#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f4j s ASP 25 N 0.00 3.63 -0.01 0.00 1.01 -1.26 -4.96 116.67 115.07 1f4j s ASP 25 Ca 0.00 1.99 -0.30 0.00 0.71 0.00 0.00 52.55 54.95 1f4j s ASP 25 Cb 0.00 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 1f4j s ASP 25 CO 0.00 -2.62 0.99 -0.69 0.21 0.00 0.00 175.17 173.06 1f4j s VAL 26 N -2.77 4.83 0.02 -1.27 1.01 -1.26 -5.01 120.40 115.95 1f4j s VAL 26 Ca 0.64 2.04 -0.30 0.00 0.00 0.00 0.00 61.98 64.36 1f4j s VAL 26 Cb -0.20 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 1f4j s VAL 26 CO 0.57 0.14 1.16 -0.22 0.00 0.00 0.00 175.10 176.75 1f4j s LEU 27 N 1.15 4.34 0.30 3.92 2.96 -1.26 -4.98 118.68 125.11 1f4j s LEU 27 Ca 0.52 1.90 0.02 0.00 -0.22 0.00 0.00 54.13 56.35 1f4j s LEU 27 Cb -0.21 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.86 1f4j s LEU 27 CO 0.27 -0.47 0.10 0.42 -1.32 0.00 0.00 176.35 175.35 1f4j s THR 28 N 1.38 0.66 0.93 3.68 -4.23 -1.26 -1.05 115.64 115.75 1f4j s THR 28 Ca 0.57 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.92 1f4j s THR 28 Cb -0.27 -2.62 0.22 0.00 1.34 0.00 0.00 72.50 71.17 1f4j s THR 28 CO 0.27 0.00 1.23 0.35 -0.54 0.00 0.00 174.62 175.93 1f4j n THR 29 N -0.59 0.00 0.34 3.99 -2.24 -0.38 -4.89 114.28 110.51 1f4j n THR 29 Ca -0.01 -0.89 0.15 0.00 -2.27 0.00 0.00 64.05 61.03 1f4j n THR 29 Cb 0.66 -1.52 0.60 0.00 -2.10 0.00 0.00 70.33 67.96 1f4j n THR 29 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1f4j h GLY 30 N -1.70 0.00 -1.67 3.38 0.00 -1.91 -2.10 103.07 99.07 1f4j h GLY 30 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1f4j h GLY 30 CO 0.28 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.82 1f4j n ALA 31 N -1.92 2.45 -0.91 3.60 0.00 -1.26 -4.92 120.51 117.55 1f4j n ALA 31 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1f4j n ALA 31 Cb 0.26 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1f4j n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f4j n GLY 32 N 1.32 0.54 3.71 0.00 0.00 -0.79 -5.02 105.19 104.95 1f4j n GLY 32 Ca 0.18 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1f4j n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f4j s ASN 33 N -2.04 7.24 0.34 1.61 0.02 -1.26 -4.76 114.94 116.10 1f4j s ASN 33 Ca 0.00 1.51 -0.28 0.00 -1.02 0.00 0.00 52.86 53.06 1f4j s ASN 33 Cb 0.00 -2.52 -0.12 0.00 0.02 0.00 0.00 41.25 38.63 1f4j s ASN 33 CO 0.00 -0.23 1.36 -2.65 0.02 0.00 0.00 177.10 175.61 1f4j n PRO 34 N 3.93 2.28 -3.69 -0.60 -0.02 -1.26 -1.25 135.00 134.39 1f4j n PRO 34 Ca 0.04 0.80 -0.38 0.00 -2.02 0.00 0.00 63.50 61.94 1f4j n PRO 34 Cb 0.51 -2.44 -0.12 0.00 -0.02 0.00 0.00 33.50 31.44 1f4j n PRO 34 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1f4j s VAL 35 N -0.96 4.51 0.00 -1.45 1.01 -0.22 -4.86 120.40 118.44 1f4j s VAL 35 Ca 0.56 -0.33 -0.25 0.00 0.00 0.00 0.00 61.98 61.96 1f4j s VAL 35 Cb -0.55 -3.24 -0.19 0.00 0.00 0.00 0.00 36.38 32.40 1f4j s VAL 35 CO 0.61 0.16 1.37 1.23 0.00 0.00 0.00 175.10 178.47 1f4j h GLY 36 N 8.31 -0.01 -7.24 4.51 0.00 -1.94 -3.44 103.07 103.26 1f4j h GLY 36 Ca -0.34 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.62 1f4j h GLY 36 CO 0.60 -0.00 -0.74 -0.35 0.00 0.00 0.00 176.54 176.05 1f4j s ASP 37 N -5.58 1.10 -0.21 0.19 3.68 -1.26 -5.01 116.67 109.58 1f4j s ASP 37 Ca -0.15 0.07 0.11 0.00 2.13 0.00 0.00 52.55 54.71 1f4j s ASP 37 Cb 0.03 -0.15 0.42 0.00 -1.45 0.00 0.00 42.92 41.77 1f4j s ASP 37 CO 0.67 -0.24 1.25 1.17 0.13 0.00 0.00 175.17 178.15 1f4j n LYS 38 N 5.22 1.61 0.00 4.34 4.81 -1.26 -4.49 118.16 128.39 1f4j n LYS 38 Ca -0.05 -3.24 0.00 0.00 -0.87 0.00 0.00 58.31 54.15 1f4j n LYS 38 Cb 0.50 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 33.91 1f4j n LYS 38 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1f4j n LEU 39 N -1.14 0.38 -3.82 3.14 4.77 -1.26 -5.03 117.00 114.04 1f4j n LEU 39 Ca 0.21 -0.61 -0.12 0.00 -0.03 0.00 0.00 56.01 55.45 1f4j n LEU 39 Cb 0.73 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.69 1f4j n LEU 39 CO -0.01 0.10 -0.20 0.20 -1.33 0.00 0.00 177.39 176.15 1f4j s ASN 40 N -0.45 -0.16 0.36 -1.43 0.01 -1.26 -5.16 114.94 106.85 1f4j s ASN 40 Ca 0.00 0.30 -0.02 0.00 -0.71 0.00 0.00 52.86 52.44 1f4j s ASN 40 Cb 0.00 0.31 -0.04 0.00 0.41 0.00 0.00 41.25 41.93 1f4j s ASN 40 CO 0.00 -0.05 0.60 -0.69 -1.51 0.00 0.00 177.10 175.44 1f4j s VAL 41 N 0.07 5.05 -0.19 1.60 1.01 -1.26 -4.95 120.40 121.74 1f4j s VAL 41 Ca -0.00 -0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.48 1f4j s VAL 41 Cb -0.01 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1f4j s VAL 41 CO 0.00 -0.58 0.87 -0.63 0.00 0.00 0.00 175.10 174.77 1f4j s ILE 42 N -2.36 4.84 0.16 2.22 1.01 -1.26 -5.04 121.20 120.77 1f4j s ILE 42 Ca 0.42 1.70 0.06 0.00 0.00 0.00 0.00 60.65 62.83 1f4j s ILE 42 Cb -0.10 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 1f4j s ILE 42 CO 0.37 -0.02 -0.12 0.42 0.00 0.00 0.00 174.94 175.58 1f4j s THR 43 N 2.41 1.39 -0.93 2.92 -4.23 -1.26 -1.53 115.64 114.41 1f4j s THR 43 Ca 0.39 -2.06 -0.22 0.00 -1.18 0.00 0.00 61.69 58.62 1f4j s THR 43 Cb -0.16 -1.87 0.08 0.00 1.34 0.00 0.00 72.50 71.89 1f4j s THR 43 CO 0.11 -0.65 1.27 0.54 -0.54 0.00 0.00 174.62 175.36 1f4j s VAL 44 N -3.03 4.24 0.00 2.29 0.11 -0.79 -4.79 120.40 118.42 1f4j s VAL 44 Ca 0.17 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 1f4j s VAL 44 Cb 0.00 -4.91 0.00 0.00 -1.53 0.00 0.00 36.38 29.94 1f4j s VAL 44 CO 0.03 -1.73 0.00 0.61 -3.33 0.00 0.00 175.10 170.68 1f4j n GLY 45 N 6.12 -0.38 0.27 6.54 0.00 -1.26 -2.66 105.19 113.81 1f4j n GLY 45 Ca 0.24 -1.74 0.15 0.00 0.00 0.00 0.00 46.02 44.67 1f4j n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f4j h PRO 46 N 0.00 0.00 -0.10 1.61 0.13 -2.01 -3.02 132.00 128.60 1f4j h PRO 46 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 1f4j h PRO 46 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 1f4j h PRO 46 CO 0.00 0.08 -0.63 0.54 -0.23 0.00 0.00 178.00 177.77 1f4j n ARG 47 N -3.32 1.64 -3.56 0.86 5.12 -1.26 -5.07 116.66 111.07 1f4j n ARG 47 Ca -0.01 -3.25 -0.22 0.00 -1.93 0.00 0.00 57.85 52.45 1f4j n ARG 47 Cb 0.27 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.07 1f4j n ARG 47 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1f4j s GLY 48 N -3.13 2.14 0.96 -0.13 0.00 -1.09 -5.03 107.32 101.04 1f4j s GLY 48 Ca 0.39 -1.77 -0.12 0.00 0.00 0.00 0.00 44.72 43.22 1f4j s GLY 48 CO -0.07 -1.75 1.09 2.56 0.00 0.00 0.00 173.10 174.94 1f4j s PRO 49 N -4.23 0.75 0.26 2.90 0.04 -1.26 -4.34 135.00 129.12 1f4j s PRO 49 Ca 0.47 0.62 -0.29 0.00 