#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa4 s MET 3 N 0.00 4.08 0.23 0.54 -1.94 -1.26 -5.07 119.30 115.88 3fa4 s MET 3 Ca 0.00 2.17 0.09 0.00 -1.71 0.00 0.00 55.69 56.24 3fa4 s MET 3 Cb 0.00 -2.84 -0.04 0.00 2.01 0.00 0.00 34.83 33.96 3fa4 s MET 3 CO 0.00 -0.40 -0.06 0.08 -0.01 0.00 0.00 175.02 174.63 3fa4 s VAL 4 N -1.23 3.28 0.16 -6.03 1.01 -1.26 -5.16 120.40 111.17 3fa4 s VAL 4 Ca 0.55 -1.82 0.08 0.00 0.00 0.00 0.00 61.98 60.79 3fa4 s VAL 4 Cb -0.38 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3fa4 s VAL 4 CO 0.50 -0.25 -0.17 0.28 0.00 0.00 0.00 175.10 175.46 3fa4 s THR 5 N -2.04 1.74 -1.71 3.92 -1.32 -1.26 -5.01 115.64 109.96 3fa4 s THR 5 Ca 0.28 -1.93 0.19 0.00 -1.21 0.00 0.00 61.69 59.02 3fa4 s THR 5 Cb -0.07 -1.83 0.43 0.00 -1.51 0.00 0.00 72.50 69.52 3fa4 s THR 5 CO 0.17 -0.37 1.55 0.00 -2.21 0.00 0.00 174.62 173.76 3fa4 n ALA 6 N 0.23 2.09 0.01 11.08 0.00 -1.24 -3.30 120.51 129.38 3fa4 n ALA 6 Ca -0.13 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.10 3fa4 n ALA 6 Cb 0.57 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 3fa4 n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa4 h ALA 7 N 3.03 0.08 -0.74 0.00 0.00 -1.80 -2.31 119.26 117.52 3fa4 h ALA 7 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3fa4 h ALA 7 Cb 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3fa4 h ALA 7 CO 0.00 -0.42 0.33 1.15 0.00 0.00 0.00 179.25 180.31 3fa4 h THR 8 N 0.07 1.24 0.15 0.00 2.02 -1.78 0.14 112.91 114.75 3fa4 h THR 8 Ca 0.02 -0.72 -0.29 0.00 0.77 0.00 0.00 66.41 66.20 3fa4 h THR 8 Cb 0.01 0.32 0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3fa4 h THR 8 CO -0.00 0.30 -1.30 0.77 0.37 0.00 0.00 175.52 175.65 3fa4 h SER 9 N 1.06 0.48 -0.20 4.18 4.64 -1.66 -2.25 113.55 119.80 3fa4 h SER 9 Ca 0.25 -0.53 0.05 0.00 -0.47 0.00 0.00 61.79 61.09 3fa4 h SER 9 Cb 0.15 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 3fa4 h SER 9 CO -0.03 1.42 -0.14 0.25 -0.87 0.00 0.00 176.83 177.46 3fa4 h LEU 10 N 0.08 -0.45 -0.44 5.97 5.85 -1.34 -0.42 115.31 124.57 3fa4 h LEU 10 Ca -0.16 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.72 3fa4 h LEU 10 Cb 2.01 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 43.21 3fa4 h LEU 10 CO 0.21 -0.18 0.12 -0.09 -0.34 0.00 0.00 178.44 178.16 3fa4 h ARG 11 N -0.14 0.26 -0.48 1.25 2.43 -0.74 -0.48 114.38 116.48 3fa4 h ARG 11 Ca 0.12 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 3fa4 h ARG 11 Cb 0.31 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3fa4 h ARG 11 CO -0.28 0.17 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.23 3fa4 h ARG 12 N 0.27 0.81 -0.12 0.20 2.43 -1.17 -2.00 114.38 114.79 3fa4 h ARG 12 Ca 0.21 -0.23 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 3fa4 h ARG 12 Cb 0.24 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3fa4 h ARG 12 CO -0.25 0.83 -0.49 0.00 -1.51 0.00 0.00 179.97 178.56 3fa4 h ALA 13 N 1.22 0.93 -0.05 2.80 0.00 -0.27 -3.07 119.26 120.82 3fa4 h ALA 13 Ca 0.14 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 3fa4 h ALA 13 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3fa4 h ALA 13 CO 0.03 0.66 -0.58 -0.07 0.00 0.00 0.00 179.25 179.28 3fa4 h LEU 14 N 0.26 0.17 0.00 0.00 3.38 -0.74 -2.33 115.31 116.05 3fa4 h LEU 14 Ca 0.01 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3fa4 h LEU 14 Cb 0.96 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3fa4 h LEU 14 CO 0.08 0.72 0.00 -0.62 0.09 0.00 0.00 178.44 178.71 3fa4 n GLU 15 N -3.87 0.27 -3.67 1.13 1.02 -0.79 -4.63 120.64 110.12 3fa4 n GLU 15 Ca -0.02 0.06 -0.38 0.00 -0.02 0.00 0.00 57.16 56.80 3fa4 n GLU 15 Cb 0.60 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.40 3fa4 n GLU 15 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3fa4 s ASN 16 N -2.66 5.52 0.25 1.62 3.84 -0.88 -5.00 114.94 117.64 3fa4 s ASN 16 Ca 0.21 -0.41 0.19 0.00 0.21 0.00 0.00 52.86 53.05 3fa4 s ASN 16 Cb 0.16 -2.00 0.95 0.00 -0.55 0.00 0.00 41.25 39.81 3fa4 s ASN 16 CO 0.38 -0.15 1.57 -2.65 -2.79 0.00 0.00 177.10 173.46 3fa4 n PRO 17 N 4.98 0.12 0.17 0.43 -0.02 -1.26 -2.64 135.00 136.78 3fa4 n PRO 17 Ca -0.14 0.56 0.10 0.00 -2.02 0.00 0.00 63.50 62.00 3fa4 n PRO 17 Cb 0.50 -1.86 0.09 0.00 -0.02 0.00 0.00 33.50 32.21 3fa4 n PRO 17 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3fa4 h ASP 18 N 0.00 0.00 -3.48 2.55 3.32 -1.94 -3.47 116.42 113.40 3fa4 h ASP 18 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3fa4 h ASP 18 Cb 0.08 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3fa4 h ASP 18 CO 0.00 0.07 0.33 -0.44 -1.72 0.00 0.00 179.24 177.49 3fa4 s SER 19 N -5.96 7.40 -0.06 6.45 0.01 -1.08 -5.05 113.70 115.41 3fa4 s SER 19 Ca 0.04 1.68 0.03 0.00 1.31 0.00 0.00 55.95 59.01 3fa4 s SER 19 Cb 0.07 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.74 3fa4 s SER 19 CO 0.72 -0.14 -0.14 0.12 0.41 0.00 0.00 173.24 174.21 3fa4 s PHE 20 N 0.45 1.55 -0.23 2.43 5.36 -1.26 -4.90 117.98 121.37 3fa4 s PHE 20 Ca 0.48 -0.54 -0.09 0.00 -0.96 0.00 0.00 56.93 55.82 3fa4 s PHE 20 Cb -0.22 -1.10 -0.04 0.00 -0.34 0.00 0.00 43.02 41.32 3fa4 s PHE 20 CO 0.28 -0.25 0.11 0.42 -1.46 0.00 0.00 175.22 174.31 3fa4 s ILE 21 N 0.48 4.89 -0.20 3.12 1.01 -0.71 -5.02 121.20 124.78 3fa4 s ILE 21 Ca -0.12 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.56 3fa4 s ILE 21 Cb -0.15 -3.26 0.04 0.00 0.01 0.00 0.00 42.46 39.10 3fa4 s ILE 21 CO 0.04 0.37 -0.14 -0.69 0.00 0.00 0.00 174.94 174.51 3fa4 s VAL 22 N 1.05 1.91 -0.29 2.92 1.01 -1.26 -0.63 120.40 125.12 3fa4 s VAL 22 Ca 0.05 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 3fa4 s VAL 22 Cb -0.14 -1.88 0.09 0.00 0.00 0.00 0.00 36.38 34.46 3fa4 s VAL 22 CO 0.04 0.29 0.10 0.00 0.00 0.00 0.00 175.10 175.52 3fa4 s ALA 23 N 1.30 1.21 0.52 5.51 0.00 -0.26 -4.08 121.76 125.96 3fa4 s ALA 23 Ca -0.00 -1.36 -0.21 0.00 0.00 0.00 0.00 51.96 50.39 3fa4 s ALA 23 Cb -0.16 -1.49 -0.06 0.00 0.00 0.00 0.00 23.12 21.42 3fa4 s ALA 23 CO -0.09 -1.58 1.18 -1.25 0.00 0.00 0.00 175.76 174.02 3fa4 s PRO 24 N 1.78 3.41 -0.16 0.00 0.04 -1.26 -2.54 135.00 136.28 3fa4 s PRO 24 Ca 0.08 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 3fa4 s PRO 24 Cb -0.17 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 3fa4 s PRO 24 CO -0.26 -0.84 1.12 0.20 0.04 0.00 0.00 177.00 177.27 3fa4 s GLY 25 N -1.49 1.87 0.31 0.56 0.00 0.23 -1.24 107.32 107.56 3fa4 s GLY 25 Ca 0.70 0.37 0.10 0.00 0.00 0.00 0.00 44.72 45.89 3fa4 s GLY 25 CO 0.33 2.23 -0.13 -1.34 0.00 0.00 0.00 173.10 174.19 3fa4 s VAL 26 N 2.91 2.25 0.00 1.40 -7.23 0.56 -3.60 120.40 116.70 3fa4 s VAL 26 Ca 0.50 -2.27 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 3fa4 s VAL 26 Cb -0.19 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.28 3fa4 s VAL 26 CO 0.13 -0.31 0.03 0.00 -0.31 0.00 0.00 175.10 174.64 3fa4 n TYR 27 N -0.69 0.00 -3.90 2.82 4.11 -1.26 -1.71 117.16 116.53 3fa4 n TYR 27 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.83 3fa4 n TYR 27 Cb 0.62 0.01 0.01 0.00 -0.00 0.00 0.00 39.34 39.99 3fa4 n TYR 27 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.86 177.02 3fa4 s ASP 28 N 0.00 -0.00 0.16 9.48 -4.77 -1.26 -4.41 116.67 115.87 3fa4 s ASP 28 Ca 0.00 -0.53 -0.15 0.00 -3.30 0.00 0.00 52.55 48.57 3fa4 s ASP 28 Cb 0.00 0.40 0.05 0.00 -1.09 0.00 0.00 42.92 42.28 3fa4 s ASP 28 CO 0.00 -0.79 1.82 1.23 0.70 0.00 0.00 175.17 178.13 3fa4 h GLY 29 N 2.00 0.64 0.87 2.12 0.00 -1.96 -2.33 103.07 104.41 3fa4 h GLY 29 Ca -0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3fa4 h GLY 29 CO 0.34 0.21 0.04 1.41 0.00 0.00 0.00 176.54 178.54 3fa4 h LEU 30 N 0.59 0.14 -0.59 3.11 3.38 -1.99 -1.09 115.31 118.87 3fa4 h LEU 30 Ca 0.17 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3fa4 h LEU 30 Cb -0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3fa4 h LEU 30 CO -0.05 0.26 0.09 0.77 0.09 0.00 0.00 178.44 179.60 3fa4 h SER 31 N 0.00 0.94 -0.48 -0.43 4.64 -1.97 -1.21 113.55 115.04 3fa4 h SER 31 Ca 0.03 -0.26 0.04 0.00 -0.47 0.00 0.00 61.79 61.13 3fa4 h SER 31 Cb 0.17 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.97 3fa4 h SER 31 CO -0.00 0.96 0.24 0.00 -0.87 0.00 0.00 176.83 177.16 3fa4 h ALA 32 N 1.01 0.61 -0.14 5.18 0.00 -1.35 -1.27 119.26 123.31 3fa4 h ALA 32 Ca 0.18 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3fa4 h ALA 32 Cb 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3fa4 h ALA 32 CO 0.01 -0.11 0.04 0.00 0.00 0.00 0.00 179.25 179.19 3fa4 h ARG 33 N 0.48 0.22 -0.29 0.00 2.47 -1.05 -1.62 114.38 114.59 3fa4 h ARG 33 Ca 0.21 -0.05 0.05 0.00 -1.26 0.00 0.00 59.98 58.93 3fa4 h ARG 33 Cb 0.12 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.36 3fa4 h ARG 33 CO -0.15 0.37 -0.04 0.28 0.56 0.00 0.00 179.97 180.99 3fa4 h VAL 34 N 0.03 0.75 -0.49 2.04 2.07 -1.17 -1.55 116.25 117.92 3fa4 h VAL 34 Ca 0.04 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3fa4 h VAL 34 Cb 0.25 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3fa4 h VAL 34 CO 0.00 0.01 0.21 0.00 0.02 0.00 0.00 177.57 177.81 3fa4 h ALA 35 N 1.27 0.64 -0.97 1.67 0.00 -1.22 -2.51 119.26 118.13 3fa4 h ALA 35 Ca 0.14 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3fa4 h ALA 35 Cb 0.20 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3fa4 h ALA 35 CO -0.27 0.23 0.64 -0.07 0.00 0.00 0.00 179.25 179.78 3fa4 h LEU 36 N 0.65 1.11 -1.78 0.00 4.07 -1.19 -2.69 115.31 115.48 3fa4 h LEU 36 Ca 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 3fa4 h LEU 36 Cb 0.17 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.63 3fa4 h LEU 36 CO -0.02 0.79 -0.04 0.28 -1.08 0.00 0.00 178.44 178.38 3fa4 h SER 37 N 1.30 0.00 0.74 -0.43 0.02 -0.95 -1.73 113.55 112.51 3fa4 h SER 37 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3fa4 