#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa3 s VAL 4 N 0.00 3.73 -0.00 1.12 1.01 -1.26 -5.09 120.40 119.91 3fa3 s VAL 4 Ca 0.00 0.42 -0.05 0.00 0.00 0.00 0.00 61.98 62.36 3fa3 s VAL 4 Cb 0.00 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 3fa3 s VAL 4 CO 0.00 -0.67 0.09 0.28 0.00 0.00 0.00 175.10 174.80 3fa3 s THR 5 N -3.24 0.07 -1.32 3.92 -1.32 -1.26 -5.07 115.64 107.42 3fa3 s THR 5 Ca 0.56 -0.59 0.30 0.00 -1.21 0.00 0.00 61.69 60.76 3fa3 s THR 5 Cb -0.11 -0.33 0.45 0.00 -1.51 0.00 0.00 72.50 71.01 3fa3 s THR 5 CO 0.50 -0.32 2.03 0.00 -2.21 0.00 0.00 174.62 174.62 3fa3 n ALA 6 N 1.85 2.44 0.15 11.08 0.00 -1.26 -2.73 120.51 132.04 3fa3 n ALA 6 Ca -0.21 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.19 3fa3 n ALA 6 Cb 0.56 -1.49 0.48 0.00 0.00 0.00 0.00 19.45 19.01 3fa3 n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 n ALA 7 N -1.34 1.08 -0.07 0.00 0.00 -1.26 -2.82 120.51 116.10 3fa3 n ALA 7 Ca 0.12 0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.67 3fa3 n ALA 7 Cb 0.27 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 3fa3 n ALA 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3fa3 h THR 8 N 0.00 0.18 -0.98 0.00 2.02 -1.82 -2.72 112.91 109.60 3fa3 h THR 8 Ca 0.00 -1.18 0.10 0.00 0.77 0.00 0.00 66.41 66.09 3fa3 h THR 8 Cb 0.02 0.39 -0.07 0.00 -1.74 0.00 0.00 68.15 66.75 3fa3 h THR 8 CO 0.00 0.06 0.62 0.28 0.37 0.00 0.00 175.52 176.85 3fa3 h SER 9 N -1.00 0.93 1.17 4.18 0.02 -1.73 0.16 113.55 117.28 3fa3 h SER 9 Ca -0.04 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3fa3 h SER 9 Cb 0.46 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 3fa3 h SER 9 CO -0.02 0.54 -0.12 0.25 -1.14 0.00 0.00 176.83 176.34 3fa3 h LEU 10 N 1.02 0.00 0.00 5.07 5.85 -1.65 -2.95 115.31 122.66 3fa3 h LEU 10 Ca 0.46 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 59.06 3fa3 h LEU 10 Cb 0.38 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3fa3 h LEU 10 CO -0.21 0.12 -1.58 -1.14 -0.34 0.00 0.00 178.44 175.28 3fa3 n ARG 11 N -3.22 0.64 -0.09 1.25 0.63 0.51 -2.56 116.66 113.82 3fa3 n ARG 11 Ca 0.01 0.06 -0.09 0.00 -0.92 0.00 0.00 57.85 56.91 3fa3 n ARG 11 Cb 0.42 -1.70 -0.02 0.00 0.45 0.00 0.00 32.46 31.60 3fa3 n ARG 11 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fa3 h ARG 12 N 0.00 0.43 0.00 -0.14 2.47 -1.42 -3.35 114.38 112.37 3fa3 h ARG 12 Ca -0.13 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.48 3fa3 h ARG 12 Cb 1.38 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.62 3fa3 h ARG 12 CO 0.02 0.38 -0.24 0.00 0.56 0.00 0.00 179.97 180.69 3fa3 h ALA 13 N 1.02 1.13 0.00 0.04 0.00 -1.33 0.34 119.26 120.47 3fa3 h ALA 13 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3fa3 h ALA 13 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3fa3 h ALA 13 CO -0.02 0.30 0.00 -0.07 0.00 0.00 0.00 179.25 179.47 3fa3 h LEU 14 N 0.00 0.00 0.03 0.00 4.07 -1.65 -3.32 115.31 114.44 3fa3 h LEU 14 Ca -0.00 0.00 -0.39 0.00 0.08 0.00 0.00 57.88 57.57 3fa3 h LEU 14 Cb 0.65 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.33 3fa3 h LEU 14 CO 0.03 0.00 -2.36 -0.62 -1.08 0.00 0.00 178.44 174.41 3fa3 n GLU 15 N -2.96 0.67 -1.69 1.13 1.02 0.10 -4.62 120.64 114.29 3fa3 n GLU 15 Ca 0.04 0.19 -0.55 0.00 -0.02 0.00 0.00 57.16 56.82 3fa3 n GLU 15 Cb 0.50 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 30.29 3fa3 n GLU 15 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3fa3 n ASN 16 N -3.39 2.49 0.18 1.62 2.85 -0.20 -4.89 115.26 113.92 3fa3 n ASN 16 Ca -0.43 1.06 0.05 0.00 -0.11 0.00 0.00 54.58 55.15 3fa3 n ASN 16 Cb 0.99 -1.19 0.32 0.00 1.24 0.00 0.00 39.78 41.13 3fa3 n ASN 16 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3fa3 h PRO 17 N 7.17 0.00 0.00 1.20 0.13 -1.83 -3.20 132.00 135.48 3fa3 h PRO 17 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3fa3 h PRO 17 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3fa3 h PRO 17 CO 0.93 0.40 -0.08 -0.44 -0.23 0.00 0.00 178.00 178.58 3fa3 h ASP 18 N 0.00 0.00 -3.00 1.44 3.32 -1.90 -3.47 116.42 112.81 3fa3 h ASP 18 Ca -0.00 -0.02 -0.54 0.00 0.02 0.00 0.00 57.03 56.49 3fa3 h ASP 18 Cb 0.92 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.48 3fa3 h ASP 18 CO 0.05 0.01 0.74 -0.44 -1.72 0.00 0.00 179.24 177.88 3fa3 s SER 19 N -4.86 6.89 -0.13 6.45 0.01 -1.21 -5.02 113.70 115.83 3fa3 s SER 19 Ca 0.09 2.16 0.01 0.00 1.31 0.00 0.00 55.95 59.53 3fa3 s SER 19 Cb 0.11 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.78 3fa3 s SER 19 CO 0.63 -0.65 -0.15 0.12 0.41 0.00 0.00 173.24 173.60 3fa3 s PHE 20 N 1.69 2.16 -0.26 2.43 5.36 -1.26 -4.88 117.98 123.22 3fa3 s PHE 20 Ca 0.63 -1.14 -0.15 0.00 -0.96 0.00 0.00 56.93 55.32 3fa3 s PHE 20 Cb -0.33 -1.56 -0.04 0.00 -0.34 0.00 0.00 43.02 40.75 3fa3 s PHE 20 CO 0.28 -0.60 0.36 0.42 -1.46 0.00 0.00 175.22 174.22 3fa3 s ILE 21 N 1.24 5.19 -0.25 3.12 1.09 0.06 -5.02 121.20 126.63 3fa3 s ILE 21 Ca -0.00 0.55 -0.06 0.00 -1.10 0.00 0.00 60.65 60.04 3fa3 s ILE 21 Cb -0.14 -3.68 -0.01 0.00 -1.06 0.00 0.00 42.46 37.57 3fa3 s ILE 21 CO -0.07 0.19 0.02 -0.69 -0.10 0.00 0.00 174.94 174.29 3fa3 s VAL 22 N 1.89 3.79 -0.29 2.92 1.01 -1.26 -0.78 120.40 127.67 3fa3 s VAL 22 Ca 0.15 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 3fa3 s VAL 22 Cb -0.16 -2.80 0.10 0.00 0.00 0.00 0.00 36.38 33.52 3fa3 s VAL 22 CO 0.09 0.32 0.10 0.00 0.00 0.00 0.00 175.10 175.61 3fa3 s ALA 23 N 1.52 1.28 0.33 5.51 0.00 -0.59 -3.80 121.76 126.01 3fa3 s ALA 23 Ca 0.05 -1.44 -0.28 0.00 0.00 0.00 0.00 51.96 50.29 3fa3 s ALA 23 Cb -0.15 -1.52 -0.09 0.00 0.00 0.00 0.00 23.12 21.35 3fa3 s ALA 23 CO 0.00 -1.61 1.14 -1.25 0.00 0.00 0.00 175.76 174.05 3fa3 s PRO 24 N 1.75 4.41 -0.09 0.00 0.04 -1.25 -3.18 135.00 136.68 3fa3 s PRO 24 Ca 0.08 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 3fa3 s PRO 24 Cb -0.17 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 3fa3 s PRO 24 CO -0.26 -0.01 1.26 0.20 0.04 0.00 0.00 177.00 178.23 3fa3 s GLY 25 N -0.95 1.90 0.33 0.56 0.00 0.85 -1.60 107.32 108.40 3fa3 s GLY 25 Ca 0.49 0.60 0.08 0.00 0.00 0.00 0.00 44.72 45.89 3fa3 s GLY 25 CO 0.41 2.37 -0.06 -1.34 0.00 0.00 0.00 173.10 174.48 3fa3 s VAL 26 N 2.74 1.93 0.00 1.40 -7.23 -0.01 -3.05 120.40 116.18 3fa3 s VAL 26 Ca 0.57 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 3fa3 s VAL 26 Cb -0.25 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.06 3fa3 s VAL 26 CO 0.20 -0.19 0.00 0.00 -0.31 0.00 0.00 175.10 174.79 3fa3 n TYR 27 N -0.74 0.00 -3.66 2.82 4.11 -1.26 -1.46 117.16 116.97 3fa3 n TYR 27 Ca -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.78 3fa3 n TYR 27 Cb 0.64 0.01 0.00 0.00 -0.00 0.00 0.00 39.34 40.00 3fa3 n TYR 27 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 3fa3 n ASP 28 N 0.00 -1.26 -0.04 9.48 5.75 -1.26 -4.55 116.55 124.67 3fa3 n ASP 28 Ca 0.00 -2.12 -0.03 0.00 -0.01 0.00 0.00 54.79 52.63 3fa3 n ASP 28 Cb 0.18 2.17 0.21 0.00 -1.03 0.00 0.00 41.12 42.64 3fa3 n ASP 28 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3fa3 h GLY 29 N 1.29 0.67 0.37 6.12 0.00 -1.98 -1.39 103.07 108.15 3fa3 h GLY 29 Ca -0.20 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 3fa3 h GLY 29 CO 0.26 0.42 -0.18 1.41 0.00 0.00 0.00 176.54 178.46 3fa3 h LEU 30 N 0.57 -0.42 -1.05 3.11 3.38 -1.99 -2.19 115.31 116.72 3fa3 h LEU 30 Ca 0.11 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.29 3fa3 h LEU 30 Cb 0.49 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 3fa3 h LEU 30 CO 0.03 -0.27 0.61 0.77 0.09 0.00 0.00 178.44 179.67 3fa3 h SER 31 N -0.56 0.75 -0.19 -0.43 4.64 -1.96 0.14 113.55 115.93 3fa3 h SER 31 Ca -0.05 0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.39 3fa3 h SER 31 Cb 0.38 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 3fa3 h SER 31 CO 0.08 0.26 0.01 0.00 -0.87 0.00 0.00 176.83 176.30 3fa3 h ALA 32 N 1.65 0.17 -0.76 5.18 0.00 -1.29 -1.95 119.26 122.26 3fa3 h ALA 32 Ca 0.58 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.48 3fa3 h ALA 32 Cb 0.95 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3fa3 h ALA 32 CO -0.37 -0.43 0.27 0.00 0.00 0.00 0.00 179.25 178.72 3fa3 h ARG 33 N 0.07 1.15 -0.04 0.00 2.47 -0.31 -0.95 114.38 116.78 3fa3 h ARG 33 Ca 0.09 -0.23 -0.03 0.00 -1.26 0.00 0.00 59.98 58.55 3fa3 h ARG 33 Cb 0.10 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 3fa3 h ARG 33 CO -0.14 0.96 -0.08 0.28 0.56 0.00 0.00 179.97 181.55 3fa3 h VAL 34 N 1.11 1.44 -0.55 2.04 2.07 -1.42 0.61 116.25 121.55 3fa3 h VAL 34 Ca 0.25 -1.42 0.11 0.00 0.82 0.00 0.00 66.70 66.46 3fa3 h VAL 34 Cb 0.26 2.29 -0.10 0.00 -1.52 0.00 0.00 31.29 32.22 3fa3 h VAL 34 CO -0.01 0.38 -0.14 0.00 0.02 0.00 0.00 177.57 177.82 3fa3 h ALA 35 N 0.45 0.36 -0.23 1.67 0.00 -1.31 0.81 119.26 121.01 3fa3 h ALA 35 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3fa3 h ALA 35 Cb 0.67 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3fa3 h ALA 35 CO 0.02 -0.44 0.07 1.25 0.00 0.00 0.00 179.25 180.16 3fa3 h LEU 36 N -0.00 0.08 -0.79 0.00 7.12 -1.00 -1.79 115.31 118.92 3fa3 h LEU 36 Ca 0.26 0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.32 3fa3 h LEU 36 Cb 0.40 0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.50 3fa3 h LEU 36 CO -0.57 0.08 0.51 0.28 -0.13 0.00 0.00 178.44 178.61 3fa3 h SER 37 N 0.18 0.85 0.03 1.25 0.02 -0.41 -2.10 113.55 113.38 3fa3 h SER 37 Ca 0.10 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3fa3 h SER 37 Cb 0.07 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3fa3 h SER 37 CO -0.10 0.60 0.00 0.00 -1.14 0.00 0.00 176.83 176.18 3fa3 n ALA 38 N -2.33 1.83 0.00 3.77 0.00 0.28 -4.81 120.51 119.25 3fa3 n ALA 38 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3fa3 n ALA 38 Cb 0.07 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3fa3 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 39 N -0.38 0.56 3.30 0.00 0.00 -0.79 -5.07 105.19 102.81 3fa3 n GLY 39 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3fa3 n GLY 39 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fa3 n PHE 40 N -1.75 -2.40 0.74 1.61 3.01 -1.23 -4.93 117.46 112.51 3fa3 n PHE 40 Ca 0.00 0.33 0.08 0.00 1.01 0.00 0.00 57.45 58.87 3fa3 n PHE 40 Cb 0.00 -1.74 0.02 0.00 -0.01 0.00 0.00 39.48 37.74 3fa3 n PHE 40 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3fa3 