#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa4 s VAL 4 N 0.00 0.91 0.34 2.03 -7.23 -1.26 -5.15 120.40 110.04 3fa4 s VAL 4 Ca 0.00 -1.57 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 3fa4 s VAL 4 Cb 0.00 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 3fa4 s VAL 4 CO 0.00 -0.52 0.12 0.42 -0.31 0.00 0.00 175.10 174.81 3fa4 s THR 5 N -2.27 0.61 0.28 5.32 -4.23 -1.26 -5.03 115.64 109.07 3fa4 s THR 5 Ca 0.04 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.60 3fa4 s THR 5 Cb -0.04 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 71.30 3fa4 s THR 5 CO 0.00 0.00 1.68 0.00 -0.54 0.00 0.00 174.62 175.77 3fa4 h ALA 6 N 2.07 1.07 -0.71 3.99 0.00 -1.79 -2.78 119.26 121.11 3fa4 h ALA 6 Ca -0.36 -0.41 0.10 0.00 0.00 0.00 0.00 54.91 54.24 3fa4 h ALA 6 Cb 1.26 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 3fa4 h ALA 6 CO 0.58 0.60 -0.29 0.00 0.00 0.00 0.00 179.25 180.13 3fa4 n ALA 7 N -2.48 -0.13 0.01 0.00 0.00 -1.26 -0.29 120.51 116.37 3fa4 n ALA 7 Ca -0.01 0.70 -0.12 0.00 0.00 0.00 0.00 53.44 54.00 3fa4 n ALA 7 Cb 0.48 -0.29 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 3fa4 n ALA 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3fa4 h THR 8 N 0.00 1.13 -0.39 0.00 2.02 -1.75 0.90 112.91 114.82 3fa4 h THR 8 Ca 0.23 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 3fa4 h THR 8 Cb 0.41 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3fa4 h THR 8 CO -0.70 0.10 0.03 0.77 0.37 0.00 0.00 175.52 176.09 3fa4 h SER 9 N -0.13 0.66 -0.61 4.18 4.64 -1.44 -0.23 113.55 120.63 3fa4 h SER 9 Ca 0.01 -0.29 0.13 0.00 -0.47 0.00 0.00 61.79 61.16 3fa4 h SER 9 Cb 0.16 -0.18 -0.10 0.00 -0.31 0.00 0.00 62.40 61.97 3fa4 h SER 9 CO -0.00 0.78 0.00 0.25 -0.87 0.00 0.00 176.83 176.99 3fa4 h LEU 10 N 0.51 -0.26 -0.44 5.97 5.85 -0.62 0.62 115.31 126.94 3fa4 h LEU 10 Ca 0.12 0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 3fa4 h LEU 10 Cb 0.43 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3fa4 h LEU 10 CO 0.01 -0.11 0.01 -0.09 -0.34 0.00 0.00 178.44 177.93 3fa4 h ARG 11 N 0.12 0.76 -0.63 1.25 2.43 -0.15 -0.70 114.38 117.46 3fa4 h ARG 11 Ca 0.32 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3fa4 h ARG 11 Cb 0.51 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3fa4 h ARG 11 CO -0.52 0.82 0.06 0.00 -1.51 0.00 0.00 179.97 178.82 3fa4 h ARG 12 N 0.61 1.08 -0.64 0.20 2.47 -0.68 -2.24 114.38 115.18 3fa4 h ARG 12 Ca 0.13 -0.31 -0.01 0.00 -1.26 0.00 0.00 59.98 58.52 3fa4 h ARG 12 Cb 0.47 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.64 3fa4 h ARG 12 CO 0.02 1.01 0.34 0.00 0.56 0.00 0.00 179.97 181.90 3fa4 h ALA 13 N 1.05 1.40 0.00 0.04 0.00 -0.56 -0.78 119.26 120.41 3fa4 h ALA 13 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3fa4 h ALA 13 Cb 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3fa4 h ALA 13 CO 0.02 0.49 0.00 -0.07 0.00 0.00 0.00 179.25 179.69 3fa4 h LEU 14 N 0.89 0.00 0.00 0.00 3.38 -0.55 -1.86 115.31 117.17 3fa4 h LEU 14 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3fa4 h LEU 14 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fa4 h LEU 14 CO -0.04 0.00 -0.74 -0.33 0.09 0.00 0.00 178.44 177.42 3fa4 h GLU 15 N 0.00 0.00 -5.75 1.13 5.08 -0.74 -3.44 114.58 110.86 3fa4 h GLU 15 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 3fa4 h GLU 15 Cb 0.49 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.63 3fa4 h GLU 15 CO 0.00 0.00 0.35 1.21 -1.00 0.00 0.00 179.01 179.57 3fa4 s ASN 16 N -5.23 6.56 0.48 1.42 3.84 -0.70 -4.96 114.94 116.35 3fa4 s ASN 16 Ca 0.02 0.38 0.32 0.00 0.21 0.00 0.00 52.86 53.80 3fa4 s ASN 16 Cb 0.10 -2.39 1.74 0.00 -0.55 0.00 0.00 41.25 40.15 3fa4 s ASN 16 CO 0.75 -0.69 1.99 -0.65 -2.79 0.00 0.00 177.10 175.71 3fa4 h PRO 17 N 8.41 0.00 0.00 0.43 0.11 -1.84 -2.34 132.00 136.76 3fa4 h PRO 17 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3fa4 h PRO 17 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3fa4 h PRO 17 CO 0.90 0.00 -0.99 -0.25 -0.21 0.00 0.00 178.00 177.44 3fa4 n ASP 18 N -2.64 0.68 -4.74 -2.05 8.00 -1.26 -4.89 116.55 109.64 3fa4 n ASP 18 Ca -0.02 0.08 -0.40 0.00 0.71 0.00 0.00 54.79 55.16 3fa4 n ASP 18 Cb 0.06 0.60 -0.05 0.00 -0.02 0.00 0.00 41.12 41.71 3fa4 n ASP 18 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3fa4 s SER 19 N -4.57 7.41 -0.06 -2.24 1.04 -0.88 -5.04 113.70 109.36 3fa4 s SER 19 Ca 0.02 1.68 0.01 0.00 0.48 0.00 0.00 55.95 58.14 3fa4 s SER 19 Cb 0.12 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.72 3fa4 s SER 19 CO 0.79 0.04 -0.08 0.12 0.98 0.00 0.00 173.24 175.09 3fa4 s PHE 20 N -0.38 1.10 -0.28 5.02 5.36 -1.26 -4.91 117.98 122.63 3fa4 s PHE 20 Ca 0.42 -0.39 -0.14 0.00 -0.96 0.00 0.00 56.93 55.85 3fa4 s PHE 20 Cb -0.23 -0.89 -0.04 0.00 -0.34 0.00 0.00 43.02 41.52 3fa4 s PHE 20 CO 0.27 -0.27 0.34 0.42 -1.46 0.00 0.00 175.22 174.53 3fa4 s ILE 21 N 0.96 5.19 -0.30 3.12 1.09 0.91 -5.01 121.20 127.18 3fa4 s ILE 21 Ca -0.10 0.46 -0.06 0.00 -1.10 0.00 0.00 60.65 59.85 3fa4 s ILE 21 Cb -0.15 -3.68 0.01 0.00 -1.06 0.00 0.00 42.46 37.58 3fa4 s ILE 21 CO 0.00 0.15 0.07 -0.69 -0.10 0.00 0.00 174.94 174.37 3fa4 s VAL 22 N 2.02 3.85 -0.32 2.92 1.01 -1.26 -0.89 120.40 127.73 3fa4 s VAL 22 Ca 0.13 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3fa4 s VAL 22 Cb -0.16 -3.00 0.10 0.00 0.00 0.00 0.00 36.38 33.31 3fa4 s VAL 22 CO 0.10 0.06 0.06 0.00 0.00 0.00 0.00 175.10 175.32 3fa4 s ALA 23 N 1.47 2.22 0.33 5.51 0.00 -0.15 -4.03 121.76 127.10 3fa4 s ALA 23 Ca 0.02 -2.04 -0.29 0.00 0.00 0.00 0.00 51.96 49.65 3fa4 s ALA 23 Cb -0.17 -1.76 -0.10 0.00 0.00 0.00 0.00 23.12 21.08 3fa4 s ALA 23 CO 0.02 -1.62 1.33 -1.25 0.00 0.00 0.00 175.76 174.24 3fa4 s PRO 24 N 1.26 4.33 -0.16 0.00 0.04 -1.26 -2.19 135.00 137.03 3fa4 s PRO 24 Ca 0.09 2.25 -0.29 0.00 0.04 0.00 0.00 61.00 63.08 3fa4 s PRO 24 Cb -0.18 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 3fa4 s PRO 24 CO -0.15 -0.23 1.11 0.20 0.04 0.00 0.00 177.00 177.97 3fa4 s GLY 25 N -0.38 1.91 0.27 0.56 0.00 0.13 -1.32 107.32 108.50 3fa4 s GLY 25 Ca 0.50 0.36 0.09 0.00 0.00 0.00 0.00 44.72 45.68 3fa4 s GLY 25 CO 0.53 2.20 -0.13 -1.34 0.00 0.00 0.00 173.10 174.36 3fa4 s VAL 26 N 2.82 2.03 0.00 1.40 -7.23 0.18 -3.53 120.40 116.07 3fa4 s VAL 26 Ca 0.49 -2.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 3fa4 s VAL 26 Cb -0.19 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.41 3fa4 s VAL 26 CO 0.13 -0.39 0.00 0.00 -0.31 0.00 0.00 175.10 174.54 3fa4 n TYR 27 N -0.58 0.00 -3.00 2.82 4.11 -1.26 -1.47 117.16 117.78 3fa4 n TYR 27 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.84 3fa4 n TYR 27 Cb 0.62 0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.96 3fa4 n TYR 27 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 3fa4 n ASP 28 N 0.00 0.00 -0.07 9.48 5.75 -1.26 -4.37 116.55 126.07 3fa4 n ASP 28 Ca 0.00 -0.89 -0.13 0.00 -0.01 0.00 0.00 54.79 53.76 3fa4 n ASP 28 Cb 0.17 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.21 3fa4 n ASP 28 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3fa4 h GLY 29 N 0.00 0.54 0.92 6.12 0.00 -1.98 -2.43 103.07 106.23 3fa4 h GLY 29 Ca 0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3fa4 h GLY 29 CO 0.00 0.49 0.03 -2.00 0.00 0.00 0.00 176.54 175.07 3fa4 h LEU 30 N 0.17 0.08 -1.07 3.11 6.46 -1.99 -2.22 115.31 119.84 3fa4 h LEU 30 Ca 0.03 -0.09 -0.10 0.00 -0.12 0.00 0.00 57.88 57.60 3fa4 h LEU 30 Cb 0.74 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 3fa4 h LEU 30 CO 0.05 0.15 -0.43 0.77 -0.62 0.00 0.00 178.44 178.36 3fa4 h SER 31 N -0.00 0.08 -0.05 1.25 4.64 -1.97 -2.17 113.55 115.32 3fa4 h SER 31 Ca 0.02 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 3fa4 h SER 31 Cb 0.09 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3fa4 h SER 31 CO -0.00 0.50 -0.69 0.00 -0.87 0.00 0.00 176.83 175.76 3fa4 h ALA 32 N 1.51 0.46 0.10 5.18 0.00 -1.35 -2.73 119.26 122.43 3fa4 h ALA 32 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 3fa4 h ALA 32 Cb 0.78 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3fa4 h ALA 32 CO 0.06 0.70 -0.06 0.00 0.00 0.00 0.00 179.25 179.95 3fa4 h ARG 33 N 0.49 -0.15 -0.42 0.00 2.47 -1.35 -2.14 114.38 113.26 3fa4 h ARG 33 Ca -0.03 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 3fa4 h ARG 33 Cb 1.29 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.62 3fa4 h ARG 33 CO 0.14 -0.10 0.24 0.28 0.56 0.00 0.00 179.97 181.08 3fa4 h VAL 34 N -0.16 1.03 -0.19 2.04 2.07 -1.42 -1.62 116.25 118.00 3fa4 h VAL 34 Ca -0.01 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3fa4 h VAL 34 Cb 0.14 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3fa4 h VAL 34 CO 0.00 0.09 0.09 0.00 0.02 0.00 0.00 177.57 177.78 3fa4 h ALA 35 N 1.19 0.25 -0.77 1.67 0.00 -1.47 -2.42 119.26 117.72 3fa4 h ALA 35 Ca 0.17 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3fa4 h ALA 35 Cb 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3fa4 h ALA 35 CO -0.09 -0.19 0.51 -0.07 0.00 0.00 0.00 179.25 179.41 3fa4 h LEU 36 N 0.18 0.86 -0.00 0.00 4.07 -1.25 -2.46 115.31 116.72 3fa4 h LEU 36 Ca 0.07 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.01 3fa4 h LEU 36 Cb 0.12 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.65 3fa4 h LEU 36 CO -0.01 0.61 0.00 -1.54 -1.08 0.00 0.00 178.44 176.42 3fa4 n SER 37 N -4.43 0.19 -0.15 -0.43 3.41 -0.62 -2.21 113.62 109.37 3fa4 n SER 37 Ca 0.09 0.52 0.14 0.00 -0.26 0.00 0.00 58.87 59.35 3fa4 n SER 37 Cb 0.06 -0.57 0.55 0.00 -0.26 0.00 0.00 64.21 63.99 3fa4 n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fa4 n ALA 38 N -1.57 2.84 0.00 7.33 0.00 -0.93 -4.96 120.51 123.22 3fa4 n ALA 38 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3fa4 