h SER 37 Cb -0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3fa4 h SER 37 CO -0.09 0.04 -0.72 0.00 -1.14 0.00 0.00 176.83 174.91 3fa4 n ALA 38 N -2.12 3.06 0.00 3.77 0.00 -0.98 -4.95 120.51 119.29 3fa4 n ALA 38 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3fa4 n ALA 38 Cb 0.26 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.35 1.26 3.74 0.00 0.00 -0.65 -5.07 105.19 105.82 3fa4 n GLY 39 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3fa4 n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa4 s PHE 40 N -2.00 3.23 -1.27 1.61 0.40 -1.14 -4.96 117.98 113.86 3fa4 s PHE 40 Ca 0.00 1.22 0.13 0.00 -0.60 0.00 0.00 56.93 57.68 3fa4 s PHE 40 Cb 0.00 -3.62 0.52 0.00 0.51 0.00 0.00 43.02 40.43 3fa4 s PHE 40 CO 0.00 -1.93 1.38 -0.25 0.70 0.00 0.00 175.22 175.13 3fa4 n ASP 41 N 2.54 3.54 -3.57 1.36 8.00 -1.26 -4.73 116.55 122.43 3fa4 n ASP 41 Ca 0.06 -2.31 -0.12 0.00 0.71 0.00 0.00 54.79 53.12 3fa4 n ASP 41 Cb 0.43 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.75 -1.89 0.19 2.24 0.00 -1.26 -4.12 121.76 115.17 3fa4 s ALA 42 Ca 0.37 1.55 0.05 0.00 0.00 0.00 0.00 51.96 53.92 3fa4 s ALA 42 Cb 0.24 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 3fa4 s ALA 42 CO 0.18 -0.32 -0.09 -0.51 0.00 0.00 0.00 175.76 175.02 3fa4 s LEU 43 N -1.01 2.46 -0.13 0.00 1.43 -0.47 -3.98 118.68 116.98 3fa4 s LEU 43 Ca -0.04 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 51.99 3fa4 s LEU 43 Cb -0.01 -0.42 0.02 0.00 0.03 0.00 0.00 46.19 45.82 3fa4 s LEU 43 CO 0.03 -0.34 -0.12 -0.47 0.23 0.00 0.00 176.35 175.68 3fa4 s TYR 44 N -3.25 1.92 -0.45 0.29 5.04 -0.37 -0.84 117.35 119.68 3fa4 s TYR 44 Ca 0.21 -1.02 -0.26 0.00 -2.44 0.00 0.00 57.07 53.56 3fa4 s TYR 44 Cb 0.03 -1.45 0.03 0.00 0.35 0.00 0.00 41.96 40.91 3fa4 s TYR 44 CO 0.04 -0.59 0.96 1.41 -1.34 0.00 0.00 175.55 176.04 3fa4 s MET 45 N 1.46 3.61 0.19 4.97 -2.45 0.59 -0.32 119.30 127.35 3fa4 s MET 45 Ca 0.03 0.29 -0.29 0.00 -1.25 0.00 0.00 55.69 54.46 3fa4 s MET 45 Cb -0.13 -3.91 -0.08 0.00 1.25 0.00 0.00 34.83 31.96 3fa4 s MET 45 CO -0.08 -1.22 0.92 -0.08 1.05 0.00 0.00 175.02 175.61 3fa4 s THR 46 N 3.85 4.23 -0.08 10.11 -1.32 -0.70 -1.48 115.64 130.26 3fa4 s THR 46 Ca 0.39 2.02 0.13 0.00 -1.21 0.00 0.00 61.69 63.02 3fa4 s THR 46 Cb -0.10 -4.30 -0.03 0.00 -1.51 0.00 0.00 72.50 66.56 3fa4 s THR 46 CO 0.26 0.45 1.33 1.23 -2.21 0.00 0.00 174.62 175.69 3fa4 h GLY 47 N 4.57 0.00 1.13 6.08 0.00 -1.91 -2.40 103.07 110.54 3fa4 h GLY 47 Ca -0.45 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 3fa4 h GLY 47 CO 0.69 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 177.06 3fa4 h ALA 48 N 1.35 0.74 -0.12 3.60 0.00 -1.97 -1.74 119.26 121.12 3fa4 h ALA 48 Ca -0.03 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3fa4 h ALA 48 Cb 1.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3fa4 h ALA 48 CO 0.08 0.67 -0.39 0.78 0.00 0.00 0.00 179.25 180.39 3fa4 h GLY 49 N 0.91 0.28 0.65 0.00 0.00 -1.90 -1.23 103.07 101.77 3fa4 h GLY 49 Ca 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 3fa4 h GLY 49 CO 0.06 0.23 -0.01 -0.84 0.00 0.00 0.00 176.54 175.98 3fa4 h THR 50 N 0.22 1.31 -0.48 4.70 2.02 -1.24 0.14 112.91 119.57 3fa4 h THR 50 Ca 0.02 -0.94 0.08 0.00 0.77 0.00 0.00 66.41 66.34 3fa4 h THR 50 Cb 0.79 1.86 -0.06 0.00 -1.74 0.00 0.00 68.15 69.00 3fa4 h THR 50 CO 0.06 0.25 0.11 0.00 0.37 0.00 0.00 175.52 176.32 3fa4 h ALA 51 N 0.63 0.55 -0.31 6.16 0.00 -1.32 0.58 119.26 125.55 3fa4 h ALA 51 Ca 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3fa4 h ALA 51 Cb 0.41 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3fa4 h ALA 51 CO 0.00 -0.29 0.13 0.00 0.00 0.00 0.00 179.25 179.10 3fa4 h ALA 52 N 1.36 0.40 0.14 0.00 0.00 -1.07 -2.22 119.26 117.86 3fa4 h ALA 52 Ca 0.24 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 3fa4 h ALA 52 Cb 0.30 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.99 3fa4 h ALA 52 CO -0.29 -0.02 -0.91 1.03 0.00 0.00 0.00 179.25 179.06 3fa4 h SER 53 N 0.35 0.56 0.32 0.00 0.87 -0.51 -0.84 113.55 114.31 3fa4 h SER 53 Ca 0.10 -0.91 -0.25 0.00 -1.23 0.00 0.00 61.79 59.50 3fa4 h SER 53 Cb 0.16 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3fa4 h SER 53 CO -0.01 1.43 -1.03 0.58 -0.53 0.00 0.00 176.83 177.27 3fa4 h VAL 54 N -0.22 1.39 0.00 2.23 2.07 0.03 -3.37 116.25 118.38 3fa4 h VAL 54 Ca -0.15 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 64.84 3fa4 h VAL 54 Cb 1.69 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.99 3fa4 h VAL 54 CO 0.17 0.75 0.00 1.41 0.02 0.00 0.00 177.57 179.93 3fa4 n HIS 55 N -3.73 0.00 -3.72 1.57 8.25 -1.00 -5.00 115.22 111.59 3fa4 n HIS 55 Ca -0.08 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.13 3fa4 n HIS 55 Cb 0.89 0.00 0.05 0.00 1.12 0.00 0.00 29.99 32.04 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 0.65 -0.42 3.40 -1.41 0.00 -0.32 -4.99 105.19 102.11 3fa4 n GLY 56 Ca 0.00 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -6.19 1.48 0.79 1.61 -1.52 -0.87 -4.97 119.66 109.99 3fa4 s GLN 57 Ca 0.35 -1.73 -0.11 0.00 -1.95 0.00 0.00 55.36 51.91 3fa4 s GLN 57 Cb -0.17 -1.09 0.06 0.00 -0.22 0.00 0.00 33.01 31.60 3fa4 s GLN 57 CO 0.79 0.05 1.09 0.00 -0.25 0.00 0.00 175.29 176.97 3fa4 s ALA 58 N -3.05 2.26 -1.38 6.09 0.00 -1.26 -2.86 121.76 121.56 3fa4 s ALA 58 Ca 0.28 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.97 3fa4 s ALA 58 Cb 0.03 -3.14 0.06 0.00 0.00 0.00 0.00 23.12 20.07 3fa4 s ALA 58 CO 0.10 -1.70 1.98 -3.47 0.00 0.00 0.00 175.76 172.68 3fa4 n ASP 59 N -3.42 4.41 -0.74 0.00 4.64 -1.26 -4.62 116.55 115.56 3fa4 n ASP 59 Ca 0.07 -2.88 0.07 0.00 -1.38 0.00 0.00 54.79 50.67 3fa4 n ASP 59 Cb 0.55 -1.70 0.20 0.00 -1.04 0.00 0.00 41.12 39.13 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 7.25 3.34 -0.58 -2.67 4.77 -1.26 -4.93 117.00 122.91 3fa4 n LEU 60 Ca 0.50 -2.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.03 3fa4 n LEU 60 Cb 0.43 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3fa4 n LEU 60 CO 0.83 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 178.21 3fa4 n GLY 61 N 0.04 0.73 0.11 -0.72 0.00 -1.26 -5.01 105.19 99.09 3fa4 n GLY 61 Ca 0.16 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.80 3fa4 n GLY 61 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3fa4 n ILE 62 N -1.47 0.00 -2.88 -0.61 -6.64 -1.26 -4.89 119.36 101.61 3fa4 n ILE 62 Ca 0.00 -0.09 -0.41 0.00 -1.77 0.00 0.00 62.75 60.48 3fa4 n ILE 62 Cb 0.40 1.06 -0.04 0.00 -1.44 0.00 0.00 39.64 39.62 3fa4 n ILE 62 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3fa4 s THR 64 N 0.86 2.01 0.15 0.00 -4.23 -1.26 -4.95 115.64 108.22 3fa4 s THR 64 Ca 0.45 -0.03 -0.18 0.00 -1.18 0.00 0.00 61.69 60.74 3fa4 s THR 64 Cb -0.19 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.69 3fa4 s THR 64 CO 0.23 0.00 1.70 0.25 -0.54 0.00 0.00 174.62 176.26 3fa4 h LEU 65 N -1.54 -0.20 -0.31 4.79 5.85 -1.98 -2.87 115.31 119.06 3fa4 h LEU 65 Ca -0.44 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.41 3fa4 h LEU 65 Cb 1.24 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.34 3fa4 h LEU 65 CO 0.41 -0.06 -0.46 0.78 -0.34 0.00 0.00 178.44 178.76 3fa4 h ASN 66 N 0.04 -1.52 -0.40 1.25 4.21 -1.98 0.50 115.58 117.68 3fa4 h ASN 66 Ca 0.14 0.21 0.08 0.00 1.21 0.00 0.00 56.30 57.95 3fa4 h ASN 66 Cb 0.21 0.64 -0.08 0.00 -1.12 0.00 0.00 38.32 37.96 3fa4 h ASN 66 CO -0.27 -0.40 -0.14 0.44 -1.29 0.00 0.00 177.43 175.76 3fa4 h ASP 67 N -0.41 -0.50 -0.04 5.81 3.32 -1.92 -1.49 116.42 121.19 3fa4 h ASP 67 Ca 0.10 0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 3fa4 h ASP 67 Cb 0.61 0.30 0.00 0.00 0.22 0.00 0.00 39.33 40.46 3fa4 h ASP 67 CO -0.52 -0.18 -0.27 0.24 -1.72 0.00 0.00 179.24 176.79 3fa4 h MET 68 N -0.06 0.26 -0.72 3.56 2.86 -1.25 -2.02 114.93 117.56 3fa4 h MET 68 Ca 0.20 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3fa4 h MET 68 Cb 0.35 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3fa4 h MET 68 CO -0.44 0.88 0.39 -0.09 1.06 0.00 0.00 176.91 178.70 3fa4 h ARG 69 N -0.30 1.00 -0.43 1.72 1.12 -0.96 -1.28 114.38 115.26 3fa4 h ARG 69 Ca -0.02 -0.11 -0.07 0.00 -1.11 0.00 0.00 59.98 58.67 3fa4 h ARG 69 Cb 0.94 -0.20 -0.02 0.00 -0.01 0.00 0.00 29.97 30.68 3fa4 h ARG 69 CO 0.05 0.74 -0.02 0.00 -3.11 0.00 0.00 179.97 177.64 3fa4 h ALA 70 N 1.42 1.16 0.01 2.80 0.00 -1.07 -1.20 119.26 122.38 3fa4 h ALA 70 Ca 0.26 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3fa4 h ALA 70 Cb 0.04 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.66 3fa4 h ALA 70 CO -0.04 0.54 -0.64 -0.97 0.00 0.00 0.00 179.25 178.14 3fa4 h ASN 71 N 0.66 0.56 -0.43 0.00 -1.24 -1.24 -2.18 115.58 111.71 3fa4 h ASN 71 Ca 0.13 -0.77 -0.04 0.00 0.71 0.00 0.00 56.30 56.33 3fa4 h ASN 71 Cb 0.44 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 3fa4 h ASN 71 CO 0.02 1.25 0.10 0.00 -1.29 0.00 0.00 177.43 177.51 3fa4 h ALA 72 N 0.31 0.56 -0.93 1.57 0.00 -1.18 -1.63 119.26 117.96 3fa4 h ALA 72 Ca -0.08 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.69 3fa4 h ALA 72 Cb 1.36 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 3fa4 h ALA 72 CO 0.13 0.24 0.59 1.49 0.00 0.00 0.00 179.25 181.70 3fa4 h GLU 73 N 0.55 1.07 -0.29 0.00 4.81 -1.27 0.45 114.58 119.90 3fa4 h GLU 73 Ca 0.13 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3fa4 h GLU 73 Cb 0.32 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3fa4 h GLU 73 CO 0.00 0.71 0.11 1.98 -0.73 0.00 0.00 179.01 181.08 3fa4 h MET 74 N 1.11 0.45 -0.41 1.92 4.05 -1.20 -2.84 114.93 118.00 3fa4 h MET 74 Ca 0.39 -0.09 -0.10 0.00 -0.28 0.00 0.00 59.70 59.63 3fa4 h MET 74 Cb 0.11 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 3fa4 h MET 74 CO -0.15 0.48 -0.13 0.82 0.23 0.00 0.00 176.91 178.15 3fa4 h ILE 