0.04 0.00 0.00 61.00 61.83 1f4j s PRO 49 Cb -0.03 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.65 1f4j s PRO 49 CO 0.28 -2.53 0.96 -1.17 0.04 0.00 0.00 177.00 174.58 1f4j s LEU 50 N -6.36 4.59 0.00 -3.56 2.96 -1.26 -1.89 118.68 113.16 1f4j s LEU 50 Ca 0.65 1.98 -0.06 0.00 -0.22 0.00 0.00 54.13 56.47 1f4j s LEU 50 Cb -0.18 -3.67 -0.05 0.00 0.50 0.00 0.00 46.19 42.80 1f4j s LEU 50 CO 0.57 0.09 0.25 -0.76 -1.32 0.00 0.00 176.35 175.18 1f4j s LEU 51 N -1.33 4.37 0.36 -0.68 1.02 -0.58 -4.97 118.68 116.87 1f4j s LEU 51 Ca 0.43 0.53 0.13 0.00 0.02 0.00 0.00 54.13 55.24 1f4j s LEU 51 Cb -0.26 -2.64 0.69 0.00 0.02 0.00 0.00 46.19 44.00 1f4j s LEU 51 CO 0.32 0.26 1.79 0.58 0.02 0.00 0.00 176.35 179.33 1f4j h VAL 52 N 3.06 1.23 0.00 -1.59 2.07 -1.97 -2.73 116.25 116.32 1f4j h VAL 52 Ca -0.50 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 65.61 1f4j h VAL 52 Cb 1.20 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1f4j h VAL 52 CO 0.66 0.40 0.00 0.00 0.02 0.00 0.00 177.57 178.65 1f4j n GLN 53 N -3.98 0.23 -2.65 1.57 10.64 -1.26 -4.00 117.38 117.93 1f4j n GLN 53 Ca -0.02 0.13 -0.43 0.00 -1.83 0.00 0.00 57.00 54.85 1f4j n GLN 53 Cb 0.44 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.32 1f4j n GLN 53 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1f4j n ASP 54 N -1.28 5.00 0.09 2.61 -0.08 -1.03 -4.67 116.55 117.18 1f4j n ASP 54 Ca 0.08 -2.93 0.13 0.00 -1.51 0.00 0.00 54.79 50.55 1f4j n ASP 54 Cb 0.13 -1.71 0.38 0.00 2.34 0.00 0.00 41.12 42.25 1f4j n ASP 54 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1f4j n VAL 55 N 6.02 0.51 0.06 5.18 0.24 -1.26 -2.93 118.33 126.14 1f4j n VAL 55 Ca 0.47 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.34 62.38 1f4j n VAL 55 Cb 0.45 -0.49 -0.07 0.00 -1.47 0.00 0.00 33.84 32.27 1f4j n VAL 55 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1f4j h VAL 56 N 0.00 0.91 0.17 3.34 2.07 -1.94 0.20 116.25 121.01 1f4j h VAL 56 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1f4j h VAL 56 Cb 0.72 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1f4j h VAL 56 CO 0.00 0.00 -0.12 0.15 0.02 0.00 0.00 177.57 177.62 1f4j h PHE 57 N -0.08 -0.32 -0.74 1.57 3.57 -1.95 -2.18 116.94 116.82 1f4j h PHE 57 Ca 0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1f4j h PHE 57 Cb 0.08 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1f4j h PHE 57 CO -0.10 -0.19 0.39 1.15 -2.23 0.00 0.00 178.31 177.33 1f4j h THR 58 N -0.30 1.23 -0.73 4.41 2.02 -1.42 0.23 112.91 118.35 1f4j h THR 58 Ca -0.01 -0.60 0.01 0.00 0.77 0.00 0.00 66.41 66.58 1f4j h THR 58 Cb 0.26 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 1f4j h THR 58 CO 0.00 0.26 0.48 -0.78 0.37 0.00 0.00 175.52 175.85 1f4j h ASP 59 N 1.02 0.82 0.37 4.18 3.58 -0.45 0.55 116.42 126.50 1f4j h ASP 59 Ca 0.26 -0.02 -0.28 0.00 0.42 0.00 0.00 57.03 57.41 1f4j h ASP 59 Cb 0.07 -0.20 0.02 0.00 1.72 0.00 0.00 39.33 40.93 1f4j h ASP 59 CO -0.04 0.59 -1.22 -0.08 -2.88 0.00 0.00 179.24 175.61 1f4j h GLU 60 N 0.97 0.44 -0.29 0.28 4.81 -1.09 -3.14 114.58 116.56 1f4j h GLU 60 Ca 0.28 -0.64 -0.05 0.00 -0.13 0.00 0.00 59.36 58.82 1f4j h GLU 60 Cb -0.08 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1f4j h GLU 60 CO -0.07 1.28 -0.00 1.98 -0.73 0.00 0.00 179.01 181.46 1f4j h MET 61 N 0.18 0.52 -0.98 1.92 4.05 -0.34 -1.83 114.93 118.46 1f4j h MET 61 Ca -0.16 -0.16 0.09 0.00 -0.28 0.00 0.00 59.70 59.19 1f4j h MET 61 Cb 1.90 -0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 32.58 1f4j h MET 61 CO 0.22 0.66 0.62 0.00 0.23 0.00 0.00 176.91 178.65 1f4j h ALA 62 N 0.83 1.51 -0.19 0.39 0.00 0.03 -0.86 119.26 120.97 1f4j h ALA 62 Ca 0.08 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1f4j h ALA 62 Cb 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1f4j h ALA 62 CO 0.02 0.30 -0.50 1.25 0.00 0.00 0.00 179.25 180.32 1f4j h HIS 63 N 1.04 0.87 -0.69 0.00 6.17 -1.47 -3.05 115.15 118.02 1f4j h HIS 63 Ca 0.45 -0.34 0.11 0.00 0.71 0.00 0.00 60.37 61.30 1f4j h HIS 63 Cb 0.35 -0.15 -0.08 0.00 2.52 0.00 0.00 27.41 30.05 1f4j h HIS 63 CO -0.00 1.12 0.29 0.35 0.71 0.00 0.00 177.93 180.40 1f4j h PHE 64 N 0.37 0.51 0.00 5.26 3.57 -0.58 0.16 116.94 126.23 1f4j h PHE 64 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1f4j h PHE 64 Cb 1.11 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1f4j h PHE 64 CO 0.09 0.13 0.00 -0.25 -2.23 0.00 0.00 178.31 176.05 1f4j n ASP 65 N -4.95 0.00 0.00 0.41 8.00 -0.40 -2.81 116.55 116.80 1f4j n ASP 65 Ca 0.11 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1f4j n ASP 65 Cb 0.32 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1f4j n ASP 65 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1f4j n ARG 66 N -1.11 0.70 0.00 -1.24 1.74 0.53 -4.84 116.66 112.44 1f4j n ARG 66 Ca 0.03 -0.69 0.03 0.00 -0.77 0.00 0.00 57.85 56.45 1f4j n ARG 66 Cb 0.02 -0.72 0.21 0.00 -1.02 0.00 0.00 32.46 30.94 1f4j n ARG 66 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1f4j n GLU 67 N -0.14 0.50 -4.57 5.56 0.28 -1.09 -4.68 120.64 116.50 1f4j n GLU 67 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 1f4j n GLU 67 Cb 0.30 -1.22 -0.12 0.00 1.43 0.00 0.00 31.44 31.83 1f4j n GLU 67 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1f4j s ARG 68 N -2.00 3.18 0.47 3.44 1.81 -1.26 -5.11 118.95 119.48 1f4j s ARG 68 Ca 0.10 -0.56 0.04 0.00 -1.72 0.00 0.00 55.73 53.60 1f4j s ARG 68 Cb 0.05 -2.71 -0.03 0.00 -0.45 0.00 0.00 34.95 31.80 1f4j s ARG 68 CO 0.08 0.45 0.10 0.96 -0.68 0.00 0.00 175.30 176.21 1f4j s ILE 69 N -0.22 1.65 0.38 1.52 -4.36 -1.26 -5.10 121.20 113.81 1f4j s ILE 69 Ca 0.03 -1.86 -0.25 0.00 -0.26 0.00 0.00 60.65 58.30 1f4j s ILE 69 Cb -0.13 -2.52 -0.09 0.00 1.25 0.00 0.00 42.46 40.98 1f4j s ILE 69 CO 0.03 0.00 1.11 -2.84 0.24 0.00 0.00 174.94 173.48 1f4j s PRO 70 N -3.91 4.19 0.65 0.37 0.02 -1.26 -5.02 135.00 130.04 1f4j s PRO 70 Ca 0.24 1.71 -0.10 0.00 0.02 0.00 0.00 61.00 62.87 1f4j s PRO 70 Cb 0.03 -2.71 -0.01 0.00 0.02 0.00 0.00 34.50 31.84 1f4j s PRO 70 CO 0.13 -0.17 1.03 -1.83 -0.33 0.00 0.00 177.00 175.83 1f4j s GLU 71 N -2.23 3.16 0.54 5.54 -1.05 -1.26 -4.91 118.70 118.49 1f4j s GLU 71 Ca 0.55 0.48 -0.21 0.00 -0.15 0.00 0.00 54.97 55.64 1f4j s GLU 71 Cb -0.28 -2.10 -0.06 0.00 -0.44 0.00 0.00 34.13 31.26 1f4j s GLU 71 CO 0.35 -0.78 1.22 0.54 0.95 0.00 0.00 175.26 177.53 1f4j n ARG 72 N -2.82 1.47 0.27 -4.83 1.74 -1.26 -4.86 116.66 106.37 1f4j n ARG 72 Ca 0.06 0.54 0.14 0.00 -0.77 0.00 0.00 57.85 57.82 1f4j n ARG 72 Cb 0.56 -2.40 0.74 0.00 -1.02 0.00 0.00 32.46 