n ALA 38 Cb 0.36 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3fa4 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 39 N 1.29 1.03 3.77 0.00 0.00 -0.94 -5.09 105.19 105.25 3fa4 n GLY 39 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3fa4 n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa4 s PHE 40 N -2.00 3.02 -2.10 1.61 0.40 -1.19 -4.93 117.98 112.79 3fa4 s PHE 40 Ca 0.00 1.53 0.19 0.00 -0.60 0.00 0.00 56.93 58.05 3fa4 s PHE 40 Cb 0.00 -3.44 0.31 0.00 0.51 0.00 0.00 43.02 40.40 3fa4 s PHE 40 CO 0.00 -1.45 1.25 -0.25 0.70 0.00 0.00 175.22 175.47 3fa4 n ASP 41 N 0.07 3.03 -3.73 1.36 8.00 -1.26 -4.72 116.55 119.30 3fa4 n ASP 41 Ca 0.04 -1.89 -0.10 0.00 0.71 0.00 0.00 54.79 53.56 3fa4 n ASP 41 Cb 0.46 -0.17 -0.04 0.00 -0.02 0.00 0.00 41.12 41.35 3fa4 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa4 s ALA 42 N -1.37 -0.83 0.01 2.24 0.00 -1.26 -3.98 121.76 116.58 3fa4 s ALA 42 Ca 0.30 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.03 3fa4 s ALA 42 Cb 0.18 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 24.09 3fa4 s ALA 42 CO 0.26 -0.73 -0.03 -0.51 0.00 0.00 0.00 175.76 174.75 3fa4 s LEU 43 N -2.86 2.12 -0.24 0.00 1.43 -0.43 -4.12 118.68 114.58 3fa4 s LEU 43 Ca 0.08 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3fa4 s LEU 43 Cb 0.00 -0.03 0.02 0.00 0.03 0.00 0.00 46.19 46.21 3fa4 s LEU 43 CO -0.06 -0.12 -0.06 -0.47 0.23 0.00 0.00 176.35 175.87 3fa4 s TYR 44 N -0.71 3.03 -0.57 0.29 5.04 -0.43 -0.47 117.35 123.54 3fa4 s TYR 44 Ca -0.06 -1.43 -0.28 0.00 -2.44 0.00 0.00 57.07 52.86 3fa4 s TYR 44 Cb -0.05 -2.07 0.01 0.00 0.35 0.00 0.00 41.96 40.20 3fa4 s TYR 44 CO -0.00 -0.70 1.49 1.41 -1.34 0.00 0.00 175.55 176.41 3fa4 s MET 45 N 1.36 3.20 0.15 4.97 -2.45 0.23 0.47 119.30 127.23 3fa4 s MET 45 Ca 0.02 0.49 -0.31 0.00 -1.25 0.00 0.00 55.69 54.64 3fa4 s MET 45 Cb -0.16 -4.17 -0.08 0.00 1.25 0.00 0.00 34.83 31.67 3fa4 s MET 45 CO -0.05 -2.06 1.32 -0.08 1.05 0.00 0.00 175.02 175.20 3fa4 s THR 46 N 6.53 3.35 0.27 10.11 -1.32 -0.54 -2.55 115.64 131.49 3fa4 s THR 46 Ca 0.55 1.05 0.03 0.00 -1.21 0.00 0.00 61.69 62.10 3fa4 s THR 46 Cb -0.12 -3.67 0.04 0.00 -1.51 0.00 0.00 72.50 67.24 3fa4 s THR 46 CO 0.24 0.12 1.68 1.23 -2.21 0.00 0.00 174.62 175.68 3fa4 h GLY 47 N 6.02 0.46 0.92 6.08 0.00 -1.90 -2.88 103.07 111.78 3fa4 h GLY 47 Ca -0.43 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.41 3fa4 h GLY 47 CO 0.81 0.38 -0.04 0.00 0.00 0.00 0.00 176.54 177.68 3fa4 h ALA 48 N 1.27 0.48 -0.30 3.60 0.00 -1.97 -1.17 119.26 121.17 3fa4 h ALA 48 Ca 0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3fa4 h ALA 48 Cb 0.78 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3fa4 h ALA 48 CO 0.06 0.28 0.02 0.78 0.00 0.00 0.00 179.25 180.39 3fa4 h GLY 49 N 0.44 0.56 2.00 0.00 0.00 -1.93 0.08 103.07 104.23 3fa4 h GLY 49 Ca 0.09 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 3fa4 h GLY 49 CO 0.03 0.36 -0.18 0.00 0.00 0.00 0.00 176.54 176.75 3fa4 h THR 50 N 0.32 1.06 -0.47 4.70 1.03 -1.49 0.39 112.91 118.44 3fa4 h THR 50 Ca 0.09 -0.64 -0.12 0.00 -0.01 0.00 0.00 66.41 65.73 3fa4 h THR 50 Cb 0.40 1.35 -0.01 0.00 -1.07 0.00 0.00 68.15 68.82 3fa4 h THR 50 CO 0.01 0.18 -0.17 0.00 -0.01 0.00 0.00 175.52 175.53 3fa4 h ALA 51 N 1.82 0.65 -0.26 0.00 0.00 -1.00 -0.33 119.26 120.13 3fa4 h ALA 51 Ca -0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 3fa4 h ALA 51 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3fa4 h ALA 51 CO 0.02 0.60 -0.15 0.00 0.00 0.00 0.00 179.25 179.72 3fa4 h ALA 52 N 0.87 0.38 0.00 0.00 0.00 -0.08 -2.36 119.26 118.07 3fa4 h ALA 52 Ca 0.11 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3fa4 h ALA 52 Cb 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3fa4 h ALA 52 CO 0.06 0.27 -0.00 1.03 0.00 0.00 0.00 179.25 180.61 3fa4 h SER 53 N 0.30 -0.00 1.09 0.00 0.87 -0.26 0.17 113.55 115.71 3fa4 h SER 53 Ca 0.06 -0.50 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 3fa4 h SER 53 Cb 0.68 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 3fa4 h SER 53 CO 0.04 0.75 -0.14 -0.37 -0.53 0.00 0.00 176.83 176.58 3fa4 h VAL 54 N -1.00 0.33 0.00 2.23 -1.51 -1.26 -3.38 116.25 111.67 3fa4 h VAL 54 Ca -0.00 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 3fa4 h VAL 54 Cb 0.51 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 3fa4 h VAL 54 CO 0.00 0.14 0.00 1.41 -1.23 0.00 0.00 177.57 177.89 3fa4 n HIS 55 N -3.26 0.00 -3.25 5.19 8.25 -1.15 -5.03 115.22 115.98 3fa4 n HIS 55 Ca 0.01 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.23 3fa4 n HIS 55 Cb 0.41 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.55 3fa4 n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa4 n GLY 56 N 0.66 -0.51 3.13 -1.41 0.00 0.60 -4.98 105.19 102.67 3fa4 n GLY 56 Ca 0.00 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 3fa4 n GLY 56 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fa4 s GLN 57 N -5.93 0.92 0.94 1.61 -1.52 -0.91 -4.96 119.66 109.81 3fa4 s GLN 57 Ca 0.39 -0.69 -0.14 0.00 -1.95 0.00 0.00 55.36 52.97 3fa4 s GLN 57 Cb -0.19 -0.91 0.00 0.00 -0.22 0.00 0.00 33.01 31.69 3fa4 s GLN 57 CO 0.48 0.23 0.23 0.00 -0.25 0.00 0.00 175.29 175.98 3fa4 n ALA 58 N 2.06 -2.96 -2.08 6.09 0.00 -1.26 -3.24 120.51 119.11 3fa4 n ALA 58 Ca -0.17 -0.59 -0.35 0.00 0.00 0.00 0.00 53.44 52.33 3fa4 n ALA 58 Cb 0.55 -1.70 -0.04 0.00 0.00 0.00 0.00 19.45 18.26 3fa4 n ALA 58 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3fa4 n ASP 59 N -0.48 3.55 -0.29 0.00 4.64 -1.26 -4.70 116.55 118.00 3fa4 n ASP 59 Ca 0.06 -2.76 0.07 0.00 -1.38 0.00 0.00 54.79 50.77 3fa4 n ASP 59 Cb 0.54 -1.66 -0.01 0.00 -1.04 0.00 0.00 41.12 38.95 3fa4 n ASP 59 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3fa4 n LEU 60 N 11.55 1.42 0.00 -2.67 4.77 -1.26 -4.95 117.00 125.86 3fa4 n LEU 60 Ca 0.47 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 3fa4 n LEU 60 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3fa4 n LEU 60 CO 0.76 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 3fa4 n GLY 61 N 1.07 1.15 0.05 -0.72 0.00 -1.26 -5.02 105.19 100.46 3fa4 n GLY 61 Ca 0.06 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.75 3fa4 n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa4 n ILE 62 N -2.42 0.22 -2.72 -0.61 5.41 -1.26 -4.89 119.36 113.11 3fa4 n ILE 62 Ca 0.00 -0.45 -0.41 0.00 1.00 0.00 0.00 62.75 62.89 3fa4 n ILE 62 Cb 0.20 -0.03 -0.05 0.00 -0.71 0.00 0.00 39.64 39.04 3fa4 n ILE 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3fa4 s THR 64 N -0.34 2.41 0.25 0.00 -4.23 -1.26 -4.90 115.64 107.57 3fa4 s THR 64 Ca 0.45 -0.60 -0.03 0.00 -1.18 0.00 0.00 61.69 60.34 3fa4 s THR 64 Cb -0.25 -2.82 0.23 0.00 1.34 0.00 0.00 72.50 71.01 3fa4 s THR 64 CO 0.31 0.00 1.75 0.25 -0.54 0.00 0.00 174.62 176.39 3fa4 h LEU 65 N -0.24 0.42 -0.46 4.79 5.85 -1.97 -2.12 115.31 121.59 3fa4 h LEU 65 Ca -0.40 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.47 3fa4 h LEU 65 Cb 1.29 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.31 3fa4 h LEU 65 CO 0.48 0.18 0.18 0.78 -0.34 0.00 0.00 178.44 179.72 3fa4 h ASN 66 N 0.55 0.21 0.30 1.25 4.21 -1.99 0.02 115.58 120.13 3fa4 h ASN 66 Ca 0.44 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.98 3fa4 h ASN 66 Cb 0.63 0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 3fa4 h ASN 66 CO -0.37 0.16 -0.15 0.44 -1.29 0.00 0.00 177.43 176.22 3fa4 h ASP 67 N 0.37 -0.35 -0.48 5.81 3.32 -1.87 -2.74 116.42 120.48 3fa4 h ASP 67 Ca 0.21 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.16 3fa4 h ASP 67 Cb 0.19 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3fa4 h ASP 67 CO -0.20 -0.08 0.29 0.24 -1.72 0.00 0.00 179.24 177.77 3fa4 h MET 68 N -0.62 0.56 -0.36 3.56 2.86 -1.33 -2.38 114.93 117.22 3fa4 h MET 68 Ca -0.04 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3fa4 h MET 68 Cb 0.44 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3fa4 h MET 68 CO 0.07 0.37 0.16 -0.09 1.06 0.00 0.00 176.91 178.48 3fa4 h ARG 69 N 0.58 0.53 -0.89 1.72 1.12 -1.05 -1.39 114.38 114.99 3fa4 h ARG 69 Ca 0.19 -0.09 -0.02 0.00 -1.11 0.00 0.00 59.98 58.95 3fa4 h ARG 69 Cb 0.00 -0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 29.83 3fa4 h ARG 69 CO -0.08 0.50 0.49 0.00 -3.11 0.00 0.00 179.97 177.77 3fa4 h ALA 70 N 1.00 1.15 -0.06 2.80 0.00 -1.43 0.13 119.26 122.85 3fa4 h ALA 70 Ca 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3fa4 h ALA 70 Cb 0.16 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3fa4 h ALA 70 CO -0.01 0.66 -0.06 -0.97 0.00 0.00 0.00 179.25 178.86 3fa4 h ASN 71 N 1.25 0.16 -0.85 0.00 -1.24 -1.32 -2.68 115.58 110.90 3fa4 h ASN 71 Ca 0.31 -0.50 0.09 0.00 0.71 0.00 0.00 56.30 56.92 3fa4 h ASN 71 Cb 0.03 -0.04 -0.07 0.00 0.73 0.00 0.00 38.32 38.97 3fa4 h ASN 71 CO -0.05 0.62 0.51 0.00 -1.29 0.00 0.00 177.43 177.22 3fa4 h ALA 72 N 0.54 1.22 -0.24 1.57 0.00 -0.92 -2.71 119.26 118.72 3fa4 h ALA 72 Ca 0.01 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3fa4 h ALA 72 Cb 0.58 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3fa4 h ALA 72 CO 0.02 0.16 -0.25 1.49 0.00 0.00 0.00 179.25 180.67 3fa4 h GLU 73 N 0.86 0.59 -0.05 0.00 4.81 -0.71 -1.08 114.58 119.01 3fa4 h GLU 73 Ca 0.40 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3fa4 h GLU 73 Cb 0.32 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 3fa4 h GLU 73 CO -0.23 0.92 0.02 0.00 -0.73 0.00 0.00 179.01 178.99 3fa4 h MET 74 N 0.30 0.08 -0.49 1.92 -0.00 -1.38 -3.10 114.93 112.26 3fa4 h MET 74 Ca 0.04 -0.01 0.05 0.00 -0.00 0.00 0.00 59.70 59.77 3fa4 h MET 74 Cb 0.81 -0.01 -0.04 0.00 -0.00 0.00 0.00 31.60 32.36 3fa4 h MET 74 CO 0.06 0.19 0.24 0.82 -0.00 