75 N 0.32 1.28 -0.28 1.77 2.04 -1.08 -2.77 117.51 118.79 3fa4 h ILE 75 Ca 0.10 -1.24 0.08 0.00 1.00 0.00 0.00 64.86 64.79 3fa4 h ILE 75 Cb 0.21 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3fa4 h ILE 75 CO -0.01 0.42 0.24 0.28 0.00 0.00 0.00 178.15 179.08 3fa4 h SER 76 N 0.62 0.00 -0.16 1.72 0.02 -0.98 -3.11 113.55 111.66 3fa4 h SER 76 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3fa4 h SER 76 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3fa4 h SER 76 CO 0.05 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.33 3fa4 n ASN 77 N -4.09 2.67 0.08 3.07 3.02 -1.06 -3.40 115.26 115.55 3fa4 n ASN 77 Ca 0.04 -1.78 -0.12 0.00 -0.03 0.00 0.00 54.58 52.69 3fa4 n ASN 77 Cb 0.39 -0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.41 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 3.20 0.60 -2.91 2.41 2.04 -1.43 -3.38 117.51 118.03 3fa4 h ILE 78 Ca 0.00 0.00 -0.60 0.00 1.00 0.00 0.00 64.86 65.26 3fa4 h ILE 78 Cb 0.74 0.60 -0.40 0.00 -0.74 0.00 0.00 36.82 37.02 3fa4 h ILE 78 CO 0.00 0.00 -0.77 -0.55 0.00 0.00 0.00 178.15 176.83 3fa4 s SER 79 N -4.95 3.54 0.36 1.72 0.15 -1.26 -5.04 113.70 108.22 3fa4 s SER 79 Ca -0.15 -2.35 0.23 0.00 0.70 0.00 0.00 55.95 54.39 3fa4 s SER 79 Cb 0.08 -0.84 1.27 0.00 -1.71 0.00 0.00 66.02 64.82 3fa4 s SER 79 CO 0.66 -0.30 1.71 -0.65 1.20 0.00 0.00 173.24 175.85 3fa4 h PRO 80 N 7.03 0.00 -0.01 5.44 0.11 -1.75 -2.14 132.00 140.68 3fa4 h PRO 80 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3fa4 h PRO 80 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3fa4 h PRO 80 CO 0.43 0.00 -0.44 -1.13 -0.21 0.00 0.00 178.00 176.64 3fa4 n SER 81 N -2.33 1.81 -4.63 -2.05 3.41 -1.26 -3.70 113.62 104.86 3fa4 n SER 81 Ca -0.02 -1.38 -0.40 0.00 -0.26 0.00 0.00 58.87 56.82 3fa4 n SER 81 Cb 0.07 0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 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 -2.49 5.06 0.18 6.66 2.01 -0.81 -4.84 115.64 121.41 3fa4 s THR 82 Ca 0.19 0.94 -0.33 0.00 0.31 0.00 0.00 61.69 62.81 3fa4 s THR 82 Cb 0.18 -3.85 -0.13 0.00 0.01 0.00 0.00 72.50 68.72 3fa4 s THR 82 CO 0.57 0.10 1.66 -2.65 -0.69 0.00 0.00 174.62 173.61 3fa4 n PRO 83 N 5.40 2.47 -4.06 4.92 -0.02 -1.26 -4.85 135.00 137.61 3fa4 n PRO 83 Ca -0.04 0.89 -0.35 0.00 -2.02 0.00 0.00 63.50 61.99 3fa4 n PRO 83 Cb 0.50 -2.71 -0.13 0.00 -0.02 0.00 0.00 33.50 31.14 3fa4 n PRO 83 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fa4 s VAL 84 N 1.18 3.90 -0.27 -1.45 1.01 -1.26 -1.37 120.40 122.13 3fa4 s VAL 84 Ca 0.77 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 62.30 3fa4 s VAL 84 Cb -0.59 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 3fa4 s VAL 84 CO 0.35 0.43 0.26 -0.63 0.00 0.00 0.00 175.10 175.50 3fa4 s ILE 85 N 1.06 5.26 -0.08 2.22 1.01 -0.02 -1.59 121.20 129.07 3fa4 s ILE 85 Ca 0.02 0.32 0.02 0.00 0.00 0.00 0.00 60.65 61.01 3fa4 s ILE 85 Cb -0.14 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 3fa4 s ILE 85 CO 0.01 0.22 -0.12 0.00 0.00 0.00 0.00 174.94 175.06 3fa4 s ALA 86 N 1.81 2.72 0.51 9.38 0.00 -0.46 -0.30 121.76 135.42 3fa4 s ALA 86 Ca 0.10 -0.93 -0.23 0.00 0.00 0.00 0.00 51.96 50.90 3fa4 s ALA 86 Cb -0.16 -1.10 -0.06 0.00 0.00 0.00 0.00 23.12 21.80 3fa4 s ALA 86 CO 0.10 0.47 1.38 -3.47 0.00 0.00 0.00 175.76 174.24 3fa4 n ASP 87 N 2.64 2.90 -0.36 0.00 2.03 -0.55 -2.22 116.55 120.99 3fa4 n ASP 87 Ca -0.18 1.03 0.01 0.00 0.52 0.00 0.00 54.79 56.17 3fa4 n ASP 87 Cb 0.52 -1.58 0.01 0.00 -0.72 0.00 0.00 41.12 39.35 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 -0.73 1.83 -0.38 -1.67 0.00 -0.96 -4.78 120.51 113.82 3fa4 n ALA 88 Ca 0.09 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.50 3fa4 n ALA 88 Cb 0.43 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.12 0.00 -0.70 0.00 8.00 -1.24 -0.79 116.55 121.70 3fa4 n ASP 89 Ca 0.01 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.57 3fa4 n ASP 89 Cb 0.65 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.92 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 1.24 -0.85 -3.53 -2.24 -1.26 -1.66 114.28 105.99 3fa4 n THR 90 Ca 0.00 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.62 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 0.34 0.63 2.30 3.38 0.00 0.03 -4.44 105.19 107.43 3fa4 n GLY 91 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.71 -0.09 -0.31 1.61 4.02 -1.26 -3.24 117.16 115.18 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 -2.17 0.00 0.00 -0.02 0.00 0.00 39.34 37.15 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 -1.51 0.18 2.40 2.72 0.00 -1.26 -4.85 105.19 102.86 3fa4 n GLY 93 Ca -0.11 -1.26 -0.20 0.00 0.00 0.00 0.00 46.02 44.44 3fa4 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa4 n GLY 94 N 0.00 -2.57 0.41 -0.02 0.00 -1.26 -4.50 105.19 97.25 3fa4 n GLY 94 Ca 0.00 -1.50 0.25 0.00 0.00 0.00 0.00 46.02 44.77 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 0.33 -0.84 1.61 0.11 -1.96 -0.13 132.00 131.12 3fa4 h PRO 95 Ca -0.28 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 3fa4 h PRO 95 Cb 0.85 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.84 3fa4 h PRO 95 CO 0.18 0.22 0.48 0.82 -0.21 0.00 0.00 178.00 179.50 3fa4 h ILE 96 N 0.34 1.24 -0.06 4.15 1.08 -1.97 -1.45 117.51 120.84 3fa4 h ILE 96 Ca 0.63 -0.56 -0.23 0.00 -0.39 0.00 0.00 64.86 64.31 3fa4 h ILE 96 Cb 1.67 0.09 0.01 0.00 -3.07 0.00 0.00 36.82 35.52 3fa4 h ILE 96 CO -0.32 0.26 -0.90 0.24 -0.69 0.00 0.00 178.15 176.74 3fa4 h MET 97 N 1.16 0.62 -0.72 2.37 2.86 -1.40 -2.75 114.93 117.07 3fa4 h MET 97 Ca 0.30 -0.59 0.10 0.00 -2.06 0.00 0.00 59.70 57.44 3fa4 h MET 97 Cb -0.01 0.15 -0.07 0.00 0.06 0.00 0.00 31.60 31.73 3fa4 h MET 97 CO -0.05 1.20 0.36 0.28 1.06 0.00 0.00 176.91 179.76 3fa4 h VAL 98 N 0.39 0.84 -0.04 -2.22 2.07 -0.85 -1.98 116.25 114.46 3fa4 h VAL 98 Ca -0.08 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3fa4 h VAL 98 Cb 1.53 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3fa4 h VAL 98 CO 0.17 0.11 0.01 0.00 0.02 0.00 0.00 177.57 177.88 3fa4 h ALA 99 N 1.44 0.05 -0.68 1.67 0.00 -1.28 -0.63 119.26 119.83 3fa4 h ALA 99 Ca 0.36 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.24 3fa4 h ALA 99 Cb 0.38 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3fa4 h ALA 99 CO -0.27 -0.33 0.33 0.00 0.00 0.00 0.00 179.25 178.97 3fa4 h ARG 100 N -0.16 0.55 -0.58 0.00 3.08 -1.46 -0.10 114.38 115.71 3fa4 h ARG 100 Ca 0.01 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3fa4 h ARG 100 Cb 0.23 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3fa4 h ARG 100 CO 0.00 0.37 0.13 1.15 -1.07 0.00 0.00 179.97 180.55 3fa4 h THR 101 N 0.57 1.25 -0.26 2.04 2.02 -1.10 -2.29 112.91 115.15 3fa4 h THR 101 Ca 0.34 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 3fa4 h THR 101 Cb 0.35 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3fa4 h THR 101 CO -0.27 0.33 0.08 0.74 0.37 0.00 0.00 175.52 176.78 3fa4 h THR 102 N 0.83 1.19 -0.02 3.16 2.02 -0.66 -0.31 112.91 119.13 3fa4 h THR 102 Ca 0.18 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 3fa4 h THR 102 Cb 0.35 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3fa4 h THR 102 CO 0.00 0.20 0.00 -0.33 0.37 0.00 0.00 175.52 175.77 3fa4 h GLU 103 N 0.26 0.03 -0.07 6.66 5.08 -1.02 -1.32 114.58 124.20 3fa4 h GLU 103 Ca 0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3fa4 h GLU 103 Cb 0.23 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3fa4 h GLU 103 CO -0.00 0.28 0.05 1.96 -1.00 0.00 0.00 179.01 180.30 3fa4 h GLN 104 N -0.23 0.10 -0.70 2.33 4.20 -1.43 -0.31 115.11 119.06 3fa4 h GLN 104 Ca 0.01 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.79 3fa4 h GLN 104 Cb 0.27 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.96 3fa4 h GLN 104 CO 0.00 0.08 0.37 1.88 -0.67 0.00 0.00 178.83 180.49 3fa4 h TYR 105 N 0.08 0.66 0.80 2.96 -1.99 -1.08 -1.73 116.97 116.67 3fa4 h TYR 105 Ca 0.03 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.74 3fa4 h TYR 105 Cb 0.01 -0.19 0.01 0.00 2.00 0.00 0.00 36.73 38.56 3fa4 h TYR 105 CO -0.07 0.27 -0.38 0.77 -0.00 0.00 0.00 178.16 178.75 3fa4 h SER 106 N 0.64 -0.91 -1.03 3.88 0.02 -1.10 -1.92 113.55 113.14 3fa4 h SER 106 Ca 0.34 0.02 0.26 0.00 -0.84 0.00 0.00 61.79 61.57 3fa4 h SER 106 Cb 0.31 0.24 -0.11 0.00 0.14 0.00 0.00 62.40 62.97 3fa4 h SER 106 CO -0.24 -0.63 0.63 0.03 -1.14 0.00 0.00 176.83 175.48 3fa4 h ARG 107 N -1.11 0.48 0.00 3.45 3.08 -1.07 -1.50 114.38 117.71 3fa4 h ARG 107 Ca -0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3fa4 h ARG 107 Cb 0.83 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3fa4 h ARG 107 CO 0.18 0.32 0.00 0.77 -1.07 0.00 0.00 179.97 180.17 3fa4 h SER 108 N 0.49 0.00 0.00 7.04 0.02 -1.18 -3.47 113.55 116.45 3fa4 h SER 108 Ca 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.58 3fa4 h SER 108 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 3fa4 h SER 108 CO -0.41 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 175.89 3fa4 n GLY 109 N -0.32 0.91 3.73 -3.77 0.00 -0.56 -4.64 105.19 100.54 3fa4 n GLY 109 Ca -0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 2.71 0.11 1.61 1.01 -0.75 -4.48 120.40 118.61 3fa4 s VAL 110 Ca 0.00 0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.52 3fa4 s VAL 110 Cb 0.00 -3.35 -0.23 0.00 0.00 0.00 0.00 36.38 32.80 3fa4 s VAL 110 CO 0.00 0.06 1.23 0.00 0.00 0.00 0.00 175.10 176.39 3fa4 h ALA 111 N 6.09 0.25 -2.61 5.51 0.00 -1.59 -3.41 119.26 123.50 3fa4 h ALA 111 Ca -0.44 -0.85 -0.05 0.00 0.00 0.00 0.00 54.91 53.56 3fa4 h ALA 111 Cb 1.21 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.80 3fa4 h ALA 111 CO 0.85 1.03 0.03 0.00 0.00 0.00 0.00 179.25 181.17 3fa4 s ALA 112 N -2.80 -1.28 -0.03 0.00 0.00 -1.10 -1.45 121.76 