30.34 1f4j n ARG 72 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1f4j h VAL 73 N 1.26 0.47 -3.88 1.55 3.04 -1.98 -3.39 116.25 113.31 1f4j h VAL 73 Ca -0.49 -0.54 -0.10 0.00 -1.01 0.00 0.00 66.70 64.56 1f4j h VAL 73 Cb 1.32 1.37 -0.13 0.00 -2.01 0.00 0.00 31.29 31.84 1f4j h VAL 73 CO 0.56 0.11 -0.35 0.68 -1.01 0.00 0.00 177.57 177.55 1f4j s VAL 74 N -4.10 0.09 -1.75 1.51 -7.23 -1.26 -4.88 120.40 102.78 1f4j s VAL 74 Ca -0.02 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 1f4j s VAL 74 Cb 0.12 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.38 1f4j s VAL 74 CO 0.57 -0.42 0.00 1.41 -0.31 0.00 0.00 175.10 176.35 1f4j n HIS 75 N -0.16 -1.02 -0.02 2.82 -0.00 -0.21 -4.90 115.22 111.73 1f4j n HIS 75 Ca -0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.53 1f4j n HIS 75 Cb 0.63 -3.91 -0.03 0.00 -0.00 0.00 0.00 29.99 26.67 1f4j n HIS 75 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1f4j h ALA 76 N 0.99 0.07 -2.08 -1.41 0.00 -1.74 -3.41 119.26 111.67 1f4j h ALA 76 Ca -0.49 0.06 -0.57 0.00 0.00 0.00 0.00 54.91 53.91 1f4j h ALA 76 Cb 1.36 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 1f4j h ALA 76 CO 0.57 -0.51 0.87 0.21 0.00 0.00 0.00 179.25 180.39 1f4j s LYS 77 N -6.19 4.19 0.27 0.00 2.47 -1.25 -4.66 119.74 114.56 1f4j s LYS 77 Ca -0.14 1.45 -0.01 0.00 -1.56 0.00 0.00 55.97 55.72 1f4j s LYS 77 Cb 0.10 -3.73 -0.02 0.00 -1.46 0.00 0.00 37.83 32.71 1f4j s LYS 77 CO 0.68 -0.74 0.28 0.20 0.16 0.00 0.00 175.35 175.93 1f4j s GLY 78 N 1.74 1.56 -0.02 5.54 0.00 -1.26 -2.77 107.32 112.11 1f4j s GLY 78 Ca 0.50 -1.65 -0.01 0.00 0.00 0.00 0.00 44.72 43.56 1f4j s GLY 78 CO 0.12 -1.24 0.03 0.00 0.00 0.00 0.00 173.10 172.02 1f4j s ALA 79 N -3.75 -0.02 0.25 3.20 0.00 -0.71 -4.90 121.76 115.84 1f4j s ALA 79 Ca 0.36 0.21 0.12 0.00 0.00 0.00 0.00 51.96 52.64 1f4j s ALA 79 Cb 0.03 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 1f4j s ALA 79 CO 0.17 -0.06 -0.21 0.20 0.00 0.00 0.00 175.76 175.86 1f4j s GLY 80 N 0.53 1.81 0.08 0.00 0.00 -1.26 -0.15 107.32 108.33 1f4j s GLY 80 Ca -0.04 -1.80 -0.26 0.00 0.00 0.00 0.00 44.72 42.62 1f4j s GLY 80 CO -0.02 -1.87 0.77 0.00 0.00 0.00 0.00 173.10 171.99 1f4j s ALA 81 N -2.27 -1.71 0.12 3.20 0.00 -0.74 -4.45 121.76 115.92 1f4j s ALA 81 Ca 0.27 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.98 1f4j s ALA 81 Cb -0.06 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1f4j s ALA 81 CO 0.13 -0.75 -0.08 -0.06 0.00 0.00 0.00 175.76 175.00 1f4j s PHE 82 N -3.40 1.09 0.00 0.00 0.40 0.45 -0.52 117.98 115.99 1f4j s PHE 82 Ca 0.04 -0.83 0.00 0.00 -0.60 0.00 0.00 56.93 55.54 1f4j s PHE 82 Cb -0.01 -0.58 0.00 0.00 0.51 0.00 0.00 43.02 42.94 1f4j s PHE 82 CO -0.09 -0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.21 1f4j n GLY 83 N -0.12 0.72 3.29 4.36 0.00 -0.43 -1.16 105.19 111.85 1f4j n GLY 83 Ca -0.11 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1f4j n GLY 83 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1f4j s TYR 84 N 1.39 0.39 -0.10 1.61 -0.85 -0.34 0.09 117.35 119.53 1f4j s TYR 84 Ca 0.00 -0.77 0.02 0.00 -0.52 0.00 0.00 57.07 55.80 1f4j s TYR 84 Cb 0.00 -0.10 -0.01 0.00 0.38 0.00 0.00 41.96 42.23 1f4j s TYR 84 CO 0.00 -0.66 -0.18 0.12 -1.52 0.00 0.00 175.55 173.31 1f4j s PHE 85 N -3.95 2.68 -0.07 -3.49 5.36 0.99 -0.93 117.98 118.57 1f4j s PHE 85 Ca 0.15 -0.73 0.03 0.00 -0.96 0.00 0.00 56.93 55.43 1f4j s PHE 85 Cb 0.04 -1.75 0.00 0.00 -0.34 0.00 0.00 43.02 40.97 1f4j s PHE 85 CO -0.02 -0.23 -0.18 -2.00 -1.46 0.00 0.00 175.22 171.32 1f4j s GLU 86 N 0.17 2.25 0.08 10.12 2.12 -0.31 0.23 118.70 133.36 1f4j s GLU 86 Ca -0.10 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.28 1f4j s GLU 86 Cb -0.16 -1.79 -0.06 0.00 0.26 0.00 0.00 34.13 32.38 1f4j s GLU 86 CO 0.06 0.14 1.11 0.08 -0.54 0.00 0.00 175.26 176.11 1f4j s VAL 87 N 0.38 4.20 -0.01 3.70 1.01 -0.43 -1.02 120.40 128.22 1f4j s VAL 87 Ca -0.13 1.67 0.03 0.00 0.00 0.00 0.00 61.98 63.54 1f4j s VAL 87 Cb -0.16 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1f4j s VAL 87 CO 0.05 0.18 0.04 0.35 0.00 0.00 0.00 175.10 175.72 1f4j n THR 88 N 3.45 0.08 -4.22 3.92 -2.24 -0.09 -0.59 114.28 114.59 1f4j n THR 88 Ca 0.06 -0.09 -0.14 0.00 -2.27 0.00 0.00 64.05 61.62 1f4j n THR 88 Cb 0.47 -0.16 -0.10 0.00 -2.10 0.00 0.00 70.33 68.44 1f4j n THR 88 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1f4j s HIS 89 N -2.14 1.17 -0.33 4.78 3.76 -0.37 -4.88 115.29 117.27 1f4j s HIS 89 Ca -0.01 -0.75 -0.20 0.00 -0.15 0.00 0.00 55.06 53.95 1f4j s HIS 89 Cb 0.01 -0.61 -0.01 0.00 1.11 0.00 0.00 32.58 33.09 1f4j s HIS 89 CO 0.11 0.03 0.60 0.34 -0.85 0.00 0.00 174.74 174.97 1f4j s ASP 90 N -2.96 6.42 -0.13 1.40 -1.08 -1.26 -4.77 116.67 114.29 1f4j s ASP 90 Ca 0.13 0.23 0.16 0.00 -0.52 0.00 0.00 52.55 52.55 1f4j s ASP 90 Cb 0.01 -2.31 0.30 0.00 -1.46 0.00 0.00 42.92 39.46 1f4j s ASP 90 CO -0.00 -0.50 1.15 2.30 0.52 0.00 0.00 175.17 178.64 1f4j n ILE 91 N 5.45 1.74 0.34 4.11 -5.35 -1.26 -4.79 119.36 119.60 1f4j n ILE 91 Ca -0.02 -2.26 0.22 0.00 -0.27 0.00 0.00 62.75 60.42 1f4j n ILE 91 Cb 0.49 -0.14 1.19 0.00 -1.74 0.00 0.00 39.64 39.44 1f4j n ILE 91 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1f4j h THR 92 N 1.07 0.00 0.00 7.28 1.35 -1.88 0.07 112.91 120.80 1f4j h THR 92 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1f4j h THR 92 Cb 1.06 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1f4j h THR 92 CO 0.00 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 175.34 1f4j h LYS 93 N 0.00 0.00 0.00 4.72 2.10 -1.99 -3.24 116.57 118.16 1f4j h LYS 93 Ca 0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.34 1f4j h LYS 93 Cb 0.05 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.32 1f4j h LYS 93 CO 0.00 0.00 -2.17 0.66 -2.00 0.00 0.00 179.45 175.94 1f4j n TYR 94 N -2.54 0.00 -3.81 0.07 4.01 -0.03 -4.67 117.16 110.18 1f4j n TYR 94 Ca 0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.63 1f4j n TYR 94 Cb 0.31 -0.80 -0.15 0.00 -0.31 0.00 0.00 39.34 38.39 1f4j n TYR 94 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1f4j s SER 95 N -5.72 0.03 0.00 7.72 0.15 -0.93 -2.13 113.70 112.82 1f4j s SER 95 Ca -0.22 0.04 0.19 0.00 0.70 0.00 0.00 55.95 56.66 1f4j s SER 95 Cb 0.07 -0.02 0.77 0.00 -1.71 0.00 0.00 66.02 65.13 1f4j s SER 95 CO 0.54 -0.07 1.55 2.29 1.20 0.00 0.00 173.24 178.74 1f4j n LYS 96 N 3.69 1.57 -1.68 5.44 2.85 0.89 -4.30 118.16 126.62 1f4j n LYS 96 Ca -0.21 -0.85 -0.46 0.00 -1.05 0.00 0.00 58.31 55.74 1f4j n LYS 96 Cb 0.54 -1.35 -0.04 0.00 -0.65 0.00 0.00 35.03 