n ASP 41 N 1.53 1.86 -3.75 4.37 8.00 -1.26 -4.89 116.55 122.42 3fa3 n ASP 41 Ca 0.07 -1.43 -0.13 0.00 0.71 0.00 0.00 54.79 54.01 3fa3 n ASP 41 Cb 0.50 0.35 -0.09 0.00 -0.02 0.00 0.00 41.12 41.86 3fa3 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa3 s ALA 42 N -1.82 -0.87 0.02 2.24 0.00 -1.25 -4.20 121.76 115.88 3fa3 s ALA 42 Ca 0.15 0.61 0.08 0.00 0.00 0.00 0.00 51.96 52.80 3fa3 s ALA 42 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 3fa3 s ALA 42 CO 0.37 -0.24 -0.25 -0.51 0.00 0.00 0.00 175.76 175.14 3fa3 s LEU 43 N -0.81 2.13 -0.04 0.00 1.43 -0.68 -3.77 118.68 116.93 3fa3 s LEU 43 Ca -0.09 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 52.45 3fa3 s LEU 43 Cb -0.04 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 3fa3 s LEU 43 CO 0.03 0.26 0.15 -0.47 0.23 0.00 0.00 176.35 176.54 3fa3 s TYR 44 N -0.72 3.51 -0.30 0.29 5.04 -0.63 -0.85 117.35 123.69 3fa3 s TYR 44 Ca 0.10 0.38 -0.07 0.00 -2.44 0.00 0.00 57.07 55.04 3fa3 s TYR 44 Cb -0.10 -1.85 0.01 0.00 0.35 0.00 0.00 41.96 40.38 3fa3 s TYR 44 CO 0.01 0.65 0.09 1.41 -1.34 0.00 0.00 175.55 176.38 3fa3 s MET 45 N -1.59 3.08 0.31 4.97 -2.45 0.38 -0.83 119.30 123.17 3fa3 s MET 45 Ca 0.22 -0.87 -0.28 0.00 -1.25 0.00 0.00 55.69 53.51 3fa3 s MET 45 Cb -0.12 -3.41 -0.09 0.00 1.25 0.00 0.00 34.83 32.45 3fa3 s MET 45 CO 0.13 -0.46 1.14 -0.08 1.05 0.00 0.00 175.02 176.79 3fa3 s THR 46 N 1.51 3.34 -0.13 10.11 -1.32 -0.54 -2.38 115.64 126.22 3fa3 s THR 46 Ca 0.02 1.29 -0.15 0.00 -1.21 0.00 0.00 61.69 61.64 3fa3 s THR 46 Cb -0.17 -3.79 -0.13 0.00 -1.51 0.00 0.00 72.50 66.89 3fa3 s THR 46 CO 0.03 0.26 0.31 1.23 -2.21 0.00 0.00 174.62 174.24 3fa3 h GLY 47 N 3.47 0.00 -0.79 6.08 0.00 -1.92 -1.42 103.07 108.49 3fa3 h GLY 47 Ca -0.47 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.07 3fa3 h GLY 47 CO 0.66 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 177.13 3fa3 h ALA 48 N -0.54 0.89 -0.20 3.60 0.00 -1.95 0.29 119.26 121.35 3fa3 h ALA 48 Ca -0.04 0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3fa3 h ALA 48 Cb 0.62 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3fa3 h ALA 48 CO -0.03 -0.47 -0.01 0.78 0.00 0.00 0.00 179.25 179.52 3fa3 h GLY 49 N 0.03 0.39 1.17 0.00 0.00 -1.94 -2.01 103.07 100.71 3fa3 h GLY 49 Ca 0.50 -0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.60 3fa3 h GLY 49 CO -0.88 0.27 0.41 -0.84 0.00 0.00 0.00 176.54 175.51 3fa3 h THR 50 N 0.11 1.02 -0.86 4.70 2.02 0.11 0.82 112.91 120.82 3fa3 h THR 50 Ca 0.05 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3fa3 h THR 50 Cb 0.42 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 3fa3 h THR 50 CO 0.01 0.12 0.51 0.00 0.37 0.00 0.00 175.52 176.53 3fa3 h ALA 51 N 1.66 1.29 0.04 6.16 0.00 -0.00 -2.04 119.26 126.36 3fa3 h ALA 51 Ca 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3fa3 h ALA 51 Cb 0.24 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3fa3 h ALA 51 CO -0.08 0.61 -0.02 0.00 0.00 0.00 0.00 179.25 179.76 3fa3 h ALA 52 N 1.39 -0.05 -0.08 0.00 0.00 -0.23 -1.79 119.26 118.49 3fa3 h ALA 52 Ca 0.31 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fa3 h ALA 52 Cb -0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fa3 h ALA 52 CO -0.06 -0.24 0.00 0.45 0.00 0.00 0.00 179.25 179.40 3fa3 n SER 53 N -4.84 1.61 -0.06 0.00 2.88 -0.03 -1.43 113.62 111.75 3fa3 n SER 53 Ca -0.09 -1.60 -0.12 0.00 -1.33 0.00 0.00 58.87 55.74 3fa3 n SER 53 Cb 0.28 -0.05 -0.04 0.00 -0.75 0.00 0.00 64.21 63.65 3fa3 n SER 53 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3fa3 n VAL 54 N 0.27 0.65 0.59 2.46 0.31 -0.77 -4.80 118.33 117.03 3fa3 n VAL 54 Ca 0.18 -0.18 0.07 0.00 -0.01 0.00 0.00 64.34 64.39 3fa3 n VAL 54 Cb 0.35 -1.51 0.01 0.00 -0.91 0.00 0.00 33.84 31.78 3fa3 n VAL 54 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3fa3 n HIS 55 N -3.39 0.00 -2.65 3.52 8.25 -0.92 -4.99 115.22 115.05 3fa3 n HIS 55 Ca -0.23 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.02 3fa3 n HIS 55 Cb 0.68 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.79 3fa3 n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 56 N 0.97 -0.51 3.00 -1.41 0.00 -0.52 -4.94 105.19 101.78 3fa3 n GLY 56 Ca 0.06 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 3fa3 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fa3 s GLN 57 N -5.31 0.36 0.64 1.61 2.00 -0.73 -4.94 119.66 113.29 3fa3 s GLN 57 Ca 0.12 -0.68 -0.17 0.00 -2.00 0.00 0.00 55.36 52.63 3fa3 s GLN 57 Cb -0.05 0.08 -0.01 0.00 0.80 0.00 0.00 33.01 33.83 3fa3 s GLN 57 CO 0.15 -0.05 1.22 0.00 -0.50 0.00 0.00 175.29 176.11 3fa3 s ALA 58 N -1.67 2.40 -0.87 1.58 0.00 -1.26 -3.45 121.76 118.47 3fa3 s ALA 58 Ca -0.13 0.98 -0.25 0.00 0.00 0.00 0.00 51.96 52.56 3fa3 s ALA 58 Cb -0.08 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3fa3 s ALA 58 CO -0.02 -1.44 1.85 0.34 0.00 0.00 0.00 175.76 176.49 3fa3 s ASP 59 N -1.74 5.38 -0.04 0.00 3.68 -1.26 -4.64 116.67 118.04 3fa3 s ASP 59 Ca 0.77 -0.64 0.25 0.00 2.13 0.00 0.00 52.55 55.06 3fa3 s ASP 59 Cb -0.31 -2.56 0.44 0.00 -1.45 0.00 0.00 42.92 39.05 3fa3 s ASP 59 CO 0.38 -2.50 1.16 0.18 0.13 0.00 0.00 175.17 174.52 3fa3 n LEU 60 N 12.97 1.13 0.00 -1.34 4.77 -1.26 -2.78 117.00 130.50 3fa3 n LEU 60 Ca 0.35 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.13 3fa3 n LEU 60 Cb 0.48 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3fa3 n LEU 60 CO 0.63 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.90 3fa3 n GLY 61 N 0.30 1.13 0.40 -0.72 0.00 -1.01 -4.31 105.19 100.98 3fa3 n GLY 61 Ca 0.07 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.29 3fa3 n GLY 61 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fa3 h ILE 62 N 0.00 0.61 -3.78 -0.61 1.08 -1.87 -3.42 117.51 109.51 3fa3 h ILE 62 Ca 0.00 -0.15 -0.53 0.00 -0.39 0.00 0.00 64.86 63.79 3fa3 h ILE 62 Cb 0.00 0.14 0.09 0.00 -3.07 0.00 0.00 36.82 33.98 3fa3 h ILE 62 CO 0.00 0.08 0.76 0.00 -0.69 0.00 0.00 178.15 178.30 3fa3 s THR 64 N -0.85 4.74 0.22 0.00 -1.32 -1.26 -4.99 115.64 112.18 3fa3 s THR 64 Ca 0.54 -0.52 -0.07 0.00 -1.21 0.00 0.00 61.69 60.43 3fa3 s THR 64 Cb -0.45 -3.73 0.18 0.00 -1.51 0.00 0.00 72.50 66.99 3fa3 s THR 64 CO 0.57 -0.47 1.73 0.25 -2.21 0.00 0.00 174.62 174.49 3fa3 h LEU 65 N 0.67 0.22 -0.84 9.08 5.85 -1.96 -2.19 115.31 126.14 3fa3 h LEU 65 Ca -0.49 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.45 3fa3 h LEU 65 Cb 1.23 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.26 3fa3 h LEU 65 CO 0.60 0.11 0.46 0.78 -0.34 0.00 0.00 178.44 180.05 3fa3 h ASN 66 N 0.41 0.62 0.02 1.25 4.21 -2.00 -1.48 115.58 118.62 3fa3 h ASN 66 Ca 0.35 0.07 -0.00 0.00 1.21 0.00 0.00 56.30 57.93 3fa3 h ASN 66 Cb 0.48 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 3fa3 h ASN 66 CO -0.36 0.31 -0.01 0.44 -1.29 0.00 0.00 177.43 176.53 3fa3 h ASP 67 N 0.72 -0.02 -0.47 5.81 3.32 -1.80 -3.00 116.42 120.98 3fa3 h ASP 67 Ca 0.43 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3fa3 h ASP 67 Cb 0.51 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3fa3 h ASP 67 CO -0.30 0.40 0.30 0.24 -1.72 0.00 0.00 179.24 178.16 3fa3 h MET 68 N -0.45 0.63 -0.09 3.56 2.86 -1.20 -2.18 114.93 118.06 3fa3 h MET 68 Ca -0.00 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 3fa3 h MET 68 Cb 0.43 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3fa3 h MET 68 CO 0.00 0.44 -0.20 -0.09 1.06 0.00 0.00 176.91 178.13 3fa3 h ARG 69 N 0.63 0.15 0.21 1.72 1.12 -1.31 -1.95 114.38 114.95 3fa3 h ARG 69 Ca 0.17 -0.04 -0.32 0.00 -1.11 0.00 0.00 59.98 58.69 3fa3 h ARG 69 Cb -0.04 -0.02 0.03 0.00 -0.01 0.00 0.00 29.97 29.93 3fa3 h ARG 69 CO -0.03 0.35 -1.40 0.00 -3.11 0.00 0.00 179.97 175.77 3fa3 h ALA 70 N 1.66 -0.07 -1.67 2.80 0.00 -1.33 -0.81 119.26 119.86 3fa3 h ALA 70 Ca 0.03 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3fa3 h ALA 70 Cb 0.43 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3fa3 h ALA 70 CO 0.03 0.80 0.00 -1.71 0.00 0.00 0.00 179.25 178.37 3fa3 n ASN 71 N -3.65 0.00 -0.01 0.00 4.05 -0.85 -2.11 115.26 112.69 3fa3 n ASN 71 Ca -0.14 0.72 0.00 0.00 0.45 0.00 0.00 54.58 55.62 3fa3 n ASN 71 Cb 1.08 -0.22 0.01 0.00 1.23 0.00 0.00 39.78 41.87 3fa3 n ASN 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3fa3 n ALA 72 N -1.36 0.01 -0.02 5.20 0.00 -0.75 -0.92 120.51 122.67 3fa3 n ALA 72 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.30 3fa3 n ALA 72 Cb 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.34 3fa3 n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fa3 h GLU 73 N 0.00 0.50 -0.32 0.00 4.81 -0.81 -0.48 114.58 118.27 3fa3 h GLU 73 Ca 0.01 -0.44 -0.04 0.00 -0.13 0.00 0.00 59.36 58.77 3fa3 h GLU 73 Cb 0.02 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3fa3 h GLU 73 CO -0.02 1.07 0.05 0.00 -0.73 0.00 0.00 179.01 179.38 3fa3 h MET 74 N 0.08 0.54 -0.52 1.92 -0.00 -0.54 -2.80 114.93 113.60 3fa3 h MET 74 Ca -0.05 -0.14 0.10 0.00 -0.00 0.00 0.00 59.70 59.61 3fa3 h MET 74 Cb 1.20 -0.06 -0.09 0.00 -0.00 0.00 0.00 31.60 32.65 3fa3 h MET 74 CO 0.11 0.62 0.01 0.82 -0.00 0.00 0.00 176.91 178.47 3fa3 h ILE 75 N 0.37 0.59 0.00 -0.10 2.04 -0.96 -0.29 117.51 119.15 3fa3 h ILE 75 Ca 0.10 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3fa3 h ILE 75 Cb 0.35 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3fa3 h ILE 75 CO 0.01 0.02 0.00 0.28 0.00 0.00 0.00 178.15 178.46 3fa3 h SER 76 N 0.13 0.00 -0.43 1.72 0.02 -0.97 -2.91 113.55 111.11 3fa3 h SER 76 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3fa3 h SER 76 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3fa3 h SER 76 CO -0.43 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 175.85 3fa3 n ASN 77 N -2.60 3.33 0.04 3.07 3.02 -0.19 -3.59 115.26 118.33 3fa3 n ASN 77 Ca 0.02 -1.94 -0.13 0.00 -0.03 0.00 0.00 54.58 52.50 3fa3 n ASN 77 Cb 0.29 -0.28 -0.08 0.00 -0.61 0.00 0.00 39.78 39.10 3fa3 n ASN 77 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3fa3 h ILE 78 N 3.67 1.13 -3.35 2.41 2.04 -1.14 -3.40 117.51 118.87 3fa3 h ILE 78 Ca 0.00 -0.55 -0.61 0.00 1.00 0.00 0.00 64.86 64.69 3fa3 h ILE 78 Cb 0.88 1.49 -0.40 0.00 -0.74 0.00 0.00 36.82 38.05 3fa3 h ILE 78 CO 0.00 0.14 -0.74 -0.55 0.00 0.00 0.00 178.15 177.00 3fa3 s SER 79 N -5.38 4.29 0.17 1.72 0.15 -1.26 -5.02 113.70 108.37 3fa3 s SER 79 Ca -0.14 -1.93 -0.09 0.00 0.70 