115.10 3fa4 s ALA 112 Ca -0.03 0.46 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 3fa4 s ALA 112 Cb 0.08 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.71 3fa4 s ALA 112 CO 0.86 -0.56 0.14 -0.59 0.00 0.00 0.00 175.76 175.61 3fa4 s PHE 113 N -2.85 -0.07 0.09 0.00 -0.12 -0.95 -1.35 117.98 112.73 3fa4 s PHE 113 Ca -0.03 0.15 -0.04 0.00 -0.05 0.00 0.00 56.93 56.95 3fa4 s PHE 113 Cb -0.00 0.00 -0.05 0.00 -0.63 0.00 0.00 43.02 42.34 3fa4 s PHE 113 CO -0.05 -0.18 0.31 -3.38 -0.05 0.00 0.00 175.22 171.88 3fa4 s HIS 114 N -0.61 3.52 -0.07 3.49 -3.43 -0.94 -1.98 115.29 115.26 3fa4 s HIS 114 Ca -0.07 0.51 0.02 0.00 -0.80 0.00 0.00 55.06 54.72 3fa4 s HIS 114 Cb -0.04 -1.96 0.01 0.00 -1.43 0.00 0.00 32.58 29.16 3fa4 s HIS 114 CO 0.01 0.52 -0.14 0.42 -2.00 0.00 0.00 174.74 173.54 3fa4 s ILE 115 N -1.52 1.30 0.46 -5.38 1.01 -0.80 -2.27 121.20 114.00 3fa4 s ILE 115 Ca 0.36 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.50 3fa4 s ILE 115 Cb -0.13 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 3fa4 s ILE 115 CO 0.23 0.39 0.25 -1.83 0.00 0.00 0.00 174.94 173.98 3fa4 s GLU 116 N 0.65 2.27 -0.05 2.79 -1.05 -0.66 -1.66 118.70 120.98 3fa4 s GLU 116 Ca -0.15 -1.91 0.20 0.00 -0.15 0.00 0.00 54.97 52.96 3fa4 s GLU 116 Cb -0.16 -2.02 0.66 0.00 -0.44 0.00 0.00 34.13 32.16 3fa4 s GLU 116 CO 0.04 -0.30 1.55 -0.40 0.95 0.00 0.00 175.26 177.11 3fa4 n ASP 117 N -1.43 4.14 -4.83 0.83 5.75 -1.22 -4.72 116.55 115.07 3fa4 n ASP 117 Ca -0.02 -2.19 -0.30 0.00 -0.01 0.00 0.00 54.79 52.27 3fa4 n ASP 117 Cb 0.64 -0.52 0.08 0.00 -1.03 0.00 0.00 41.12 40.30 3fa4 n ASP 117 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3fa4 s GLN 118 N -1.40 2.32 0.46 0.11 -0.21 -1.26 -0.19 119.66 119.48 3fa4 s GLN 118 Ca 0.48 0.56 -0.21 0.00 0.02 0.00 0.00 55.36 56.21 3fa4 s GLN 118 Cb 0.28 -1.95 -0.09 0.00 1.00 0.00 0.00 33.01 32.25 3fa4 s GLN 118 CO 0.28 -1.44 1.02 0.08 -2.12 0.00 0.00 175.29 173.11 3fa4 s VAL 119 N -3.24 3.90 0.15 1.09 1.01 -0.57 -4.51 120.40 118.23 3fa4 s VAL 119 Ca 0.60 1.24 -0.18 0.00 0.00 0.00 0.00 61.98 63.64 3fa4 s VAL 119 Cb -0.13 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.76 3fa4 s VAL 119 CO 0.53 -0.20 1.69 -0.61 0.00 0.00 0.00 175.10 176.51 3fa4 h GLN 120 N 1.84 0.03 0.00 2.72 4.15 -1.96 -3.43 115.11 118.46 3fa4 h GLN 120 Ca -0.49 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.93 3fa4 h GLN 120 Cb 1.21 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.89 3fa4 h GLN 120 CO 0.60 0.02 0.00 0.25 -1.93 0.00 0.00 178.83 177.77 3fa4 n THR 121 N -5.23 0.00 -2.12 2.39 -2.24 -1.26 -4.95 114.28 100.87 3fa4 n THR 121 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3fa4 n THR 121 Cb 0.18 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 3fa4 n THR 121 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3fa4 n LYS 122 N 0.00 0.00 -2.55 -0.78 5.02 -1.26 -4.93 118.16 113.66 3fa4 n LYS 122 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 3fa4 n LYS 122 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 3fa4 n LYS 122 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3fa4 s LYS 130 N 0.00 3.66 -0.19 1.97 1.02 -1.26 -5.23 119.74 119.71 3fa4 s LYS 130 Ca 0.00 0.57 -0.09 0.00 0.02 0.00 0.00 55.97 56.47 3fa4 s LYS 130 Cb 0.00 -3.95 -0.05 0.00 -0.52 0.00 0.00 37.83 33.32 3fa4 s LYS 130 CO 0.00 -1.47 0.10 0.42 -0.92 0.00 0.00 175.35 173.48 3fa4 s ILE 131 N 4.73 5.13 0.15 2.17 -1.09 -1.26 -4.98 121.20 126.04 3fa4 s ILE 131 Ca 0.49 0.09 0.07 0.00 -2.23 0.00 0.00 60.65 59.07 3fa4 s ILE 131 Cb -0.08 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.43 3fa4 s ILE 131 CO 0.31 0.45 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.71 3fa4 s LEU 132 N 0.33 3.34 0.01 2.97 1.43 -1.26 -1.51 118.68 123.98 3fa4 s LEU 132 Ca 0.06 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 3fa4 s LEU 132 Cb -0.12 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 3fa4 s LEU 132 CO -0.01 0.12 0.19 0.54 0.23 0.00 0.00 176.35 177.42 3fa4 s VAL 133 N -1.58 5.41 0.95 -1.59 0.11 0.74 -4.72 120.40 119.71 3fa4 s VAL 133 Ca 0.26 -0.23 -0.13 0.00 -2.93 0.00 0.00 61.98 58.96 3fa4 s VAL 133 Cb -0.10 -3.56 0.04 0.00 -1.53 0.00 0.00 36.38 31.24 3fa4 s VAL 133 CO 0.18 0.27 0.44 -0.90 -3.33 0.00 0.00 175.10 171.76 3fa4 n ASP 134 N 0.76 -1.97 -0.11 3.54 5.75 -1.26 -4.69 116.55 118.57 3fa4 n ASP 134 Ca -0.09 0.33 -0.05 0.00 -0.01 0.00 0.00 54.79 54.96 3fa4 n ASP 134 Cb 0.52 -1.22 0.14 0.00 -1.03 0.00 0.00 41.12 39.53 3fa4 n ASP 134 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3fa4 h THR 135 N -1.59 1.25 0.15 2.12 2.02 -1.98 -2.42 112.91 112.46 3fa4 h THR 135 Ca -0.44 -1.09 0.02 0.00 0.77 0.00 0.00 66.41 65.67 3fa4 h THR 135 Cb 1.28 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 3fa4 h THR 135 CO 0.35 0.38 -0.31 0.44 0.37 0.00 0.00 175.52 176.75 3fa4 h ASP 136 N 0.74 -0.87 -0.81 4.18 5.19 -1.99 -0.69 116.42 122.17 3fa4 h ASP 136 Ca 0.14 0.10 0.06 0.00 -0.62 0.00 0.00 57.03 56.71 3fa4 h ASP 136 Cb 0.52 0.32 -0.05 0.00 0.18 0.00 0.00 39.33 40.30 3fa4 h ASP 136 CO 0.03 -0.40 0.53 0.74 -3.12 0.00 0.00 179.24 177.02 3fa4 h THR 137 N -0.55 1.04 -0.35 0.35 2.02 -1.89 -0.95 112.91 112.58 3fa4 h THR 137 Ca 0.02 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3fa4 h THR 137 Cb 0.56 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3fa4 h THR 137 CO -0.16 0.16 0.17 0.22 0.37 0.00 0.00 175.52 176.28 3fa4 h TYR 138 N 0.88 0.51 0.00 3.16 3.20 -0.94 -2.97 116.97 120.81 3fa4 h TYR 138 Ca 0.35 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 3fa4 h TYR 138 Cb 0.23 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3fa4 h TYR 138 CO -0.00 0.44 -0.39 0.28 -1.64 0.00 0.00 178.16 176.85 3fa4 h VAL 139 N 0.43 1.15 -0.37 1.81 2.07 -0.85 -1.85 116.25 118.64 3fa4 h VAL 139 Ca 0.12 -1.40 0.04 0.00 0.82 0.00 0.00 66.70 66.28 3fa4 h VAL 139 Cb 0.12 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3fa4 h VAL 139 CO -0.01 0.38 0.25 0.74 0.02 0.00 0.00 177.57 178.95 3fa4 h THR 140 N 0.00 1.01 0.16 2.57 2.02 -1.02 0.31 112.91 117.96 3fa4 h THR 140 Ca -0.00 -0.12 -0.24 0.00 0.77 0.00 0.00 66.41 66.82 3fa4 h THR 140 Cb 0.75 0.62 0.03 0.00 -1.74 0.00 0.00 68.15 67.80 3fa4 h THR 140 CO 0.05 0.07 -1.03 0.03 0.37 0.00 0.00 175.52 175.01 3fa4 h ARG 141 N 0.36 0.40 -0.13 6.66 3.08 -1.28 -2.91 114.38 120.55 3fa4 h ARG 141 Ca 0.15 -0.66 0.05 0.00 0.07 0.00 0.00 59.98 59.60 3fa4 h ARG 141 Cb 0.17 0.24 -0.06 0.00 0.08 0.00 0.00 29.97 30.40 3fa4 h ARG 141 CO -0.03 1.30 -0.26 0.82 -1.07 0.00 0.00 179.97 180.73 3fa4 h ILE 142 N -0.15 0.39 -0.39 2.04 1.08 -1.14 -2.51 117.51 116.82 3fa4 h ILE 142 Ca -0.17 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.31 3fa4 h ILE 142 Cb 1.80 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.91 3fa4 h ILE 142 CO 0.19 0.00 0.23 -0.09 -0.69 0.00 0.00 178.15 177.80 3fa4 h ARG 143 N -0.33 0.46 -0.38 2.37 2.43 -1.03 -1.97 114.38 115.93 3fa4 h ARG 143 Ca 0.10 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3fa4 h ARG 143 Cb 0.48 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3fa4 h ARG 143 CO -0.32 0.30 0.18 0.00 -1.51 0.00 0.00 179.97 178.63 3fa4 h ALA 144 N 1.17 1.61 0.21 2.80 0.00 -1.44 0.87 119.26 124.48 3fa4 h ALA 144 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3fa4 h ALA 144 Cb -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3fa4 h ALA 144 CO -0.06 0.32 -0.10 0.00 0.00 0.00 0.00 179.25 179.40 3fa4 h ALA 145 N 1.68 -0.28 -0.66 0.00 0.00 -1.18 -1.32 119.26 117.49 3fa4 h ALA 145 Ca 0.13 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3fa4 h ALA 145 Cb 0.06 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3fa4 h ALA 145 CO -0.02 -0.39 0.35 0.28 0.00 0.00 0.00 179.25 179.47 3fa4 h VAL 146 N -0.81 0.94 -0.03 0.00 2.07 -1.20 -1.82 116.25 115.40 3fa4 h VAL 146 Ca -0.03 -0.22 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 3fa4 h VAL 146 Cb 0.51 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3fa4 h VAL 146 CO 0.05 0.12 -0.67 1.56 0.02 0.00 0.00 177.57 178.64 3fa4 h GLN 147 N 0.65 0.15 -0.08 1.57 4.20 -0.90 -2.15 115.11 118.56 3fa4 h GLN 147 Ca 0.30 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 3fa4 h GLN 147 Cb 0.21 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3fa4 h GLN 147 CO -0.20 0.77 0.02 0.00 -0.67 0.00 0.00 178.83 178.75 3fa4 h ALA 148 N 1.20 0.10 -0.18 3.87 0.00 -0.88 -0.75 119.26 122.62 3fa4 h ALA 148 Ca -0.01 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 3fa4 h ALA 148 Cb 1.