0.00 0.00 176.91 178.22 3fa4 h ILE 75 N -0.05 0.94 -0.01 -0.10 2.04 -1.50 -2.02 117.51 116.81 3fa4 h ILE 75 Ca 0.02 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3fa4 h ILE 75 Cb 0.14 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3fa4 h ILE 75 CO -0.00 0.08 0.13 0.28 0.00 0.00 0.00 178.15 178.64 3fa4 h SER 76 N 0.46 0.00 -0.01 1.72 0.02 -1.19 -3.17 113.55 111.38 3fa4 h SER 76 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3fa4 h SER 76 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3fa4 h SER 76 CO -0.17 0.00 -0.03 0.59 -1.14 0.00 0.00 176.83 176.09 3fa4 n ASN 77 N -3.03 1.40 0.07 3.07 3.02 -0.81 -3.34 115.26 115.64 3fa4 n ASN 77 Ca -0.02 -1.20 -0.13 0.00 -0.03 0.00 0.00 54.58 53.20 3fa4 n ASN 77 Cb 0.19 0.11 -0.07 0.00 -0.61 0.00 0.00 39.78 39.40 3fa4 n ASN 77 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3fa4 h ILE 78 N 1.11 0.94 -3.10 2.41 2.04 -1.41 -3.38 117.51 116.12 3fa4 h ILE 78 Ca 0.00 -0.00 -0.60 0.00 1.00 0.00 0.00 64.86 65.25 3fa4 h ILE 78 Cb 0.25 0.94 -0.40 0.00 -0.74 0.00 0.00 36.82 36.87 3fa4 h ILE 78 CO 0.00 0.00 -0.74 -0.55 0.00 0.00 0.00 178.15 176.86 3fa4 s SER 79 N -5.11 3.87 0.10 1.72 0.15 -1.26 -5.00 113.70 108.17 3fa4 s SER 79 Ca -0.13 -2.20 0.20 0.00 0.70 0.00 0.00 55.95 54.52 3fa4 s SER 79 Cb 0.06 -1.00 0.83 0.00 -1.71 0.00 0.00 66.02 64.20 3fa4 s SER 79 CO 0.66 -0.33 1.63 -2.65 1.20 0.00 0.00 173.24 173.75 3fa4 n PRO 80 N 4.11 0.08 0.02 5.44 -0.02 -1.21 -1.28 135.00 142.15 3fa4 n PRO 80 Ca 0.04 0.26 0.12 0.00 -2.02 0.00 0.00 63.50 61.90 3fa4 n PRO 80 Cb 0.38 -1.64 0.17 0.00 -0.02 0.00 0.00 33.50 32.39 3fa4 n PRO 80 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3fa4 n SER 81 N -1.79 0.60 -4.58 2.55 3.41 -1.26 -3.94 113.62 108.61 3fa4 n SER 81 Ca 0.04 -0.14 -0.41 0.00 -0.26 0.00 0.00 58.87 58.09 3fa4 n SER 81 Cb 0.24 0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 3fa4 n SER 81 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3fa4 s THR 82 N -3.09 4.90 0.22 6.66 2.01 -0.40 -4.81 115.64 121.13 3fa4 s THR 82 Ca 0.08 0.70 -0.32 0.00 0.31 0.00 0.00 61.69 62.46 3fa4 s THR 82 Cb 0.15 -4.05 -0.12 0.00 0.01 0.00 0.00 72.50 68.50 3fa4 s THR 82 CO 0.73 -0.25 1.67 -2.84 -0.69 0.00 0.00 174.62 173.24 3fa4 s PRO 83 N 2.68 4.14 -0.12 4.92 0.02 -1.26 -4.82 135.00 140.57 3fa4 s PRO 83 Ca 0.25 2.56 -0.00 0.00 0.02 0.00 0.00 61.00 63.83 3fa4 s PRO 83 Cb -0.15 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 3fa4 s PRO 83 CO 0.14 -0.70 -0.11 0.08 -0.33 0.00 0.00 177.00 176.07 3fa4 s VAL 84 N 0.93 3.25 -0.23 3.83 1.01 -1.26 -1.31 120.40 126.62 3fa4 s VAL 84 Ca 0.72 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 3fa4 s VAL 84 Cb -0.48 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3fa4 s VAL 84 CO 0.35 0.53 0.00 -0.63 0.00 0.00 0.00 175.10 175.36 3fa4 s ILE 85 N 0.11 3.81 -0.07 2.22 1.01 0.38 -1.07 121.20 127.61 3fa4 s ILE 85 Ca -0.05 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.29 3fa4 s ILE 85 Cb -0.14 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 3fa4 s ILE 85 CO 0.04 0.39 -0.17 0.00 0.00 0.00 0.00 174.94 175.21 3fa4 s ALA 86 N 1.43 2.52 0.24 9.38 0.00 -0.06 -0.60 121.76 134.67 3fa4 s ALA 86 Ca 0.05 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 50.72 3fa4 s ALA 86 Cb -0.15 -0.94 -0.13 0.00 0.00 0.00 0.00 23.12 21.90 3fa4 s ALA 86 CO 0.00 0.45 1.44 -3.47 0.00 0.00 0.00 175.76 174.19 3fa4 n ASP 87 N 2.74 2.92 -0.41 0.00 2.03 -1.06 -2.37 116.55 120.40 3fa4 n ASP 87 Ca -0.17 1.14 0.01 0.00 0.52 0.00 0.00 54.79 56.29 3fa4 n ASP 87 Cb 0.52 -1.45 0.02 0.00 -0.72 0.00 0.00 41.12 39.49 3fa4 n ASP 87 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fa4 n ALA 88 N 2.04 1.98 -0.19 -1.67 0.00 -1.20 -4.86 120.51 116.60 3fa4 n ALA 88 Ca 0.12 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.38 3fa4 n ALA 88 Cb 0.32 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.32 3fa4 n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fa4 n ASP 89 N -0.19 0.00 -1.34 0.00 8.00 -1.24 -1.23 116.55 120.55 3fa4 n ASP 89 Ca 0.02 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.62 3fa4 n ASP 89 Cb 0.68 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 42.09 3fa4 n ASP 89 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3fa4 n THR 90 N 0.00 1.31 -0.30 -3.53 -2.24 -1.26 -1.19 114.28 107.07 3fa4 n THR 90 Ca 0.00 -1.09 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 3fa4 n THR 90 Cb 0.00 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 3fa4 n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fa4 n GLY 91 N 1.29 1.28 2.14 3.38 0.00 -0.36 -4.44 105.19 108.47 3fa4 n GLY 91 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.19 3fa4 n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fa4 n TYR 92 N -2.00 -0.21 -1.15 1.61 4.02 -1.26 -2.95 117.16 115.22 3fa4 n TYR 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3fa4 n TYR 92 Cb 0.00 -1.75 0.00 0.00 -0.02 0.00 0.00 39.34 37.57 3fa4 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fa4 n GLY 93 N -1.39 0.54 0.00 2.72 0.00 -1.26 -4.86 105.19 100.93 3fa4 n GLY 93 Ca -0.07 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3fa4 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa4 n GLY 94 N 0.00 -1.61 0.28 -0.02 0.00 -1.26 -4.50 105.19 98.07 3fa4 n GLY 94 Ca 0.00 -1.53 0.07 0.00 0.00 0.00 0.00 46.02 44.56 3fa4 n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fa4 h PRO 95 N 0.00 0.16 -0.79 1.61 0.11 -1.95 -0.77 132.00 130.37 3fa4 h PRO 95 Ca 0.00 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 66.29 3fa4 h PRO 95 Cb 0.00 -0.04 -0.13 0.00 0.11 0.00 0.00 31.00 30.95 3fa4 h PRO 95 CO 0.00 0.11 0.14 0.82 -0.21 0.00 0.00 178.00 178.86 3fa4 h ILE 96 N 0.17 0.39 0.08 4.15 1.08 -1.98 0.00 117.51 121.40 3fa4 h ILE 96 Ca 0.44 -0.07 -0.25 0.00 -0.39 0.00 0.00 64.86 64.59 3fa4 h ILE 96 Cb 0.79 0.17 0.01 0.00 -3.07 0.00 0.00 36.82 34.72 3fa4 h ILE 96 CO -0.62 0.04 -1.12 0.24 -0.69 0.00 0.00 178.15 176.00 3fa4 h MET 97 N 0.20 0.35 -0.15 2.37 2.86 -1.43 -2.04 114.93 117.08 3fa4 h MET 97 Ca 0.46 -0.48 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3fa4 h MET 97 Cb 0.85 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 3fa4 h MET 97 CO -0.61 1.18 0.05 0.28 1.06 0.00 0.00 176.91 178.87 3fa4 h VAL 98 N 0.15 1.18 -0.30 -2.22 2.07 -0.74 0.12 116.25 116.51 3fa4 h VAL 98 Ca -0.12 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 66.89 3fa4 h VAL 98 Cb 1.80 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.78 3fa4 h VAL 98 CO 0.19 0.17 -0.34 0.00 0.02 0.00 0.00 177.57 177.61 3fa4 h ALA 99 N 0.87 -0.55 -0.70 1.67 0.00 -1.08 -0.58 119.26 118.89 3fa4 h ALA 99 Ca 0.05 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.12 3fa4 h ALA 99 Cb 0.22 1.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 3fa4 h ALA 99 CO -0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 179.25 178.48 3fa4 h ARG 100 N -0.20 0.07 0.19 0.00 3.08 -1.16 0.66 114.38 117.02 3fa4 h ARG 100 Ca 0.05 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.11 3fa4 h ARG 100 Cb 0.34 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3fa4 h ARG 100 CO -0.39 0.05 -0.28 1.15 -1.07 0.00 0.00 179.97 179.44 3fa4 h THR 101 N 0.08 0.41 -0.74 2.04 2.02 -0.77 -1.55 112.91 114.40 3fa4 h THR 101 Ca 0.36 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.64 3fa4 h THR 101 Cb 0.61 0.41 -0.07 0.00 -1.74 0.00 0.00 68.15 67.35 3fa4 h THR 101 CO -0.64 0.00 0.38 0.74 0.37 0.00 0.00 175.52 176.37 3fa4 h THR 102 N -0.53 0.84 -0.34 3.16 2.02 -0.52 0.46 112.91 118.01 3fa4 h THR 102 Ca 0.01 -0.22 -0.16 0.00 0.77 0.00 0.00 66.41 66.82 3fa4 h THR 102 Cb 0.53 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3fa4 h THR 102 CO -0.12 0.11 -0.43 -0.33 0.37 0.00 0.00 175.52 175.13 3fa4 h GLU 103 N 0.63 0.85 -0.07 6.66 5.08 -0.83 -1.97 114.58 124.93 3fa4 h GLU 103 Ca 0.37 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3fa4 h GLU 103 Cb 0.39 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3fa4 h GLU 103 CO -0.27 1.10 -0.13 1.96 -1.00 0.00 0.00 179.01 180.67 3fa4 h GLN 104 N 0.68 0.21 -0.99 2.33 4.20 -1.16 -2.38 115.11 118.01 3fa4 h GLN 104 Ca 0.05 -0.13 0.13 0.00 0.06 0.00 0.00 58.65 58.76 3fa4 h GLN 104 Cb 1.01 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.71 3fa4 h GLN 104 CO 0.10 0.71 0.61 1.88 -0.67 0.00 0.00 178.83 181.46 3fa4 h TYR 105 N -0.26 1.10 0.54 2.96 -1.99 -0.99 0.02 116.97 118.35 3fa4 h TYR 105 Ca 0.00 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.74 3fa4 h TYR 105 Cb 0.69 -0.34 0.01 0.00 2.00 0.00 0.00 36.73 39.09 3fa4 h TYR 105 CO 0.11 0.39 -0.26 0.77 -0.00 0.00 0.00 178.16 179.17 3fa4 h SER 106 N 0.92 -0.61 -0.82 3.88 0.02 -1.27 -2.14 113.55 113.54 3fa4 h SER 106 Ca 0.51 -0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.53 3fa4 h SER 106 Cb 0.57 0.16 -0.07 0.00 0.14 0.00 0.00 62.40 63.20 3fa4 h SER 106 CO -0.29 -0.37 0.48 0.03 -1.14 0.00 0.00 176.83 175.53 3fa4 h ARG 107 N -0.81 0.79 0.00 3.45 3.08 -1.39 0.12 114.38 119.61 3fa4 h ARG 107 Ca -0.07 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3fa4 h ARG 107 Cb 0.59 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3fa4 h ARG 107 CO 0.12 0.52 0.01 0.77 -1.07 0.00 0.00 179.97 180.32 3fa4 h SER 108 N 0.81 0.00 0.00 7.04 0.02 -0.87 -3.46 113.55 117.09 3fa4 h SER 108 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3fa4 h SER 108 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3fa4 h SER 108 CO -0.23 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.07 3fa4 n GLY 109 N -1.24 0.53 3.77 -3.77 0.00 0.03 -4.67 105.19 99.83 3fa4 n GLY 109 Ca -0.02 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 