0.00 0.00 55.95 54.48 3fa3 s SER 79 Cb 0.04 -1.18 0.04 0.00 -1.71 0.00 0.00 66.02 63.20 3fa3 s SER 79 CO 0.65 -0.39 1.56 1.55 1.20 0.00 0.00 173.24 177.81 3fa3 h PRO 80 N 7.78 0.96 0.00 5.44 0.13 -1.78 0.39 132.00 144.92 3fa3 h PRO 80 Ca -0.09 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3fa3 h PRO 80 Cb 1.01 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3fa3 h PRO 80 CO 0.50 1.08 0.00 -1.13 -0.23 0.00 0.00 178.00 178.22 3fa3 n SER 81 N -4.11 0.00 -4.64 1.44 3.41 -1.26 -4.30 113.62 104.16 3fa3 n SER 81 Ca -0.00 -0.16 -0.39 0.00 -0.26 0.00 0.00 58.87 58.06 3fa3 n SER 81 Cb 0.46 -0.22 -0.07 0.00 -0.26 0.00 0.00 64.21 64.12 3fa3 n SER 81 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3fa3 s THR 82 N -2.45 5.11 0.11 6.66 2.01 0.13 -4.98 115.64 122.23 3fa3 s THR 82 Ca 0.23 0.87 -0.30 0.00 0.31 0.00 0.00 61.69 62.79 3fa3 s THR 82 Cb 0.14 -3.81 -0.07 0.00 0.01 0.00 0.00 72.50 68.77 3fa3 s THR 82 CO 0.31 0.15 1.22 -2.16 -0.69 0.00 0.00 174.62 173.45 3fa3 s PRO 83 N 1.89 4.44 -0.18 4.92 0.04 -1.26 -4.86 135.00 140.00 3fa3 s PRO 83 Ca 0.22 1.84 -0.03 0.00 0.04 0.00 0.00 61.00 63.07 3fa3 s PRO 83 Cb -0.15 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 3fa3 s PRO 83 CO 0.09 -0.22 -0.07 0.08 0.04 0.00 0.00 177.00 176.92 3fa3 s VAL 84 N 0.67 3.38 -0.15 -0.36 1.01 -1.26 -1.68 120.40 122.01 3fa3 s VAL 84 Ca 0.57 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 3fa3 s VAL 84 Cb -0.31 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3fa3 s VAL 84 CO 0.32 0.47 0.28 -0.63 0.00 0.00 0.00 175.10 175.54 3fa3 s ILE 85 N 0.89 5.31 -0.14 2.22 1.01 -0.03 -0.73 121.20 129.73 3fa3 s ILE 85 Ca -0.01 0.52 -0.03 0.00 0.00 0.00 0.00 60.65 61.12 3fa3 s ILE 85 Cb -0.15 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.76 3fa3 s ILE 85 CO 0.01 0.42 0.06 0.00 0.00 0.00 0.00 174.94 175.42 3fa3 s ALA 86 N 0.28 0.59 0.19 9.38 0.00 0.10 -0.47 121.76 131.82 3fa3 s ALA 86 Ca 0.16 -0.29 -0.15 0.00 0.00 0.00 0.00 51.96 51.68 3fa3 s ALA 86 Cb -0.13 -0.95 -0.10 0.00 0.00 0.00 0.00 23.12 21.94 3fa3 s ALA 86 CO 0.04 -0.94 0.17 -3.47 0.00 0.00 0.00 175.76 171.56 3fa3 n ASP 87 N 5.20 -1.28 -1.32 0.00 -0.08 -1.00 -3.57 116.55 114.49 3fa3 n ASP 87 Ca -0.07 0.58 -0.01 0.00 -1.51 0.00 0.00 54.79 53.77 3fa3 n ASP 87 Cb 0.49 -0.55 -0.02 0.00 2.34 0.00 0.00 41.12 43.38 3fa3 n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fa3 n ALA 88 N -0.33 3.04 0.00 -1.67 0.00 -1.17 -4.75 120.51 115.62 3fa3 n ALA 88 Ca 0.09 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.97 3fa3 n ALA 88 Cb 0.20 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3fa3 n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fa3 n ASP 89 N 0.20 0.00 -1.48 0.00 8.00 -1.24 -2.43 116.55 119.60 3fa3 n ASP 89 Ca -0.10 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.28 3fa3 n ASP 89 Cb 0.93 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 42.20 3fa3 n ASP 89 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3fa3 n THR 90 N 0.00 2.73 -0.78 -3.53 -2.24 -1.26 -1.83 114.28 107.37 3fa3 n THR 90 Ca 0.00 -2.82 0.00 0.00 -2.27 0.00 0.00 64.05 58.96 3fa3 n THR 90 Cb 0.00 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 3fa3 n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fa3 n GLY 91 N -1.08 0.22 3.62 3.38 0.00 -1.02 -3.92 105.19 106.40 3fa3 n GLY 91 Ca 0.40 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.14 3fa3 n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fa3 n TYR 92 N -2.11 -1.99 0.00 1.61 4.02 -1.26 -2.62 117.16 114.81 3fa3 n TYR 92 Ca 0.00 0.56 0.00 0.00 -0.01 0.00 0.00 57.90 58.45 3fa3 n TYR 92 Cb 0.15 -3.65 0.00 0.00 -0.02 0.00 0.00 39.34 35.82 3fa3 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fa3 n GLY 93 N -1.61 -0.47 2.29 2.72 0.00 -1.25 -4.65 105.19 102.22 3fa3 n GLY 93 Ca -0.12 -2.22 -0.19 0.00 0.00 0.00 0.00 46.02 43.50 3fa3 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 94 N 0.00 -2.29 0.30 -0.02 0.00 -1.26 -4.35 105.19 97.57 3fa3 n GLY 94 Ca 0.00 -1.54 0.25 0.00 0.00 0.00 0.00 46.02 44.73 3fa3 n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fa3 n PRO 95 N -3.39 -0.06 0.10 1.61 -0.02 -1.26 -0.28 135.00 131.70 3fa3 n PRO 95 Ca 0.10 1.29 -0.12 0.00 -2.02 0.00 0.00 63.50 62.75 3fa3 n PRO 95 Cb 0.37 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 3fa3 n PRO 95 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3fa3 h ILE 96 N 0.00 0.48 -0.32 4.25 2.04 -1.97 -0.08 117.51 121.91 3fa3 h ILE 96 Ca 0.71 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 66.40 3fa3 h ILE 96 Cb 1.78 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 3fa3 h ILE 96 CO -0.75 0.00 -0.45 0.24 0.00 0.00 0.00 178.15 177.19 3fa3 h MET 97 N -0.41 0.87 -1.05 2.37 2.86 -0.91 -2.63 114.93 116.02 3fa3 h MET 97 Ca 0.04 -0.51 0.29 0.00 -2.06 0.00 0.00 59.70 57.45 3fa3 h MET 97 Cb 0.45 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.09 3fa3 h MET 97 CO -0.15 1.15 0.72 0.28 1.06 0.00 0.00 176.91 179.98 3fa3 h VAL 98 N 0.66 0.50 0.05 -2.22 2.07 -1.05 -0.32 116.25 115.94 3fa3 h VAL 98 Ca 0.03 -0.06 -0.28 0.00 0.82 0.00 0.00 66.70 67.21 3fa3 h VAL 98 Cb 1.05 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3fa3 h VAL 98 CO 0.11 0.03 -1.51 0.00 0.02 0.00 0.00 177.57 176.21 3fa3 h ALA 99 N 1.53 0.48 -0.01 1.67 0.00 -0.65 -3.09 119.26 119.18 3fa3 h ALA 99 Ca 0.54 -1.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 3fa3 h ALA 99 Cb 1.80 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 3fa3 h ALA 99 CO -0.12 1.33 -0.01 0.00 0.00 0.00 0.00 179.25 180.46 3fa3 h ARG 100 N 0.03 0.03 -0.90 0.00 3.08 -1.18 0.32 114.38 115.76 3fa3 h ARG 100 Ca -0.22 -0.01 0.26 0.00 0.07 0.00 0.00 59.98 60.07 3fa3 h ARG 100 Cb 1.96 -0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.85 3fa3 h ARG 100 CO 0.12 0.43 0.05 2.41 -1.07 0.00 0.00 179.97 181.91 3fa3 n THR 101 N -4.87 -0.38 0.08 2.04 -1.04 -0.16 -0.21 114.28 109.74 3fa3 n THR 101 Ca -0.08 1.97 -0.11 0.00 -2.04 0.00 0.00 64.05 63.79 3fa3 n THR 101 Cb 0.22 -2.90 -0.10 0.00 -1.82 0.00 0.00 70.33 65.73 3fa3 n THR 101 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3fa3 h THR 102 N 0.00 1.59 0.24 12.58 2.02 -1.36 -0.62 112.91 127.36 3fa3 h THR 102 Ca 0.56 -3.12 -0.33 0.00 0.77 0.00 0.00 66.41 64.29 3fa3 h THR 102 Cb 1.18 2.81 0.03 0.00 -1.74 0.00 0.00 68.15 70.43 3fa3 h THR 102 CO -0.84 0.90 -1.46 -0.33 0.37 0.00 0.00 175.52 174.17 3fa3 h GLU 103 N 0.05 0.51 -0.18 6.66 5.08 0.13 -2.74 114.58 124.08 3fa3 h GLU 103 Ca -0.07 -0.87 -0.02 0.00 -1.00 0.00 0.00 59.36 57.41 3fa3 h GLU 103 Cb 1.79 0.32 -0.01 0.00 0.50 0.00 0.00 28.75 31.36 3fa3 h GLU 103 CO 0.16 1.42 0.04 1.96 -1.00 0.00 0.00 179.01 181.59 3fa3 h GLN 104 N 0.14 0.29 -0.48 2.33 4.20 -0.54 0.44 115.11 121.50 3fa3 h GLN 104 Ca -0.24 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.49 3fa3 h GLN 104 Cb 2.15 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 29.82 3fa3 h GLN 104 CO 0.27 0.43 0.02 1.88 -0.67 0.00 0.00 178.83 180.76 3fa3 h TYR 105 N 0.10 0.02 0.42 2.96 -1.99 -1.23 0.29 116.97 117.53 3fa3 h TYR 105 Ca 0.06 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 3fa3 h TYR 105 Cb 0.27 0.07 -0.03 0.00 2.00 0.00 0.00 36.73 39.04 3fa3 h TYR 105 CO 0.01 -0.08 -0.52 0.77 -0.00 0.00 0.00 178.16 178.34 3fa3 h SER 106 N 0.14 -1.45 -1.00 3.88 0.02 -1.06 -1.55 113.55 112.52 3fa3 h SER 106 Ca 0.24 0.12 0.21 0.00 -0.84 0.00 0.00 61.79 61.52 3fa3 h SER 106 Cb 0.35 0.49 -0.11 0.00 0.14 0.00 0.00 62.40 63.27 3fa3 h SER 106 CO -0.38 -0.65 0.61 0.03 -1.14 0.00 0.00 176.83 175.30 3fa3 h ARG 107 N -0.96 0.69 0.00 3.45 3.08 0.18 -0.55 114.38 120.28 3fa3 h ARG 107 Ca -0.05 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 3fa3 h ARG 107 Cb 0.86 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 3fa3 h ARG 107 CO -0.11 0.46 -0.24 0.77 -1.07 0.00 0.00 179.97 179.77 3fa3 h SER 108 N 0.72 0.00 0.00 7.04 0.02 0.41 -3.46 113.55 118.27 3fa3 h SER 108 Ca 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.55 3fa3 h SER 108 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 3fa3 h SER 108 CO -0.41 0.24 0.00 0.61 -1.14 0.00 0.00 176.83 176.13 3fa3 n GLY 109 N -0.56 1.13 3.73 -3.77 0.00 -0.21 -4.78 105.19 100.74 3fa3 n GLY 109 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3fa3 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa3 s VAL 110 N -2.00 2.19 -0.01 1.61 1.01 -0.99 -4.48 120.40 117.74 3fa3 s VAL 110 Ca 0.00 0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 3fa3 s VAL 110 Cb 0.00 -3.10 -0.22 0.00 0.00 0.00 0.00 36.38 33.06 3fa3 s VAL 110 CO 0.00 0.02 1.11 0.00 0.00 0.00 0.00 175.10 176.23 3fa3 h ALA 111 N 5.83 0.08 -2.73 5.51 0.00 -1.22 -3.40 119.26 123.34 3fa3 h ALA 111 Ca -0.45 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 53.90 3fa3 h ALA 111 Cb 1.21 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.89 3fa3 h ALA 111 CO 0.87 0.24 -0.13 0.00 0.00 0.00 0.00 179.25 180.22 3fa3 s ALA 112 N -3.32 -0.67 0.17 0.00 0.00 -1.08 -0.35 121.76 116.51 3fa3 s ALA 112 Ca -0.14 -0.31 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 3fa3 s ALA 112 Cb 0.03 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.88 3fa3 s ALA 112 CO 0.79 -0.66 0.36 -0.59 0.00 0.00 0.00 175.76 175.66 3fa3 s PHE 113 N -3.86 0.21 -0.13 0.00 -0.12 -0.63 -0.73 117.98 112.73 3fa3 s PHE 113 Ca 0.07 -0.57 -0.00 0.00 -0.05 0.00 0.00 56.93 56.37 3fa3 s PHE 113 Cb 0.02 0.10 0.03 0.00 -0.63 0.00 0.00 43.02 42.54 3fa3 s PHE 113 CO -0.08 -0.78 -0.07 -3.38 -0.05 0.00 0.00 175.22 170.86 3fa3 s HIS 114 N -3.93 1.61 0.01 3.49 -3.43 -1.23 -1.04 115.29 110.76 3fa3 s HIS 114 Ca 0.14 -0.88 -0.04 0.00 -0.80 0.00 0.00 55.06 53.47 3fa3 s HIS 114 Cb 0.02 -1.29 -0.04 0.00 -1.43 0.00 0.00 32.58 29.84 3fa3 s HIS 114 CO -0.01 -0.56 0.23 0.42 -2.00 0.00 0.00 174.74 172.82 3fa3 s ILE 115 N 1.67 5.36 0.41 -5.38 1.01 -1.00 -3.06 121.20 120.21 3fa3 s ILE 115 Ca 0.04 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.72 3fa3 s ILE 115 Cb -0.13 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 3fa3 s ILE 115 CO -0.08 0.32 0.05 -1.83 0.00 0.00 0.00 174.94 173.40 3fa3 s GLU 116 N -1.92 1.93 -0.19 2.79 -1.05 -0.76 -0.64 118.70 118.86 3fa3 s GLU 116 Ca 0.28 -2.14 0.08 0.00 -0.15 0.00 0.00 54.97 53.04 3fa3 s GLU 116 Cb -0.13 -1.17 0.53 0.00 -0.44 