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3fa4 h ALA 148 CO 0.10 -0.29 -0.50 0.07 0.00 0.00 0.00 179.25 178.63 3fa4 h ARG 149 N -0.07 0.48 -0.73 0.00 0.11 -1.37 -2.73 114.38 110.07 3fa4 h ARG 149 Ca 0.02 -0.28 0.09 0.00 0.10 0.00 0.00 59.98 59.91 3fa4 h ARG 149 Cb 0.21 0.02 -0.07 0.00 1.11 0.00 0.00 29.97 31.25 3fa4 h ARG 149 CO -0.00 0.87 0.39 1.96 0.10 0.00 0.00 179.97 183.28 3fa4 h GLN 150 N 0.38 0.65 -0.81 0.08 4.20 -1.30 0.10 115.11 118.41 3fa4 h GLN 150 Ca 0.02 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.75 3fa4 h GLN 150 Cb 1.01 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.59 3fa4 h GLN 150 CO 0.09 0.43 0.49 0.00 -0.67 0.00 0.00 178.83 179.17 3fa4 h ARG 151 N 0.67 0.88 -0.62 1.46 3.08 -0.82 -3.11 114.38 115.92 3fa4 h ARG 151 Ca 0.35 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3fa4 h ARG 151 Cb 0.32 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3fa4 h ARG 151 CO -0.24 0.58 0.00 0.44 -1.07 0.00 0.00 179.97 179.68 3fa4 n ILE 152 N -4.65 0.82 -2.29 2.04 -5.35 -1.11 -4.94 119.36 103.88 3fa4 n ILE 152 Ca 0.11 -0.89 -0.12 0.00 -0.27 0.00 0.00 62.75 61.58 3fa4 n ILE 152 Cb 0.17 0.61 -0.00 0.00 -1.74 0.00 0.00 39.64 38.68 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 1.60 -0.10 3.81 3.28 0.00 -0.71 -5.00 105.19 108.07 3fa4 n GLY 153 Ca 0.23 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.52 6.44 0.00 1.61 0.15 0.27 -4.97 113.70 114.68 3fa4 s SER 154 Ca 0.03 0.52 0.15 0.00 0.70 0.00 0.00 55.95 57.34 3fa4 s SER 154 Cb -0.01 -2.13 0.45 0.00 -1.71 0.00 0.00 66.02 62.61 3fa4 s SER 154 CO 0.03 0.28 1.36 0.47 1.20 0.00 0.00 173.24 176.57 3fa4 n ASP 155 N 2.63 2.10 -4.57 5.45 8.00 -1.26 -4.46 116.55 124.44 3fa4 n ASP 155 Ca -0.16 -1.94 -0.45 0.00 0.71 0.00 0.00 54.79 52.95 3fa4 n ASP 155 Cb 0.53 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 41.38 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 0.63 1.84 -2.96 0.53 3.06 -1.26 -4.51 119.36 116.70 3fa4 n ILE 156 Ca 0.14 -0.46 -0.42 0.00 -2.50 0.00 0.00 62.75 59.52 3fa4 n ILE 156 Cb 0.35 -0.88 -0.05 0.00 0.54 0.00 0.00 39.64 39.60 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 -0.93 4.80 -0.38 9.51 1.01 -0.53 -4.98 120.40 128.91 3fa4 s VAL 157 Ca 0.61 1.16 -0.23 0.00 0.00 0.00 0.00 61.98 63.51 3fa4 s VAL 157 Cb -0.74 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 31.51 3fa4 s VAL 157 CO 0.58 -0.25 0.79 -0.69 0.00 0.00 0.00 175.10 175.54 3fa4 s VAL 158 N 2.94 4.70 -0.20 2.92 1.01 -1.26 -2.23 120.40 128.28 3fa4 s VAL 158 Ca 0.32 0.81 -0.12 0.00 0.00 0.00 0.00 61.98 62.98 3fa4 s VAL 158 Cb -0.14 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 3fa4 s VAL 158 CO 0.13 -0.50 0.24 -0.63 0.00 0.00 0.00 175.10 174.34 3fa4 s ILE 159 N 3.17 5.32 -0.41 2.22 1.01 -0.84 0.28 121.20 131.95 3fa4 s ILE 159 Ca 0.31 0.40 -0.17 0.00 0.00 0.00 0.00 60.65 61.19 3fa4 s ILE 159 Cb -0.13 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.78 3fa4 s ILE 159 CO 0.18 0.36 0.42 0.00 0.00 0.00 0.00 174.94 175.90 3fa4 s ALA 160 N 0.81 3.44 -0.05 9.38 0.00 0.49 -1.91 121.76 133.92 3fa4 s ALA 160 Ca 0.13 -1.47 -0.03 0.00 0.00 0.00 0.00 51.96 50.58 3fa4 s ALA 160 Cb -0.13 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 3fa4 s ALA 160 CO 0.04 -1.49 0.13 0.50 0.00 0.00 0.00 175.76 174.93 3fa4 s ARG 161 N 2.09 3.31 -0.08 0.00 3.52 -0.67 -0.95 118.95 126.17 3fa4 s ARG 161 Ca 0.12 -0.31 0.02 0.00 -0.13 0.00 0.00 55.73 55.43 3fa4 s ARG 161 Cb -0.17 -3.04 0.02 0.00 -1.56 0.00 0.00 34.95 30.19 3fa4 s ARG 161 CO 0.13 0.70 -0.12 -0.08 -0.81 0.00 0.00 175.30 175.12 3fa4 s THR 162 N -1.16 1.21 -0.50 4.11 -1.32 -0.54 -3.38 115.64 114.05 3fa4 s THR 162 Ca 0.21 -0.49 0.15 0.00 -1.21 0.00 0.00 61.69 60.35 3fa4 s THR 162 Cb -0.12 -1.12 0.78 0.00 -1.51 0.00 0.00 72.50 70.53 3fa4 s THR 162 CO 0.11 0.38 1.70 0.47 -2.21 0.00 0.00 174.62 175.07 3fa4 n ASP 163 N 4.07 5.37 -0.02 8.08 8.00 -1.26 -2.53 116.55 138.26 3fa4 n ASP 163 Ca -0.20 -2.80 0.14 0.00 0.71 0.00 0.00 54.79 52.64 3fa4 n ASP 163 Cb 0.51 -0.65 0.52 0.00 -0.02 0.00 0.00 41.12 41.49 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 0.71 0.24 0.02 -2.24 3.41 -1.26 -4.58 113.62 109.91 3fa4 n SER 164 Ca 0.27 0.03 -0.02 0.00 -0.26 0.00 0.00 58.87 58.89 3fa4 n SER 164 Cb 1.09 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.85 3fa4 n SER 164 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fa4 h LEU 165 N 0.12 -0.18 -1.38 1.04 5.85 -1.83 0.31 115.31 119.25 3fa4 h LEU 165 Ca 0.00 0.02 0.20 0.00 0.84 0.00 0.00 57.88 58.93 3fa4 h LEU 165 Cb 0.46 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.48 3fa4 h LEU 165 CO 0.00 -0.07 0.60 0.06 -0.34 0.00 0.00 178.44 178.70 3fa4 h GLN 166 N -0.09 0.49 0.23 1.25 3.07 -1.90 0.33 115.11 118.49 3fa4 h GLN 166 Ca -0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 3fa4 h GLN 166 Cb 0.09 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 27.54 3fa4 h GLN 166 CO -0.03 0.33 -0.11 1.15 0.09 0.00 0.00 178.83 180.26 3fa4 h THR 167 N 0.51 0.00 -0.00 1.86 2.02 -1.74 -3.40 112.91 112.15 3fa4 h THR 167 Ca 0.49 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 67.21 3fa4 h THR 167 Cb 1.08 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3fa4 h THR 167 CO -0.22 0.00 -0.09 1.41 0.37 0.00 0.00 175.52 176.99 3fa4 n HIS 168 N -4.13 0.00 0.00 3.16 8.25 0.11 -5.12 115.22 117.49 3fa4 n HIS 168 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3fa4 n HIS 168 Cb 0.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 0.61 -1.39 0.30 -1.41 0.00 0.11 -4.42 105.19 99.00 3fa4 n GLY 169 Ca 0.02 -1.58 -0.07 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.73 0.00 1.61 3.20 -1.91 -2.56 116.97 116.59 3fa4 h TYR 170 Ca 0.00 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 3fa4 h TYR 170 Cb 0.00 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3fa4 h TYR 170 CO 0.00 -0.34 -0.21 0.93 -1.64 0.00 0.00 178.16 176.89 3fa4 h GLU 171 N -0.23 0.00 -0.07 1.82 5.08 -1.98 -1.18 114.58 118.02 3fa4 h GLU 171 Ca 0.16 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.30 3fa4 h GLU 171 Cb 0.49 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.75 3fa4 h GLU 171 CO -0.47 0.21 -0.85 1.49 -1.00 0.00 0.00 179.01 178.40 3fa4 h GLU 172 N 0.00 0.59 0.03 2.33 4.57 -1.68 -1.36 114.58 119.06 3fa4 h GLU 172 Ca -0.00 -0.54 -0.00 0.00 -1.18 0.00 0.00 59.36 57.63 3fa4 h GLU 172 Cb 0.42 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3fa4 h GLU 172 CO 0.03 1.16 -0.01 0.77 -1.18 0.00 0.00 179.01 179.78 3fa4 h SER 173 N 0.38 -0.03 -0.64 1.04 0.02 -0.99 -0.38 113.55 112.95 3fa4 h SER 173 Ca -0.07 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3fa4 h SER 173 Cb 1.47 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.99 3fa4 h SER 173 CO 0.16 -0.01 0.37 0.58 -1.14 0.00 0.00 176.83 176.79 3fa4 h VAL 174 N -0.05 1.20 -0.40 2.27 2.07 -1.26 -1.41 116.25 118.67 3fa4 h VAL 174 Ca -0.00 -0.47 0.08 0.00 0.82 0.00 0.00 66.70 67.13 3fa4 h VAL 174 Cb 0.04 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 30.08 3fa4 h VAL 174 CO 0.01 0.21 -0.15 0.00 0.02 0.00 0.00 177.57 177.66 3fa4 h ALA 175 N 1.18 0.19 -0.54 1.67 0.00 -0.80 -1.31 119.26 119.65 3fa4 h ALA 175 Ca 0.23 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 3fa4 h ALA 175 Cb 0.01 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3fa4 h ALA 175 CO -0.04 -0.50 -0.07 0.00 0.00 0.00 0.00 179.25 178.63 3fa4 h ARG 176 N -0.06 0.98 -0.08 0.00 3.08 -0.94 -1.01 114.38 116.35 3fa4 h ARG 176 Ca 0.20 -0.33 0.03 0.00 0.07 0.00 0.00 59.98 59.94 3fa4 h ARG 176 Cb 0.36 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 3fa4 h ARG 176 CO -0.44 1.00 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.29 3fa4 h LEU 177 N 0.88 -0.30 -0.83 3.04 3.38 -0.96 -2.11 115.31 118.41 3fa4 h LEU 177 Ca 0.15 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3fa4 h LEU 177 Cb 0.61 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 3fa4 h LEU 177 CO 0.04 -0.13 0.45 0.03 0.09 0.00 0.00 178.44 178.91 3fa4 h ARG 178 N -0.13 1.17 -0.82 1.13 3.08 -1.12 0.55 114.38 118.23 3fa4 h ARG 178 Ca 0.06 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 60.02 3fa4 h ARG 178 Cb 0.22 -0.23 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 3fa4 h ARG 178 CO -0.16 0.87 0.51 0.00 -1.07 0.00 0.00 179.97 180.12 3fa4 h ALA 179 N 1.24 1.11 0.00 0.04 0.00 -1.11 -0.99 119.26 119.54 3fa4 h ALA 179 Ca 0.29 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.02 3fa4 h ALA 179 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3fa4 h ALA 179 CO -0.05 0.28 -0.79 0.00 0.00 0.00 0.00 179.25 178.69 3fa4 h ALA 180 N 1.38 0.63 -0.43 0.00 0.00 -0.59 -2.68 119.26 117.57 3fa4 h ALA 180 Ca 0.35 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3fa4 h ALA 180 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3fa4 h ALA 180 CO -0.15 0.99 0.22 -0.09 0.00 0.00 0.00 179.25 180.22 3fa4 h ARG 181 N 0.00 0.61 0.00 0.00 2.43 -0.68 -1.89 114.38 114.85 3fa4 h ARG 181 Ca -0.01 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3fa4 h ARG 181 Cb 1.46 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 3fa4 h ARG 181 CO 0.10 0.51 0.00 -0.44 -1.51 0.00 0.00 179.97 178.63 3fa4 h ASP 182 N 0.56 0.00 -0.28 -3.80 5.19 -1.01 -2.75 116.42 114.32 3fa4 h ASP 182 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3fa4 h ASP 182 Cb 0.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.60 3fa4 h ASP 182 CO -0.02 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.10 3fa4 n ALA 183 N -1.96 2.40 0.00 3.45 0.00 -1.02 -4.97 120.51 118.41 3fa4 n ALA 183 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.51 3fa4 n ALA 183 Cb 0.12 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 1.17 1.00 3.65 0.00 0.00 -1.04 -4.49 105.19 105.48 3fa4 n GLY 184 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3fa4 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa4 n ALA 185 N -0.62 0.48 0.00 4.61 0.00 -0.74 -4.94 120.51 119.29 3fa4 n ALA 185 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3fa4 n ALA 185 Cb 0.00 -2.18 -0.12 0.00 0.00 0.00 0.00 19.45 17.15 3fa4 n ALA 185 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fa4 n ASP 186 N -1.20 0.30 -3.87 0.00 8.00 0.14 -4.68 116.55 115.25 3fa4 n ASP 186 Ca 0.15 0.13 -0.11 0.00 0.71 0.00 0.00 54.79 55.66 3fa4 n ASP 186 Cb 0.48 1.22 -0.12 0.00 -0.02 0.00 0.00 41.12 42.68 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 -3.20 0.04 0.03 2.53 1.01 -1.04 -4.24 120.40 115.52 3fa4 s VAL 187 Ca -0.06 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3fa4 s VAL 187 Cb 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 3fa4 s VAL 187 CO 0.86 -0.18 0.09 -0.83 0.00 0.00 0.00 175.10 175.03 3fa4 s GLY 188 N -0.58 2.03 -0.31 4.51 0.00 0.17 -0.38 107.32 112.75 3fa4 s GLY 188 Ca -0.07 -0.91 -0.03 0.00 0.00 0.00 0.00 44.72 43.72 3fa4 s GLY 188 CO 0.00 -0.83 0.17 -0.12 0.00 0.00 0.00 173.10 172.32 3fa4 s PHE 189 N -1.28 0.39 -0.58 1.90 5.99 -0.13 -1.70 117.98 122.58 