3fa4 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa4 s VAL 110 N -2.00 2.53 -0.08 1.61 1.01 -0.82 -4.49 120.40 118.15 3fa4 s VAL 110 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3fa4 s VAL 110 Cb 0.00 -3.33 -0.25 0.00 0.00 0.00 0.00 36.38 32.80 3fa4 s VAL 110 CO 0.00 0.11 0.52 0.00 0.00 0.00 0.00 175.10 175.74 3fa4 h ALA 111 N 3.61 0.53 -2.85 5.51 0.00 -1.42 -3.40 119.26 121.24 3fa4 h ALA 111 Ca -0.49 -1.39 -0.04 0.00 0.00 0.00 0.00 54.91 53.00 3fa4 h ALA 111 Cb 1.23 0.59 -0.13 0.00 0.00 0.00 0.00 17.79 19.48 3fa4 h ALA 111 CO 0.68 1.39 0.07 0.00 0.00 0.00 0.00 179.25 181.39 3fa4 s ALA 112 N -2.58 -1.29 0.08 0.00 0.00 -1.02 -0.74 121.76 116.20 3fa4 s ALA 112 Ca -0.15 0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.92 3fa4 s ALA 112 Cb 0.07 0.76 0.03 0.00 0.00 0.00 0.00 23.12 23.98 3fa4 s ALA 112 CO 0.80 -0.69 0.37 -0.59 0.00 0.00 0.00 175.76 175.65 3fa4 s PHE 113 N -3.67 -0.19 -0.16 0.00 -0.12 -0.63 -0.88 117.98 112.34 3fa4 s PHE 113 Ca 0.01 0.00 0.01 0.00 -0.05 0.00 0.00 56.93 56.91 3fa4 s PHE 113 Cb 0.00 0.19 0.01 0.00 -0.63 0.00 0.00 43.02 42.59 3fa4 s PHE 113 CO -0.12 -0.60 -0.18 -3.38 -0.05 0.00 0.00 175.22 170.89 3fa4 s HIS 114 N -3.06 2.76 -0.12 3.49 -3.43 -1.00 -1.32 115.29 112.61 3fa4 s HIS 114 Ca -0.02 -1.23 -0.09 0.00 -0.80 0.00 0.00 55.06 52.92 3fa4 s HIS 114 Cb 0.01 -1.88 -0.04 0.00 -1.43 0.00 0.00 32.58 29.23 3fa4 s HIS 114 CO -0.07 -0.58 0.19 0.42 -2.00 0.00 0.00 174.74 172.71 3fa4 s ILE 115 N 0.93 5.41 0.55 -5.38 1.01 -0.98 -3.23 121.20 119.51 3fa4 s ILE 115 Ca -0.04 0.33 0.06 0.00 0.00 0.00 0.00 60.65 61.00 3fa4 s ILE 115 Cb -0.15 -3.48 0.05 0.00 0.01 0.00 0.00 42.46 38.89 3fa4 s ILE 115 CO -0.03 0.56 0.46 -1.83 0.00 0.00 0.00 174.94 174.10 3fa4 s GLU 116 N -0.64 2.26 -0.17 2.79 -1.05 -0.33 -1.63 118.70 119.92 3fa4 s GLU 116 Ca 0.15 -1.98 0.16 0.00 -0.15 0.00 0.00 54.97 53.15 3fa4 s GLU 116 Cb -0.13 -2.17 0.54 0.00 -0.44 0.00 0.00 34.13 31.94 3fa4 s GLU 116 CO 0.04 -0.66 1.44 -0.40 0.95 0.00 0.00 175.26 176.64 3fa4 n ASP 117 N -1.84 4.00 -4.80 0.83 5.75 -1.24 -4.77 116.55 114.48 3fa4 n ASP 117 Ca 0.01 -2.93 -0.37 0.00 -0.01 0.00 0.00 54.79 51.49 3fa4 n ASP 117 Cb 0.64 -0.54 -0.06 0.00 -1.03 0.00 0.00 41.12 40.13 3fa4 n ASP 117 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3fa4 s GLN 118 N -2.68 4.36 0.18 0.11 -0.21 -1.26 0.20 119.66 120.37 3fa4 s GLN 118 Ca 0.42 1.00 -0.14 0.00 0.02 0.00 0.00 55.36 56.66 3fa4 s GLN 118 Cb 0.33 -2.93 -0.10 0.00 1.00 0.00 0.00 33.01 31.32 3fa4 s GLN 118 CO 0.10 0.40 0.17 0.28 -2.12 0.00 0.00 175.29 174.12 3fa4 n VAL 119 N 0.84 0.74 -0.91 1.09 0.31 -1.26 -4.69 118.33 114.46 3fa4 n VAL 119 Ca -0.02 -0.29 -0.16 0.00 -0.01 0.00 0.00 64.34 63.85 3fa4 n VAL 119 Cb 0.50 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.47 3fa4 n VAL 119 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3fa4 n GLN 120 N 0.70 1.80 -1.49 5.55 7.27 -1.26 -5.00 117.38 124.95 3fa4 n GLN 120 Ca 0.08 -1.53 0.00 0.00 0.07 0.00 0.00 57.00 55.62 3fa4 n GLN 120 Cb 0.20 -1.61 0.00 0.00 2.41 0.00 0.00 30.24 31.23 3fa4 n GLN 120 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 3fa4 n ILE 131 N 0.43 -4.86 -4.36 1.69 -5.35 -1.26 -4.99 119.36 100.67 3fa4 n ILE 131 Ca 0.30 2.15 -0.24 0.00 -0.27 0.00 0.00 62.75 64.69 3fa4 n ILE 131 Cb 0.57 -2.98 -0.12 0.00 -1.74 0.00 0.00 39.64 35.38 3fa4 n ILE 131 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fa4 s LEU 132 N -2.19 2.42 0.47 7.28 1.02 -1.26 -4.55 118.68 121.87 3fa4 s LEU 132 Ca 0.00 -0.84 -0.02 0.00 0.02 0.00 0.00 54.13 53.28 3fa4 s LEU 132 Cb 0.00 -0.94 -0.02 0.00 0.02 0.00 0.00 46.19 45.25 3fa4 s LEU 132 CO 0.00 0.02 0.72 0.54 0.02 0.00 0.00 176.35 177.66 3fa4 s VAL 133 N -1.83 4.39 0.72 -1.59 0.11 0.13 -4.62 120.40 117.70 3fa4 s VAL 133 Ca 0.16 -0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 58.89 3fa4 s VAL 133 Cb -0.07 -3.65 0.03 0.00 -1.53 0.00 0.00 36.38 31.16 3fa4 s VAL 133 CO 0.07 -0.54 1.08 1.51 -3.33 0.00 0.00 175.10 173.89 3fa4 s ASP 134 N -4.17 4.99 0.15 3.54 -4.77 -1.26 -4.86 116.67 110.29 3fa4 s ASP 134 Ca 0.48 1.77 -0.19 0.00 -3.30 0.00 0.00 52.55 51.30 3fa4 s ASP 134 Cb -0.10 -2.52 0.05 0.00 -1.09 0.00 0.00 42.92 39.26 3fa4 s ASP 134 CO 0.41 -1.71 1.67 0.74 0.70 0.00 0.00 175.17 176.97 3fa4 h THR 135 N -0.74 0.59 -0.62 2.11 2.02 -1.98 -1.83 112.91 112.47 3fa4 h THR 135 Ca -0.44 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.86 3fa4 h THR 135 Cb 1.22 0.59 -0.12 0.00 -1.74 0.00 0.00 68.15 68.11 3fa4 h THR 135 CO 0.54 0.00 -0.20 -0.78 0.37 0.00 0.00 175.52 175.45 3fa4 h ASP 136 N -0.07 -0.71 -0.48 4.18 3.58 -1.99 0.22 116.42 121.15 3fa4 h ASP 136 Ca 0.15 0.20 -0.08 0.00 0.42 0.00 0.00 57.03 57.72 3fa4 h ASP 136 Cb 0.30 0.43 -0.02 0.00 1.72 0.00 0.00 39.33 41.76 3fa4 h ASP 136 CO -0.35 -0.23 0.00 0.74 -2.88 0.00 0.00 179.24 176.52 3fa4 h THR 137 N -0.04 1.25 -0.54 2.25 2.02 -1.83 -1.80 112.91 114.22 3fa4 h THR 137 Ca 0.29 -1.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 3fa4 h THR 137 Cb 0.49 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3fa4 h THR 137 CO -0.66 0.38 0.15 0.22 0.37 0.00 0.00 175.52 175.99 3fa4 h TYR 138 N 0.83 0.89 0.00 3.16 3.20 -0.36 -2.76 116.97 121.93 3fa4 h TYR 138 Ca 0.16 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.82 3fa4 h TYR 138 Cb 0.49 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3fa4 h TYR 138 CO 0.03 0.76 -0.51 0.28 -1.64 0.00 0.00 178.16 177.09 3fa4 h VAL 139 N 0.75 1.21 -0.78 1.81 2.07 -0.45 -2.66 116.25 118.22 3fa4 h VAL 139 Ca 0.17 -1.84 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 3fa4 h VAL 139 Cb 0.31 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 3fa4 h VAL 139 CO -0.00 0.50 0.41 0.74 0.02 0.00 0.00 177.57 179.24 3fa4 h THR 140 N 0.00 1.23 -0.26 2.57 2.02 -1.19 0.31 112.91 117.59 3fa4 h THR 140 Ca -0.01 -0.61 -0.10 0.00 0.77 0.00 0.00 66.41 66.47 3fa4 h THR 140 Cb 0.99 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3fa4 h THR 140 CO 0.07 0.27 -0.22 0.03 0.37 0.00 0.00 175.52 176.04 3fa4 h ARG 141 N 1.09 0.60 -0.16 6.66 3.08 -1.19 -2.19 114.38 122.28 3fa4 h ARG 141 Ca 0.27 -0.30 -0.18 0.00 0.07 0.00 0.00 59.98 59.84 3fa4 h ARG 141 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3fa4 h ARG 141 CO -0.04 0.90 -0.63 -0.84 -1.07 0.00 0.00 179.97 178.28 3fa4 h ILE 142 N 0.33 1.33 -0.65 2.04 -0.00 -1.38 -2.82 117.51 116.36 3fa4 h ILE 142 Ca 0.05 -1.91 -0.04 0.00 -0.00 0.00 0.00 64.86 62.95 3fa4 h ILE 142 Cb 0.76 1.88 -0.03 0.00 -0.00 0.00 0.00 36.82 39.44 3fa4 h ILE 142 CO 0.06 0.59 0.24 -0.09 -0.00 0.00 0.00 178.15 178.95 3fa4 h ARG 143 N 0.42 0.97 0.00 0.16 2.43 -0.41 -1.07 114.38 116.89 3fa4 h ARG 143 Ca -0.01 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 3fa4 h ARG 143 Cb 1.20 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 3fa4 h ARG 143 CO 0.12 0.81 -0.26 0.00 -1.51 0.00 0.00 179.97 179.13 3fa4 h ALA 144 N 1.31 1.53 0.03 2.80 0.00 -1.37 0.81 119.26 124.36 3fa4 h ALA 144 Ca 0.22 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3fa4 h ALA 144 Cb 0.22 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3fa4 h ALA 144 CO -0.02 0.33 -0.43 0.00 0.00 0.00 0.00 179.25 179.14 3fa4 h ALA 145 N 1.74 0.01 -0.41 0.00 0.00 -1.16 -1.99 119.26 117.44 3fa4 h ALA 145 Ca -0.00 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.39 3fa4 h ALA 145 Cb 0.48 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3fa4 h ALA 145 CO 0.03 0.20 0.22 0.28 0.00 0.00 0.00 179.25 179.98 3fa4 h VAL 146 N -0.46 0.99 -0.03 0.00 2.07 -1.12 -2.05 116.25 115.66 3fa4 h VAL 146 Ca -0.06 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 3fa4 h VAL 146 Cb 1.23 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3fa4 h VAL 146 CO 0.08 0.08 -0.59 1.56 0.02 0.00 0.00 177.57 178.72 3fa4 h GLN 147 N 0.44 0.10 -0.22 1.57 4.20 -0.89 -2.30 115.11 118.00 3fa4 h GLN 147 Ca 0.17 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.65 3fa4 h GLN 147 Cb 0.06 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 3fa4 h GLN 147 CO -0.11 0.66 -0.55 0.00 -0.67 0.00 0.00 178.83 178.16 3fa4 h ALA 148 N 1.32 0.61 -0.02 3.87 0.00 -1.23 -1.55 119.26 122.26 3fa4 h ALA 148 Ca -0.01 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 3fa4 h ALA 148 Cb 1.