33.53 1f4j n LYS 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1f4j n ALA 97 N 0.09 1.29 -0.34 0.58 0.00 -1.21 -4.81 120.51 116.11 1f4j n ALA 97 Ca 0.15 0.31 0.15 0.00 0.00 0.00 0.00 53.44 54.05 1f4j n ALA 97 Cb 0.26 -2.51 0.36 0.00 0.00 0.00 0.00 19.45 17.56 1f4j n ALA 97 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1f4j h LYS 98 N 8.66 0.67 -0.10 0.00 1.57 -1.92 0.27 116.57 125.72 1f4j h LYS 98 Ca -0.48 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.29 1f4j h LYS 98 Cb 1.26 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 1f4j h LYS 98 CO 0.94 0.44 0.49 -0.24 -0.57 0.00 0.00 179.45 180.51 1f4j h VAL 99 N 0.69 0.06 0.00 0.50 3.04 -1.94 0.66 116.25 119.25 1f4j h VAL 99 Ca 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.28 1f4j h VAL 99 Cb 1.02 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 1f4j h VAL 99 CO -0.38 0.00 -0.80 0.49 -1.01 0.00 0.00 177.57 175.87 1f4j n PHE 100 N -2.97 0.00 0.00 3.17 3.72 0.89 -4.81 117.46 117.46 1f4j n PHE 100 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1f4j n PHE 100 Cb 0.56 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1f4j n PHE 100 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1f4j n GLU 101 N -1.43 0.00 -3.52 -1.08 2.13 0.23 -4.52 120.64 112.44 1f4j n GLU 101 Ca 0.01 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.72 1f4j n GLU 101 Cb 0.21 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.89 1f4j n GLU 101 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1f4j s HIS 102 N -3.55 -0.41 0.24 4.31 -3.43 -1.26 -4.99 115.29 106.19 1f4j s HIS 102 Ca 0.00 0.46 -0.31 0.00 -0.80 0.00 0.00 55.06 54.41 1f4j s HIS 102 Cb 0.00 0.50 -0.12 0.00 -1.43 0.00 0.00 32.58 31.53 1f4j s HIS 102 CO 0.00 -0.53 1.69 -0.89 -2.00 0.00 0.00 174.74 173.01 1f4j n ILE 103 N 0.17 0.34 0.00 -5.38 5.41 -1.26 -1.86 119.36 116.77 1f4j n ILE 103 Ca -0.11 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.55 1f4j n ILE 103 Cb 0.60 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 1f4j n ILE 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1f4j n GLY 104 N 3.37 2.12 3.70 7.39 0.00 0.24 -4.99 105.19 117.03 1f4j n GLY 104 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1f4j n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f4j s LYS 105 N -0.85 4.18 -0.10 1.61 2.20 -0.78 -4.65 119.74 121.36 1f4j s LYS 105 Ca 0.00 2.42 -0.02 0.00 -0.36 0.00 0.00 55.97 58.01 1f4j s LYS 105 Cb 0.00 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 1f4j s LYS 105 CO 0.00 -0.73 -0.00 0.15 -0.36 0.00 0.00 175.35 174.41 1f4j s LYS 106 N 2.17 3.09 -0.09 4.03 1.02 -1.26 -1.32 119.74 127.37 1f4j s LYS 106 Ca 0.75 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 56.32 1f4j s LYS 106 Cb -0.43 -2.81 0.02 0.00 -0.52 0.00 0.00 37.83 34.09 1f4j s LYS 106 CO 0.33 0.63 -0.10 0.99 -0.92 0.00 0.00 175.35 176.28 1f4j s THR 107 N -0.68 1.09 0.57 2.17 2.01 0.14 -4.94 115.64 115.99 1f4j s THR 107 Ca 0.11 -0.38 -0.21 0.00 0.31 0.00 0.00 61.69 61.52 1f4j s THR 107 Cb -0.12 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1f4j s THR 107 CO 0.02 0.36 1.33 -2.16 -0.69 0.00 0.00 174.62 173.49 1f4j s PRO 108 N 1.26 3.01 0.12 4.92 0.04 -1.26 -0.00 135.00 143.07 1f4j s PRO 108 Ca -0.03 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.18 1f4j s PRO 108 Cb -0.14 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1f4j s PRO 108 CO -0.03 -1.27 -0.02 0.96 0.04 0.00 0.00 177.00 176.67 1f4j s ILE 109 N -1.34 0.55 -0.02 0.56 -4.36 0.11 -2.15 121.20 114.55 1f4j s ILE 109 Ca 0.74 -1.93 0.04 0.00 -0.26 0.00 0.00 60.65 59.24 1f4j s ILE 109 Cb -0.39 -1.84 -0.00 0.00 1.25 0.00 0.00 42.46 41.47 1f4j s ILE 109 CO 0.45 -0.72 -0.14 0.00 0.24 0.00 0.00 174.94 174.78 1f4j s ALA 110 N -3.73 1.20 0.03 2.27 0.00 -0.76 -1.31 121.76 119.46 1f4j s ALA 110 Ca 0.16 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.60 1f4j s ALA 110 Cb 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1f4j s ALA 110 CO -0.02 0.25 -0.11 0.08 0.00 0.00 0.00 175.76 175.95 1f4j s VAL 111 N -0.09 0.87 -0.06 0.00 1.01 0.32 -0.89 120.40 121.56 1f4j s VAL 111 Ca 0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1f4j s VAL 111 Cb -0.08 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.52 1f4j s VAL 111 CO 0.00 -0.05 0.01 -0.60 0.00 0.00 0.00 175.10 174.47 1f4j s ARG 112 N -1.04 0.43 0.35 2.72 3.52 -1.00 -1.79 118.95 122.15 1f4j s ARG 112 Ca -0.01 0.16 0.03 0.00 -0.13 0.00 0.00 55.73 55.79 1f4j s ARG 112 Cb -0.07 -0.82 -0.02 0.00 -1.56 0.00 0.00 34.95 32.48 1f4j s ARG 112 CO 0.01 -0.29 0.52 -0.06 -0.81 0.00 0.00 175.30 174.67 1f4j s PHE 113 N 1.90 3.27 0.03 5.12 0.08 0.78 -2.16 117.98 127.01 1f4j s PHE 113 Ca 0.03 0.05 -0.28 0.00 0.12 0.00 0.00 56.93 56.85 1f4j s PHE 113 Cb -0.12 -1.99 0.10 0.00 -0.57 0.00 0.00 43.02 40.43 1f4j s PHE 113 CO -0.04 -0.01 1.22 -1.54 -0.10 0.00 0.00 175.22 174.75 1f4j s SER 114 N -4.13 -0.04 0.21 1.36 1.04 -1.09 -1.73 113.70 109.31 1f4j s SER 114 Ca 0.43 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.63 1f4j s SER 114 Cb -0.10 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.29 1f4j s SER 114 CO 0.34 -0.45 0.19 0.35 0.98 0.00 0.00 173.24 174.65 1f4j n THR 115 N -0.63 0.00 -0.01 2.02 -2.24 -1.11 -0.73 114.28 111.57 1f4j n THR 115 Ca -0.04 -0.78 -0.03 0.00 -2.27 0.00 0.00 64.05 60.92 1f4j n THR 115 Cb 0.61 -0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 1f4j n THR 115 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1f4j n VAL 116 N -1.12 1.04 0.03 2.28 0.31 -1.26 -3.48 118.33 116.13 1f4j n VAL 116 Ca 0.01 0.27 -0.11 0.00 -0.01 0.00 0.00 64.34 64.50 1f4j n VAL 116 Cb 0.23 -1.77 -0.08 0.00 -0.91 0.00 0.00 33.84 31.31 1f4j n VAL 116 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f4j h ALA 117 N -0.56 -0.16 -2.70 3.52 0.00 -1.94 -0.54 119.26 116.87 1f4j h ALA 117 Ca 0.00 -0.25 -0.57 0.00 0.00 0.00 0.00 54.91 54.09 1f4j h ALA 117 Cb 0.35 0.06 0.14 0.00 0.00 0.00 0.00 17.79 18.34 1f4j h ALA 117 CO 0.00 -0.26 0.29 0.41 0.00 0.00 0.00 179.25 179.69 1f4j n GLY 118 N 0.68 0.07 2.26 0.00 0.00 -1.26 -4.89 105.19 102.06 1f4j n GLY 118 Ca -0.08 0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 1f4j n GLY 118 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1f4j n GLU 119 N -0.38 -0.09 0.14 1.61 0.00 -1.26 -3.97 120.64 116.69 1f4j n GLU 119 Ca 0.10 -1.47 0.12 0.00 0.00 0.00 0.00 57.16 55.92 1f4j n GLU 119 Cb 0.42 -0.51 0.30 0.00 0.00 0.00 0.00 31.44 31.65 1f4j n GLU 119 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1f4j h