0.00 0.00 34.13 32.92 3fa3 s GLU 116 CO 0.18 -0.26 1.40 -0.40 0.95 0.00 0.00 175.26 177.13 3fa3 n ASP 117 N -1.04 4.02 -4.95 0.83 5.68 -1.07 -4.76 116.55 115.26 3fa3 n ASP 117 Ca -0.08 -2.73 -0.23 0.00 -0.50 0.00 0.00 54.79 51.25 3fa3 n ASP 117 Cb 0.66 -0.65 0.04 0.00 -1.14 0.00 0.00 41.12 40.03 3fa3 n ASP 117 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3fa3 s GLN 118 N -2.18 2.61 0.74 0.11 -0.21 -1.26 -0.78 119.66 118.68 3fa3 s GLN 118 Ca 0.37 -0.54 -0.13 0.00 0.02 0.00 0.00 55.36 55.09 3fa3 s GLN 118 Cb 0.29 -2.41 0.04 0.00 1.00 0.00 0.00 33.01 31.93 3fa3 s GLN 118 CO 0.10 -0.74 1.12 0.14 -2.12 0.00 0.00 175.29 173.79 3fa3 s VAL 119 N -2.85 3.01 0.34 1.09 -7.23 -0.93 -4.51 120.40 109.32 3fa3 s VAL 119 Ca 0.56 0.40 0.09 0.00 -1.81 0.00 0.00 61.98 61.22 3fa3 s VAL 119 Cb -0.10 -2.85 0.32 0.00 0.56 0.00 0.00 36.38 34.31 3fa3 s VAL 119 CO 0.40 -0.36 1.80 -0.61 -0.31 0.00 0.00 175.10 176.02 3fa3 h GLN 120 N -0.69 0.65 -3.04 4.82 4.15 -1.93 -1.94 115.11 117.13 3fa3 h GLN 120 Ca -0.45 -0.04 -0.69 0.00 0.77 0.00 0.00 58.65 58.24 3fa3 h GLN 120 Cb 1.25 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 3fa3 h GLN 120 CO 0.51 0.43 3.55 0.25 -1.93 0.00 0.00 178.83 181.64 3fa3 n THR 121 N -4.69 4.40 -1.55 2.39 -2.24 -1.26 -4.74 114.28 106.58 3fa3 n THR 121 Ca 0.22 -2.92 -0.31 0.00 -2.27 0.00 0.00 64.05 58.78 3fa3 n THR 121 Cb 0.62 -2.53 0.07 0.00 -2.10 0.00 0.00 70.33 66.39 3fa3 n THR 121 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3fa3 s LYS 122 N 1.71 2.58 0.55 -0.78 0.00 -0.73 -4.87 119.74 118.20 3fa3 s LYS 122 Ca 0.65 0.85 0.03 0.00 0.00 0.00 0.00 55.97 57.50 3fa3 s LYS 122 Cb 0.18 -1.96 0.03 0.00 0.00 0.00 0.00 37.83 36.08 3fa3 s LYS 122 CO -0.07 -1.32 0.26 -0.98 0.00 0.00 0.00 175.35 173.24 3fa3 s ARG 123 N -5.08 2.23 0.45 1.78 1.70 -1.26 -2.40 118.95 116.37 3fa3 s ARG 123 Ca 0.59 -2.21 -0.25 0.00 -0.47 0.00 0.00 55.73 53.39 3fa3 s ARG 123 Cb -0.14 -1.86 -0.08 0.00 -0.57 0.00 0.00 34.95 32.30 3fa3 s ARG 123 CO 0.55 -0.57 1.32 0.00 -1.08 0.00 0.00 175.30 175.52 3fa3 h GLY 125 N 2.32 1.53 -4.47 0.00 0.00 -2.00 -2.86 103.07 97.58 3fa3 h GLY 125 Ca -0.50 -0.15 -0.66 0.00 0.00 0.00 0.00 47.33 46.02 3fa3 h GLY 125 CO 0.61 -0.30 0.85 1.42 0.00 0.00 0.00 176.54 179.13 3fa3 n HIS 126 N -5.08 2.74 -3.77 5.60 8.25 -1.26 -4.82 115.22 116.88 3fa3 n HIS 126 Ca 0.22 -2.47 -0.13 0.00 -0.26 0.00 0.00 57.72 55.09 3fa3 n HIS 126 Cb 0.68 -1.28 -0.10 0.00 1.12 0.00 0.00 29.99 30.40 3fa3 n HIS 126 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fa3 s LEU 127 N -3.53 0.82 0.57 2.41 1.02 -1.08 -4.85 118.68 114.04 3fa3 s LEU 127 Ca 0.55 0.50 -0.06 0.00 0.02 0.00 0.00 54.13 55.14 3fa3 s LEU 127 Cb 0.44 1.11 -0.01 0.00 0.02 0.00 0.00 46.19 47.75 3fa3 s LEU 127 CO -0.22 -0.19 0.89 0.00 0.02 0.00 0.00 176.35 176.85 3fa3 s ALA 128 N -0.18 3.29 0.00 4.21 0.00 -1.26 -4.39 121.76 123.43 3fa3 s ALA 128 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3fa3 s ALA 128 Cb -0.03 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.43 3fa3 s ALA 128 CO 0.01 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.51 3fa3 n GLY 129 N -2.52 0.65 3.71 0.00 0.00 -1.26 -5.00 105.19 100.76 3fa3 n GLY 129 Ca 0.04 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3fa3 n GLY 129 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fa3 n LYS 130 N -2.70 1.14 -4.00 1.61 5.02 -1.26 -5.02 118.16 112.94 3fa3 n LYS 130 Ca 0.00 0.44 -0.31 0.00 -2.02 0.00 0.00 58.31 56.42 3fa3 n LYS 130 Cb 0.00 -2.47 -0.16 0.00 -0.02 0.00 0.00 35.03 32.39 3fa3 n LYS 130 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fa3 s ILE 131 N -1.40 1.75 0.64 -0.18 -1.09 -1.26 -4.95 121.20 114.71 3fa3 s ILE 131 Ca 0.80 -1.21 -0.00 0.00 -2.23 0.00 0.00 60.65 58.01 3fa3 s ILE 131 Cb -0.39 -1.87 0.08 0.00 -1.58 0.00 0.00 42.46 38.69 3fa3 s ILE 131 CO 0.42 0.07 0.89 -0.76 -1.23 0.00 0.00 174.94 174.33 3fa3 s LEU 132 N 1.32 3.10 0.26 2.97 1.43 -1.26 -2.20 118.68 124.30 3fa3 s LEU 132 Ca -0.04 -0.14 0.11 0.00 -1.03 0.00 0.00 54.13 53.03 3fa3 s LEU 132 Cb -0.18 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 3fa3 s LEU 132 CO -0.07 -1.51 -0.14 0.54 0.23 0.00 0.00 176.35 175.40 3fa3 s VAL 133 N -2.97 2.77 0.95 -1.59 0.11 0.04 -4.41 120.40 115.30 3fa3 s VAL 133 Ca 0.62 -2.19 -0.12 0.00 -2.93 0.00 0.00 61.98 57.36 3fa3 s VAL 133 Cb -0.08 -2.45 0.16 0.00 -1.53 0.00 0.00 36.38 32.48 3fa3 s VAL 133 CO 0.42 -0.35 1.09 1.51 -3.33 0.00 0.00 175.10 174.44 3fa3 s ASP 134 N -3.43 2.96 0.32 3.54 3.84 -1.26 -4.74 116.67 117.90 3fa3 s ASP 134 Ca 0.29 1.43 0.06 0.00 -0.00 0.00 0.00 52.55 54.33 3fa3 s ASP 134 Cb -0.06 -2.10 0.73 0.00 -1.38 0.00 0.00 42.92 40.11 3fa3 s ASP 134 CO 0.16 -2.95 1.83 0.74 -0.00 0.00 0.00 175.17 174.95 3fa3 h THR 135 N -1.77 0.82 0.14 2.11 2.02 -1.99 -2.71 112.91 111.53 3fa3 h THR 135 Ca -0.52 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 3fa3 h THR 135 Cb 1.30 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3fa3 h THR 135 CO 0.55 0.14 -0.11 0.44 0.37 0.00 0.00 175.52 176.91 3fa3 h ASP 136 N 0.79 -0.28 -0.05 4.18 3.32 -1.99 0.26 116.42 122.65 3fa3 h ASP 136 Ca 0.50 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.57 3fa3 h ASP 136 Cb 0.72 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 3fa3 h ASP 136 CO -0.27 -0.17 0.02 0.74 -1.72 0.00 0.00 179.24 177.85 3fa3 h THR 137 N -0.26 1.11 -0.77 0.35 2.02 -1.86 0.25 112.91 113.75 3fa3 h THR 137 Ca -0.01 -0.32 0.16 0.00 0.77 0.00 0.00 66.41 67.01 3fa3 h THR 137 Cb 0.23 1.23 -0.10 0.00 -1.74 0.00 0.00 68.15 67.77 3fa3 h THR 137 CO -0.01 0.09 0.28 0.22 0.37 0.00 0.00 175.52 176.48 3fa3 h TYR 138 N -0.04 0.47 -0.41 3.16 3.20 -1.18 -0.79 116.97 121.39 3fa3 h TYR 138 Ca 0.02 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 3fa3 h TYR 138 Cb 0.13 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3fa3 h TYR 138 CO -0.03 0.01 -0.22 0.28 -1.64 0.00 0.00 178.16 176.56 3fa3 h VAL 139 N 0.40 1.27 -0.26 1.81 2.07 0.54 -2.13 116.25 119.94 3fa3 h VAL 139 Ca 0.43 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.67 3fa3 h VAL 139 Cb 0.70 1.20 -0.08 0.00 -1.52 0.00 0.00 31.29 31.59 3fa3 h VAL 139 CO -0.44 0.45 -0.34 0.74 0.02 0.00 0.00 177.57 178.00 3fa3 h THR 140 N 0.71 0.24 -0.78 2.57 2.02 0.71 0.90 112.91 119.28 3fa3 h THR 140 Ca 0.10 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.46 3fa3 h THR 140 Cb 0.75 0.24 -0.12 0.00 -1.74 0.00 0.00 68.15 67.27 3fa3 h THR 140 CO 0.06 0.00 0.17 0.03 0.37 0.00 0.00 175.52 176.15 3fa3 h ARG 141 N -0.34 0.22 -0.25 6.66 3.08 -0.86 -0.78 114.38 122.12 3fa3 h ARG 141 Ca 0.13 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 3fa3 h ARG 141 Cb 0.55 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3fa3 h ARG 141 CO -0.45 0.15 -0.05 0.82 -1.07 0.00 0.00 179.97 179.37 3fa3 h ILE 142 N 0.23 1.28 -0.65 2.04 1.08 -0.60 -2.91 117.51 117.97 3fa3 h ILE 142 Ca 0.45 -1.04 -0.00 0.00 -0.39 0.00 0.00 64.86 63.88 3fa3 h ILE 142 Cb 0.82 1.45 -0.03 0.00 -3.07 0.00 0.00 36.82 35.98 3fa3 h ILE 142 CO -0.57 0.32 0.39 -0.09 -0.69 0.00 0.00 178.15 177.51 3fa3 h ARG 143 N 0.23 0.88 -0.99 2.37 2.43 -0.43 -2.55 114.38 116.33 3fa3 h ARG 143 Ca 0.07 -0.08 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3fa3 h ARG 143 Cb 0.51 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 29.81 3fa3 h ARG 143 CO 0.02 0.64 0.64 0.00 -1.51 0.00 0.00 179.97 179.76 3fa3 h ALA 144 N 1.20 1.44 0.00 2.80 0.00 -1.06 -1.72 119.26 121.91 3fa3 h ALA 144 Ca 0.23 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3fa3 h ALA 144 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3fa3 h ALA 144 CO -0.04 0.41 -0.42 0.00 0.00 0.00 0.00 179.25 179.19 3fa3 h ALA 145 N 1.47 1.19 0.19 0.00 0.00 -1.26 -2.13 119.26 118.71 3fa3 h ALA 145 Ca 0.43 -0.39 -0.35 0.00 0.00 0.00 0.00 54.91 54.61 3fa3 h ALA 145 Cb 0.20 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3fa3 h ALA 145 CO -0.17 0.53 -1.72 0.28 0.00 0.00 0.00 179.25 178.17 3fa3 h VAL 146 N 0.00 0.98 0.13 0.00 2.07 -1.20 0.16 116.25 118.39 3fa3 h VAL 146 Ca -0.00 -2.55 -0.01 0.00 0.82 0.00 0.00 66.70 64.96 3fa3 h VAL 146 Cb 0.81 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 3fa3 h VAL 146 CO 0.06 0.85 -0.06 1.56 0.02 0.00 0.00 177.57 179.99 3fa3 h GLN 147 N 0.11 -0.17 -0.98 1.57 4.20 -1.41 -2.62 115.11 115.82 3fa3 h GLN 147 Ca -0.33 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.47 3fa3 h GLN 147 Cb 2.10 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 29.85 3fa3 h GLN 147 CO 0.19 0.18 0.62 0.00 -0.67 0.00 0.00 178.83 179.15 3fa3 h ALA 148 N 0.22 1.39 -0.20 3.87 0.00 -1.44 -0.51 119.26 122.59 3fa3 h ALA 148 Ca -0.02 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3fa3 h ALA 148 Cb 0.44 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3fa3 h ALA 148 CO 0.03 0.34 0.00 -0.09 0.00 0.00 0.00 179.25 179.53 3fa3 h ARG 149 N 1.08 0.07 0.09 0.00 2.43 -0.68 -3.24 114.38 114.13 3fa3 h ARG 149 Ca 0.44 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.60 3fa3 h ARG 149 Cb 0.27 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3fa3 h ARG 149 CO -0.21 0.04 -0.04 1.96 -1.51 0.00 0.00 179.97 180.22 3fa3 h GLN 150 N 0.07 -0.12 -0.16 0.20 4.20 -0.99 -2.55 115.11 115.76 3fa3 h GLN 150 Ca 0.09 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.86 3fa3 h GLN 150 Cb 0.11 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3fa3 h GLN 150 CO -0.16 0.39 0.78 -2.13 -0.67 0.00 0.00 178.83 177.04 3fa3 n ARG 151 N -4.88 0.02 0.00 1.46 0.63 -0.26 -0.65 116.66 112.98 3fa3 n ARG 151 Ca -0.08 0.71 0.01 0.00 -0.92 0.00 0.00 57.85 57.57 3fa3 n ARG 151 Cb 0.28 -1.90 0.01 0.00 0.45 0.00 0.00 32.46 31.30 3fa3 n ARG 151 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3fa3 n ILE 152 N -2.14 0.00 -0.94 5.15 -5.35 -1.14 -5.02 119.36 109.92 3fa3 n ILE 152 Ca 0.04 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 3fa3 n ILE 152 Cb 0.83 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.76 3fa3 n ILE 152 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fa3 n GLY 153 N 0.18 0.44 3.74 3.28 0.00 0.18 -5.03 105.19 107.98 3fa3 n GLY 153 Ca 0.01 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 3fa3 n GLY 153 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fa3 s SER 154 N -2.91 6.58 0.00 1.61 0.15 -0.97 -4.98 113.70 113.17 