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3fa4 h ALA 148 CO 0.08 0.69 -0.60 0.07 0.00 0.00 0.00 179.25 179.49 3fa4 h ARG 149 N 0.51 0.08 0.16 0.00 0.11 -1.24 -2.90 114.38 111.10 3fa4 h ARG 149 Ca 0.01 -0.05 -0.29 0.00 0.10 0.00 0.00 59.98 59.74 3fa4 h ARG 149 Cb 1.12 0.01 0.02 0.00 1.11 0.00 0.00 29.97 32.23 3fa4 h ARG 149 CO 0.11 0.66 -1.30 1.96 0.10 0.00 0.00 179.97 181.50 3fa4 h GLN 150 N 0.06 0.40 -0.99 0.08 4.20 -1.28 0.12 115.11 117.70 3fa4 h GLN 150 Ca -0.01 -0.64 0.08 0.00 0.06 0.00 0.00 58.65 58.14 3fa4 h GLN 150 Cb 1.08 0.23 -0.07 0.00 0.30 0.00 0.00 27.48 29.03 3fa4 h GLN 150 CO 0.08 1.30 0.64 0.00 -0.67 0.00 0.00 178.83 180.18 3fa4 h ARG 151 N 0.13 1.08 -0.02 1.46 3.08 -1.34 -2.94 114.38 115.82 3fa4 h ARG 151 Ca -0.17 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3fa4 h ARG 151 Cb 2.00 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.81 3fa4 h ARG 151 CO 0.23 0.71 -0.01 0.44 -1.07 0.00 0.00 179.97 180.27 3fa4 n ILE 152 N -4.52 0.00 -2.47 2.04 -5.35 -1.06 -4.94 119.36 103.06 3fa4 n ILE 152 Ca 0.16 -0.27 -0.16 0.00 -0.27 0.00 0.00 62.75 62.21 3fa4 n ILE 152 Cb 0.23 0.59 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 3fa4 n ILE 152 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fa4 n GLY 153 N 1.20 -0.25 3.85 3.28 0.00 -0.50 -5.02 105.19 107.74 3fa4 n GLY 153 Ca 0.18 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3fa4 n GLY 153 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fa4 s SER 154 N -2.47 6.80 0.00 1.61 0.15 0.30 -4.99 113.70 115.11 3fa4 s SER 154 Ca 0.08 1.02 0.20 0.00 0.70 0.00 0.00 55.95 57.95 3fa4 s SER 154 Cb -0.03 -2.27 0.66 0.00 -1.71 0.00 0.00 66.02 62.67 3fa4 s SER 154 CO 0.09 0.15 1.50 0.47 1.20 0.00 0.00 173.24 176.65 3fa4 n ASP 155 N 0.98 1.96 -4.60 5.45 8.00 -1.26 -4.60 116.55 122.49 3fa4 n ASP 155 Ca -0.07 -1.78 -0.49 0.00 0.71 0.00 0.00 54.79 53.16 3fa4 n ASP 155 Cb 0.52 -0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.44 3fa4 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa4 n ILE 156 N 0.52 0.70 -2.88 0.53 3.06 -1.26 -4.64 119.36 115.39 3fa4 n ILE 156 Ca 0.16 -0.18 -0.42 0.00 -2.50 0.00 0.00 62.75 59.82 3fa4 n ILE 156 Cb 0.37 -0.98 -0.04 0.00 0.54 0.00 0.00 39.64 39.53 3fa4 n ILE 156 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3fa4 s VAL 157 N 0.00 4.81 -0.52 9.51 1.01 0.08 -4.96 120.40 130.34 3fa4 s VAL 157 Ca 0.75 1.53 -0.25 0.00 0.00 0.00 0.00 61.98 64.00 3fa4 s VAL 157 Cb -0.83 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 31.45 3fa4 s VAL 157 CO 0.50 -0.12 0.98 -0.69 0.00 0.00 0.00 175.10 175.76 3fa4 s VAL 158 N 2.91 4.36 -0.41 2.92 1.01 -1.26 -1.60 120.40 128.33 3fa4 s VAL 158 Ca 0.35 0.57 -0.17 0.00 0.00 0.00 0.00 61.98 62.72 3fa4 s VAL 158 Cb -0.15 -4.53 0.02 0.00 0.00 0.00 0.00 36.38 31.72 3fa4 s VAL 158 CO 0.08 -1.04 0.44 -0.63 0.00 0.00 0.00 175.10 173.96 3fa4 s ILE 159 N 4.03 5.08 -0.25 2.22 1.01 -0.43 0.99 121.20 133.85 3fa4 s ILE 159 Ca 0.35 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.49 3fa4 s ILE 159 Cb -0.11 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.35 3fa4 s ILE 159 CO 0.23 -0.37 1.16 0.00 0.00 0.00 0.00 174.94 175.96 3fa4 s ALA 160 N 2.18 3.57 -0.14 9.38 0.00 -0.23 -2.31 121.76 134.20 3fa4 s ALA 160 Ca 0.13 0.18 -0.07 0.00 0.00 0.00 0.00 51.96 52.21 3fa4 s ALA 160 Cb -0.17 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 3fa4 s ALA 160 CO 0.14 -1.34 0.09 0.50 0.00 0.00 0.00 175.76 175.15 3fa4 s ARG 161 N 3.59 3.63 -0.10 0.00 3.52 -0.65 -0.86 118.95 128.07 3fa4 s ARG 161 Ca 0.50 -0.26 0.03 0.00 -0.13 0.00 0.00 55.73 55.87 3fa4 s ARG 161 Cb -0.16 -3.16 -0.00 0.00 -1.56 0.00 0.00 34.95 30.06 3fa4 s ARG 161 CO 0.14 0.54 -0.21 -0.08 -0.81 0.00 0.00 175.30 174.88 3fa4 s THR 162 N -0.38 2.32 -0.31 4.11 -1.32 -0.63 -3.73 115.64 115.70 3fa4 s THR 162 Ca 0.10 -0.93 0.10 0.00 -1.21 0.00 0.00 61.69 59.76 3fa4 s THR 162 Cb -0.12 -1.91 0.74 0.00 -1.51 0.00 0.00 72.50 69.70 3fa4 s THR 162 CO 0.02 0.55 1.78 0.47 -2.21 0.00 0.00 174.62 175.23 3fa4 n ASP 163 N 3.47 4.79 -0.37 8.08 8.00 -1.26 -1.84 116.55 137.41 3fa4 n ASP 163 Ca -0.19 -3.22 0.11 0.00 0.71 0.00 0.00 54.79 52.20 3fa4 n ASP 163 Cb 0.53 -0.73 0.06 0.00 -0.02 0.00 0.00 41.12 40.96 3fa4 n ASP 163 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3fa4 n SER 164 N -0.16 1.66 -0.12 -2.24 3.41 -1.26 -4.50 113.62 110.40 3fa4 n SER 164 Ca 0.39 -1.29 -0.04 0.00 -0.26 0.00 0.00 58.87 57.67 3fa4 n SER 164 Cb 1.35 0.47 0.03 0.00 -0.26 0.00 0.00 64.21 65.80 3fa4 n SER 164 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fa4 h LEU 165 N 1.82 -0.17 -0.45 1.04 5.85 -1.82 -0.65 115.31 120.92 3fa4 h LEU 165 Ca 0.00 0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.64 3fa4 h LEU 165 Cb 0.67 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3fa4 h LEU 165 CO 0.00 -0.05 -0.76 0.06 -0.34 0.00 0.00 178.44 177.35 3fa4 h GLN 166 N 0.10 0.14 0.05 1.25 3.07 -1.90 -1.54 115.11 116.28 3fa4 h GLN 166 Ca 0.20 -0.13 -0.26 0.00 0.09 0.00 0.00 58.65 58.55 3fa4 h GLN 166 Cb 0.28 0.03 0.01 0.00 0.08 0.00 0.00 27.48 27.89 3fa4 h GLN 166 CO -0.34 0.84 -1.07 1.15 0.09 0.00 0.00 178.83 179.50 3fa4 h THR 167 N 0.09 1.37 0.00 1.86 2.02 -1.76 -3.40 112.91 113.10 3fa4 h THR 167 Ca -0.02 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.64 3fa4 h THR 167 Cb 1.34 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.31 3fa4 h THR 167 CO 0.11 0.76 -0.33 1.41 0.37 0.00 0.00 175.52 177.84 3fa4 n HIS 168 N -3.74 0.00 0.00 3.16 8.25 -0.28 -5.13 115.22 117.48 3fa4 n HIS 168 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3fa4 n HIS 168 Cb 0.90 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.01 3fa4 n HIS 168 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa4 n GLY 169 N 1.41 -0.01 0.16 -1.41 0.00 -0.58 -4.48 105.19 100.27 3fa4 n GLY 169 Ca 0.00 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 3fa4 n GLY 169 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fa4 h TYR 170 N 0.00 -0.30 -0.48 1.61 3.20 -1.92 -2.34 116.97 116.75 3fa4 h TYR 170 Ca 0.00 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.90 3fa4 h TYR 170 Cb 0.00 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 3fa4 h TYR 170 CO 0.00 -0.17 0.32 0.93 -1.64 0.00 0.00 178.16 177.60 3fa4 h GLU 171 N -0.35 0.50 0.00 1.82 4.39 -1.97 -0.99 114.58 117.97 3fa4 h GLU 171 Ca -0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3fa4 h GLU 171 Cb 0.27 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3fa4 h GLU 171 CO 0.05 0.33 -0.86 -0.85 -1.16 0.00 0.00 179.01 176.52 3fa4 n GLU 172 N -4.48 0.20 -0.12 2.33 0.28 -1.21 -2.77 120.64 114.88 3fa4 n GLU 172 Ca 0.05 0.01 -0.10 0.00 -0.16 0.00 0.00 57.16 56.96 3fa4 n GLU 172 Cb 0.16 -1.58 -0.02 0.00 1.43 0.00 0.00 31.44 31.43 3fa4 n GLU 172 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 3fa4 h SER 173 N 0.00 0.52 0.11 -1.84 0.02 -0.95 -2.96 113.55 108.44 3fa4 h SER 173 Ca 0.00 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.68 3fa4 h SER 173 Cb 0.66 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 3fa4 h SER 173 CO 0.00 0.61 -0.15 0.58 -1.14 0.00 0.00 176.83 176.73 3fa4 h VAL 174 N 0.40 1.15 -0.30 2.27 2.07 -1.30 -2.97 116.25 117.57 3fa4 h VAL 174 Ca 0.11 -0.67 -0.13 0.00 0.82 0.00 0.00 66.70 66.83 3fa4 h VAL 174 Cb 0.29 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3fa4 h VAL 174 CO 0.00 0.20 -0.34 0.00 0.02 0.00 0.00 177.57 177.45 3fa4 h ALA 175 N 1.75 0.83 -0.03 1.67 0.00 -1.48 -1.09 119.26 120.92 3fa4 h ALA 175 Ca 0.02 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 3fa4 h ALA 175 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3fa4 h ALA 175 CO 0.02 0.64 -0.46 0.00 0.00 0.00 0.00 179.25 179.45 3fa4 h ARG 176 N 0.56 0.07 0.17 0.00 3.08 -1.53 -2.03 114.38 114.70 3fa4 h ARG 176 Ca 0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3fa4 h ARG 176 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3fa4 h ARG 176 CO 0.07 0.52 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.34 3fa4 h LEU 177 N 0.06 -0.19 -0.65 3.04 3.38 -1.35 -2.17 115.31 117.42 3fa4 h LEU 177 Ca 0.00 -0.25 0.13 0.00 0.09 0.00 0.00 57.88 57.86 3fa4 h LEU 177 Cb 0.84 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.54 3fa4 h LEU 177 CO 0.06 0.16 0.12 0.03 0.09 0.00 0.00 178.44 178.90 3fa4 h ARG 178 N -0.57 0.23 -0.49 1.13 3.08 -1.18 0.24 114.38 116.82 3fa4 h ARG 178 Ca -0.02 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.09 3fa4 h ARG 178 Cb 0.43 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.36 3fa4 h ARG 178 CO 0.04 0.15 0.10 0.00 -1.07 0.00 0.00 179.97 179.20 3fa4 h ALA 179 N 1.54 0.55 -0.38 0.04 0.00 -1.41 0.29 119.26 119.89 3fa4 h ALA 179 Ca 0.35 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 3fa4 h ALA 179 Cb 0.56 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3fa4 h ALA 179 CO -0.46 -0.30 0.19 0.00 0.00 0.00 0.00 179.25 178.68 3fa4 h ALA 180 N 1.38 0.49 -0.78 0.00 0.00 -0.85 -1.96 119.26 117.52 3fa4 h ALA 180 Ca 0.24 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.22 3fa4 h ALA 180 Cb 0.32 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.85 3fa4 h ALA 180 CO -0.31 0.04 0.28 -0.09 0.00 0.00 0.00 179.25 179.17 3fa4 h ARG 181 N 0.47 0.37 0.00 0.00 2.43 0.29 -1.52 114.38 116.42 3fa4 h ARG 181 Ca 0.13 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 3fa4 h ARG 181 Cb 0.10 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3fa4 h ARG 181 CO -0.02 0.24 -0.45 -0.44 -1.51 0.00 0.00 179.97 177.80 3fa4 h ASP 182 N 0.38 0.00 0.80 -3.80 3.32 0.21 -2.87 116.42 114.46 3fa4 h ASP 182 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3fa4 h ASP 182 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3fa4 h ASP 182 CO -0.47 0.45 -0.34 0.00 -1.72 0.00 0.00 179.24 177.16 3fa4 n ALA 183 N -2.27 2.97 0.00 3.45 0.00 -0.80 -4.93 120.51 118.93 3fa4 n ALA 183 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3fa4 n ALA 183 Cb 0.61 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3fa4 n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 184 N 1.45 1.68 3.76 0.00 0.00 -1.00 -4.67 105.19 106.41 3fa4 n GLY 184 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3fa4 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa4 s ALA 185 N -2.00 2.92 -0.10 4.61 0.00 -0.61 -4.91 121.76 121.67 3fa4 s ALA 185 Ca 0.00 1.07 0.15 0.00 0.00 0.00 0.00 51.96 53.18 3fa4 s ALA 185 Cb 0.00 -3.45 -0.23 0.00 0.00 0.00 0.00 23.12 19.44 3fa4 s ALA 185 CO 0.00 -0.90 0.49 -0.25 0.00 0.00 0.00 175.76 175.09 3fa4 n ASP 186 N -0.68 0.58 -3.89 0.00 8.00 0.28 -4.60 116.55 116.24 3fa4 n ASP 186 Ca 0.08 0.27 -0.11 0.00 0.71 0.00 0.00 54.79 55.74 3fa4 n ASP 186 Cb 0.47 0.33 -0.13 0.00 -0.02 0.00 0.00 41.12 41.77 3fa4 n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fa4 s VAL 187 N -2.61 0.03 -0.06 2.53 1.01 -0.95 -4.25 120.40 116.11 3fa4 s VAL 187 Ca -0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3fa4 s VAL 187 Cb 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.30 3fa4 s VAL 187 CO 0.83 -0.14 0.10 -0.83 0.00 0.00 0.00 175.10 175.05 3fa4 s GLY 188 N -0.42 2.05 -0.41 4.51 