3fa4 s PHE 189 Ca 0.26 -1.07 -0.22 0.00 0.00 0.00 0.00 56.93 55.90 3fa4 s PHE 189 Cb -0.12 -0.87 0.06 0.00 0.00 0.00 0.00 43.02 42.08 3fa4 s PHE 189 CO 0.17 -0.84 0.86 -1.17 -0.00 0.00 0.00 175.22 174.24 3fa4 s LEU 190 N 1.79 4.48 0.10 6.12 0.20 -1.26 -1.47 118.68 128.65 3fa4 s LEU 190 Ca 0.12 -0.75 -0.31 0.00 0.69 0.00 0.00 54.13 53.88 3fa4 s LEU 190 Cb -0.18 -2.58 -0.07 0.00 -0.43 0.00 0.00 46.19 42.93 3fa4 s LEU 190 CO -0.25 -1.21 1.29 -0.70 -0.29 0.00 0.00 176.35 175.19 3fa4 s GLU 191 N 3.59 4.39 -0.62 1.98 2.56 -1.05 -3.70 118.70 125.84 3fa4 s GLU 191 Ca 0.23 1.93 -0.03 0.00 0.00 0.00 0.00 54.97 57.10 3fa4 s GLU 191 Cb -0.16 -3.28 0.00 0.00 2.00 0.00 0.00 34.13 32.69 3fa4 s GLU 191 CO 0.14 -0.32 0.39 0.41 -0.56 0.00 0.00 175.26 175.32 3fa4 n GLY 192 N 3.19 0.24 3.58 -1.50 0.00 -1.26 -4.70 105.19 104.74 3fa4 n GLY 192 Ca 0.09 -0.33 -0.53 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.67 0.00 0.83 -0.61 5.41 -1.24 -4.72 119.36 115.36 3fa4 n ILE 193 Ca -0.02 -0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.85 3fa4 n ILE 193 Cb 0.54 -0.71 0.16 0.00 -0.71 0.00 0.00 39.64 38.92 3fa4 n ILE 193 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3fa4 n THR 194 N 2.39 0.10 -3.92 1.39 -2.24 -1.26 -3.28 114.28 107.45 3fa4 n THR 194 Ca 0.19 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 3fa4 n THR 194 Cb 0.18 0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 68.58 3fa4 n THR 194 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3fa4 s SER 195 N -3.42 -0.11 0.47 3.42 1.04 -1.26 -4.63 113.70 109.21 3fa4 s SER 195 Ca 0.08 -0.80 0.22 0.00 0.48 0.00 0.00 55.95 55.94 3fa4 s SER 195 Cb 0.16 0.56 1.18 0.00 0.10 0.00 0.00 66.02 68.02 3fa4 s SER 195 CO 0.74 -1.07 1.99 0.03 0.98 0.00 0.00 173.24 175.90 3fa4 h ARG 196 N 2.29 0.00 -0.21 4.02 3.08 -1.96 -2.53 114.38 119.08 3fa4 h ARG 196 Ca -0.28 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.67 3fa4 h ARG 196 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 3fa4 h ARG 196 CO 0.38 0.19 -0.28 1.49 -1.07 0.00 0.00 179.97 180.68 3fa4 h GLU 197 N 0.00 0.56 0.00 0.04 4.81 -1.99 -1.69 114.58 116.30 3fa4 h GLU 197 Ca -0.00 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 58.86 3fa4 h GLU 197 Cb 0.43 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3fa4 h GLU 197 CO 0.02 0.92 -0.23 1.98 -0.73 0.00 0.00 179.01 180.98 3fa4 h MET 198 N 0.24 0.00 -0.09 1.92 4.05 -1.91 -1.87 114.93 117.27 3fa4 h MET 198 Ca 0.02 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.22 3fa4 h MET 198 Cb 0.85 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.66 3fa4 h MET 198 CO 0.07 0.23 -0.85 0.00 0.23 0.00 0.00 176.91 176.58 3fa4 h ALA 199 N 1.77 0.33 -0.27 0.39 0.00 -1.25 -2.03 119.26 118.20 3fa4 h ALA 199 Ca -0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 3fa4 h ALA 199 Cb 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3fa4 h ALA 199 CO 0.03 0.72 0.04 0.00 0.00 0.00 0.00 179.25 180.04 3fa4 h ARG 200 N 0.42 0.45 -0.65 0.00 3.08 -1.18 -3.04 114.38 113.45 3fa4 h ARG 200 Ca -0.07 -0.12 0.09 0.00 0.07 0.00 0.00 59.98 59.95 3fa4 h ARG 200 Cb 1.48 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 31.40 3fa4 h ARG 200 CO 0.16 0.56 0.29 0.37 -1.07 0.00 0.00 179.97 180.28 3fa4 h GLN 201 N 0.26 0.48 -0.02 0.04 5.75 -1.34 -2.43 115.11 117.85 3fa4 h GLN 201 Ca 0.08 -0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 58.40 3fa4 h GLN 201 Cb 0.33 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 3fa4 h GLN 201 CO 0.01 0.32 -0.67 -0.24 -2.65 0.00 0.00 178.83 175.59 3fa4 h VAL 202 N 0.50 1.44 -0.37 2.39 3.04 -1.40 0.37 116.25 122.23 3fa4 h VAL 202 Ca 0.33 -2.21 0.01 0.00 -1.01 0.00 0.00 66.70 63.82 3fa4 h VAL 202 Cb 0.38 2.17 -0.02 0.00 -2.01 0.00 0.00 31.29 31.81 3fa4 h VAL 202 CO -0.29 0.64 0.23 0.40 -1.01 0.00 0.00 177.57 177.54 3fa4 h ILE 203 N 0.08 1.07 -0.31 3.17 2.04 -1.39 -1.73 117.51 120.44 3fa4 h ILE 203 Ca -0.01 -0.16 -0.15 0.00 1.00 0.00 0.00 64.86 65.54 3fa4 h ILE 203 Cb 1.19 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3fa4 h ILE 203 CO 0.10 0.09 -0.40 -0.61 0.00 0.00 0.00 178.15 177.32 3fa4 h GLN 204 N 0.47 0.76 -0.31 2.37 4.15 -0.85 -2.53 115.11 119.16 3fa4 h GLN 204 Ca 0.14 -0.40 -0.07 0.00 0.77 0.00 0.00 58.65 59.09 3fa4 h GLN 204 Cb -0.03 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3fa4 h GLN 204 CO -0.04 1.02 -0.12 -0.44 -1.93 0.00 0.00 178.83 177.32 3fa4 h ASP 205 N 0.62 0.52 -1.06 -0.69 3.32 -0.22 -2.96 116.42 115.94 3fa4 h ASP 205 Ca 0.05 -0.14 -0.61 0.00 0.02 0.00 0.00 57.03 56.36 3fa4 h ASP 205 Cb 0.96 -0.14 -0.38 0.00 0.22 0.00 0.00 39.33 39.98 3fa4 h ASP 205 CO 0.09 0.67 -0.26 0.18 -1.72 0.00 0.00 179.24 178.20 3fa4 n LEU 206 N -4.20 5.74 -4.64 1.55 4.77 -0.66 -5.06 117.00 114.50 3fa4 n LEU 206 Ca 0.01 -4.75 -0.46 0.00 -0.03 0.00 0.00 56.01 50.78 3fa4 n LEU 206 Cb 0.33 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 3fa4 n LEU 206 CO 0.41 1.96 0.91 0.00 -1.33 0.00 0.00 177.39 179.33 3fa4 n ALA 207 N -0.70 0.57 0.00 -1.18 0.00 -0.96 -2.03 120.51 116.22 3fa4 n ALA 207 Ca 0.48 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.34 3fa4 n ALA 207 Cb 0.78 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 1.98 2.06 3.67 0.00 0.00 -1.26 -5.02 105.19 106.62 3fa4 n GLY 208 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.50 3.30 0.31 1.61 -0.00 -0.86 -5.07 118.94 115.72 3fa4 s TRP 209 Ca 0.00 0.16 -0.29 0.00 -0.00 0.00 0.00 56.10 55.96 3fa4 s TRP 209 Cb 0.00 -2.06 -0.10 0.00 -0.00 0.00 0.00 33.47 31.31 3fa4 s TRP 209 CO 0.00 0.24 1.41 -2.14 -0.00 0.00 0.00 176.95 176.47 3fa4 s PRO 210 N 0.16 4.26 0.22 5.86 0.02 -1.26 -4.85 135.00 139.41 3fa4 s PRO 210 Ca 0.05 2.35 0.10 0.00 0.02 0.00 0.00 61.00 63.52 3fa4 s PRO 210 Cb -0.12 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 3fa4 s PRO 210 CO 0.00 -0.38 -0.18 -0.51 -0.33 0.00 0.00 177.00 175.60 3fa4 s LEU 211 N -1.23 2.53 -0.12 -5.54 1.43 -1.26 -0.66 118.68 113.83 3fa4 s LEU 211 Ca 0.55 -0.97 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3fa4 s LEU 211 Cb -0.42 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 44.89 3fa4 s LEU 211 CO 0.51 -0.03 -0.20 -0.22 0.23 0.00 0.00 176.35 176.64 3fa4 s LEU 212 N -3.16 1.96 -0.20 1.79 0.20 -0.69 -0.99 118.68 117.59 3fa4 s LEU 212 Ca 0.23 -0.53 -0.18 0.00 0.69 0.00 0.00 54.13 54.34 3fa4 s LEU 212 Cb -0.04 -1.30 -0.03 0.00 -0.43 0.00 0.00 46.19 44.38 3fa4 s LEU 212 CO 0.10 0.07 0.49 -0.22 -0.29 0.00 0.00 176.35 176.50 3fa4 s LEU 213 N 0.81 4.15 -0.57 -0.68 2.96 0.71 -4.44 118.68 121.63 3fa4 s LEU 213 Ca -0.09 0.64 -0.23 0.00 -0.22 0.00 0.00 54.13 54.24 3fa4 s LEU 213 Cb -0.16 -2.66 0.05 0.00 0.50 0.00 0.00 46.19 43.92 3fa4 s LEU 213 CO -0.00 -0.15 0.88 0.21 -1.32 0.00 0.00 176.35 175.96 3fa4 s ASN 214 N 1.12 6.27 -1.05 3.68 2.47 -1.26 -2.55 114.94 123.62 3fa4 s ASN 214 Ca 0.23 -0.65 -0.06 0.00 0.42 0.00 0.00 52.86 52.80 3fa4 s ASN 214 Cb -0.15 -2.40 0.27 0.00 -1.45 0.00 0.00 41.25 37.52 3fa4 s ASN 214 CO 0.09 -1.21 1.07 0.80 -3.72 0.00 0.00 177.10 174.13 3fa4 n MET 215 N 7.24 3.40 -3.25 0.43 0.00 -0.87 -4.83 117.12 119.24 3fa4 n MET 215 Ca -0.02 -4.48 -0.42 0.00 -0.00 0.00 0.00 57.70 52.78 3fa4 n MET 215 Cb 0.46 -2.50 -0.08 0.00 0.00 0.00 0.00 33.22 31.10 3fa4 n MET 215 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3fa4 s VAL 216 N -1.53 5.01 0.76 1.12 1.01 -1.26 -4.38 120.40 121.12 3fa4 s VAL 216 Ca 0.30 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.13 3fa4 s VAL 216 Cb -0.07 -4.05 0.06 0.00 0.00 0.00 0.00 36.38 32.32 3fa4 s VAL 216 CO -0.07 -0.39 1.14 -1.61 0.00 0.00 0.00 175.10 174.17 3fa4 s GLU 217 N 2.37 2.10 -0.59 2.72 2.02 -1.26 -3.95 118.70 122.11 3fa4 s GLU 217 Ca 0.16 1.48 -0.00 0.00 0.02 0.00 0.00 54.97 56.63 3fa4 s GLU 217 Cb -0.16 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.22 3fa4 s GLU 217 CO 0.15 -1.81 0.02 0.72 0.02 0.00 0.00 175.26 174.36 3fa4 n HIS 218 N -3.15 -0.36 0.00 1.61 8.25 -1.26 -5.00 115.22 115.30 3fa4 n HIS 218 Ca 0.11 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 3fa4 n HIS 218 Cb 0.52 -2.02 0.00 0.00 1.12 0.00 0.00 29.99 29.61 3fa4 n HIS 218 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa4 n GLY 219 N -1.01 5.34 0.20 -1.41 0.00 -1.25 -5.03 105.19 102.03 3fa4 n GLY 219 Ca -0.08 -1.25 0.05 0.00 0.00 0.00 0.00 46.02 44.74 3fa4 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa4 h ALA 220 N 1.00 1.18 -2.98 4.61 0.00 -1.87 -3.44 119.26 117.75 3fa4 h ALA 220 Ca 0.00 -0.31 -0.58 0.00 0.00 0.00 0.00 54.91 54.01 3fa4 h ALA 220 Cb 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.65 3fa4 h ALA 220 CO 0.00 0.43 -0.22 0.99 0.00 0.00 0.00 179.25 180.45 3fa4 s THR 221 N -3.92 5.23 1.13 0.00 2.01 -1.21 -4.28 115.64 114.61 3fa4 s THR 221 Ca -0.02 0.78 -0.12 0.00 0.31 0.00 0.00 61.69 62.64 3fa4 s THR 221 Cb 0.13 -3.74 0.26 0.00 0.01 0.00 0.00 72.50 69.16 3fa4 s THR 221 CO 0.69 0.36 1.02 -0.81 -0.69 0.00 0.00 174.62 175.19 3fa4 n PRO 222 N 3.57 -2.10 -2.97 4.92 -0.04 -1.26 -4.56 135.00 132.55 3fa4 n PRO 222 Ca -0.09 -0.58 -0.43 0.00 -0.04 0.00 0.00 63.50 62.36 3fa4 n PRO 222 Cb 0.52 -2.20 -0.05 0.00 -0.04 0.00 0.00 33.50 31.72 3fa4 n PRO 222 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3fa4 s SER 223 N -2.43 6.45 -0.20 3.54 0.01 -1.26 -4.99 113.70 114.82 3fa4 s SER 223 Ca 0.68 0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.99 3fa4 s SER 223 Cb -0.25 -2.38 0.03 0.00 0.21 0.00 0.00 66.02 63.63 3fa4 s SER 223 CO 0.64 -0.84 -0.17 -0.63 0.41 0.00 0.00 173.24 172.65 3fa4 s ILE 224 N 3.19 2.04 0.94 1.44 1.01 -1.26 -5.11 121.20 123.44 3fa4 s ILE 224 Ca 0.30 -1.09 -0.12 0.00 0.00 0.00 0.00 60.65 59.73 3fa4 s ILE 224 Cb -0.13 -1.93 0.15 0.00 0.01 0.00 0.00 42.46 40.57 3fa4 s ILE 224 CO 0.20 0.38 1.10 -0.94 0.00 0.00 0.00 174.94 175.68 3fa4 s SER 225 N 1.26 3.16 0.31 3.58 1.04 -1.26 -4.77 113.70 117.03 3fa4 s SER 225 Ca 0.01 1.23 0.06 0.00 0.48 0.00 0.00 55.95 57.74 3fa4 s SER 225 Cb -0.15 -1.89 0.53 0.00 0.10 0.00 0.00 66.02 64.60 3fa4 s SER 225 CO -0.11 -2.80 1.77 0.00 0.98 0.00 0.00 173.24 173.08 3fa4 h ALA 226 N -1.66 1.21 -0.37 5.32 0.00 -1.99 0.11 119.26 121.88 3fa4 h ALA 226 Ca -0.52 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 53.95 3fa4 h ALA 226 Cb 1.