SER 120 N -0.55 0.00 -0.03 -1.84 0.02 -1.96 -0.66 113.55 108.54 1f4j h SER 120 Ca -0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1f4j h SER 120 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1f4j h SER 120 CO 0.20 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 1f4j n GLY 121 N -1.54 -0.11 3.56 -3.77 0.00 -1.26 -4.86 105.19 97.22 1f4j n GLY 121 Ca 0.08 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 1f4j n GLY 121 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f4j s SER 122 N -1.01 1.75 0.32 1.61 1.04 -0.25 -5.00 113.70 112.15 1f4j s SER 122 Ca 0.15 1.74 -0.21 0.00 0.48 0.00 0.00 55.95 58.11 1f4j s SER 122 Cb 0.10 -2.39 -0.10 0.00 0.10 0.00 0.00 66.02 63.74 1f4j s SER 122 CO 0.15 -3.76 0.85 0.00 0.98 0.00 0.00 173.24 171.46 1f4j s ALA 123 N -2.55 3.24 0.11 5.32 0.00 -1.26 -4.82 121.76 121.80 1f4j s ALA 123 Ca 0.68 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 1f4j s ALA 123 Cb -0.24 -3.00 -0.12 0.00 0.00 0.00 0.00 23.12 19.76 1f4j s ALA 123 CO 0.62 0.23 1.32 -0.44 0.00 0.00 0.00 175.76 177.49 1f4j h ASP 124 N 2.74 0.85 -1.83 0.00 5.19 -1.08 -3.39 116.42 118.90 1f4j h ASP 124 Ca -0.48 -0.58 -0.74 0.00 -0.62 0.00 0.00 57.03 54.62 1f4j h ASP 124 Cb 1.19 -0.25 -0.16 0.00 0.18 0.00 0.00 39.33 40.28 1f4j h ASP 124 CO 0.64 1.37 1.63 0.35 -3.12 0.00 0.00 179.24 180.11 1f4j n THR 125 N -3.90 4.24 -3.95 0.35 -2.24 -1.26 -4.93 114.28 102.59 1f4j n THR 125 Ca -0.07 -4.57 -0.09 0.00 -2.27 0.00 0.00 64.05 57.05 1f4j n THR 125 Cb 0.76 -2.43 -0.10 0.00 -2.10 0.00 0.00 70.33 66.45 1f4j n THR 125 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1f4j s VAL 126 N 1.45 0.12 0.18 2.28 -7.23 -1.26 -4.53 120.40 111.40 1f4j s VAL 126 Ca 0.43 -0.97 -0.32 0.00 -1.81 0.00 0.00 61.98 59.31 1f4j s VAL 126 Cb 0.01 -0.54 -0.11 0.00 0.56 0.00 0.00 36.38 36.31 1f4j s VAL 126 CO 0.01 -0.53 1.73 -0.60 -0.31 0.00 0.00 175.10 175.39 1f4j s ARG 127 N -1.88 4.14 0.00 4.82 3.52 -1.26 -4.74 118.95 123.54 1f4j s ARG 127 Ca -0.12 2.57 0.00 0.00 -0.13 0.00 0.00 55.73 58.05 1f4j s ARG 127 Cb -0.06 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.10 1f4j s ARG 127 CO -0.02 -0.76 0.00 -3.47 -0.81 0.00 0.00 175.30 170.24 1f4j n ASP 128 N 4.46 0.00 -3.64 -2.12 2.03 -1.11 -5.04 116.55 111.13 1f4j n ASP 128 Ca 0.16 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.17 1f4j n ASP 128 Cb 0.36 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 41.04 1f4j n ASP 128 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1f4j s PRO 129 N -2.00 -2.41 -0.06 -0.67 0.02 -1.26 -4.79 135.00 123.83 1f4j s PRO 129 Ca 0.00 0.19 0.01 0.00 0.02 0.00 0.00 61.00 61.21 1f4j s PRO 129 Cb 0.00 -1.43 0.02 0.00 0.02 0.00 0.00 34.50 33.11 1f4j s PRO 129 CO 0.00 -4.55 -0.05 1.03 -0.33 0.00 0.00 177.00 173.10 1f4j s ARG 130 N -5.05 1.02 0.55 5.54 1.81 -1.26 -4.09 118.95 117.47 1f4j s ARG 130 Ca 0.69 -0.14 -0.19 0.00 -1.72 0.00 0.00 55.73 54.38 1f4j s ARG 130 Cb -0.14 -1.05 -0.06 0.00 -0.45 0.00 0.00 34.95 33.25 1f4j s ARG 130 CO 0.58 -0.13 1.09 0.20 -0.68 0.00 0.00 175.30 176.36 1f4j s GLY 131 N 1.17 2.45 -0.46 -3.53 0.00 0.09 -1.58 107.32 105.46 1f4j s GLY 131 Ca -0.07 0.65 0.06 0.00 0.00 0.00 0.00 44.72 45.36 1f4j s GLY 131 CO -0.01 0.99 0.58 0.33 0.00 0.00 0.00 173.10 174.98 1f4j n PHE 132 N -1.44 -2.27 -3.13 1.90 -0.00 0.52 -2.68 117.46 110.36 1f4j n PHE 132 Ca 0.10 -2.41 -0.39 0.00 -0.00 0.00 0.00 57.45 54.75 1f4j n PHE 132 Cb 0.52 0.81 -0.06 0.00 -0.00 0.00 0.00 39.48 40.75 1f4j n PHE 132 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1f4j s ALA 133 N 0.28 3.47 -0.10 3.13 0.00 -0.92 -2.30 121.76 125.33 1f4j s ALA 133 Ca 0.32 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.42 1f4j s ALA 133 Cb 0.07 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.40 1f4j s ALA 133 CO -0.14 0.21 -0.08 0.08 0.00 0.00 0.00 175.76 175.83 1f4j s VAL 134 N -0.49 1.01 -0.32 0.00 1.01 -0.88 -2.38 120.40 118.35 1f4j s VAL 134 Ca 0.33 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 1f4j s VAL 134 Cb -0.20 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1f4j s VAL 134 CO 0.20 0.36 0.11 -0.75 0.00 0.00 0.00 175.10 175.02 1f4j s LYS 135 N 1.54 2.87 -0.31 2.72 2.20 -0.07 -0.55 119.74 128.14 1f4j s LYS 135 Ca 0.02 -1.01 -0.15 0.00 -0.36 0.00 0.00 55.97 54.46 1f4j s LYS 135 Cb -0.13 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.70 1f4j s LYS 135 CO -0.06 -0.57 0.37 -0.06 -0.36 0.00 0.00 175.35 174.67 1f4j s PHE 136 N 1.47 3.22 -1.01 4.03 0.40 -0.25 -1.83 117.98 124.01 1f4j s PHE 136 Ca 0.01 0.16 -0.21 0.00 -0.60 0.00 0.00 56.93 56.30 1f4j s PHE 136 Cb -0.18 -2.63 0.09 0.00 0.51 0.00 0.00 43.02 40.80 1f4j s PHE 136 CO 0.03 -0.35 1.35 0.71 0.70 0.00 0.00 175.22 177.66 1f4j s TYR 137 N 2.05 2.82 0.62 0.36 1.51 -0.91 -1.03 117.35 122.76 1f4j s TYR 137 Ca 0.13 -1.17 -0.02 0.00 -1.01 0.00 0.00 57.07 55.00 1f4j s TYR 137 Cb -0.16 -4.53 0.05 0.00 -0.11 0.00 0.00 41.96 37.21 1f4j s TYR 137 CO 0.11 -1.73 0.88 0.95 -1.11 0.00 0.00 175.55 174.65 1f4j s THR 138 N 3.89 2.51 0.13 -0.71 -4.23 -0.86 -4.54 115.64 111.84 1f4j s THR 138 Ca 0.41 -0.49 0.25 0.00 -1.18 0.00 0.00 61.69 60.69 1f4j s THR 138 Cb -0.02 -3.01 0.26 0.00 1.34 0.00 0.00 72.50 71.07 1f4j s THR 138 CO -0.08 -0.01 1.85 -0.33 -0.54 0.00 0.00 174.62 175.51 1f4j h GLU 139 N -0.22 0.00 -0.96 3.99 5.08 -1.94 -2.52 114.58 118.01 1f4j h GLU 139 Ca -0.43 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.52 1f4j h GLU 139 Cb 1.30 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.31 1f4j h GLU 139 CO 0.56 0.19 0.52 -0.25 -1.00 0.00 0.00 179.01 179.03 1f4j n ASP 140 N -3.36 3.84 0.00 1.42 8.00 -1.26 -4.50 116.55 120.69 1f4j n ASP 140 Ca 0.00 -3.36 0.00 0.00 0.71 0.00 0.00 54.79 52.15 1f4j n ASP 140 Cb 0.41 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 1f4j n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f4j n GLY 141 N -0.79 0.50 3.81 0.44 0.00 -0.95 -4.63 105.19 103.58 1f4j n GLY 141 Ca 0.50 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1f4j n GLY 141 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f4j s ASN 142 N -0.62 6.66 -0.21 1.61 0.01 -1.26 -2.02 114.94 119.11 1f4j s ASN 142 Ca 0.00 1.76 -0.00 0.00 -0.71 0.00 0.00 52.86 53.90 1f4j s ASN 142 Cb 0.00 -2.54 0.06 0.00 0.41 0.00 0.00 41.25 39.17 1f4j s ASN 142 CO 0.00 -0.56 -0.03 0.86 -1.51 0.00 0.00 177.10 175.87 1f4j s TRP 143 N -2.18 1.89 -0.24 2.20 -0.00 -0.20 -4.19 118.94 116.22 1f4j s TRP 143 Ca 0.63 -1.38 -0.13 0.00 -0.00 0.00 0.00 56.10 55.22 1f4j s TRP 143 Cb -0.12 -1.38 -0.04 0.00 -0.00 