0.00 -0.31 -1.07 107.32 111.67 3fa4 s GLY 188 Ca -0.05 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 43.92 3fa4 s GLY 188 CO -0.00 -0.58 0.27 -0.12 0.00 0.00 0.00 173.10 172.66 3fa4 s PHE 189 N -1.09 1.34 -0.60 1.90 5.99 -0.04 0.02 117.98 125.49 3fa4 s PHE 189 Ca 0.19 -2.13 -0.27 0.00 0.00 0.00 0.00 56.93 54.72 3fa4 s PHE 189 Cb -0.12 -1.29 -0.01 0.00 0.00 0.00 0.00 43.02 41.59 3fa4 s PHE 189 CO 0.09 -0.80 1.75 -1.17 -0.00 0.00 0.00 175.22 175.10 3fa4 s LEU 190 N 0.46 3.31 0.13 6.12 0.20 -1.26 -1.60 118.68 126.04 3fa4 s LEU 190 Ca 0.22 0.34 -0.31 0.00 0.69 0.00 0.00 54.13 55.07 3fa4 s LEU 190 Cb -0.15 -2.67 -0.08 0.00 -0.43 0.00 0.00 46.19 42.86 3fa4 s LEU 190 CO -0.06 -2.20 1.32 -0.70 -0.29 0.00 0.00 176.35 174.42 3fa4 s GLU 191 N 6.64 4.37 0.00 1.98 2.56 -0.77 -3.96 118.70 129.53 3fa4 s GLU 191 Ca 0.64 2.00 0.00 0.00 0.00 0.00 0.00 54.97 57.61 3fa4 s GLU 191 Cb -0.13 -3.25 0.00 0.00 2.00 0.00 0.00 34.13 32.75 3fa4 s GLU 191 CO 0.22 -0.34 0.00 0.41 -0.56 0.00 0.00 175.26 174.99 3fa4 n GLY 192 N 3.08 0.90 3.60 -1.50 0.00 -1.26 -4.67 105.19 105.33 3fa4 n GLY 192 Ca 0.09 -0.60 -0.51 0.00 0.00 0.00 0.00 46.02 45.00 3fa4 n GLY 192 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa4 n ILE 193 N -3.03 0.08 0.46 -0.61 5.41 -1.25 -4.59 119.36 115.82 3fa4 n ILE 193 Ca 0.00 -0.02 0.09 0.00 1.00 0.00 0.00 62.75 63.82 3fa4 n ILE 193 Cb 0.34 -0.90 -0.12 0.00 -0.71 0.00 0.00 39.64 38.24 3fa4 n ILE 193 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 3fa4 n THR 194 N 2.53 0.00 -3.77 1.39 5.66 -1.26 -2.72 114.28 116.11 3fa4 n THR 194 Ca 0.18 -0.24 -0.09 0.00 -3.05 0.00 0.00 64.05 60.85 3fa4 n THR 194 Cb 0.21 0.57 -0.04 0.00 -1.55 0.00 0.00 70.33 69.52 3fa4 n THR 194 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3fa4 s SER 195 N -3.39 -0.25 0.19 1.09 1.04 -1.26 -4.64 113.70 106.48 3fa4 s SER 195 Ca 0.01 -0.52 -0.11 0.00 0.48 0.00 0.00 55.95 55.80 3fa4 s SER 195 Cb 0.13 0.59 0.11 0.00 0.10 0.00 0.00 66.02 66.95 3fa4 s SER 195 CO 0.77 -1.08 1.78 0.03 0.98 0.00 0.00 173.24 175.72 3fa4 h ARG 196 N 2.19 0.94 -0.69 4.02 3.08 -1.96 -2.62 114.38 119.34 3fa4 h ARG 196 Ca -0.28 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3fa4 h ARG 196 Cb 1.26 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.10 3fa4 h ARG 196 CO 0.36 0.74 0.45 1.49 -1.07 0.00 0.00 179.97 181.94 3fa4 h GLU 197 N 0.91 0.91 -0.58 0.04 4.81 -2.00 -2.29 114.58 116.39 3fa4 h GLU 197 Ca 0.23 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 3fa4 h GLU 197 Cb 0.10 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3fa4 h GLU 197 CO -0.03 0.61 0.11 1.98 -0.73 0.00 0.00 179.01 180.96 3fa4 h MET 198 N 0.94 0.91 -0.02 1.92 4.05 -1.95 -1.81 114.93 118.96 3fa4 h MET 198 Ca 0.25 -0.21 0.03 0.00 -0.28 0.00 0.00 59.70 59.49 3fa4 h MET 198 Cb -0.09 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.55 3fa4 h MET 198 CO -0.05 0.83 -0.15 0.00 0.23 0.00 0.00 176.91 177.77 3fa4 h ALA 199 N 1.26 -0.16 -0.55 0.39 0.00 -1.07 -1.92 119.26 117.21 3fa4 h ALA 199 Ca 0.18 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3fa4 h ALA 199 Cb 0.35 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3fa4 h ALA 199 CO 0.00 -0.63 0.33 0.00 0.00 0.00 0.00 179.25 178.95 3fa4 h ARG 200 N -0.24 0.74 -0.16 0.00 3.08 -1.40 -1.58 114.38 114.82 3fa4 h ARG 200 Ca 0.05 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3fa4 h ARG 200 Cb 0.31 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3fa4 h ARG 200 CO -0.15 0.53 0.03 0.37 -1.07 0.00 0.00 179.97 179.67 3fa4 h GLN 201 N 0.76 0.27 -0.40 0.04 5.75 -1.17 -1.11 115.11 119.25 3fa4 h GLN 201 Ca 0.20 -0.07 -0.12 0.00 -0.15 0.00 0.00 58.65 58.50 3fa4 h GLN 201 Cb -0.02 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 3fa4 h GLN 201 CO -0.04 0.45 -0.24 -0.24 -2.65 0.00 0.00 178.83 176.11 3fa4 h VAL 202 N 0.06 1.27 -0.21 2.39 3.04 -1.26 0.60 116.25 122.14 3fa4 h VAL 202 Ca 0.05 -1.37 0.04 0.00 -1.01 0.00 0.00 66.70 64.41 3fa4 h VAL 202 Cb 0.31 1.22 -0.04 0.00 -2.01 0.00 0.00 31.29 30.76 3fa4 h VAL 202 CO 0.00 0.46 -0.05 0.40 -1.01 0.00 0.00 177.57 177.37 3fa4 h ILE 203 N 0.71 0.80 0.05 3.17 2.04 -1.27 -1.77 117.51 121.23 3fa4 h ILE 203 Ca 0.09 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 3fa4 h ILE 203 Cb 0.77 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3fa4 h ILE 203 CO 0.06 0.00 -0.03 -0.61 0.00 0.00 0.00 178.15 177.58 3fa4 h GLN 204 N 0.00 -0.07 0.00 2.37 4.15 -0.89 -2.87 115.11 117.80 3fa4 h GLN 204 Ca 0.10 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 3fa4 h GLN 204 Cb 0.15 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 3fa4 h GLN 204 CO -0.21 0.03 -0.00 -0.44 -1.93 0.00 0.00 178.83 176.27 3fa4 h ASP 205 N -0.15 0.00 -0.14 -0.69 3.32 0.37 -1.79 116.42 117.34 3fa4 h ASP 205 Ca -0.01 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3fa4 h ASP 205 Cb 0.13 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.57 3fa4 h ASP 205 CO 0.01 0.00 -0.61 0.18 -1.72 0.00 0.00 179.24 177.11 3fa4 n LEU 206 N -3.21 2.96 -4.59 1.55 4.32 -0.68 -5.05 117.00 112.30 3fa4 n LEU 206 Ca -0.03 -3.91 -0.55 0.00 -0.02 0.00 0.00 56.01 51.50 3fa4 n LEU 206 Cb 0.07 -0.44 -0.07 0.00 -1.62 0.00 0.00 43.42 41.37 3fa4 n LEU 206 CO 0.21 1.46 0.88 0.00 -1.22 0.00 0.00 177.39 178.72 3fa4 n ALA 207 N -0.92 -1.57 0.00 -1.18 0.00 -0.68 -1.23 120.51 114.93 3fa4 n ALA 207 Ca 0.22 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.19 3fa4 n ALA 207 Cb 0.78 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3fa4 n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 208 N 2.52 3.32 3.27 0.00 0.00 -1.26 -5.05 105.19 107.99 3fa4 n GLY 208 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3fa4 n GLY 208 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fa4 s TRP 209 N -2.79 3.06 -0.01 1.61 -0.00 -0.37 -5.07 118.94 115.37 3fa4 s TRP 209 Ca 0.00 -1.20 -0.39 0.00 -0.00 0.00 0.00 56.10 54.50 3fa4 s TRP 209 Cb 0.00 -2.13 -0.19 0.00 -0.00 0.00 0.00 33.47 31.15 3fa4 s TRP 209 CO 0.00 -0.63 1.21 -2.30 -0.00 0.00 0.00 176.95 175.23 3fa4 n PRO 210 N 4.76 0.42 -5.25 5.86 -0.02 -1.26 -4.79 135.00 134.72 3fa4 n PRO 210 Ca -0.16 0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.15 3fa4 n PRO 210 Cb 0.48 -1.70 -0.16 0.00 -0.02 0.00 0.00 33.50 32.10 3fa4 n PRO 210 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fa4 s LEU 211 N 0.44 2.13 -0.15 2.45 1.43 -1.26 -1.16 118.68 122.56 3fa4 s LEU 211 Ca 0.90 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 53.42 3fa4 s LEU 211 Cb -1.17 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 3fa4 s LEU 211 CO 0.55 0.31 0.27 -0.22 0.23 0.00 0.00 176.35 177.49 3fa4 s LEU 212 N -0.53 4.27 -0.25 1.79 0.20 0.10 -0.42 118.68 123.84 3fa4 s LEU 212 Ca 0.08 0.51 -0.10 0.00 0.69 0.00 0.00 54.13 55.30 3fa4 s LEU 212 Cb -0.11 -2.33 -0.05 0.00 -0.43 0.00 0.00 46.19 43.27 3fa4 s LEU 212 CO 0.00 0.15 0.15 -0.22 -0.29 0.00 0.00 176.35 176.15 3fa4 s LEU 213 N 0.19 3.98 -0.33 -0.68 2.96 -0.59 -4.36 118.68 119.86 3fa4 s LEU 213 Ca 0.16 0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 53.93 3fa4 s LEU 213 Cb -0.13 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 3fa4 s LEU 213 CO 0.04 0.03 0.49 0.21 -1.32 0.00 0.00 176.35 175.80 3fa4 s ASN 214 N 1.28 6.32 -0.84 3.68 2.47 -1.26 -1.80 114.94 124.80 3fa4 s ASN 214 Ca 0.07 0.09 -0.00 0.00 0.42 0.00 0.00 52.86 53.43 3fa4 s ASN 214 Cb -0.14 -2.26 0.21 0.00 -1.45 0.00 0.00 41.25 37.60 3fa4 s ASN 214 CO 0.06 -0.41 0.70 -0.04 -3.72 0.00 0.00 177.10 173.69 3fa4 s MET 215 N 2.33 3.06 -0.40 0.43 -1.94 -0.50 -4.83 119.30 117.45 3fa4 s MET 215 Ca 0.18 -3.27 -0.17 0.00 -1.71 0.00 0.00 55.69 50.73 3fa4 s MET 215 Cb -0.16 -3.83 0.01 0.00 2.01 0.00 0.00 34.83 32.87 3fa4 s MET 215 CO 0.12 -1.27 0.41 0.08 -0.01 0.00 0.00 175.02 174.35 3fa4 s VAL 216 N -1.33 5.12 0.45 -6.03 1.01 -1.26 -4.30 120.40 114.06 3fa4 s VAL 216 Ca 0.26 -0.29 -0.23 0.00 0.00 0.00 0.00 61.98 61.73 3fa4 s VAL 216 Cb -0.07 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 3fa4 s VAL 216 CO -0.13 -0.34 1.11 -1.61 0.00 0.00 0.00 175.10 174.13 3fa4 s GLU 217 N 2.07 3.85 -0.69 2.72 2.02 -1.26 -3.20 118.70 124.22 3fa4 s GLU 217 Ca 0.11 1.64 0.05 0.00 0.02 0.00 0.00 54.97 56.80 3fa4 s GLU 217 Cb -0.17 -2.39 0.21 0.00 0.10 0.00 0.00 34.13 31.88 3fa4 s GLU 217 CO 0.13 -0.44 0.63 0.72 0.02 0.00 0.00 175.26 176.32 3fa4 n HIS 218 N -0.47 3.47 0.00 1.61 -0.00 -1.26 -5.07 115.22 113.50 3fa4 n HIS 218 Ca 0.07 -4.22 0.00 0.00 -0.00 0.00 0.00 57.72 53.57 3fa4 n HIS 218 Cb 0.49 -0.62 0.00 0.00 -0.00 0.00 0.00 29.99 29.86 3fa4 n HIS 218 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3fa4 n GLY 219 N 1.44 1.54 0.05 -1.41 0.00 -1.19 -5.00 105.19 100.62 3fa4 n GLY 219 Ca 0.25 -1.42 0.11 0.00 0.00 0.00 0.00 46.02 44.96 3fa4 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa4 n ALA 220 N -3.00 3.19 -2.57 4.61 0.00 -1.26 -4.87 120.51 116.60 3fa4 n ALA 220 Ca 0.00 -0.35 -0.41 0.00 0.00 0.00 0.00 53.44 52.69 3fa4 n ALA 220 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 3fa4 n ALA 220 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fa4 s THR 221 N -3.20 4.84 0.65 0.00 2.01 -1.10 -4.17 115.64 114.66 3fa4 s THR 221 Ca 0.04 1.77 -0.18 0.00 0.31 0.00 0.00 61.69 63.64 3fa4 s THR 221 Cb 0.14 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 3fa4 s THR 221 CO 0.78 0.26 1.24 -2.84 -0.69 0.00 0.00 174.62 173.37 3fa4 s PRO 222 N 0.54 2.62 -0.58 4.92 0.02 -1.26 -4.87 135.00 136.39 3fa4 s PRO 222 Ca 0.44 1.90 -0.29 0.00 0.02 0.00 0.00 61.00 63.07 3fa4 s PRO 222 Cb -0.20 -1.87 -0.11 0.00 0.02 0.00 0.00 34.50 32.33 3fa4 s PRO 222 CO 0.24 -1.50 2.44 0.43 -0.33 0.00 0.00 177.00 178.28 3fa4 n SER 223 N -1.97 1.82 -4.13 2.53 7.64 -1.26 -4.96 113.62 113.28 3fa4 n SER 223 Ca 0.14 -0.14 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 3fa4 n SER 223 Cb 0.49 -1.36 -0.16 0.00 -1.01 0.00 0.00 64.21 62.18 3fa4 n SER 223 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3fa4 s ILE 224 N 10.37 2.23 0.93 0.44 1.01 -1.26 -5.13 121.20 129.80 3fa4 s ILE 224 Ca 1.10 -1.