb 0.41 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3fa3 h LEU 281 CO 0.15 -0.24 0.23 0.44 -0.34 0.00 0.00 178.44 178.68 3fa3 h ASP 282 N -0.20 0.53 -0.79 1.25 3.32 -1.87 0.16 116.42 118.82 3fa3 h ASP 282 Ca 0.14 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.12 3fa3 h ASP 282 Cb 0.40 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 3fa3 h ASP 282 CO -0.35 0.47 0.50 -0.33 -1.72 0.00 0.00 179.24 177.81 3fa3 h GLU 283 N 0.55 0.96 -0.13 3.56 3.07 -1.93 -2.53 114.58 118.14 3fa3 h GLU 283 Ca 0.15 -0.06 0.04 0.00 -0.50 0.00 0.00 59.36 58.99 3fa3 h GLU 283 Cb 0.06 -0.22 -0.04 0.00 -0.84 0.00 0.00 28.75 27.71 3fa3 h GLU 283 CO -0.02 0.64 -0.12 0.77 -1.40 0.00 0.00 179.01 178.88 3fa3 h SER 284 N 0.99 -0.37 0.63 1.42 0.02 0.15 -2.66 113.55 113.73 3fa3 h SER 284 Ca 0.31 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3fa3 h SER 284 Cb -0.01 0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3fa3 h SER 284 CO -0.10 -0.16 0.00 0.24 -1.14 0.00 0.00 176.83 175.67 3fa3 h MET 285 N -0.14 0.00 0.06 3.45 2.07 -0.46 -2.92 114.93 116.99 3fa3 h MET 285 Ca 0.09 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.62 3fa3 h MET 285 Cb 0.26 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.00 3fa3 h MET 285 CO -0.21 0.00 -0.41 -0.22 1.07 0.00 0.00 176.91 177.14 3fa3 h LYS 286 N 0.00 0.17 -0.54 1.72 3.64 -1.11 -1.00 116.57 119.45 3fa3 h LYS 286 Ca 0.00 -0.27 0.06 0.00 -1.27 0.00 0.00 60.65 59.17 3fa3 h LYS 286 Cb 0.31 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.14 3fa3 h LYS 286 CO 0.00 1.09 -0.52 0.28 -2.27 0.00 0.00 179.45 178.03 3fa3 h VAL 287 N -0.61 0.00 -0.38 2.00 2.07 -1.36 1.01 116.25 118.97 3fa3 h VAL 287 Ca -0.07 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 3fa3 h VAL 287 Cb 1.28 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3fa3 h VAL 287 CO 0.08 0.00 0.01 -0.78 0.02 0.00 0.00 177.57 176.89 3fa3 h ASP 288 N -0.26 0.57 0.58 0.57 3.58 -1.63 -1.61 116.42 118.22 3fa3 h ASP 288 Ca 0.09 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 3fa3 h ASP 288 Cb 0.50 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.40 3fa3 h ASP 288 CO -0.65 0.64 -0.28 0.00 -2.88 0.00 0.00 179.24 176.07 3fa3 h ALA 289 N 1.44 -0.77 -0.53 -0.78 0.00 -0.42 -0.51 119.26 117.68 3fa3 h ALA 289 Ca 0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3fa3 h ALA 289 Cb 0.36 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3fa3 h ALA 289 CO 0.01 -0.91 0.18 1.96 0.00 0.00 0.00 179.25 180.49 3fa3 h GLN 290 N -0.82 0.78 0.00 0.00 4.20 0.14 -2.83 115.11 116.57 3fa3 h GLN 290 Ca -0.08 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3fa3 h GLN 290 Cb 0.61 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3fa3 h GLN 290 CO 0.13 0.67 0.00 0.00 -0.67 0.00 0.00 178.83 178.96 3fa3 n ALA 291 N -2.46 2.04 -0.32 3.87 0.00 -0.63 -4.73 120.51 118.29 3fa3 n ALA 291 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3fa3 n ALA 291 Cb 0.18 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.02 0.69 3.73 0.00 0.00 -1.07 -5.04 105.19 103.47 3fa3 n GLY 292 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.37 2.54 0.00 -0.02 0.00 -0.20 -4.98 107.32 103.28 3fa3 s GLY 293 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 44.72 45.70 3fa3 s GLY 293 CO 0.00 1.39 0.43 0.00 0.00 0.00 0.00 173.10 174.92 3fa3 n ALA 294 N -2.31 1.39 0.39 3.20 0.00 -1.26 -4.37 120.51 117.55 3fa3 n ALA 294 Ca 0.14 -0.43 0.09 0.00 0.00 0.00 0.00 53.44 53.24 3fa3 n ALA 294 Cb 0.50 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.34 3fa3 n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 n ALA 295 N -0.09 1.57 -0.09 0.00 0.00 -1.26 -3.29 120.51 117.35 3fa3 n ALA 295 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 3fa3 n ALA 295 Cb 0.20 -1.29 -0.08 0.00 0.00 0.00 0.00 19.45 18.28 3fa3 n ALA 295 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fa3 n PHE 296 N -1.90 0.00 -1.20 0.00 3.01 -1.26 -5.02 117.46 111.09 3fa3 n PHE 296 Ca 0.02 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.04 3fa3 n PHE 296 Cb 0.18 -0.70 -0.04 0.00 -0.01 0.00 0.00 39.48 38.90 3fa3 n PHE 296 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3fa3 n ASP 297 N -3.25 -0.62 0.00 4.37 8.00 -1.21 -0.63 116.55 123.22 3fa3 n ASP 297 Ca -0.34 0.95 0.00 0.00 0.71 0.00 0.00 54.79 56.11 3fa3 n ASP 297 Cb 0.83 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 3fa3 n ASP 297 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fa3 n GLY 298 N 1.50 2.91 0.00 0.44 0.00 -1.26 -5.01 105.19 103.77 3fa3 n GLY 298 Ca 0.16 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 1.38 0.00 -0.02 0.00 0.20 -4.69 105.19 102.06 3fa3 n GLY 299 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3fa3 n GLY 299 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3fa3 n VAL 300 N 0.00 0.00 -1.55 1.61 3.14 -1.26 -4.90 118.33 115.37 3fa3 n VAL 300 Ca 0.00 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 3fa3 n VAL 300 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 3fa3 n VAL 300 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3fa3 n ASP 301 N 0.00 2.55 0.00 6.55 8.00 -1.26 -4.99 116.55 127.40 3fa3 n ASP 301 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.43 3fa3 n ASP 301 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 39.61 3fa3 n ASP 301 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81