0.00 0.00 33.47 31.93 1f4j s TRP 143 CO 0.18 -0.70 0.27 -0.51 -0.00 0.00 0.00 176.95 176.19 1f4j s ASP 144 N 1.57 6.23 -0.69 5.86 -0.00 -0.71 -1.08 116.67 127.84 1f4j s ASP 144 Ca -0.03 0.25 -0.01 0.00 -0.00 0.00 0.00 52.55 52.76 1f4j s ASP 144 Cb -0.18 -2.16 0.17 0.00 -0.00 0.00 0.00 42.92 40.75 1f4j s ASP 144 CO -0.07 -0.03 0.51 -0.22 -0.00 0.00 0.00 175.17 175.36 1f4j s LEU 145 N 1.35 5.16 -1.17 1.23 2.96 0.29 -4.53 118.68 123.96 1f4j s LEU 145 Ca 0.12 -3.21 -0.18 0.00 -0.22 0.00 0.00 54.13 50.65 1f4j s LEU 145 Cb -0.14 -1.82 0.10 0.00 0.50 0.00 0.00 46.19 44.83 1f4j s LEU 145 CO 0.07 -0.27 1.51 -0.69 -1.32 0.00 0.00 176.35 175.65 1f4j s VAL 146 N -0.57 4.42 0.49 1.68 1.01 -1.26 -2.07 120.40 124.10 1f4j s VAL 146 Ca 0.20 -1.84 0.04 0.00 0.00 0.00 0.00 61.98 60.39 1f4j s VAL 146 Cb -0.16 -5.03 -0.01 0.00 0.00 0.00 0.00 36.38 31.18 1f4j s VAL 146 CO -0.07 -1.83 0.19 -0.83 0.00 0.00 0.00 175.10 172.56 1f4j s GLY 147 N 3.91 2.60 0.03 4.51 0.00 -0.97 -4.92 107.32 112.48 1f4j s GLY 147 Ca 0.46 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1f4j s GLY 147 CO -0.00 -2.03 0.01 0.70 0.00 0.00 0.00 173.10 171.78 1f4j n ASN 148 N -1.42 1.57 -1.93 1.64 4.13 -0.85 0.19 115.26 118.60 1f4j n ASN 148 Ca -0.08 -1.12 -0.18 0.00 1.68 0.00 0.00 54.58 54.89 1f4j n ASN 148 Cb 0.65 0.01 0.14 0.00 -1.54 0.00 0.00 39.78 39.04 1f4j n ASN 148 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1f4j n ASN 149 N -1.52 3.58 -3.79 6.41 6.94 -0.61 -0.26 115.26 126.01 1f4j n ASN 149 Ca -0.01 -3.21 -0.13 0.00 -0.02 0.00 0.00 54.58 51.21 1f4j n ASN 149 Cb 0.04 -0.76 -0.10 0.00 -2.36 0.00 0.00 39.78 36.60 1f4j n ASN 149 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1f4j s THR 150 N -2.50 0.04 -0.73 5.53 -1.32 -1.26 -4.74 115.64 110.66 1f4j s THR 150 Ca 0.43 -0.35 0.26 0.00 -1.21 0.00 0.00 61.69 60.82 1f4j s THR 150 Cb 0.36 -0.49 0.28 0.00 -1.51 0.00 0.00 72.50 71.15 1f4j s THR 150 CO 0.08 -0.19 1.78 -0.81 -2.21 0.00 0.00 174.62 173.27 1f4j n PRO 151 N 1.92 0.24 -4.46 7.08 -0.04 -1.26 -4.58 135.00 133.90 1f4j n PRO 151 Ca -0.19 0.22 -0.23 0.00 -0.04 0.00 0.00 63.50 63.26 1f4j n PRO 151 Cb 0.57 -1.79 -0.09 0.00 -0.04 0.00 0.00 33.50 32.15 1f4j n PRO 151 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1f4j s ILE 152 N -3.12 0.62 0.31 0.52 -4.36 -1.26 -4.50 121.20 109.42 1f4j s ILE 152 Ca 0.10 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.53 1f4j s ILE 152 Cb 0.12 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 41.34 1f4j s ILE 152 CO 0.57 0.00 0.18 0.12 0.24 0.00 0.00 174.94 176.05 1f4j s PHE 153 N -3.31 1.60 0.24 1.37 5.36 -0.78 -4.92 117.98 117.53 1f4j s PHE 153 Ca 0.29 -1.43 0.05 0.00 -0.96 0.00 0.00 56.93 54.87 1f4j s PHE 153 Cb 0.04 -0.81 0.25 0.00 -0.34 0.00 0.00 43.02 42.16 1f4j s PHE 153 CO 0.16 -0.60 1.56 0.74 -1.46 0.00 0.00 175.22 175.61 1f4j h PHE 154 N 2.21 0.27 -3.53 10.12 0.04 -1.89 -3.39 116.94 120.77 1f4j h PHE 154 Ca -0.32 -0.11 -0.32 0.00 2.80 0.00 0.00 57.97 60.03 1f4j h PHE 154 Cb 1.25 -0.05 -0.15 0.00 2.20 0.00 0.00 35.95 39.20 1f4j h PHE 154 CO 1.15 0.77 -0.68 0.96 -0.60 0.00 0.00 178.31 179.91 1f4j s ILE 155 N -3.72 0.93 -0.10 -0.55 -4.36 -1.26 -2.84 121.20 109.29 1f4j s ILE 155 Ca -0.04 -2.02 0.12 0.00 -0.26 0.00 0.00 60.65 58.45 1f4j s ILE 155 Cb 0.12 -2.05 0.19 0.00 1.25 0.00 0.00 42.46 41.97 1f4j s ILE 155 CO 0.80 -0.56 1.11 -2.11 0.24 0.00 0.00 174.94 174.41 1f4j n ARG 156 N -0.26 2.02 -3.69 0.37 1.85 -1.26 -4.71 116.66 110.98 1f4j n ARG 156 Ca -0.08 -2.18 -0.17 0.00 -1.00 0.00 0.00 57.85 54.42 1f4j n ARG 156 Cb 0.62 -1.32 -0.16 0.00 -1.05 0.00 0.00 32.46 30.55 1f4j n ARG 156 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1f4j s ASP 157 N -2.10 0.70 0.61 2.89 -1.08 -1.26 -4.17 116.67 112.26 1f4j s ASP 157 Ca 0.20 0.21 0.28 0.00 -0.52 0.00 0.00 52.55 52.72 1f4j s ASP 157 Cb 0.18 0.08 1.45 0.00 -1.46 0.00 0.00 42.92 43.16 1f4j s ASP 157 CO 0.02 -0.22 1.85 1.55 0.52 0.00 0.00 175.17 178.89 1f4j h PRO 158 N 8.13 0.00 0.00 4.34 0.13 -1.86 -2.13 132.00 140.61 1f4j h PRO 158 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1f4j h PRO 158 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1f4j h PRO 158 CO 0.22 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.50 1f4j n ILE 159 N -3.48 0.93 0.88 -3.56 3.06 -1.26 -1.92 119.36 114.01 1f4j n ILE 159 Ca 0.07 0.23 0.09 0.00 -2.50 0.00 0.00 62.75 60.64 1f4j n ILE 159 Cb 0.65 -0.99 -0.04 0.00 0.54 0.00 0.00 39.64 39.80 1f4j n ILE 159 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1f4j n LEU 160 N -1.45 1.48 -0.25 9.51 4.77 -0.80 -4.55 117.00 125.71 1f4j n LEU 160 Ca 0.04 -0.66 -0.06 0.00 -0.03 0.00 0.00 56.01 55.30 1f4j n LEU 160 Cb 0.15 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1f4j n LEU 160 CO 0.13 0.30 1.08 0.15 -1.33 0.00 0.00 177.39 177.71 1f4j h PHE 161 N 1.31 0.98 -0.59 -1.77 3.04 -1.53 0.13 116.94 118.52 1f4j h PHE 161 Ca 0.00 -0.04 -0.07 0.00 3.98 0.00 0.00 57.97 61.85 1f4j h PHE 161 Cb 0.58 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 1f4j h PHE 161 CO 0.00 0.72 0.11 -1.35 -2.02 0.00 0.00 178.31 175.77 1f4j h PRO 162 N 0.97 0.96 0.11 6.41 0.11 -1.80 -0.37 132.00 138.38 1f4j h PRO 162 Ca 0.24 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1f4j h PRO 162 Cb 0.08 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1f4j h PRO 162 CO -0.03 0.90 -0.11 0.77 -0.21 0.00 0.00 178.00 179.32 1f4j h SER 163 N 0.87 -0.30 -0.86 -2.05 0.02 -1.74 0.81 113.55 110.30 1f4j h SER 163 Ca 0.18 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.26 1f4j h SER 163 Cb 0.40 0.11 -0.08 0.00 0.14 0.00 0.00 62.40 62.97 1f4j h SER 163 CO 0.01 -0.17 0.50 0.15 -1.14 0.00 0.00 176.83 176.18 1f4j h PHE 164 N -0.25 0.91 -0.27 3.45 3.57 -0.59 -0.68 116.94 123.08 1f4j h PHE 164 Ca 0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1f4j h PHE 164 Cb 0.24 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1f4j h PHE 164 CO -0.12 0.36 -0.04 0.82 -2.23 0.00 0.00 178.31 177.10 1f4j h ILE 165 N 0.82 1.27 -0.63 1.41 1.08 -0.48 -2.36 117.51 118.63 1f4j h ILE 165 Ca 0.42 -1.03 0.07 0.00 -0.39 0.00 0.00 64.86 63.93 1f4j h ILE 165 Cb 0.40 1.39 -0.06 0.00 -3.07 0.00 0.00 36.82 35.48 1f4j h ILE 165 CO -0.26 0.33 0.30 0.45 -0.69 0.00 0.00 178.15 178.28 1f4j h HIS 166 N 0.28 0.54 0.00 1.37 3.86 -0.08 -1.34 115.15 119.78 1f4j h HIS 166 Ca 0.07 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1f4j h HIS 166 Cb 0.50 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 1f4j h HIS 166 CO 0.05 0.22 -0.10 0.66 0.86 0.00 0.00 