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.63 3fa4 s ILE 224 Cb -0.58 -2.01 0.15 0.00 0.01 0.00 0.00 42.46 40.03 3fa4 s ILE 224 CO 0.36 0.43 1.09 -0.94 0.00 0.00 0.00 174.94 175.89 3fa4 s SER 225 N 1.28 3.19 0.14 3.58 1.04 -1.26 -4.76 113.70 116.91 3fa4 s SER 225 Ca 0.03 1.34 -0.27 0.00 0.48 0.00 0.00 55.95 57.53 3fa4 s SER 225 Cb -0.14 -2.02 -0.03 0.00 0.10 0.00 0.00 66.02 63.93 3fa4 s SER 225 CO -0.11 -2.80 1.60 0.00 0.98 0.00 0.00 173.24 172.91 3fa4 h ALA 226 N -1.66 -0.46 -0.28 5.32 0.00 -2.00 -2.05 119.26 118.14 3fa4 h ALA 226 Ca -0.51 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 3fa4 h ALA 226 Cb 1.30 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 3fa4 h ALA 226 CO 0.56 -0.85 -0.07 0.00 0.00 0.00 0.00 179.25 178.89 3fa4 h ALA 227 N 0.31 1.35 0.12 0.00 0.00 -1.99 -2.16 119.26 116.88 3fa4 h ALA 227 Ca 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3fa4 h ALA 227 Cb 0.58 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3fa4 h ALA 227 CO -0.39 0.44 -0.06 1.49 0.00 0.00 0.00 179.25 180.73 3fa4 h GLU 228 N 0.43 -0.15 -0.57 0.00 4.81 -1.90 -2.19 114.58 115.01 3fa4 h GLU 228 Ca 0.09 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.45 3fa4 h GLU 228 Cb 0.39 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.71 3fa4 h GLU 228 CO 0.02 0.06 -0.05 0.00 -0.73 0.00 0.00 179.01 178.31 3fa4 h ALA 229 N 0.52 0.50 -0.75 2.92 0.00 -1.13 -0.40 119.26 120.92 3fa4 h ALA 229 Ca -0.02 0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.17 3fa4 h ALA 229 Cb 0.28 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 3fa4 h ALA 229 CO 0.03 -0.41 0.40 -0.22 0.00 0.00 0.00 179.25 179.05 3fa4 h LYS 230 N 0.07 0.66 -0.42 0.00 3.64 -1.45 -1.04 116.57 118.03 3fa4 h LYS 230 Ca 0.29 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 3fa4 h LYS 230 Cb 0.46 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3fa4 h LYS 230 CO -0.52 0.44 -0.01 1.49 -2.27 0.00 0.00 179.45 178.58 3fa4 h GLU 231 N 0.68 0.69 -0.43 1.90 4.81 -0.60 -2.92 114.58 118.71 3fa4 h GLU 231 Ca 0.36 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 3fa4 h GLU 231 Cb 0.34 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3fa4 h GLU 231 CO -0.25 0.71 -0.15 0.52 -0.73 0.00 0.00 179.01 179.11 3fa4 h MET 232 N 0.65 0.86 0.00 1.92 2.86 -0.73 -3.48 114.93 117.01 3fa4 h MET 232 Ca 0.13 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 3fa4 h MET 232 Cb 0.41 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3fa4 h MET 232 CO 0.02 0.98 0.00 0.41 1.06 0.00 0.00 176.91 179.38 3fa4 n GLY 233 N -0.15 0.22 3.70 8.32 0.00 -0.51 -4.94 105.19 111.83 3fa4 n GLY 233 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3fa4 n GLY 233 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa4 s PHE 234 N -1.01 1.81 -0.34 1.61 0.40 -0.54 -4.69 117.98 115.22 3fa4 s PHE 234 Ca 0.00 1.72 0.11 0.00 -0.60 0.00 0.00 56.93 58.16 3fa4 s PHE 234 Cb 0.00 -3.37 -0.14 0.00 0.51 0.00 0.00 43.02 40.01 3fa4 s PHE 234 CO 0.00 -2.70 0.39 0.54 0.70 0.00 0.00 175.22 174.15 3fa4 n ARG 235 N -3.71 2.21 -4.09 0.44 5.12 0.44 -4.42 116.66 112.66 3fa4 n ARG 235 Ca 0.12 -0.04 -0.14 0.00 -1.93 0.00 0.00 57.85 55.86 3fa4 n ARG 235 Cb 0.51 -1.12 -0.13 0.00 -1.16 0.00 0.00 32.46 30.56 3fa4 n ARG 235 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3fa4 s ILE 236 N -2.33 0.38 -0.04 0.55 1.01 -1.09 -0.06 121.20 119.62 3fa4 s ILE 236 Ca 0.01 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.25 3fa4 s ILE 236 Cb 0.08 -0.37 0.00 0.00 0.01 0.00 0.00 42.46 42.18 3fa4 s ILE 236 CO 0.47 -0.05 -0.13 -0.51 0.00 0.00 0.00 174.94 174.71 3fa4 s ILE 237 N -0.49 1.15 0.06 2.92 2.07 -0.07 -1.54 121.20 125.30 3fa4 s ILE 237 Ca -0.02 -0.54 0.07 0.00 -1.41 0.00 0.00 60.65 58.75 3fa4 s ILE 237 Cb -0.04 -1.01 -0.04 0.00 0.13 0.00 0.00 42.46 41.50 3fa4 s ILE 237 CO -0.00 0.34 -0.15 0.27 -1.91 0.00 0.00 174.94 173.49 3fa4 s ILE 238 N 0.23 3.02 -0.61 2.00 -4.36 -0.74 -0.98 121.20 119.76 3fa4 s ILE 238 Ca -0.06 -1.22 0.06 0.00 -0.26 0.00 0.00 60.65 59.17 3fa4 s ILE 238 Cb -0.11 -2.33 0.22 0.00 1.25 0.00 0.00 42.46 41.48 3fa4 s ILE 238 CO 0.02 0.25 0.61 0.49 0.24 0.00 0.00 174.94 176.54 3fa4 n PHE 239 N 1.22 2.63 0.31 1.37 3.01 -0.93 -1.41 117.46 123.67 3fa4 n PHE 239 Ca -0.15 -4.06 0.20 0.00 1.01 0.00 0.00 57.45 54.44 3fa4 n PHE 239 Cb 0.52 -0.48 1.06 0.00 -0.01 0.00 0.00 39.48 40.57 3fa4 n PHE 239 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3fa4 h PRO 240 N 4.66 0.00 -0.32 -1.08 0.11 -1.86 0.38 132.00 133.88 3fa4 h PRO 240 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3fa4 h PRO 240 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3fa4 h PRO 240 CO 0.71 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.69 3fa4 n PHE 241 N -3.29 0.42 -0.31 0.65 3.01 -1.26 -4.53 117.46 112.16 3fa4 n PHE 241 Ca -0.02 -0.35 0.14 0.00 1.01 0.00 0.00 57.45 58.22 3fa4 n PHE 241 Cb 0.15 -0.01 0.30 0.00 -0.01 0.00 0.00 39.48 39.90 3fa4 n PHE 241 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fa4 h ALA 242 N 2.69 1.28 0.00 4.37 0.00 -1.61 -2.82 119.26 123.18 3fa4 h ALA 242 Ca 0.00 0.25 -0.38 0.00 0.00 0.00 0.00 54.91 54.78 3fa4 h ALA 242 Cb 0.74 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 3fa4 h ALA 242 CO 0.00 -0.51 -2.40 0.00 0.00 0.00 0.00 179.25 176.34 3fa4 n ALA 243 N -2.77 1.45 -0.04 0.00 0.00 -1.23 -4.51 120.51 113.41 3fa4 n ALA 243 Ca 0.22 -1.04 -0.09 0.00 0.00 0.00 0.00 53.44 52.54 3fa4 n ALA 243 Cb 0.72 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 20.12 3fa4 n ALA 243 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fa4 h LEU 244 N -0.17 -0.18 0.29 0.00 3.38 -1.83 -2.29 115.31 114.52 3fa4 h LEU 244 Ca -0.56 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 3fa4 h LEU 244 Cb 1.79 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.66 3fa4 h LEU 244 CO -0.14 -0.06 -0.14 1.23 0.09 0.00 0.00 178.44 179.42 3fa4 h GLY 245 N 0.00 -0.40 0.51 0.83 0.00 -1.78 -2.47 103.07 99.77 3fa4 h GLY 245 Ca 0.09 0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.63 3fa4 h GLY 245 CO -0.20 -0.15 0.10 -2.55 0.00 0.00 0.00 176.54 173.75 3fa4 h PRO 246 N -0.68 0.23 -0.21 4.80 0.11 -1.79 -2.79 132.00 131.67 3fa4 h PRO 246 Ca -0.04 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.11 3fa4 h PRO 246 Cb 0.47 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.47 3fa4 h PRO 246 CO 0.06 0.15 -0.17 0.00 -0.21 0.00 0.00 178.00 177.84 3fa4 h ALA 247 N 1.31 -0.03 -0.79 -0.75 0.00 -1.47 -2.01 119.26 115.52 3fa4 h ALA 247 Ca 0.20 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3fa4 h ALA 247 Cb 0.24 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3fa4 h ALA 247 CO -0.25 -0.60 0.42 0.28 0.00 0.00 0.00 179.25 179.10 3fa4 h VAL 248 N -0.17 1.24 -0.32 0.00 2.07 -1.38 -2.21 116.25 115.47 3fa4 h VAL 248 Ca 0.12 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3fa4 h VAL 248 Cb 0.36 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3fa4 h VAL 248 CO -0.31 0.27 0.18 0.00 0.02 0.00 0.00 177.57 177.73 3fa4 h ALA 249 N 1.22 0.41 0.38 1.67 0.00 -1.44 -0.90 119.26 120.60 3fa4 h ALA 249 Ca 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3fa4 h ALA 249 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3fa4 h ALA 249 CO -0.04 -0.06 -0.18 0.00 0.00 0.00 0.00 179.25 178.97 3fa4 h ALA 250 N 1.04 -0.51 -1.07 0.00 0.00 -1.27 -2.12 119.26 115.33 3fa4 h ALA 250 Ca 0.11 -0.18 0.33 0.00 0.00 0.00 0.00 54.91 55.17 3fa4 h ALA 250 Cb 0.06 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 17.91 3fa4 h ALA 250 CO -0.02 -0.63 0.64 0.52 0.00 0.00 0.00 179.25 179.77 3fa4 h MET 251 N -0.82 0.30 0.47 0.00 2.86 -1.47 0.17 114.93 116.44 3fa4 h MET 251 Ca -0.05 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3fa4 h MET 251 Cb 0.53 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3fa4 h MET 251 CO 0.09 0.20 -0.23 0.00 1.06 0.00 0.00 176.91 178.02 3fa4 h ARG 252 N 0.30 -0.61 -0.81 1.72 3.08 -0.96 0.54 114.38 117.64 3fa4 h ARG 252 Ca 0.72 0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.96 3fa4 h ARG 252 Cb 1.79 0.14 -0.15 0.00 0.08 0.00 0.00 29.97 31.84 3fa4 h ARG 252 CO -0.51 -0.41 -0.30 1.49 -1.07 0.00 0.00 179.97 179.17 3fa4 h GLU 253 N -1.03 -0.05 -0.54 0.04 4.57 -1.18 -1.31 114.58 115.07 3fa4 h GLU 253 Ca -0.07 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 3fa4 h GLU 253 Cb 0.49 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.05 3fa4 h GLU 253 CO 0.11 -0.03 0.30 0.00 -1.18 0.00 0.00 179.01 178.20 3fa4 h ALA 254 N 1.44 0.70 -0.22 2.92 0.00 -0.60 -1.22 119.26 122.29 3fa4 h ALA 254 Ca 0.34 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 3fa4 h ALA 254 Cb 0.59 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3fa4 h ALA 254 CO -0.85 -0.02 -0.12 0.52 0.00 0.00 0.00 179.25 178.78 3fa4 h MET 255 N 0.58 0.47 -0.11 0.00 2.07 -0.24 -0.31 114.93 117.39 3fa4 h MET 255 Ca 0.23 -0.21 -0.08 0.00 -2.07 0.00 0.00 59.70 57.57 3fa4 h MET 255 Cb 0.10 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.80 3fa4 h MET 255 CO -0.14 0.75 -0.31 0.93 1.07 0.00 0.00 176.91 179.22 3fa4 h GLU 256 N 0.17 0.21 -0.44 1.72 5.08 -1.17 0.78 114.58 120.94 3fa4 h GLU 256 Ca 0.05 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3fa4 h GLU 256 Cb 0.62 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3fa4 h