3fa3 s SER 154 Ca 0.00 0.68 0.27 0.00 0.70 0.00 0.00 55.95 57.60 3fa3 s SER 154 Cb 0.00 -2.23 0.91 0.00 -1.71 0.00 0.00 66.02 62.99 3fa3 s SER 154 CO 0.00 0.10 1.67 0.47 1.20 0.00 0.00 173.24 176.68 3fa3 n ASP 155 N 3.34 0.57 -3.36 5.45 8.00 -1.26 -4.61 116.55 124.68 3fa3 n ASP 155 Ca -0.10 -0.44 -0.46 0.00 0.71 0.00 0.00 54.79 54.49 3fa3 n ASP 155 Cb 0.52 0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.57 3fa3 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa3 n ILE 156 N -1.08 0.00 -2.74 0.53 3.06 -1.26 -4.78 119.36 113.08 3fa3 n ILE 156 Ca 0.11 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.93 3fa3 n ILE 156 Cb 0.32 -0.18 -0.03 0.00 0.54 0.00 0.00 39.64 40.29 3fa3 n ILE 156 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3fa3 s VAL 157 N 1.10 4.76 -0.12 9.51 1.01 0.53 -4.94 120.40 132.24 3fa3 s VAL 157 Ca 0.71 1.89 -0.22 0.00 0.00 0.00 0.00 61.98 64.36 3fa3 s VAL 157 Cb -1.01 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.09 3fa3 s VAL 157 CO 0.51 -0.09 0.67 -0.69 0.00 0.00 0.00 175.10 175.50 3fa3 s VAL 158 N 2.69 5.04 -0.19 2.92 1.01 -1.26 -1.60 120.40 129.00 3fa3 s VAL 158 Ca 0.43 1.34 -0.01 0.00 0.00 0.00 0.00 61.98 63.74 3fa3 s VAL 158 Cb -0.16 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.23 3fa3 s VAL 158 CO 0.10 0.20 -0.14 -0.63 0.00 0.00 0.00 175.10 174.62 3fa3 s ILE 159 N 1.23 2.55 -0.23 2.22 1.01 -0.21 0.54 121.20 128.31 3fa3 s ILE 159 Ca 0.34 -0.78 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 3fa3 s ILE 159 Cb -0.17 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 3fa3 s ILE 159 CO 0.14 0.50 0.15 0.00 0.00 0.00 0.00 174.94 175.73 3fa3 s ALA 160 N 1.31 3.62 -0.02 9.38 0.00 -0.71 -2.37 121.76 132.97 3fa3 s ALA 160 Ca 0.04 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.21 3fa3 s ALA 160 Cb -0.14 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 3fa3 s ALA 160 CO -0.09 -0.12 -0.19 0.50 0.00 0.00 0.00 175.76 175.87 3fa3 s ARG 161 N 0.92 2.27 -0.03 0.00 3.52 0.19 -0.98 118.95 124.83 3fa3 s ARG 161 Ca 0.08 -0.84 0.05 0.00 -0.13 0.00 0.00 55.73 54.88 3fa3 s ARG 161 Cb -0.13 -2.23 -0.01 0.00 -1.56 0.00 0.00 34.95 31.03 3fa3 s ARG 161 CO 0.03 0.58 -0.18 -0.08 -0.81 0.00 0.00 175.30 174.85 3fa3 s THR 162 N -0.75 1.44 -0.20 4.11 -1.32 -0.76 -2.58 115.64 115.58 3fa3 s THR 162 Ca 0.12 -0.74 0.17 0.00 -1.21 0.00 0.00 61.69 60.03 3fa3 s THR 162 Cb -0.10 -1.22 0.47 0.00 -1.51 0.00 0.00 72.50 70.13 3fa3 s THR 162 CO 0.01 0.41 1.35 0.47 -2.21 0.00 0.00 174.62 174.66 3fa3 n ASP 163 N 2.98 3.51 0.13 8.08 8.00 -1.26 -2.21 116.55 135.78 3fa3 n ASP 163 Ca -0.17 -2.98 0.02 0.00 0.71 0.00 0.00 54.79 52.36 3fa3 n ASP 163 Cb 0.53 -0.50 0.02 0.00 -0.02 0.00 0.00 41.12 41.15 3fa3 n ASP 163 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3fa3 h SER 164 N 1.41 0.00 -0.42 -2.24 4.64 -1.93 -3.33 113.55 111.68 3fa3 h SER 164 Ca 0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3fa3 h SER 164 Cb 1.31 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.31 3fa3 h SER 164 CO 0.17 0.55 -0.22 0.25 -0.87 0.00 0.00 176.83 176.70 3fa3 h LEU 165 N 0.00 -0.76 -1.18 5.97 5.85 -1.82 0.98 115.31 124.35 3fa3 h LEU 165 Ca -0.01 0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 3fa3 h LEU 165 Cb 1.41 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 42.83 3fa3 h LEU 165 CO 0.07 -0.25 -0.24 0.06 -0.34 0.00 0.00 178.44 177.74 3fa3 h GLN 166 N -0.15 0.26 0.00 1.25 3.07 -1.89 -3.07 115.11 114.59 3fa3 h GLN 166 Ca 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 58.65 58.85 3fa3 h GLN 166 Cb 0.46 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.00 3fa3 h GLN 166 CO -0.51 0.50 -0.18 1.15 0.09 0.00 0.00 178.83 179.88 3fa3 h THR 167 N 0.24 0.00 0.00 1.86 2.02 -1.63 -3.44 112.91 111.96 3fa3 h THR 167 Ca 0.04 -0.46 -0.15 0.00 0.77 0.00 0.00 66.41 66.61 3fa3 h THR 167 Cb 0.57 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 3fa3 h THR 167 CO 0.04 0.00 -1.14 0.45 0.37 0.00 0.00 175.52 175.24 3fa3 h HIS 168 N -0.46 0.00 0.00 3.16 3.86 0.87 -3.50 115.15 119.07 3fa3 h HIS 168 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3fa3 h HIS 168 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3fa3 h HIS 168 CO -0.08 0.58 0.00 0.41 0.86 0.00 0.00 177.93 179.70 3fa3 n GLY 169 N 1.35 3.13 0.33 2.45 0.00 -1.16 -4.76 105.19 106.52 3fa3 n GLY 169 Ca -0.06 -1.98 -0.06 0.00 0.00 0.00 0.00 46.02 43.92 3fa3 n GLY 169 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fa3 h TYR 170 N 0.00 1.12 -0.61 1.61 3.20 -1.91 -2.38 116.97 118.00 3fa3 h TYR 170 Ca 0.00 -0.11 0.13 0.00 3.14 0.00 0.00 58.73 61.89 3fa3 h TYR 170 Cb 0.00 -0.33 -0.10 0.00 1.54 0.00 0.00 36.73 37.84 3fa3 h TYR 170 CO 0.00 0.89 -0.00 0.93 -1.64 0.00 0.00 178.16 178.34 3fa3 h GLU 171 N 1.04 0.11 -0.70 1.82 4.39 -1.97 -1.94 114.58 117.34 3fa3 h GLU 171 Ca 0.23 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.85 3fa3 h GLU 171 Cb 0.30 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3fa3 h GLU 171 CO -0.01 0.07 0.16 1.49 -1.16 0.00 0.00 179.01 179.56 3fa3 h GLU 172 N 0.12 1.12 -0.75 2.33 4.57 -1.73 -2.74 114.58 117.50 3fa3 h GLU 172 Ca 0.31 -0.28 0.04 0.00 -1.18 0.00 0.00 59.36 58.25 3fa3 h GLU 172 Cb 0.51 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.90 3fa3 h GLU 172 CO -0.52 1.00 0.47 0.66 -1.18 0.00 0.00 179.01 179.44 3fa3 h SER 173 N 1.06 0.77 -0.01 1.04 4.64 -1.06 -2.06 113.55 117.92 3fa3 h SER 173 Ca 0.22 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3fa3 h SER 173 Cb 0.39 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3fa3 h SER 173 CO 0.00 0.52 -0.00 0.58 -0.87 0.00 0.00 176.83 177.07 3fa3 h VAL 174 N 0.91 1.25 -0.42 0.95 2.07 -1.26 -2.47 116.25 117.27 3fa3 h VAL 174 Ca 0.31 -0.74 0.09 0.00 0.82 0.00 0.00 66.70 67.17 3fa3 h VAL 174 Cb 0.05 1.73 -0.09 0.00 -1.52 0.00 0.00 31.29 31.46 3fa3 h VAL 174 CO -0.12 0.19 -0.26 0.00 0.02 0.00 0.00 177.57 177.41 3fa3 h ALA 175 N 0.69 -0.00 -0.60 1.67 0.00 -1.24 0.10 119.26 119.88 3fa3 h ALA 175 Ca 0.00 0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.17 3fa3 h ALA 175 Cb 0.32 0.59 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 3fa3 h ALA 175 CO 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 179.25 178.62 3fa3 h ARG 176 N -0.18 0.11 -0.42 0.00 3.08 -1.25 0.43 114.38 116.16 3fa3 h ARG 176 Ca 0.20 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 3fa3 h ARG 176 Cb 0.49 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3fa3 h ARG 176 CO -0.53 0.07 -0.06 -0.07 -1.07 0.00 0.00 179.97 178.32 3fa3 h LEU 177 N 0.12 0.68 0.46 3.04 3.38 -0.38 0.59 115.31 123.20 3fa3 h LEU 177 Ca 0.31 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3fa3 h LEU 177 Cb 0.50 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3fa3 h LEU 177 CO -0.52 0.79 -0.23 0.03 0.09 0.00 0.00 178.44 178.61 3fa3 h ARG 178 N 0.65 -0.60 -0.94 1.13 3.08 0.22 0.29 114.38 118.22 3fa3 h ARG 178 Ca 0.12 0.04 0.22 0.00 0.07 0.00 0.00 59.98 60.44 3fa3 h ARG 178 Cb 0.50 0.14 -0.17 0.00 0.08 0.00 0.00 29.97 30.51 3fa3 h ARG 178 CO 0.03 -0.40 -0.08 0.00 -1.07 0.00 0.00 179.97 178.44 3fa3 h ALA 179 N -0.08 0.89 -0.07 0.04 0.00 0.94 0.36 119.26 121.33 3fa3 h ALA 179 Ca -0.06 0.34 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 3fa3 h ALA 179 Cb 0.48 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3fa3 h ALA 179 CO 0.10 -0.47 -0.74 0.00 0.00 0.00 0.00 179.25 178.13 3fa3 h ALA 180 N 1.93 0.58 0.23 0.00 0.00 -0.62 -2.35 119.26 119.03 3fa3 h ALA 180 Ca 0.51 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3fa3 h ALA 180 Cb 0.93 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3fa3 h ALA 180 CO -0.91 0.77 -0.17 -0.09 0.00 0.00 0.00 179.25 178.85 3fa3 h ARG 181 N 0.27 -0.39 0.00 0.00 2.43 0.19 -0.73 114.38 116.15 3fa3 h ARG 181 Ca -0.03 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3fa3 h ARG 181 Cb 1.32 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 3fa3 h ARG 181 CO 0.13 -0.26 0.00 -0.25 -1.51 0.00 0.00 179.97 178.07 3fa3 n ASP 182 N -5.30 0.00 -0.00 -3.80 8.00 0.10 -0.75 116.55 114.80 3fa3 n ASP 182 Ca -0.09 -0.61 0.02 0.00 0.71 0.00 0.00 54.79 54.83 3fa3 n ASP 182 Cb 0.21 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.27 3fa3 n ASP 182 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa3 n ALA 183 N -0.57 2.18 0.00 2.24 0.00 -0.42 -5.00 120.51 118.94 3fa3 n ALA 183 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3fa3 n ALA 183 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3fa3 n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 184 N 2.22 1.36 3.76 0.00 0.00 0.07 -4.71 105.19 107.88 3fa3 n GLY 184 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3fa3 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 s ALA 185 N -2.00 3.53 -0.55 4.61 0.00 -0.60 -4.90 121.76 121.84 3fa3 s ALA 185 Ca 0.00 1.23 0.25 0.00 0.00 0.00 0.00 51.96 53.44 3fa3 s ALA 185 Cb 0.00 -3.49 0.62 0.00 0.00 0.00 0.00 23.12 20.24 3fa3 s ALA 185 CO 0.00 -0.62 1.70 -0.44 0.00 0.00 0.00 175.76 176.40 3fa3 h ASP 186 N 4.24 0.00 -4.73 0.00 5.19 -0.25 -3.43 116.42 117.45 3fa3 h ASP 186 Ca -0.47 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 55.83 3fa3 h ASP 186 Cb 1.22 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 40.52 3fa3 h ASP 186 CO 0.71 0.00 -0.17 -0.69 -3.12 0.00 0.00 179.24 175.97 3fa3 s VAL 187 N -3.18 0.03 0.06 -1.35 1.01 -1.02 -4.48 120.40 111.47 3fa3 s VAL 187 Ca 0.08 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.86 3fa3 s VAL 187 Cb 0.09 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 3fa3 s VAL 187 CO 0.62 -0.15 -0.14 -0.83 0.00 0.00 0.00 175.10 174.61 3fa3 s GLY 188 N -0.93 1.67 -0.30 4.51 0.00 -0.29 -1.74 107.32 110.24 3fa3 s GLY 188 Ca -0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 44.72 43.41 3fa3 s GLY 188 CO 0.04 -1.10 0.14 -0.12 0.00 0.00 0.00 173.10 172.06 3fa3 s PHE 189 N -1.03 0.67 -0.61 1.90 5.99 -0.15 -0.91 117.98 123.84 3fa3 s PHE 189 Ca 0.17 -1.17 -0.16 0.00 0.00 0.00 0.00 56.93 55.77 3fa3 s PHE 189 Cb -0.11 -1.08 0.14 0.00 0.00 0.00 0.00 43.02 41.98 3fa3 s PHE 189 CO 0.08 -0.84 0.60 -1.17 -0.00 0.00 0.00 175.22 173.90 3fa3 s LEU 190 N 1.84 6.12 0.34 6.12 0.20 -1.26 -1.83 118.68 130.21 3fa3 s LEU 190 Ca 0.10 -1.90 -0.29 0.00 0.69 0.00 0.00 54.13 52.74 3fa3 s LEU 190 Cb -0.17 -2.23 -0.11 0.00 -0.43 0.00 0.00 46.19 43.25 3fa3 s LEU 190 CO -0.29 -0.86 1.42 -0.70 -0.29 0.00 0.00 176.35 175.63 3fa3 s GLU 191 N 1.56 4.22 -0.20 1.98 2.56 -0.94 -3.75 118.70 124.13 3fa3 s GLU 191 Ca 0.08 2.41 -0.01 0.00 0.00 0.00 0.00 54.97 57.45 3fa3 s GLU 191 Cb -0.25 -3.03 0.00 0.00 2.00 0.00 0.00 34.13 32.86 3fa3 s GLU 191 CO 0.01 -0.40 0.11 0.41 -0.56 0.00 0.00 175.26 174.83 3fa3 n GLY 192 N 0.92 0.60 3.67 -1.50 0.00 -1.26 -4.75 105.19 102.87 3fa3 n GLY 192 Ca 0.02 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 3fa3 n GLY 192 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa3 n ILE 193 N -3.19 0.64 0.41 -0.61 5.41 -1.25 -4.86 119.36 115.91 3fa3 n ILE 193 Ca -0.01 -0.12 0.12 0.00 1.00 0.00 0.00 62.75 63.74 3fa3 n ILE 193 Cb 0.51 -2.27 0.10 0.00 -0.71 0.00 0.00 39.64 37.28 3fa3 n ILE 193 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3fa3 h THR 194 N 5.32 0.00 -3.96 1.39 2.02 -1.94 -3.32 112.91 112.43 3fa3 h THR 194 Ca -0.49 -0.67 -0.12 0.00 0.77 0.00 0.00 66.41 65.91 3fa3 h THR 194 Cb 1.23 1.21 -0.12 0.00 -1.74 0.00 0.00 68.15 68.74 3fa3 h THR 194 CO 0.94 0.00 -0.31 -0.94 0.37 0.00 0.00 175.52 175.58 3fa3 s SER 195 N -4.63 0.02 0.24 4.18 1.04 -1.26 -4.70 113.70 108.60 3fa3 s SER 195 Ca 0.04 -1.01 -0.06 0.00 0.48 0.00 0.00 55.95 55.40 3fa3 s SER 195 Cb 0.12 0.48 0.25 0.00 0.10 0.00 0.00 66.02 66.97 3fa3 s SER 195 CO 0.75 -0.97 1.87 0.03 0.98 0.00 0.00 173.24 175.90 3fa3 h ARG 196 N 2.45 1.22 -0.11 4.02 -0.00 -1.93 -2.68 114.38 117.35 3fa3 h ARG 196 Ca -0.31 -0.14 -0.07 0.00 -0.50 0.00 0.00 59.98 58.97 3fa3 h ARG 196 Cb 1.24 -0.24 -0.01 0.00 0.00 0.00 0.00 29.97 30.96 3fa3 h ARG 196 CO 0.45 0.89 -0.25 1.05 0.00 0.00 0.00 179.97 182.10 3fa3 h GLU 197 N 1.23 0.20 0.00 0.04 -0.00 -2.01 -1.44 114.58 112.60 3fa3 h GLU 197 Ca 0.31 -0.06 -0.03 0.00 -0.00 0.00 0.00 59.36 59.58 3fa3 h GLU 197 Cb 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 28.75 28.74 3fa3 h GLU 197 CO -0.05 0.45 -0.15 1.98 -0.00 0.00 0.00 179.01 181.24 3fa3 h MET 198 N 0.18 0.00 0.02 1.06 4.05 -1.90 -3.07 114.93 115.27 3fa3 h MET 198 Ca 0.03 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 3fa3 h MET 198 Cb 0.55 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 3fa3 h MET 198 CO 0.04 0.15 -0.01 0.00 0.23 0.00 0.00 176.91 177.32 3fa3 h ALA 199 N 1.85 -0.03 -0.83 0.39 0.00 -0.93 -1.77 119.26 117.95 3fa3 h ALA 199 Ca -0.00 -0.35 0.15 0.00 0.00 0.00 0.00 54.91 54.71 3fa3 h ALA 199 Cb 0.72 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.42 3fa3 h ALA 199 CO 0.02 -0.05 0.39 0.00 0.00 0.00 0.00 179.25 179.61 3fa3 h ARG 200 N -0.95 0.52 -0.22 0.00 3.08 -1.64 -2.20 114.38 112.96 3fa3 h ARG 200 Ca -0.00 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.07 3fa3 h ARG 200 Cb 0.71 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.57 3fa3 h ARG 200 CO 0.00 0.34 -0.28 0.37 -1.07 0.00 0.00 179.97 179.34 3fa3 h GLN 201 N 0.54 -0.29 -0.65 0.04 5.75 -1.57 -2.03 115.11 116.90 3fa3 h GLN 201 Ca 0.46 0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.93 3fa3 h GLN 201 Cb 0.70 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.29 3fa3 h GLN 201 CO -0.40 -0.19 0.21 -0.39 -2.65 0.00 0.00 178.83 175.41 3fa3 h VAL 202 N -0.30 1.25 0.00 2.39 -1.51 -0.71 -1.67 116.25 115.69 3fa3 h VAL 202 Ca 0.13 -0.85 -0.04 0.00 -1.23 0.00 0.00 66.70 64.71 3fa3 h VAL 202 Cb 0.50 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 30.23 3fa3 h VAL 202 CO -0.39 0.33 -0.18 0.40 -1.23 0.00 0.00 177.57 176.50 3fa3 h ILE 203 N 0.94 0.46 0.00 7.19 2.04 -1.29 -0.87 117.51 125.98 3fa3 h ILE 203 Ca 0.21 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3fa3 h ILE 203 Cb 0.29 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3fa3 h ILE 203 CO -0.01 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.32 3fa3 n GLN 204 N -3.36 0.00 0.21 2.37 6.02 -0.78 -3.05 117.38 118.79 3fa3 n GLN 204 Ca 0.00 0.17 0.03 0.00 -0.01 0.00 0.00 57.00 57.18 3fa3 n GLN 204 Cb 0.39 -0.97 0.16 0.00 1.02 0.00 0.00 30.24 30.84 3fa3 n GLN 204 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3fa3 h ASP 205 N 0.00 0.00 -1.08 1.08 3.32 -0.95 0.37 116.42 119.17 3fa3 h ASP 205 Ca 0.00 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.63 3fa3 h ASP 205 Cb 0.00 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.14 3fa3 h ASP 205 CO 0.00 0.00 -1.04 0.18 -1.72 0.00 0.00 179.24 176.66 3fa3 n LEU 206 N -2.08 2.56 -4.74 1.55 4.77 -0.36 -5.06 117.00 113.64 3fa3 n LEU 206 Ca -0.00 -4.12 -0.35 0.00 -0.03 0.00 0.00 56.01 51.50 3fa3 n LEU 206 Cb 0.67 0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.96 3fa3 n LEU 206 CO 0.03 1.73 0.82 0.00 -1.33 0.00 0.00 177.39 178.63 3fa3 s ALA 207 N -3.33 2.33 0.00 -1.18 0.00 0.13 -2.85 121.76 116.86 3fa3 s ALA 207 Ca 0.34 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.22 3fa3 s ALA 207 Cb 0.43 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 20.09 3fa3 s ALA 207 CO -0.03 -1.53 0.00 0.41 0.00 0.00 0.00 175.76 174.60 3fa3 n GLY 208 N 0.38 2.05 3.34 0.00 0.00 -1.26 -4.94 105.19 104.76 3fa3 n GLY 208 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 3fa3 n GLY 208 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fa3 s TRP 209 N -1.29 3.25 0.12 1.61 -0.00 -1.13 -5.05 118.94 116.45 3fa3 s TRP 209 Ca 0.00 -1.16 -0.33 0.00 -0.00 0.00 0.00 56.10 54.61 3fa3 s TRP 209 Cb 0.00 -3.57 -0.18 0.00 -0.00 0.00 0.00 33.47 29.72 3fa3 s TRP 209 CO 0.00 -0.94 0.77 -2.30 -0.00 0.00 0.00 176.95 174.48 3fa3 n PRO 210 N 5.23 0.04 -4.43 5.86 -0.02 -1.26 -4.65 135.00 135.77 3fa3 n PRO 210 Ca -0.13 0.02 -0.25 0.00 -2.02 0.00 0.00 63.50 61.11 3fa3 n PRO 210 Cb 0.41 -1.24 -0.10 0.00 -0.02 0.00 0.00 33.50 32.55 3fa3 n PRO 210 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fa3 s LEU 211 N 1.68 2.62 -0.00 2.45 1.43 -1.26 -1.14 118.68 124.46 3fa3 s LEU 211 Ca 0.75 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 3fa3 s LEU 211 Cb -1.07 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 3fa3 s LEU 211 CO 0.56 0.06 -0.08 -0.22 0.23 0.00 0.00 176.35 176.90 3fa3 s LEU 212 N -3.28 2.04 -0.06 1.79 0.20 -0.09 0.14 118.68 119.42 3fa3 s LEU 212 Ca 0.28 -0.18 0.04 0.00 0.69 0.00 0.00 54.13 54.96 3fa3 s LEU 212 Cb -0.06 -0.40 -0.00 0.00 -0.43 0.00 0.00 46.19 45.30 3fa3 s LEU 212 CO 0.14 0.08 -0.20 -0.22 -0.29 0.00 0.00 176.35 175.86 3fa3 s LEU 213 N -0.31 1.96 -0.78 -0.68 2.96 -0.59 -4.22 118.68 117.02 3fa3 s LEU 213 Ca 0.02 -0.44 -0.15 0.00 -0.22 0.00 0.00 54.13 53.35 3fa3 s LEU 213 Cb -0.04 -1.16 0.19 0.00 0.50 0.00 0.00 46.19 45.69 3fa3 s LEU 213 CO -0.00 0.16 0.76 0.21 -1.32 0.00 0.00 176.35 176.15 3fa3 s ASN 214 N 0.16 6.64 -0.87 3.68 2.47 -1.26 -2.82 114.94 122.94 3fa3 s ASN 214 Ca -0.09 -2.45 -0.23 0.00 0.42 0.00 0.00 52.86 50.51 3fa3 s ASN 214 Cb -0.14 -2.23 0.07 0.00 -1.45 0.00 0.00 41.25 37.50 3fa3 s ASN 214 CO 0.05 -0.68 1.25 -0.32 -3.72 0.00 0.00 177.10 173.67 3fa3 s MET 215 N 0.70 3.42 -0.20 0.43 -2.45 -0.58 -4.90 119.30 115.72 3fa3 s MET 215 Ca 0.17 -1.05 0.01 0.00 -1.25 0.00 0.00 55.69 53.57 3fa3 s MET 215 Cb -0.13 -4.80 0.04 0.00 1.25 0.00 0.00 34.83 31.18 3fa3 s MET 215 CO -0.07 -2.02 -0.12 0.08 1.05 0.00 0.00 175.02 173.95 3fa3 s VAL 216 N 4.39 1.74 0.67 10.11 1.01 -1.26 -4.16 120.40 132.90 3fa3 s VAL 216 Ca 0.36 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 3fa3 s VAL 216 Cb -0.06 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3fa3 s VAL 216 CO -0.01 0.23 1.06 -1.61 0.00 0.00 0.00 175.10 174.77 3fa3 s GLU 217 N 1.37 3.08 -0.87 2.72 2.02 -1.26 -3.95 118.70 121.80 3fa3 s GLU 217 Ca -0.00 0.49 0.00 0.00 0.02 0.00 0.00 54.97 55.48 3fa3 s GLU 217 Cb -0.16 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.01 3fa3 s GLU 217 CO -0.09 -0.86 0.00 0.72 0.02 0.00 0.00 175.26 175.05 3fa3 n HIS 218 N -2.88 -1.47 0.00 1.61 8.25 -1.26 -4.82 115.22 114.64 3fa3 n HIS 218 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3fa3 n HIS 218 Cb 0.56 -2.42 0.00 0.00 1.12 0.00 0.00 29.99 29.26 3fa3 n HIS 218 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 219 N -0.72 1.31 0.02 -1.41 0.00 -1.25 -5.03 105.19 98.11 3fa3 n GLY 219 Ca -0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.01 3fa3 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 n ALA 220 N -3.00 2.84 -2.94 4.61 0.00 -1.26 -4.96 120.51 115.80 3fa3 n ALA 220 Ca 0.00 -0.51 -0.38 0.00 0.00 0.00 0.00 53.44 52.55 3fa3 n ALA 220 Cb 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 19.45 18.56 3fa3 n ALA 220 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fa3 s THR 221 N -3.50 4.43 0.60 0.00 2.01 -1.25 -4.43 115.64 113.50 3fa3 s THR 221 Ca -0.07 -0.55 -0.18 0.00 0.31 0.00 0.00 61.69 61.20 3fa3 s THR 221 Cb 0.14 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 3fa3 s THR 221 CO 0.90 0.03 1.15 -2.16 -0.69 0.00 0.00 174.62 173.85 3fa3 s PRO 222 N 1.57 3.03 0.11 4.92 0.04 -1.26 -4.62 135.00 138.79 3fa3 s PRO 222 Ca 0.04 1.63 -0.33 0.00 0.04 0.00 0.00 61.00 62.37 3fa3 s PRO 222 Cb -0.17 -1.96 -0.18 0.00 0.04 0.00 0.00 34.50 32.23 3fa3 s PRO 222 CO 0.05 -1.12 0.79 0.43 0.04 0.00 0.00 177.00 177.20 3fa3 n SER 223 N -1.75 -0.60 -3.73 6.66 7.64 -1.26 -4.94 113.62 115.64 3fa3 n SER 223 Ca 0.12 1.14 -0.12 0.00 1.01 0.00 0.00 58.87 61.02 3fa3 n SER 223 Cb 0.51 -0.95 -0.13 0.00 -1.01 0.00 0.00 64.21 62.63 3fa3 n SER 223 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3fa3 s ILE 224 N -0.53 -0.04 0.92 0.44 1.01 -1.26 -5.06 121.20 116.69 3fa3 s ILE 224 Ca 0.76 0.15 -0.11 0.00 0.00 0.00 0.00 60.65 61.45 3fa3 s ILE 224 Cb -1.07 -0.37 0.15 0.00 0.01 0.00 0.00 42.46 41.17 3fa3 s ILE 224 CO 0.56 0.06 1.11 -0.44 0.00 0.00 0.00 174.94 176.23 3fa3 s SER 225 N 1.25 2.99 0.05 3.58 0.01 -1.26 -4.82 113.70 115.51 3fa3 s SER 225 Ca -0.09 1.89 -0.26 0.00 1.31 0.00 0.00 55.95 58.80 3fa3 s SER 225 Cb -0.10 -2.45 -0.13 0.00 0.21 0.00 0.00 66.02 63.54 3fa3 s SER 225 CO -0.08 -3.00 1.40 0.00 0.41 0.00 0.00 173.24 171.96 3fa3 h ALA 226 N -1.80 -1.13 -0.94 1.44 0.00 -2.00 -1.72 119.26 113.11 3fa3 h ALA 226 Ca -0.47 -0.17 0.23 0.00 0.00 0.00 0.00 54.91 54.50 3fa3 h ALA 226 Cb 1.27 0.51 -0.12 0.00 0.00 0.00 0.00 17.79 19.45 3fa3 h ALA 226 CO 0.47 -1.12 0.48 0.00 0.00 0.00 0.00 179.25 179.08 3fa3 h ALA 227 N -1.31 1.57 -0.59 0.00 0.00 -1.98 -0.65 119.26 116.31 3fa3 h ALA 227 