177.93 179.62 1f4j h SER 167 N 0.55 0.00 1.24 2.45 4.64 -0.94 -2.15 113.55 119.33 1f4j h SER 167 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1f4j h SER 167 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1f4j h SER 167 CO -0.23 0.10 -0.45 1.56 -0.87 0.00 0.00 176.83 176.94 1f4j h GLN 168 N 0.00 0.00 0.00 4.77 1.08 -0.73 -3.14 115.11 117.10 1f4j h GLN 168 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1f4j h GLN 168 Cb 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1f4j h GLN 168 CO 0.01 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.52 1f4j n LYS 169 N -2.44 2.73 -2.24 1.46 5.02 -0.81 -4.92 118.16 116.96 1f4j n LYS 169 Ca 0.03 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.95 1f4j n LYS 169 Cb 0.48 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.48 1f4j n LYS 169 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1f4j s ARG 170 N 2.31 3.75 0.34 1.97 0.52 -1.26 -4.29 118.95 122.29 1f4j s ARG 170 Ca 0.00 1.79 -0.29 0.00 -0.52 0.00 0.00 55.73 56.72 1f4j s ARG 170 Cb 0.00 -2.41 -0.12 0.00 0.52 0.00 0.00 34.95 32.94 1f4j s ARG 170 CO 0.00 -0.57 1.44 -1.71 0.02 0.00 0.00 175.30 174.49 1f4j n ASN 171 N -0.48 3.40 0.13 0.23 2.85 0.64 -4.84 115.26 117.19 1f4j n ASN 171 Ca 0.07 1.20 0.11 0.00 -0.11 0.00 0.00 54.58 55.85 1f4j n ASN 171 Cb 0.48 -1.56 0.50 0.00 1.24 0.00 0.00 39.78 40.44 1f4j n ASN 171 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1f4j n PRO 172 N 0.94 0.17 -0.08 1.20 -0.04 -1.26 -1.59 135.00 134.34 1f4j n PRO 172 Ca 0.05 0.48 -0.16 0.00 -0.04 0.00 0.00 63.50 63.82 1f4j n PRO 172 Cb 0.37 -1.88 -0.06 0.00 -0.04 0.00 0.00 33.50 31.89 1f4j n PRO 172 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1f4j n GLN 173 N -2.20 0.34 0.11 0.54 7.27 -1.26 -4.72 117.38 117.46 1f4j n GLN 173 Ca 0.01 0.14 0.02 0.00 0.07 0.00 0.00 57.00 57.25 1f4j n GLN 173 Cb 0.17 -1.10 -0.01 0.00 2.41 0.00 0.00 30.24 31.71 1f4j n GLN 173 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1f4j h THR 174 N -0.50 0.70 -0.92 1.69 1.35 -1.97 -3.47 112.91 109.78 1f4j h THR 174 Ca -0.40 -2.08 -0.19 0.00 -0.55 0.00 0.00 66.41 63.20 1f4j h THR 174 Cb 1.38 2.26 -0.04 0.00 -1.73 0.00 0.00 68.15 70.01 1f4j h THR 174 CO -0.22 0.40 -0.21 1.57 -0.25 0.00 0.00 175.52 176.81 1f4j n HIS 175 N -3.10 -0.24 -4.20 4.73 -0.00 -0.62 -4.96 115.22 106.83 1f4j n HIS 175 Ca -0.02 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.92 1f4j n HIS 175 Cb 0.75 -2.10 -0.07 0.00 -0.12 0.00 0.00 29.99 28.45 1f4j n HIS 175 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1f4j s LEU 176 N -2.43 3.43 0.57 0.27 1.43 -1.26 -4.66 118.68 116.03 1f4j s LEU 176 Ca 0.00 -0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 52.49 1f4j s LEU 176 Cb 0.00 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1f4j s LEU 176 CO 0.00 0.04 1.29 -0.54 0.23 0.00 0.00 176.35 177.37 1f4j s LYS 177 N -3.32 3.01 -0.28 1.70 -0.14 -1.26 -0.26 119.74 119.18 1f4j s LYS 177 Ca 0.30 2.06 -0.03 0.00 -1.36 0.00 0.00 55.97 56.94 1f4j s LYS 177 Cb -0.08 -2.09 0.09 0.00 -1.68 0.00 0.00 37.83 34.07 1f4j s LYS 177 CO 0.21 -1.24 0.11 0.34 -0.76 0.00 0.00 175.35 174.01 1f4j s ASP 178 N -1.24 3.53 0.39 2.83 3.68 -1.26 -4.81 116.67 119.79 1f4j s ASP 178 Ca 0.75 -1.30 0.09 0.00 2.13 0.00 0.00 52.55 54.22 1f4j s ASP 178 Cb -0.36 -0.48 0.85 0.00 -1.45 0.00 0.00 42.92 41.47 1f4j s ASP 178 CO 0.41 -0.42 1.96 -0.65 0.13 0.00 0.00 175.17 176.60 1f4j h PRO 179 N 8.32 0.61 -0.55 4.34 0.11 -1.92 -0.07 132.00 142.83 1f4j h PRO 179 Ca -0.18 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.84 1f4j h PRO 179 Cb 1.03 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 1f4j h PRO 179 CO 0.43 0.40 0.10 -0.44 -0.21 0.00 0.00 178.00 178.28 1f4j h ASP 180 N 0.63 0.82 -0.22 -2.05 5.19 -1.94 -0.31 116.42 118.54 1f4j h ASP 180 Ca 0.31 -0.17 -0.06 0.00 -0.62 0.00 0.00 57.03 56.50 1f4j h ASP 180 Cb 0.39 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 1f4j h ASP 180 CO -0.10 0.83 -0.08 0.24 -3.12 0.00 0.00 179.24 177.00 1f4j h MET 181 N 0.83 0.45 0.56 3.56 2.86 -1.36 1.00 114.93 122.82 1f4j h MET 181 Ca 0.18 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1f4j h MET 181 Cb 0.35 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1f4j h MET 181 CO 0.01 0.71 -0.50 0.28 1.06 0.00 0.00 176.91 178.47 1f4j h VAL 182 N 0.16 0.02 0.00 -2.22 2.07 -0.84 -2.98 116.25 112.47 1f4j h VAL 182 Ca 0.05 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.43 1f4j h VAL 182 Cb 0.56 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1f4j h VAL 182 CO 0.03 0.00 -0.68 -0.50 0.02 0.00 0.00 177.57 176.44 1f4j h TRP 183 N -1.04 0.00 -0.28 1.57 4.06 -1.13 -2.60 115.95 116.53 1f4j h TRP 183 Ca -0.07 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.90 1f4j h TRP 183 Cb 0.89 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.03 1f4j h TRP 183 CO -0.22 0.68 0.15 0.22 -3.56 0.00 0.00 178.44 175.71 1f4j h ASP 184 N 0.00 0.23 0.50 -3.49 3.58 -0.83 0.16 116.42 116.57 1f4j h ASP 184 Ca -0.01 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1f4j h ASP 184 Cb 1.30 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1f4j h ASP 184 CO 0.09 0.17 -0.24 0.15 -2.88 0.00 0.00 179.24 176.53 1f4j h PHE 185 N 0.31 -0.62 0.00 0.28 3.57 -1.49 -1.54 116.94 117.45 1f4j h PHE 185 Ca 0.11 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1f4j h PHE 185 Cb 0.02 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1f4j h PHE 185 CO -0.09 -0.37 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.09 1f4j h TRP 186 N -0.70 0.00 0.00 0.41 6.55 -1.28 -0.31 115.95 120.62 1f4j h TRP 186 Ca -0.07 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 59.60 1f4j h TRP 186 Cb 0.53 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.80 1f4j h TRP 186 CO -0.04 0.04 -1.13 0.66 -1.05 0.00 0.00 178.44 176.93 1f4j h SER 187 N 0.00 0.00 0.94 -3.49 4.64 -0.48 -3.25 113.55 111.90 1f4j h SER 187 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1f4j h SER 187 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1f4j h SER 187 CO 0.01 0.65 -0.50 0.18 -0.87 0.00 0.00 176.83 176.30 1f4j n LEU 188 N -3.06 0.68 -3.56 5.97 4.77 -0.60 -4.31 117.00 116.89 1f4j n LEU 188 Ca -0.06 0.27 -0.27 0.00 -0.03 0.00 0.00 56.01 55.92 1f4j n LEU 188 Cb 0.84 -0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 1f4j n LEU 188 CO 0.43 -0.06 -0.15 0.54 -1.33 0.00 0.00 177.39 176.82 1f4j n ARG 189 N -2.07 1.25 0.20 3.23 5.12 -0.18 -4.96 116.66 119.25 1f4j n ARG 189 Ca 0.04 -3.91 0.14 0.00 -1.93 0.00 0.00 57.85 52.18 