GLU 256 CO 0.03 0.50 0.08 -0.22 -1.00 0.00 0.00 179.01 178.40 3fa4 h LYS 257 N 0.19 0.72 -0.62 2.33 3.64 -1.22 -2.25 116.57 119.35 3fa4 h LYS 257 Ca 0.03 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.16 3fa4 h LYS 257 Cb 0.64 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 3fa4 h LYS 257 CO 0.05 0.75 0.18 1.25 -2.27 0.00 0.00 179.45 179.41 3fa4 h LEU 258 N 0.59 0.89 -0.47 5.20 5.85 -0.39 -2.16 115.31 124.81 3fa4 h LEU 258 Ca 0.13 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 3fa4 h LEU 258 Cb 0.37 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3fa4 h LEU 258 CO 0.01 0.84 -0.02 0.50 -0.34 0.00 0.00 178.44 179.44 3fa4 h LYS 259 N 0.92 0.85 -0.07 1.25 1.63 -0.84 0.29 116.57 120.60 3fa4 h LYS 259 Ca 0.20 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 3fa4 h LYS 259 Cb 0.28 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 3fa4 h LYS 259 CO -0.01 0.90 0.02 0.00 -3.45 0.00 0.00 179.45 176.92 3fa4 h ARG 260 N 0.70 0.10 0.13 1.90 3.08 -1.38 -3.38 114.38 115.53 3fa4 h ARG 260 Ca 0.13 -0.02 -0.33 0.00 0.07 0.00 0.00 59.98 59.83 3fa4 h ARG 260 Cb 0.53 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3fa4 h ARG 260 CO 0.03 0.28 -1.68 -0.44 -1.07 0.00 0.00 179.97 177.08 3fa4 h ASP 261 N -0.09 0.42 -0.04 7.04 3.45 -1.33 -3.49 116.42 122.38 3fa4 h ASP 261 Ca 0.02 -0.67 -0.02 0.00 0.43 0.00 0.00 57.03 56.80 3fa4 h ASP 261 Cb 0.22 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 3fa4 h ASP 261 CO -0.00 1.57 -0.02 0.61 -1.57 0.00 0.00 179.24 179.83 3fa4 n GLY 262 N 1.76 0.49 3.33 2.75 0.00 1.00 -5.02 105.19 109.50 3fa4 n GLY 262 Ca -0.21 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 3fa4 n GLY 262 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fa4 s ILE 263 N -1.99 0.04 -0.34 -0.61 2.07 -1.26 -5.08 121.20 114.04 3fa4 s ILE 263 Ca 0.00 -0.36 0.20 0.00 -1.41 0.00 0.00 60.65 59.09 3fa4 s ILE 263 Cb 0.00 -0.81 0.23 0.00 0.13 0.00 0.00 42.46 42.01 3fa4 s ILE 263 CO 0.00 -0.20 1.52 1.55 -1.91 0.00 0.00 174.94 175.90 3fa4 h PRO 264 N 3.39 0.00 -6.22 3.50 0.13 -1.90 -3.40 132.00 127.49 3fa4 h PRO 264 Ca -0.30 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.37 3fa4 h PRO 264 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3fa4 h PRO 264 CO 0.41 0.16 -0.74 0.41 -0.23 0.00 0.00 178.00 178.00 3fa4 n GLY 265 N 1.15 -0.51 3.75 1.56 0.00 -1.26 -4.78 105.19 105.11 3fa4 n GLY 265 Ca 0.03 0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 3fa4 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fa4 s LEU 266 N -7.29 3.91 0.64 0.99 1.02 -1.26 -5.00 118.68 111.68 3fa4 s LEU 266 Ca 0.66 2.78 -0.18 0.00 0.02 0.00 0.00 54.13 57.41 3fa4 s LEU 266 Cb -0.32 -4.21 -0.01 0.00 0.02 0.00 0.00 46.19 41.67 3fa4 s LEU 266 CO 0.81 -1.48 1.22 -0.62 0.02 0.00 0.00 176.35 176.30 3fa4 s ASP 267 N -0.88 4.85 0.64 2.29 2.15 -1.26 -4.90 116.67 119.55 3fa4 s ASP 267 Ca 0.69 2.41 0.32 0.00 0.43 0.00 0.00 52.55 56.40 3fa4 s ASP 267 Cb -0.41 -2.60 1.73 0.00 -0.30 0.00 0.00 42.92 41.35 3fa4 s ASP 267 CO 0.49 -1.82 2.03 0.07 -0.17 0.00 0.00 175.17 175.76 3fa4 h LYS 268 N 0.51 0.00 0.00 4.34 2.10 -2.06 -0.68 116.57 120.79 3fa4 h LYS 268 Ca -0.50 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.14 3fa4 h LYS 268 Cb 1.30 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.63 3fa4 h LYS 268 CO 0.53 0.00 -0.90 1.05 -2.00 0.00 0.00 179.45 178.13 3fa4 h GLU 269 N 0.00 0.00 -5.84 0.07 9.09 -2.04 -3.43 114.58 112.43 3fa4 h GLU 269 Ca 0.06 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 58.85 3fa4 h GLU 269 Cb 0.60 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 27.59 3fa4 h GLU 269 CO -0.00 0.02 1.16 -1.64 0.05 0.00 0.00 179.01 178.60 3fa4 s MET 270 N -3.33 3.46 0.06 1.06 -1.94 -0.26 -4.66 119.30 113.70 3fa4 s MET 270 Ca 0.00 -1.07 -0.05 0.00 -1.71 0.00 0.00 55.69 52.86 3fa4 s MET 270 Cb 0.09 -4.91 -0.02 0.00 2.01 0.00 0.00 34.83 32.00 3fa4 s MET 270 CO 0.78 -2.06 0.09 0.95 -0.01 0.00 0.00 175.02 174.77 3fa4 s THR 271 N 4.50 0.17 0.22 2.05 -4.23 -1.26 -4.80 115.64 112.29 3fa4 s THR 271 Ca 0.38 -1.38 -0.08 0.00 -1.18 0.00 0.00 61.69 59.43 3fa4 s THR 271 Cb -0.04 -1.30 0.17 0.00 1.34 0.00 0.00 72.50 72.66 3fa4 s THR 271 CO -0.03 -0.76 1.82 -0.65 -0.54 0.00 0.00 174.62 174.45 3fa4 h PRO 272 N 3.10 0.74 -0.93 3.99 0.11 -1.99 -1.29 132.00 135.73 3fa4 h PRO 272 Ca -0.34 -0.04 0.24 0.00 0.11 0.00 0.00 66.00 65.97 3fa4 h PRO 272 Cb 1.17 -0.17 -0.13 0.00 0.11 0.00 0.00 31.00 31.99 3fa4 h PRO 272 CO 0.58 0.49 0.44 1.96 -0.21 0.00 0.00 178.00 181.26 3fa4 h GLN 273 N 0.76 0.39 0.01 1.05 7.50 -1.97 0.27 115.11 123.12 3fa4 h GLN 273 Ca 0.33 -0.02 -0.20 0.00 0.50 0.00 0.00 58.65 59.26 3fa4 h GLN 273 Cb 0.21 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 3fa4 h GLN 273 CO -0.19 0.26 -0.90 0.00 -1.50 0.00 0.00 178.83 176.50 3fa4 h MET 274 N 0.41 0.17 -0.74 1.46 -0.00 -1.56 -1.44 114.93 113.24 3fa4 h MET 274 Ca 0.60 -0.19 -0.02 0.00 -0.00 0.00 0.00 59.70 60.08 3fa4 h MET 274 Cb 1.17 0.06 -0.04 0.00 -0.00 0.00 0.00 31.60 32.79 3fa4 h MET 274 CO -0.54 0.96 0.39 1.25 -0.00 0.00 0.00 176.91 178.97 3fa4 h LEU 275 N 0.09 0.92 -0.35 -0.10 5.85 0.24 -0.16 115.31 121.79 3fa4 h LEU 275 Ca -0.04 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.44 3fa4 h LEU 275 Cb 1.54 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 3fa4 h LEU 275 CO 0.13 0.75 -0.73 -0.26 -0.34 0.00 0.00 178.44 177.99 3fa4 h PHE 276 N 1.03 0.00 -0.21 1.25 0.05 -0.56 -2.69 116.94 115.80 3fa4 h PHE 276 Ca 0.26 0.00 -0.20 0.00 3.82 0.00 0.00 57.97 61.84 3fa4 h PHE 276 Cb 0.04 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.00 3fa4 h PHE 276 CO 0.01 0.73 -0.67 0.00 -0.18 0.00 0.00 178.31 178.19 3fa4 h ARG 277 N 0.00 0.81 -0.66 1.51 -0.00 -1.01 -1.76 114.38 113.27 3fa4 h ARG 277 Ca -0.01 -0.59 0.05 0.00 -0.50 0.00 0.00 59.98 58.93 3fa4 h ARG 277 Cb 1.39 0.10 -0.05 0.00 0.00 0.00 0.00 29.97 31.42 3fa4 h ARG 277 CO 0.09 1.21 0.39 0.28 0.00 0.00 0.00 179.97 181.94 3fa4 h VAL 278 N 0.59 1.02 -0.49 2.04 2.07 -0.98 -2.82 116.25 117.68 3fa4 h VAL 278 Ca -0.02 -0.25 -0.30 0.00 0.82 0.00 0.00 66.70 66.94 3fa4 h VAL 278 Cb 1.29 0.22 -0.15 0.00 -1.52 0.00 0.00 31.29 31.13 3fa4 h VAL 278 CO 0.14 0.13 0.39 0.00 0.02 0.00 0.00 177.57 178.25 3fa4 n GLY 280 N 0.09 -0.77 0.33 0.00 0.00 -1.06 -4.92 105.19 98.86 3fa4 n GLY 280 Ca 0.30 0.36 -0.06 0.00 0.00 0.00 0.00 46.02 46.62 3fa4 n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fa4 h LEU 281 N -2.03 1.03 -1.29 0.99 5.85 -1.49 -2.98 115.31 115.39 3fa4 h LEU 281 Ca -0.67 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 57.91 3fa4 h LEU 281 Cb 1.37 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 3fa4 h LEU 281 CO 0.53 0.89 -0.01 0.44 -0.34 0.00 0.00 178.44 179.94 3fa4 h ASP 282 N 1.10 0.00 0.46 1.25 3.32 -1.89 -1.68 116.42 118.98 3fa4 h ASP 282 Ca 0.27 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.02 3fa4 h ASP 282 Cb 0.14 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 3fa4 h ASP 282 CO -0.03 0.01 -1.71 -0.33 -1.72 0.00 0.00 179.24 175.46 3fa4 h GLU 283 N 0.00 0.06 -0.10 3.56 5.08 -1.93 -3.16 114.58 118.09 3fa4 h GLU 283 Ca -0.00 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3fa4 h GLU 283 Cb 0.57 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3fa4 h GLU 283 CO 0.00 0.68 0.05 0.77 -1.00 0.00 0.00 179.01 179.51 3fa4 h SER 284 N 0.02 0.13 0.70 1.42 0.02 -1.29 -0.83 113.55 113.71 3fa4 h SER 284 Ca -0.29 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.49 3fa4 h SER 284 Cb 2.00 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.50 3fa4 h SER 284 CO 0.09 0.20 -0.32 0.00 -1.14 0.00 0.00 176.83 175.65 3fa4 h MET 285 N 0.06 0.00 -0.07 3.45 -0.00 -1.48 -1.70 114.93 115.18 3fa4 h MET 285 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.73 3fa4 h MET 285 Cb 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.69 3fa4 h MET 285 CO -0.01 0.32 0.04 -0.22 -0.00 0.00 0.00 176.91 177.05 3fa4 h LYS 286 N 0.00 0.10 -0.62 -0.10 3.64 -1.46 0.22 116.57 118.35 3fa4 h LYS 286 Ca -0.00 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.47 3fa4 h LYS 286 Cb 0.75 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.48 3fa4 h LYS 286 CO 0.04 0.15 0.20 0.28 -2.27 0.00 0.00 179.45 177.86 3fa4 h VAL 287 N 0.03 0.72 -0.22 2.00 2.07 -0.89 -0.02 116.25 119.95 3fa4 h VAL 287 Ca 0.03 -0.13 -0.20 0.00 0.82 0.00 0.00 66.70 67.22 3fa4 h VAL 287 Cb 0.08 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3fa4 h VAL 287 CO -0.00 0.07 -0.64 -0.78 0.02 0.00 0.00 177.57 176.23 3fa4 h ASP 288 N 0.37 0.94 0.40 0.57 1.82 -1.12 -2.57 116.42 116.83 3fa4 h ASP 288 Ca 0.32 -0.58 -0.20 0.00 -0.39 0.00 0.00 57.03 56.18 3fa4 h ASP 288 Cb 0.43 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.16 3fa4 h ASP 288 CO -0.34 1.36 -0.84 0.00 -1.61 0.00 0.00 179.24 177.80 3fa4 h ALA 289 N 0.61 0.51 -0.75 -0.78 0.00 -0.53 -2.51 119.26 115.81 3fa4 h ALA 289 Ca -0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 3fa4 h ALA 289 Cb 1.26 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3fa4 h ALA 289 CO 0.14 0.83 0.43 0.37 0.00 0.00 0.00 179.25 181.02 3fa4 h GLN 290 N 0.20 1.02 -0.17 0.00 4.15 -0.95 -3.07 115.11 116.28 3fa4 h GLN 290 Ca -0.05 -0.10 -0.21 0.00 0.77 0.00 0.00 58.65 59.06 3fa4 h GLN 290 Cb 1.45 -0.21 0.01 0.00 0.21 0.00 0.00 27.48 28.94 3fa4 h GLN 290 CO 0.14 0.73 -0.71 0.00 -1.93 0.00 0.00 178.83 177.06 3fa4 h ALA 291 N 1.44 0.32 0.00 3.38 0.00 -1.37 -3.51 119.26 119.51 3fa4 h ALA 291 Ca 0.27 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3fa4 h ALA 291 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fa4 h ALA 291 CO -0.05 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.26