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3fa4 h ALA 226 CO 0.58 0.52 -0.18 0.00 0.00 0.00 0.00 179.25 180.16 3fa4 h ALA 227 N 1.43 0.52 0.05 0.00 0.00 -2.00 -2.07 119.26 117.18 3fa4 h ALA 227 Ca 0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3fa4 h ALA 227 Cb 0.65 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3fa4 h ALA 227 CO 0.05 0.46 -0.02 1.49 0.00 0.00 0.00 179.25 181.22 3fa4 h GLU 228 N 0.57 -0.06 -0.79 0.00 4.81 -1.88 -2.59 114.58 114.63 3fa4 h GLU 228 Ca 0.08 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.50 3fa4 h GLU 228 Cb 0.73 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 29.99 3fa4 h GLU 228 CO 0.05 0.24 0.09 0.00 -0.73 0.00 0.00 179.01 178.66 3fa4 h ALA 229 N 0.56 0.94 -0.62 2.92 0.00 -0.87 0.11 119.26 122.30 3fa4 h ALA 229 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3fa4 h ALA 229 Cb 0.33 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3fa4 h ALA 229 CO 0.01 -0.43 0.41 -0.22 0.00 0.00 0.00 179.25 179.02 3fa4 h LYS 230 N 0.15 0.82 -0.02 0.00 3.64 -1.23 -1.75 116.57 118.18 3fa4 h LYS 230 Ca 0.45 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.66 3fa4 h LYS 230 Cb 0.83 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3fa4 h LYS 230 CO -0.65 0.55 -0.57 0.93 -2.27 0.00 0.00 179.45 177.44 3fa4 h GLU 231 N 0.84 0.07 0.00 1.90 5.08 -1.20 -2.29 114.58 118.98 3fa4 h GLU 231 Ca 0.23 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 3fa4 h GLU 231 Cb -0.09 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3fa4 h GLU 231 CO -0.05 0.62 -0.22 0.52 -1.00 0.00 0.00 179.01 178.88 3fa4 h MET 232 N 0.05 0.00 0.00 2.33 2.86 -0.36 -3.47 114.93 116.34 3fa4 h MET 232 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fa4 h MET 232 Cb 1.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.68 3fa4 h MET 232 CO 0.08 0.22 0.00 0.41 1.06 0.00 0.00 176.91 178.68 3fa4 n GLY 233 N -0.69 1.49 3.81 8.32 0.00 -0.79 -4.93 105.19 112.41 3fa4 n GLY 233 Ca -0.02 0.00 -0.31 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 -2.00 3.07 -0.05 1.61 0.40 -0.73 -4.78 117.98 115.50 3fa4 s PHE 234 Ca 0.00 1.44 0.14 0.00 -0.60 0.00 0.00 56.93 57.91 3fa4 s PHE 234 Cb 0.00 -2.90 -0.21 0.00 0.51 0.00 0.00 43.02 40.42 3fa4 s PHE 234 CO 0.00 -1.25 0.32 0.54 0.70 0.00 0.00 175.22 175.52 3fa4 n ARG 235 N -3.03 0.54 -3.81 0.44 5.12 -0.17 -4.53 116.66 111.22 3fa4 n ARG 235 Ca 0.08 -0.12 -0.13 0.00 -1.93 0.00 0.00 57.85 55.75 3fa4 n ARG 235 Cb 0.53 -1.31 -0.13 0.00 -1.16 0.00 0.00 32.46 30.38 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 -2.91 -0.02 -0.02 0.55 1.01 -1.01 -1.73 121.20 117.06 3fa4 s ILE 236 Ca -0.04 0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.73 3fa4 s ILE 236 Cb 0.09 -0.18 -0.02 0.00 0.01 0.00 0.00 42.46 42.36 3fa4 s ILE 236 CO 0.57 0.02 -0.23 -0.51 0.00 0.00 0.00 174.94 174.79 3fa4 s ILE 237 N 0.39 1.81 0.10 2.92 2.07 0.20 -0.20 121.20 128.49 3fa4 s ILE 237 Ca -0.03 -0.97 0.08 0.00 -1.41 0.00 0.00 60.65 58.32 3fa4 s ILE 237 Cb -0.04 -1.51 -0.03 0.00 0.13 0.00 0.00 42.46 41.01 3fa4 s ILE 237 CO -0.02 0.51 -0.19 0.27 -1.91 0.00 0.00 174.94 173.60 3fa4 s ILE 238 N -0.46 1.59 -0.44 2.00 -4.36 -1.06 -1.10 121.20 117.37 3fa4 s ILE 238 Ca 0.07 -1.52 0.03 0.00 -0.26 0.00 0.00 60.65 58.97 3fa4 s ILE 238 Cb -0.10 -1.47 0.16 0.00 1.25 0.00 0.00 42.46 42.30 3fa4 s ILE 238 CO -0.00 -0.12 0.33 -0.36 0.24 0.00 0.00 174.94 175.03 3fa4 s PHE 239 N -1.26 1.42 0.60 1.37 0.40 -1.05 -2.05 117.98 117.41 3fa4 s PHE 239 Ca 0.05 -2.34 0.31 0.00 -0.60 0.00 0.00 56.93 54.35 3fa4 s PHE 239 Cb -0.10 -1.23 1.84 0.00 0.51 0.00 0.00 43.02 44.05 3fa4 s PHE 239 CO 0.04 -0.79 2.21 -1.35 0.70 0.00 0.00 175.22 176.03 3fa4 h PRO 240 N 5.94 0.00 -0.71 0.24 0.11 -1.87 0.87 132.00 136.58 3fa4 h PRO 240 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3fa4 h PRO 240 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3fa4 h PRO 240 CO 0.41 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.39 3fa4 n PHE 241 N -3.70 1.22 0.15 0.65 3.01 -1.26 -4.55 117.46 112.97 3fa4 n PHE 241 Ca -0.01 -0.54 0.12 0.00 1.01 0.00 0.00 57.45 58.03 3fa4 n PHE 241 Cb 0.17 -0.11 0.65 0.00 -0.01 0.00 0.00 39.48 40.18 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 4.28 2.17 0.00 4.37 0.00 -1.55 -2.73 119.26 125.79 3fa4 h ALA 242 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 3fa4 h ALA 242 Cb 1.20 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3fa4 h ALA 242 CO 0.10 -0.23 -1.99 0.00 0.00 0.00 0.00 179.25 177.14 3fa4 n ALA 243 N -2.57 1.63 0.01 0.00 0.00 -1.24 -4.54 120.51 113.79 3fa4 n ALA 243 Ca 0.02 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.56 3fa4 n ALA 243 Cb 0.28 0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.71 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 0.00 0.03 0.39 0.00 3.38 -1.80 -0.79 115.31 116.52 3fa4 h LEU 244 Ca -0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.31 3fa4 h LEU 244 Cb 1.65 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 3fa4 h LEU 244 CO -0.04 0.28 -0.29 1.23 0.09 0.00 0.00 178.44 179.70 3fa4 h GLY 245 N -0.22 -0.96 -0.64 0.83 0.00 -1.76 -0.77 103.07 99.55 3fa4 h GLY 245 Ca 0.01 0.41 0.20 0.00 0.00 0.00 0.00 47.33 47.94 3fa4 h GLY 245 CO 0.00 -0.32 -0.07 -2.55 0.00 0.00 0.00 176.54 173.60 3fa4 h PRO 246 N -0.66 0.04 -0.74 4.80 0.11 -1.80 -2.26 132.00 131.50 3fa4 h PRO 246 Ca -0.05 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.00 3fa4 h PRO 246 Cb 0.54 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.61 3fa4 h PRO 246 CO 0.02 0.03 0.24 0.00 -0.21 0.00 0.00 178.00 178.07 3fa4 h ALA 247 N 1.83 0.97 -0.16 -0.75 0.00 -0.74 -1.34 119.26 119.07 3fa4 h ALA 247 Ca 0.46 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3fa4 h ALA 247 Cb 0.81 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3fa4 h ALA 247 CO -0.81 0.65 -0.18 0.28 0.00 0.00 0.00 179.25 179.19 3fa4 h VAL 248 N 1.09 1.34 -0.37 0.00 2.07 -0.80 -1.75 116.25 117.84 3fa4 h VAL 248 Ca 0.24 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.44 3fa4 h VAL 248 Cb 0.30 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 3fa4 h VAL 248 CO -0.01 0.40 0.18 0.00 0.02 0.00 0.00 177.57 178.16 3fa4 h ALA 249 N 0.61 0.45 -0.20 1.67 0.00 -1.31 -1.18 119.26 119.32 3fa4 h ALA 249 Ca 0.02 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3fa4 h ALA 249 Cb 0.72 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3fa4 h ALA 249 CO 0.04 -0.20 -0.41 0.00 0.00 0.00 0.00 179.25 178.68 3fa4 h ALA 250 N 1.20 0.92 -0.14 0.00 0.00 -1.22 -1.97 119.26 118.06 3fa4 h ALA 250 Ca 0.16 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 3fa4 h ALA 250 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3fa4 h ALA 250 CO -0.12 0.63 -0.42 0.52 0.00 0.00 0.00 179.25 179.86 3fa4 h MET 251 N 0.38 0.33 -0.02 0.00 2.86 -1.12 0.44 114.93 117.79 3fa4 h MET 251 Ca 0.03 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3fa4 h MET 251 Cb 0.89 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 3fa4 h MET 251 CO 0.07 0.69 -0.03 0.00 1.06 0.00 0.00 176.91 178.71 3fa4 h ARG 252 N 0.27 0.06 0.00 1.72 3.08 -1.02 -0.97 114.38 117.52 3fa4 h ARG 252 Ca 0.02 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3fa4 h ARG 252 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3fa4 h ARG 252 CO 0.07 0.56 -0.37 1.05 -1.07 0.00 0.00 179.97 180.21 3fa4 h GLU 253 N -0.45 0.00 -0.68 0.04 4.11 -1.34 -2.28 114.58 113.98 3fa4 h GLU 253 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.38 3fa4 h GLU 253 Cb 0.56 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3fa4 h GLU 253 CO 0.01 0.37 0.20 0.00 0.07 0.00 0.00 179.01 179.66 3fa4 h ALA 254 N 1.63 0.89 -0.32 1.06 0.00 -0.94 -2.57 119.26 119.01 3fa4 h ALA 254 Ca -0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3fa4 h ALA 254 Cb 0.75 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3fa4 h ALA 254 CO 0.05 0.57 -0.02 0.52 0.00 0.00 0.00 179.25 180.37 3fa4 h MET 255 N 0.99 0.58 -0.40 0.00 2.86 -0.81 -1.96 114.93 116.18 3fa4 h MET 255 Ca 0.22 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 3fa4 h MET 255 Cb 0.31 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 3fa4 h MET 255 CO -0.00 0.73 0.08 0.93 1.06 0.00 0.00 176.91 179.71 3fa4 h GLU 256 N 0.37 0.59 -0.33 1.72 5.08 -1.50 -1.89 114.58 118.61 3fa4 h GLU 256 Ca 0.09 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3fa4 h GLU 256 Cb 0.48 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3fa4 h GLU 256 CO 0.02 0.56 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.29 3fa4 h LYS 257 N 0.58 0.63 -0.81 2.33 3.64 -1.29 -1.83 116.57 119.82 3fa4 h LYS 257 Ca 0.13 -0.24 0.10 0.00 -1.27 0.00 0.00 60.65 59.37 3fa4 h LYS 257 Cb 0.24 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.95 3fa4 h LYS 257 CO -0.00 0.80 0.46 1.25 -2.27 0.00 0.00 179.45 179.69 3fa4 h LEU 258 N 0.42 0.65 -0.83 5.20 5.85 -1.27 0.29 115.31 125.60 3fa4 h LEU 258 Ca 0.08 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 3fa4 h LEU 258 Cb 0.56 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3fa4 h LEU 258 CO 0.03 0.36 -0.33 0.50 -0.34 0.00 0.00 178.44 178.66 3fa4 h LYS 259 N 0.76 0.48 0.32 1.25 1.63 -1.23 0.28 116.57 120.07 3fa4 h LYS 259 Ca 0.40 -0.21 -0.02 0.00 -0.85 