Ca -0.07 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3fa3 h ALA 227 Cb 0.68 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3fa3 h ALA 227 CO 0.04 -0.30 0.21 1.49 0.00 0.00 0.00 179.25 180.69 3fa3 h GLU 228 N 0.48 0.89 -0.37 0.00 4.81 -1.87 -1.85 114.58 116.67 3fa3 h GLU 228 Ca 0.59 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.61 3fa3 h GLU 228 Cb 1.11 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 3fa3 h GLU 228 CO -0.50 0.78 0.11 0.00 -0.73 0.00 0.00 179.01 178.67 3fa3 h ALA 229 N 1.07 0.49 -0.10 2.92 0.00 -0.66 -1.94 119.26 121.03 3fa3 h ALA 229 Ca 0.19 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3fa3 h ALA 229 Cb 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3fa3 h ALA 229 CO -0.01 0.15 0.20 -0.22 0.00 0.00 0.00 179.25 179.37 3fa3 h LYS 230 N 0.45 0.00 0.06 0.00 3.64 -0.37 0.47 116.57 120.82 3fa3 h LYS 230 Ca 0.12 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.18 3fa3 h LYS 230 Cb 0.28 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3fa3 h LYS 230 CO -0.00 0.00 -1.79 0.93 -2.27 0.00 0.00 179.45 176.32 3fa3 h GLU 231 N 0.00 0.12 -0.92 1.90 5.08 -1.22 -3.35 114.58 116.20 3fa3 h GLU 231 Ca 0.05 -0.21 0.27 0.00 -1.00 0.00 0.00 59.36 58.47 3fa3 h GLU 231 Cb 0.45 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 3fa3 h GLU 231 CO -0.00 0.82 0.82 0.52 -1.00 0.00 0.00 179.01 180.18 3fa3 h MET 232 N 0.03 0.00 0.00 2.33 2.86 0.67 -3.43 114.93 117.38 3fa3 h MET 232 Ca -0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 3fa3 h MET 232 Cb 2.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.68 3fa3 h MET 232 CO 0.09 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.47 3fa3 n GLY 233 N -1.67 0.90 3.75 8.32 0.00 -0.18 -4.84 105.19 111.47 3fa3 n GLY 233 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3fa3 n GLY 233 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa3 s PHE 234 N -2.00 2.37 -0.09 1.61 0.40 -1.06 -4.75 117.98 114.46 3fa3 s PHE 234 Ca 0.00 1.56 0.08 0.00 -0.60 0.00 0.00 56.93 57.97 3fa3 s PHE 234 Cb 0.00 -3.34 -0.11 0.00 0.51 0.00 0.00 43.02 40.07 3fa3 s PHE 234 CO 0.00 -2.11 0.03 0.54 0.70 0.00 0.00 175.22 174.38 3fa3 n ARG 235 N -2.30 2.38 -4.42 0.44 5.12 0.12 -4.56 116.66 113.43 3fa3 n ARG 235 Ca 0.12 -0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.84 3fa3 n ARG 235 Cb 0.51 -1.24 -0.15 0.00 -1.16 0.00 0.00 32.46 30.42 3fa3 n ARG 235 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3fa3 s ILE 236 N -2.23 0.81 -0.04 0.55 1.01 -0.09 -0.76 121.20 120.45 3fa3 s ILE 236 Ca -0.05 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.26 3fa3 s ILE 236 Cb 0.03 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 3fa3 s ILE 236 CO 0.38 0.24 -0.23 -0.51 0.00 0.00 0.00 174.94 174.82 3fa3 s ILE 237 N 0.01 1.83 0.27 2.92 2.07 0.04 -1.55 121.20 126.80 3fa3 s ILE 237 Ca -0.00 -0.96 0.08 0.00 -1.41 0.00 0.00 60.65 58.36 3fa3 s ILE 237 Cb -0.07 -1.55 -0.06 0.00 0.13 0.00 0.00 42.46 40.92 3fa3 s ILE 237 CO 0.00 0.52 -0.09 0.27 -1.91 0.00 0.00 174.94 173.73 3fa3 s ILE 238 N -0.21 1.80 -0.35 2.00 -4.36 -1.13 -1.54 121.20 117.41 3fa3 s ILE 238 Ca -0.00 -2.17 0.01 0.00 -0.26 0.00 0.00 60.65 58.22 3fa3 s ILE 238 Cb -0.12 -2.39 0.14 0.00 1.25 0.00 0.00 42.46 41.34 3fa3 s ILE 238 CO 0.02 -0.35 0.27 -0.36 0.24 0.00 0.00 174.94 174.77 3fa3 s PHE 239 N -2.91 0.28 0.15 1.37 0.40 -1.19 -1.53 117.98 114.54 3fa3 s PHE 239 Ca 0.29 -1.25 -0.25 0.00 -0.60 0.00 0.00 56.93 55.11 3fa3 s PHE 239 Cb 0.02 -0.70 -0.03 0.00 0.51 0.00 0.00 43.02 42.82 3fa3 s PHE 239 CO 0.12 -0.89 1.33 -2.30 0.70 0.00 0.00 175.22 174.19 3fa3 n PRO 240 N 4.20 -0.36 -1.32 0.24 -0.02 -1.26 -0.11 135.00 136.37 3fa3 n PRO 240 Ca 0.11 1.31 -0.32 0.00 -2.02 0.00 0.00 63.50 62.58 3fa3 n PRO 240 Cb 0.41 -1.93 0.10 0.00 -0.02 0.00 0.00 33.50 32.06 3fa3 n PRO 240 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3fa3 n PHE 241 N -5.11 3.17 0.10 6.00 3.01 -1.26 -4.19 117.46 119.18 3fa3 n PHE 241 Ca 0.03 -2.74 0.02 0.00 1.01 0.00 0.00 57.45 55.77 3fa3 n PHE 241 Cb 0.24 -1.31 0.36 0.00 -0.01 0.00 0.00 39.48 38.76 3fa3 n PHE 241 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fa3 h ALA 242 N 1.77 1.45 0.00 4.37 0.00 -1.60 -2.81 119.26 122.44 3fa3 h ALA 242 Ca 0.61 -0.23 -0.28 0.00 0.00 0.00 0.00 54.91 55.01 3fa3 h ALA 242 Cb 1.31 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3fa3 h ALA 242 CO 1.46 0.39 -1.96 0.00 0.00 0.00 0.00 179.25 179.13 3fa3 n ALA 243 N -2.49 1.82 -0.08 0.00 0.00 -1.17 -4.50 120.51 114.09 3fa3 n ALA 243 Ca -0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 53.44 52.65 3fa3 n ALA 243 Cb 0.29 0.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 3fa3 n ALA 243 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3fa3 h LEU 244 N -0.46 -1.15 0.28 0.00 6.46 -1.80 -1.04 115.31 117.60 3fa3 h LEU 244 Ca -0.42 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 3fa3 h LEU 244 Cb 1.43 0.51 -0.04 0.00 -0.73 0.00 0.00 40.66 41.84 3fa3 h LEU 244 CO -0.21 -0.35 -0.51 1.23 -0.62 0.00 0.00 178.44 177.97 3fa3 h GLY 245 N -0.33 -1.18 1.21 3.75 0.00 -1.75 -1.42 103.07 103.34 3fa3 h GLY 245 Ca 0.14 0.61 0.00 0.00 0.00 0.00 0.00 47.33 48.08 3fa3 h GLY 245 CO -0.48 -0.31 0.00 -1.55 0.00 0.00 0.00 176.54 174.20 3fa3 n PRO 246 N -5.52 0.73 0.03 4.80 -0.04 -1.18 -2.74 135.00 131.08 3fa3 n PRO 246 Ca -0.10 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.26 3fa3 n PRO 246 Cb 0.43 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.26 3fa3 n PRO 246 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fa3 h ALA 247 N 3.66 0.49 -0.26 0.55 0.00 -0.16 -2.95 119.26 120.59 3fa3 h ALA 247 Ca 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 54.91 53.66 3fa3 h ALA 247 Cb 0.09 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3fa3 h ALA 247 CO 0.00 1.35 -0.10 0.28 0.00 0.00 0.00 179.25 180.78 3fa3 h VAL 248 N 0.02 1.29 -0.45 0.00 2.07 -1.16 0.32 116.25 118.34 3fa3 h VAL 248 Ca -0.19 -1.16 -0.09 0.00 0.82 0.00 0.00 66.70 66.08 3fa3 h VAL 248 Cb 1.94 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 33.20 3fa3 h VAL 248 CO 0.12 0.36 -0.09 0.00 0.02 0.00 0.00 177.57 177.98 3fa3 h ALA 249 N 0.74 0.98 -0.61 1.67 0.00 -1.63 -1.21 119.26 119.20 3fa3 h ALA 249 Ca 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3fa3 h ALA 249 Cb 0.59 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3fa3 h ALA 249 CO 0.03 0.61 0.28 0.00 0.00 0.00 0.00 179.25 180.16 3fa3 h ALA 250 N 1.16 0.79 -0.01 0.00 0.00 -1.39 -2.27 119.26 117.54 3fa3 h ALA 250 Ca 0.13 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3fa3 h ALA 250 Cb 0.58 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3fa3 h ALA 250 CO 0.04 0.37 -0.71 0.52 0.00 0.00 0.00 179.25 179.47 3fa3 h MET 251 N 0.84 0.05 -0.31 0.00 2.86 -0.60 -1.81 114.93 115.96 3fa3 h MET 251 Ca 0.21 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.64 3fa3 h MET 251 Cb 0.15 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 3fa3 h MET 251 CO -0.02 0.74 -0.42 -0.09 1.06 0.00 0.00 176.91 178.17 3fa3 h ARG 252 N 0.04 0.83 0.61 1.72 2.43 -1.14 -0.22 114.38 118.64 3fa3 h ARG 252 Ca -0.01 -0.48 -0.03 0.00 -0.81 0.00 0.00 59.98 58.65 3fa3 h ARG 252 Cb 1.25 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.84 3fa3 h ARG 252 CO 0.10 1.12 -0.29 1.49 -1.51 0.00 0.00 179.97 180.87 3fa3 h GLU 253 N 0.61 -0.79 -0.94 0.20 4.57 -1.34 -2.16 114.58 114.72 3fa3 h GLU 253 Ca 0.03 0.05 0.20 0.00 -1.18 0.00 0.00 59.36 58.47 3fa3 h GLU 253 Cb 1.02 0.18 -0.08 0.00 -0.16 0.00 0.00 28.75 29.71 3fa3 h GLU 253 CO 0.10 -0.50 0.61 0.00 -1.18 0.00 0.00 179.01 178.04 3fa3 h ALA 254 N -0.56 2.07 0.02 2.92 0.00 -1.33 -0.61 119.26 121.77 3fa3 h ALA 254 Ca -0.08 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fa3 h ALA 254 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3fa3 h ALA 254 CO 0.14 -0.39 -0.01 0.52 0.00 0.00 0.00 179.25 179.51 3fa3 h MET 255 N 0.50 -0.02 -0.41 0.00 2.86 -0.78 -1.79 114.93 115.30 3fa3 h MET 255 Ca 0.50 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 58.25 3fa3 h MET 255 Cb 1.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 3fa3 h MET 255 CO -0.23 0.68 0.29 0.93 1.06 0.00 0.00 176.91 179.64 3fa3 h GLU 256 N -0.75 0.06 -0.33 1.72 5.08 -1.17 0.13 114.58 119.31 3fa3 h GLU 256 Ca -0.00 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3fa3 h GLU 256 Cb 0.71 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3fa3 h GLU 256 CO 0.00 0.04 0.01 -0.22 -1.00 0.00 0.00 179.01 177.84 3fa3 h LYS 257 N 0.06 0.59 -0.43 2.33 3.64 -0.97 -2.37 116.57 119.42 3fa3 h LYS 257 Ca 0.19 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3fa3 h LYS 257 Cb 0.68 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3fa3 h LYS 257 CO -0.01 0.71 -0.06 1.25 -2.27 0.00 0.00 179.45 179.07 3fa3 h LEU 258 N 0.39 0.79 -2.14 5.20 5.85 -0.55 0.16 115.31 125.01 3fa3 h LEU 258 Ca 0.10 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.55 3fa3 h LEU 258 Cb 0.44 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3fa3 h LEU 258 CO 0.02 0.94 0.24 0.50 -0.34 0.00 0.00 178.44 179.80 3fa3 h LYS 259 N 0.62 0.00 0.00 1.25 1.63 -0.61 -1.18 116.57 118.29 3fa3 h LYS 259 Ca 0.11 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 3fa3 h LYS 259 Cb 0.57 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 3fa3 h LYS 259 CO 0.03 0.00 -0.25 0.54 -3.45 0.00 0.00 179.45 176.33 3fa3 n ARG 260 N -3.96 0.20 0.00 1.90 1.74 -0.89 -4.58 116.66 111.07 3fa3 n ARG 260 Ca 0.03 0.33 0.09 0.00 -0.77 0.00 0.00 57.85 57.54 3fa3 n ARG 260 Cb 0.38 -1.12 0.52 0.00 -1.02 0.00 0.00 32.46 31.23 3fa3 n ARG 260 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3fa3 n ASP 261 N -3.28 0.00 -1.74 0.55 8.00 0.50 -4.85 116.55 115.73 3fa3 n ASP 261 Ca -0.03 -0.31 -0.20 0.00 0.71 0.00 0.00 54.79 54.96 3fa3 n ASP 261 Cb 0.13 -0.14 -0.07 0.00 -0.02 0.00 0.00 41.12 41.02 3fa3 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fa3 n GLY 262 N 0.25 1.41 3.61 0.44 0.00 -0.45 -4.93 105.19 105.53 3fa3 n GLY 262 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 3fa3 n GLY 262 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fa3 s ILE 263 N -2.73 0.00 0.16 -0.61 1.10 -1.25 -5.07 121.20 112.80 3fa3 s ILE 263 Ca 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 60.65 60.06 3fa3 s ILE 263 Cb 0.00 -1.00 -0.05 0.00 0.15 0.00 0.00 42.46 41.56 3fa3 s ILE 263 CO 0.00 0.00 1.48 -0.65 -2.11 0.00 0.00 174.94 173.66 3fa3 h PRO 264 N 3.42 0.82 -4.25 3.50 0.11 -1.91 -3.40 132.00 130.29 3fa3 h PRO 264 Ca -0.24 -0.46 -0.21 0.00 0.11 0.00 0.00 66.00 65.21 3fa3 h PRO 264 Cb 1.17 0.03 0.10 0.00 0.11 0.00 0.00 31.00 32.41 3fa3 h PRO 264 CO 0.20 1.09 -0.47 0.41 -0.21 0.00 0.00 178.00 179.02 3fa3 n GLY 265 N 0.18 -0.05 3.81 -0.55 0.00 -1.26 -4.82 105.19 102.50 3fa3 n GLY 265 Ca -0.03 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3fa3 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fa3 s LEU 266 N -4.70 3.92 0.14 0.99 1.43 -1.26 -4.99 118.68 114.21 3fa3 s LEU 266 Ca 0.01 1.76 -0.33 0.00 -1.03 0.00 0.00 54.13 54.54 3fa3 s LEU 266 Cb -0.01 -4.53 -0.17 0.00 0.03 0.00 0.00 46.19 41.51 3fa3 s LEU 266 CO 0.45 -0.47 1.04 -0.67 0.23 0.00 0.00 176.35 176.94 3fa3 n ASP 267 N -0.70 0.66 -0.44 2.29 -0.08 -1.26 -4.86 116.55 112.15 3fa3 n ASP 267 Ca 0.07 1.14 0.40 0.00 -1.51 0.00 0.00 54.79 54.90 3fa3 n ASP 267 Cb 0.54 -1.12 0.64 0.00 2.34 0.00 0.00 41.12 43.52 3fa3 n ASP 267 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3fa3 h LYS 268 N 2.90 0.00 0.00 -0.67 1.57 -2.05 -0.74 116.57 117.58 3fa3 h LYS 268 Ca -0.42 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.24 3fa3 h LYS 268 Cb 1.