0.00 0.00 60.65 59.97 3fa4 h LYS 259 Cb 0.38 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 3fa4 h LYS 259 CO -0.26 0.75 -0.15 0.00 -3.45 0.00 0.00 179.45 176.35 3fa4 h ARG 260 N 0.41 -0.41 0.00 1.90 3.08 -1.06 -3.40 114.38 114.90 3fa4 h ARG 260 Ca 0.05 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3fa4 h ARG 260 Cb 0.78 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 3fa4 h ARG 260 CO 0.06 -0.15 -0.85 -0.44 -1.07 0.00 0.00 179.97 177.52 3fa4 h ASP 261 N -1.04 0.00 0.00 7.04 3.32 -0.45 -3.48 116.42 121.81 3fa4 h ASP 261 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3fa4 h ASP 261 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3fa4 h ASP 261 CO 0.07 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.30 3fa4 n GLY 262 N 1.20 0.50 3.61 2.75 0.00 1.00 -4.98 105.19 109.26 3fa4 n GLY 262 Ca -0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 3fa4 n GLY 262 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fa4 s ILE 263 N -2.00 0.00 0.39 -0.61 2.07 -1.25 -5.05 121.20 114.76 3fa4 s ILE 263 Ca 0.00 0.00 0.23 0.00 -1.41 0.00 0.00 60.65 59.47 3fa4 s ILE 263 Cb 0.00 -1.00 0.24 0.00 0.13 0.00 0.00 42.46 41.83 3fa4 s ILE 263 CO 0.00 0.00 2.00 -0.65 -1.91 0.00 0.00 174.94 174.38 3fa4 h PRO 264 N 4.16 0.00 -5.83 3.50 0.11 -1.92 -3.38 132.00 128.64 3fa4 h PRO 264 Ca -0.27 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.45 3fa4 h PRO 264 Cb 1.16 0.00 0.14 0.00 0.11 0.00 0.00 31.00 32.41 3fa4 h PRO 264 CO 0.15 0.18 -0.71 0.41 -0.21 0.00 0.00 178.00 177.82 3fa4 n GLY 265 N -0.65 -0.49 3.78 -0.55 0.00 -1.26 -4.71 105.19 101.31 3fa4 n GLY 265 Ca -0.02 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -7.03 3.20 0.59 0.99 1.43 -1.26 -5.01 118.68 111.59 3fa4 s LEU 266 Ca 0.41 1.86 -0.18 0.00 -1.03 0.00 0.00 54.13 55.20 3fa4 s LEU 266 Cb -0.19 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.47 3fa4 s LEU 266 CO 0.74 -1.76 1.15 -0.62 0.23 0.00 0.00 176.35 176.09 3fa4 s ASP 267 N -3.11 5.37 0.00 2.29 2.15 -1.26 -4.84 116.67 117.28 3fa4 s ASP 267 Ca 0.63 2.20 0.03 0.00 0.43 0.00 0.00 52.55 55.84 3fa4 s ASP 267 Cb -0.18 -2.58 0.16 0.00 -0.30 0.00 0.00 42.92 40.03 3fa4 s ASP 267 CO 0.49 -1.46 0.88 2.29 -0.17 0.00 0.00 175.17 177.21 3fa4 n LYS 268 N -1.69 0.05 0.06 4.34 -0.00 -1.26 -1.47 118.16 118.19 3fa4 n LYS 268 Ca 0.12 0.22 0.09 0.00 -0.00 0.00 0.00 58.31 58.74 3fa4 n LYS 268 Cb 0.51 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 33.98 3fa4 n LYS 268 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3fa4 n GLU 269 N -1.25 0.62 -1.04 -1.58 -0.58 -1.26 -4.37 120.64 111.19 3fa4 n GLU 269 Ca 0.02 0.05 -0.22 0.00 -0.42 0.00 0.00 57.16 56.59 3fa4 n GLU 269 Cb 0.02 -1.74 -0.10 0.00 -0.57 0.00 0.00 31.44 29.06 3fa4 n GLU 269 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3fa4 n MET 270 N -2.61 2.53 -0.77 3.49 2.81 -0.54 -4.73 117.12 117.29 3fa4 n MET 270 Ca -0.04 -1.43 -0.31 0.00 -1.81 0.00 0.00 57.70 54.12 3fa4 n MET 270 Cb 0.62 -2.31 0.16 0.00 -0.71 0.00 0.00 33.22 30.99 3fa4 n MET 270 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3fa4 s THR 271 N 1.74 2.25 0.21 2.03 -4.23 -1.26 -4.96 115.64 111.43 3fa4 s THR 271 Ca 0.62 0.08 -0.04 0.00 -1.18 0.00 0.00 61.69 61.17 3fa4 s THR 271 Cb 0.23 -2.18 0.02 0.00 1.34 0.00 0.00 72.50 71.91 3fa4 s THR 271 CO -0.02 -0.11 1.61 -0.65 -0.54 0.00 0.00 174.62 174.91 3fa4 h PRO 272 N -1.82 0.74 -0.84 3.99 0.11 -1.99 -3.07 132.00 129.11 3fa4 h PRO 272 Ca -0.45 -0.32 0.19 0.00 0.11 0.00 0.00 66.00 65.54 3fa4 h PRO 272 Cb 1.27 -0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.24 3fa4 h PRO 272 CO 0.44 0.93 0.33 1.96 -0.21 0.00 0.00 178.00 181.45 3fa4 h GLN 273 N 0.64 0.38 -0.47 1.05 7.50 -1.96 0.12 115.11 122.37 3fa4 h GLN 273 Ca 0.08 -0.02 -0.05 0.00 0.50 0.00 0.00 58.65 59.16 3fa4 h GLN 273 Cb 0.79 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.21 3fa4 h GLN 273 CO 0.06 0.25 0.10 1.98 -1.50 0.00 0.00 178.83 179.72 3fa4 h MET 274 N 0.39 0.71 0.00 1.46 4.05 -1.83 0.13 114.93 119.84 3fa4 h MET 274 Ca 0.50 -0.14 -0.14 0.00 -0.28 0.00 0.00 59.70 59.64 3fa4 h MET 274 Cb 0.90 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.57 3fa4 h MET 274 CO -0.50 0.66 -0.68 -0.07 0.23 0.00 0.00 176.91 176.54 3fa4 h LEU 275 N 0.69 0.00 -0.94 3.39 3.38 -0.98 -1.84 115.31 119.01 3fa4 h LEU 275 Ca 0.15 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 3fa4 h LEU 275 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3fa4 h LEU 275 CO -0.00 0.68 -0.48 -0.26 0.09 0.00 0.00 178.44 178.47 3fa4 h PHE 276 N 0.00 0.13 -0.53 1.13 0.05 -0.60 -2.50 116.94 114.61 3fa4 h PHE 276 Ca -0.01 -0.04 -0.07 0.00 3.82 0.00 0.00 57.97 61.67 3fa4 h PHE 276 Cb 1.46 -0.03 -0.02 0.00 2.00 0.00 0.00 35.95 39.36 3fa4 h PHE 276 CO 0.00 0.57 0.05 0.00 -0.18 0.00 0.00 178.31 178.75 3fa4 h ARG 277 N 0.08 0.91 -0.83 1.51 3.08 -0.39 -0.42 114.38 118.32 3fa4 h ARG 277 Ca 0.00 -0.26 0.09 0.00 0.07 0.00 0.00 59.98 59.88 3fa4 h ARG 277 Cb 0.89 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.77 3fa4 h ARG 277 CO 0.07 0.90 0.48 0.28 -1.07 0.00 0.00 179.97 180.63 3fa4 h VAL 278 N 0.79 0.92 -0.17 2.04 2.07 -1.30 -0.95 116.25 119.64 3fa4 h VAL 278 Ca 0.16 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 3fa4 h VAL 278 Cb 0.46 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 3fa4 h VAL 278 CO 0.02 0.15 0.10 0.00 0.02 0.00 0.00 177.57 177.86 3fa4 n GLY 280 N 0.18 -0.31 0.32 0.00 0.00 -0.36 -4.95 105.19 100.07 3fa4 n GLY 280 Ca 0.10 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.16 -0.85 -0.10 0.99 5.85 -1.24 -2.31 115.31 115.49 3fa4 h LEU 281 Ca -0.49 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.38 3fa4 h LEU 281 Cb 1.31 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 42.62 3fa4 h LEU 281 CO 0.46 -0.38 -0.19 0.44 -0.34 0.00 0.00 178.44 178.44 3fa4 h ASP 282 N -0.49 -0.57 -0.30 1.25 3.32 -1.87 0.38 116.42 118.14 3fa4 h ASP 282 Ca 0.04 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.24 3fa4 h ASP 282 Cb 0.54 0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.29 3fa4 h ASP 282 CO -0.20 -0.24 -0.03 -0.33 -1.72 0.00 0.00 179.24 176.72 3fa4 h GLU 283 N -0.25 0.05 -0.51 3.56 3.07 -1.97 -0.84 114.58 117.69 3fa4 h GLU 283 Ca 0.09 -0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.04 3fa4 h GLU 283 Cb 0.38 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.20 3fa4 h GLU 283 CO -0.24 0.03 0.09 0.77 -1.40 0.00 0.00 179.01 178.25 3fa4 h SER 284 N 0.05 -0.04 -0.83 1.42 0.02 -0.78 -1.10 113.55 112.29 3fa4 h SER 284 Ca 0.15 0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.23 3fa4 h SER 284 Cb 0.21 0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 3fa4 h SER 284 CO -0.28 0.01 0.54 0.24 -1.14 0.00 0.00 176.83 176.20 3fa4 h MET 285 N 0.22 0.98 0.00 3.45 2.86 0.48 -0.30 114.93 122.61 3fa4 h MET 285 Ca 0.26 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.72 3fa4 h MET 285 Cb 0.36 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3fa4 h MET 285 CO -0.35 0.65 -0.59 1.57 1.06 0.00 0.00 176.91 179.24 3fa4 h LYS 286 N 1.01 0.00 -0.28 1.72 2.10 -0.78 -0.43 116.57 119.92 3fa4 h LYS 286 Ca 0.33 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.97 3fa4 h LYS 286 Cb 0.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 3fa4 h LYS 286 CO -0.10 0.59 0.14 0.28 -2.00 0.00 0.00 179.45 178.37 3fa4 h VAL 287 N 0.00 1.14 -0.24 0.07 2.07 -0.42 -0.26 116.25 118.60 3fa4 h VAL 287 Ca -0.01 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 3fa4 h VAL 287 Cb 1.35 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3fa4 h VAL 287 CO 0.08 0.14 0.09 -0.78 0.02 0.00 0.00 177.57 177.11 3fa4 h ASP 288 N 0.32 0.34 -0.97 0.57 1.82 -0.98 -3.03 116.42 114.48 3fa4 h ASP 288 Ca 0.10 -0.18 0.07 0.00 -0.39 0.00 0.00 57.03 56.63 3fa4 h ASP 288 Cb 0.09 -0.09 -0.07 0.00 0.68 0.00 0.00 39.33 39.95 3fa4 h ASP 288 CO -0.01 0.42 0.62 0.00 -1.61 0.00 0.00 179.24 178.66 3fa4 h ALA 289 N 0.93 1.36 -0.00 -0.78 0.00 -1.06 -2.82 119.26 116.87 3fa4 h ALA 289 Ca 0.08 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3fa4 h ALA 289 Cb 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3fa4 h ALA 289 CO -0.01 0.39 -0.48 0.37 0.00 0.00 0.00 179.25 179.53 3fa4 h GLN 290 N 1.12 0.00 0.00 0.00 4.15 -0.98 -2.63 115.11 116.78 3fa4 h GLN 290 Ca 0.43 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.84 3fa4 h GLN 290 Cb 0.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.88 3fa4 h GLN 290 CO -0.18 0.48 0.00 0.00 -1.93 0.00 0.00 178.83 177.20 3fa4 n ALA 291 N -2.45 2.48 0.00 3.38 0.00 -1.07 -4.95 120.51 117.90 3fa4 n ALA 291 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3fa4 n ALA 291 Cb 0.50 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3fa4 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 292 N 0.55 -0.45 7.00 0.00 0.00 -0.99 -5.04 105.19 106.26 3fa4 n GLY 292 Ca 0.07 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3fa4 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa4 n GLY 293 N -0.46 0.71 0.00 -0.02 0.00 -1.26 -4.49 105.19 99.67 3fa4 n GLY 293 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3fa4 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa4 n ALA 294 N 1.49 0.00 0.60 4.61 0.00 -1.26 -4.41 120.51 121.54 3fa4 n ALA 294 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3fa4 n ALA 294 Cb 0.00 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.82 3fa4 n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa4 n ALA 295 N -2.63 1.79 -0.31 0.00 0.00 -1.26 -5.06 120.51 113.04 3fa4 n ALA 295 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3fa4 n ALA 295 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3fa4 n ALA 295 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69