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 3fa3 h LYS 268 CO 0.67 0.00 -0.55 1.49 -0.57 0.00 0.00 179.45 180.49 3fa3 h GLU 269 N 0.00 0.00 -2.96 3.15 4.81 -2.05 -3.37 114.58 114.17 3fa3 h GLU 269 Ca 0.70 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 59.23 3fa3 h GLU 269 Cb 3.26 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 32.62 3fa3 h GLU 269 CO -0.01 0.55 3.38 -1.33 -0.73 0.00 0.00 179.01 180.87 3fa3 n MET 270 N -3.41 3.92 -2.37 1.92 2.81 -0.28 -4.74 117.12 114.96 3fa3 n MET 270 Ca 0.01 -2.61 -0.33 0.00 -1.81 0.00 0.00 57.70 52.95 3fa3 n MET 270 Cb 0.68 -2.78 -0.02 0.00 -0.71 0.00 0.00 33.22 30.38 3fa3 n MET 270 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3fa3 s THR 271 N 1.24 3.86 0.35 2.03 -4.23 -1.26 -4.90 115.64 112.73 3fa3 s THR 271 Ca 0.64 1.04 0.18 0.00 -1.18 0.00 0.00 61.69 62.37 3fa3 s THR 271 Cb 0.18 -3.45 0.34 0.00 1.34 0.00 0.00 72.50 70.91 3fa3 s THR 271 CO -0.07 -0.36 1.62 -0.65 -0.54 0.00 0.00 174.62 174.62 3fa3 h PRO 272 N 1.15 0.16 -0.26 3.99 0.11 -1.98 -0.01 132.00 135.15 3fa3 h PRO 272 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3fa3 h PRO 272 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3fa3 h PRO 272 CO 0.59 0.11 0.13 1.96 -0.21 0.00 0.00 178.00 180.57 3fa3 h GLN 273 N 0.17 0.38 -0.94 1.05 7.50 -1.96 -1.53 115.11 119.78 3fa3 h GLN 273 Ca 0.79 -0.05 0.18 0.00 0.50 0.00 0.00 58.65 60.07 3fa3 h GLN 273 Cb 1.95 -0.07 -0.11 0.00 0.05 0.00 0.00 27.48 29.31 3fa3 h GLN 273 CO -0.69 0.36 0.52 1.98 -1.50 0.00 0.00 178.83 179.50 3fa3 h MET 274 N 0.30 0.64 0.25 1.46 4.05 -1.30 1.14 114.93 121.47 3fa3 h MET 274 Ca 0.09 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 3fa3 h MET 274 Cb 0.10 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 3fa3 h MET 274 CO -0.01 0.43 -0.12 -0.07 0.23 0.00 0.00 176.91 177.36 3fa3 h LEU 275 N 0.66 -0.28 -0.72 3.39 -0.00 -0.95 -1.59 115.31 115.82 3fa3 h LEU 275 Ca 0.54 -0.13 -0.11 0.00 -0.00 0.00 0.00 57.88 58.18 3fa3 h LEU 275 Cb 0.84 0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.56 3fa3 h LEU 275 CO -0.40 -0.03 -0.17 -0.26 -0.00 0.00 0.00 178.44 177.59 3fa3 h PHE 276 N -0.54 0.90 -0.72 1.13 0.05 -0.26 0.92 116.94 118.41 3fa3 h PHE 276 Ca -0.03 -0.19 0.14 0.00 3.82 0.00 0.00 57.97 61.71 3fa3 h PHE 276 Cb 0.40 -0.22 -0.14 0.00 2.00 0.00 0.00 35.95 37.99 3fa3 h PHE 276 CO -0.00 0.91 -0.24 -0.09 -0.18 0.00 0.00 178.31 178.70 3fa3 h ARG 277 N 0.71 -0.05 -0.78 1.51 9.65 0.13 0.27 114.38 125.82 3fa3 h ARG 277 Ca 0.11 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 59.07 3fa3 h ARG 277 Cb 0.67 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.21 3fa3 h ARG 277 CO 0.05 -0.03 0.51 0.28 2.80 0.00 0.00 179.97 183.58 3fa3 h VAL 278 N -0.05 0.98 -2.05 0.20 2.07 0.23 -1.21 116.25 116.42 3fa3 h VAL 278 Ca 0.32 -0.26 -0.77 0.00 0.82 0.00 0.00 66.70 66.81 3fa3 h VAL 278 Cb 0.56 0.15 -0.28 0.00 -1.52 0.00 0.00 31.29 30.20 3fa3 h VAL 278 CO -0.76 0.14 0.93 0.00 0.02 0.00 0.00 177.57 177.90 3fa3 n GLY 280 N -0.40 -0.34 0.33 0.00 0.00 -0.46 -4.86 105.19 99.46 3fa3 n GLY 280 Ca 0.51 0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.81 3fa3 n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fa3 h LEU 281 N -1.60 0.00 -0.51 0.99 5.85 -0.57 -0.39 115.31 119.08 3fa3 h LEU 281 Ca -0.61 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 57.98 3fa3 h LEU 281 Cb 1.38 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 3fa3 h LEU 281 CO 0.73 0.00 -0.22 0.44 -0.34 0.00 0.00 178.44 179.05 3fa3 h ASP 282 N 0.00 1.00 0.03 1.25 3.32 -1.82 0.01 116.42 120.21 3fa3 h ASP 282 Ca 0.13 -0.38 -0.20 0.00 0.02 0.00 0.00 57.03 56.60 3fa3 h ASP 282 Cb 0.55 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 39.84 3fa3 h ASP 282 CO -0.00 1.18 -0.80 -0.33 -1.72 0.00 0.00 179.24 177.56 3fa3 h GLU 283 N 0.84 0.49 -0.14 3.56 4.39 -1.70 0.26 114.58 122.28 3fa3 h GLU 283 Ca 0.11 -0.57 0.05 0.00 0.34 0.00 0.00 59.36 59.28 3fa3 h GLU 283 Cb 0.80 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.57 3fa3 h GLU 283 CO 0.07 1.20 -0.19 0.77 -1.16 0.00 0.00 179.01 179.70 3fa3 h SER 284 N 0.03 -0.60 -0.40 1.42 0.02 -1.08 -2.15 113.55 110.78 3fa3 h SER 284 Ca -0.11 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3fa3 h SER 284 Cb 1.51 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 64.30 3fa3 h SER 284 CO 0.16 -0.24 0.13 -0.03 -1.14 0.00 0.00 176.83 175.71 3fa3 h MET 285 N -0.24 0.69 -0.51 3.45 -1.53 -0.91 -2.36 114.93 113.53 3fa3 h MET 285 Ca 0.10 -0.12 -0.08 0.00 -3.44 0.00 0.00 59.70 56.17 3fa3 h MET 285 Cb 0.39 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.30 3fa3 h MET 285 CO -0.28 0.62 0.01 0.87 0.14 0.00 0.00 176.91 178.27 3fa3 h LYS 286 N 0.68 0.85 -0.41 0.39 1.57 -0.56 -2.87 116.57 116.22 3fa3 h LYS 286 Ca 0.16 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3fa3 h LYS 286 Cb 0.22 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3fa3 h LYS 286 CO -0.01 0.84 0.13 0.28 -0.57 0.00 0.00 179.45 180.13 3fa3 h VAL 287 N 0.79 1.22 -0.92 0.50 2.07 -0.84 0.11 116.25 119.18 3fa3 h VAL 287 Ca 0.15 -0.71 0.12 0.00 0.82 0.00 0.00 66.70 67.08 3fa3 h VAL 287 Cb 0.46 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 3fa3 h VAL 287 CO 0.02 0.25 0.59 -0.78 0.02 0.00 0.00 177.57 177.67 3fa3 h ASP 288 N 0.52 0.79 0.34 0.57 1.82 -1.57 -2.13 116.42 116.75 3fa3 h ASP 288 Ca 0.13 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.79 3fa3 h ASP 288 Cb 0.26 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.14 3fa3 h ASP 288 CO -0.00 0.44 -0.16 0.00 -1.61 0.00 0.00 179.24 177.90 3fa3 h ALA 289 N 1.56 -0.45 -0.49 -0.78 0.00 -1.17 -1.78 119.26 116.15 3fa3 h ALA 289 Ca 0.44 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.31 3fa3 h ALA 289 Cb 0.52 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 3fa3 h ALA 289 CO -0.21 -0.70 0.08 1.96 0.00 0.00 0.00 179.25 180.38 3fa3 h GLN 290 N -0.55 0.20 0.00 0.00 4.20 -0.68 -1.85 115.11 116.42 3fa3 h GLN 290 Ca -0.05 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3fa3 h GLN 290 Cb 0.41 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3fa3 h GLN 290 CO 0.08 0.13 0.10 0.00 -0.67 0.00 0.00 178.83 178.47 3fa3 h ALA 291 N 1.40 1.09 0.00 3.87 0.00 -1.33 -3.44 119.26 120.84 3fa3 h ALA 291 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3fa3 h ALA 291 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3fa3 h ALA 291 CO -0.34 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.23 3fa3 n GLY 292 N -1.20 1.00 3.92 0.00 0.00 -0.70 -5.08 105.19 103.13 3fa3 n GLY 292 Ca -0.02 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 3fa3 n GLY 292 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fa3 s GLY 293 N -2.17 1.75 0.00 -0.02 0.00 -0.68 -5.03 107.32 101.17 3fa3 s GLY 293 Ca 0.00 -0.79 0.20 0.00 0.00 0.00 0.00 44.72 44.13 3fa3 s GLY 293 CO 0.00 -0.73 1.05 0.00 0.00 0.00 0.00 173.10 173.41 3fa3 n ALA 294 N -0.83 3.08 0.30 3.20 0.00 -1.26 -4.34 120.51 120.65 3fa3 n ALA 294 Ca -0.04 -0.62 0.16 0.00 0.00 0.00 0.00 53.44 52.94 3fa3 n ALA 294 Cb 0.54 -0.70 0.86 0.00 0.00 0.00 0.00 19.45 20.15 3fa3 n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 h ALA 295 N 3.65 1.19 -0.01 0.00 0.00 -1.96 0.34 119.26 122.47 3fa3 h ALA 295 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fa3 h ALA 295 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3fa3 h ALA 295 CO 0.00 -0.19 0.00 1.19 0.00 0.00 0.00 179.25 180.25 3fa3 n PHE 296 N -2.77 0.01 -0.98 0.00 0.99 -1.26 -4.99 117.46 108.46 3fa3 n PHE 296 Ca -0.02 -0.11 -0.47 0.00 -0.00 0.00 0.00 57.45 56.85 3fa3 n PHE 296 Cb 0.25 -0.01 -0.09 0.00 -1.00 0.00 0.00 39.48 38.62 3fa3 n PHE 296 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3fa3 n ASP 297 N -0.03 0.59 0.00 4.37 4.64 0.12 -2.03 116.55 124.21 3fa3 n ASP 297 Ca 0.01 0.53 0.00 0.00 -1.38 0.00 0.00 54.79 53.95 3fa3 n ASP 297 Cb 0.08 -0.71 0.00 0.00 -1.04 0.00 0.00 41.12 39.45 3fa3 n ASP 297 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3fa3 n GLY 298 N 5.88 1.16 0.00 0.27 0.00 -1.26 -4.97 105.19 106.26 3fa3 n GLY 298 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3fa3 n GLY 298 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 299 N -0.14 0.00 0.36 -0.02 0.00 -0.86 -4.48 105.19 100.06 3fa3 n GLY 299 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fa3 n GLY 299 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fa3 n VAL 300 N 0.00 0.00 -3.52 1.61 0.24 -1.26 -4.95 118.33 110.45 3fa3 n VAL 300 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.07 3fa3 n VAL 300 Cb 0.00 0.50 0.02 0.00 -1.47 0.00 0.00 33.84 32.88 3fa3 n VAL 300 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3fa3 s ASP 301 N -0.57 4.87 0.00 -1.34 1.11 -1.26 -5.03 116.67 114.45 3fa3 s ASP 301 Ca 0.00 -1.04 0.00 0.00 0.18 0.00 0.00 52.55 51.69 3fa3 s ASP 301 Cb 0.00 0.27 0.00 0.00 1.07 0.00 0.00 42.92 44.26 3fa3 s ASP 301 CO 0.00 -1.15 0.00 0.18 1.18 0.00 0.00 175.17 175.38