1f4j n ARG 189 Cb 0.43 -1.93 0.71 0.00 -1.16 0.00 0.00 32.46 30.50 1f4j n ARG 189 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1f4j h PRO 190 N 5.09 0.00 -0.11 5.56 0.13 -1.75 -2.77 132.00 138.16 1f4j h PRO 190 Ca 0.19 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.35 1f4j h PRO 190 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1f4j h PRO 190 CO 0.59 0.00 0.18 1.05 -0.23 0.00 0.00 178.00 179.58 1f4j h GLU 191 N 0.00 0.00 0.00 0.86 9.09 -1.87 0.21 114.58 122.87 1f4j h GLU 191 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 1f4j h GLU 191 Cb 0.08 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.18 1f4j h GLU 191 CO 0.00 0.00 -0.03 0.66 0.05 0.00 0.00 179.01 179.69 1f4j h SER 192 N 0.00 0.00 -0.95 3.06 4.64 -1.33 -3.33 113.55 115.64 1f4j h SER 192 Ca 0.05 0.00 0.32 0.00 -0.47 0.00 0.00 61.79 61.69 1f4j h SER 192 Cb 0.40 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.32 1f4j h SER 192 CO -0.00 0.03 0.24 0.18 -0.87 0.00 0.00 176.83 176.41 1f4j n LEU 193 N -3.22 0.09 0.32 5.97 4.77 0.06 -1.09 117.00 123.90 1f4j n LEU 193 Ca -0.01 1.59 -0.12 0.00 -0.03 0.00 0.00 56.01 57.44 1f4j n LEU 193 Cb 0.21 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.57 1f4j n LEU 193 CO 0.25 -1.69 0.51 -0.74 -1.33 0.00 0.00 177.39 174.39 1f4j h HIS 194 N 0.00 -0.74 0.00 -1.77 2.76 -1.81 -1.07 115.15 112.51 1f4j h HIS 194 Ca 0.68 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.81 1f4j h HIS 194 Cb 1.61 0.25 -0.00 0.00 1.55 0.00 0.00 27.41 30.81 1f4j h HIS 194 CO -0.27 -0.46 -0.11 0.37 -1.30 0.00 0.00 177.93 176.16 1f4j h GLN 195 N -0.82 0.00 -0.25 5.26 5.75 -1.63 -2.00 115.11 121.41 1f4j h GLN 195 Ca -0.08 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.22 1f4j h GLN 195 Cb 0.62 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.17 1f4j h GLN 195 CO 0.13 0.11 -0.62 0.28 -2.65 0.00 0.00 178.83 176.08 1f4j h VAL 196 N 0.00 1.27 0.00 2.39 2.07 -1.04 0.68 116.25 121.62 1f4j h VAL 196 Ca -0.00 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.68 1f4j h VAL 196 Cb 0.36 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1f4j h VAL 196 CO 0.01 0.59 -0.14 0.28 0.02 0.00 0.00 177.57 178.33 1f4j h SER 197 N 0.64 0.00 0.14 0.57 0.02 -0.46 -1.53 113.55 112.93 1f4j h SER 197 Ca -0.01 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.69 1f4j h SER 197 Cb 1.24 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.79 1f4j h SER 197 CO 0.14 0.14 -1.23 0.15 -1.14 0.00 0.00 176.83 174.88 1f4j h PHE 198 N 0.00 0.54 0.00 3.45 3.04 -1.21 -3.23 116.94 119.53 1f4j h PHE 198 Ca -0.00 -0.40 -0.01 0.00 3.98 0.00 0.00 57.97 61.54 1f4j h PHE 198 Cb 0.31 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.80 1f4j h PHE 198 CO 0.00 1.48 -0.03 1.25 -2.02 0.00 0.00 178.31 178.99 1f4j h LEU 199 N -0.26 0.00 -2.59 0.59 5.85 -0.39 -1.58 115.31 116.93 1f4j h LEU 199 Ca -0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1f4j h LEU 199 Cb 1.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.81 1f4j h LEU 199 CO 0.12 0.03 0.00 0.49 -0.34 0.00 0.00 178.44 178.74 1f4j n PHE 200 N -4.37 0.85 -2.41 1.25 3.01 -0.62 -4.02 117.46 111.16 1f4j n PHE 200 Ca -0.03 -0.42 -0.24 0.00 1.01 0.00 0.00 57.45 57.77 1f4j n PHE 200 Cb 0.11 0.00 0.14 0.00 -0.01 0.00 0.00 39.48 39.72 1f4j n PHE 200 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1f4j n SER 201 N 1.60 0.98 0.04 4.37 3.41 -0.59 -4.42 113.62 119.00 1f4j n SER 201 Ca 0.23 -1.92 0.19 0.00 -0.26 0.00 0.00 58.87 57.11 1f4j n SER 201 Cb 0.61 -0.71 0.70 0.00 -0.26 0.00 0.00 64.21 64.55 1f4j n SER 201 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1f4j h ASP 202 N -0.86 0.00 0.00 4.04 3.32 -1.92 -0.59 116.42 120.41 1f4j h ASP 202 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1f4j h ASP 202 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1f4j h ASP 202 CO 0.33 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.39 1f4j n ARG 203 N -4.32 0.75 0.16 3.56 1.74 -1.26 -3.22 116.66 114.06 1f4j n ARG 203 Ca 0.08 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.18 1f4j n ARG 203 Cb 0.55 -1.28 0.25 0.00 -1.02 0.00 0.00 32.46 30.96 1f4j n ARG 203 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1f4j h GLY 204 N 4.06 0.00 -6.87 -0.13 0.00 -1.23 -3.37 103.07 95.53 1f4j h GLY 204 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1f4j h GLY 204 CO 0.00 0.00 -0.73 -0.42 0.00 0.00 0.00 176.54 175.39 1f4j s ILE 205 N -3.62 1.85 0.60 2.60 1.01 -1.20 -2.76 121.20 119.69 1f4j s ILE 205 Ca -0.01 -3.44 -0.19 0.00 0.00 0.00 0.00 60.65 57.02 1f4j s ILE 205 Cb 0.12 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 1f4j s ILE 205 CO 0.73 -1.04 1.22 -2.16 0.00 0.00 0.00 174.94 173.68 1f4j s PRO 206 N -0.62 2.94 -1.08 2.79 0.04 -1.26 -0.42 135.00 137.38 1f4j s PRO 206 Ca 0.26 1.85 -0.18 0.00 0.04 0.00 0.00 61.00 62.97 1f4j s PRO 206 Cb -0.07 -1.92 0.12 0.00 0.04 0.00 0.00 34.50 32.67 1f4j s PRO 206 CO -0.14 -1.24 1.36 0.34 0.04 0.00 0.00 177.00 177.36 1f4j s ASP 207 N -1.57 6.77 0.00 6.66 3.68 -0.27 -4.49 116.67 127.45 1f4j s ASP 207 Ca 0.78 -2.29 0.00 0.00 2.13 0.00 0.00 52.55 53.17 1f4j s ASP 207 Cb -0.31 -2.45 0.00 0.00 -1.45 0.00 0.00 42.92 38.71 1f4j s ASP 207 CO 0.34 -1.06 0.00 0.61 0.13 0.00 0.00 175.17 175.19 1f4j n GLY 208 N 5.30 -1.13 0.11 2.66 0.00 -1.26 -4.24 105.19 106.62 1f4j n GLY 208 Ca 0.33 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.84 1f4j n GLY 208 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1f4j h HIS 209 N 0.00 0.00 0.00 1.61 3.86 -1.89 -3.32 115.15 115.41 1f4j h HIS 209 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1f4j h HIS 209 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1f4j h HIS 209 CO 0.00 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.33 1f4j n ARG 210 N -2.41 0.20 -1.22 2.45 1.74 -1.26 -3.84 116.66 112.33 1f4j n ARG 210 Ca 0.03 0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 57.05 1f4j n ARG 210 Cb 0.47 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.54 1f4j n ARG 210 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1f4j n HIS 211 N -1.40 1.26 -4.22 -1.55 8.25 -1.25 -4.37 115.22 111.94 1f4j n HIS 211 Ca 0.10 -1.83 -0.14 0.00 -0.26 0.00 0.00 57.72 55.59 1f4j n HIS 211 Cb 0.28 -0.32 -0.10 0.00 1.12 0.00 0.00 29.99 30.97 1f4j n HIS 211 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1f4j s MET 212 N -3.40 0.99 0.67 -0.41 0.23 -1.25 -2.14 119.30 113.98 1f4j s MET 212 Ca 0.44 -1.35 -0.06 0.00 -1.03 0.00 0.00 55.69 53.70 1f4j s MET 212 Cb 0.39 -0.59 0.05 0.00 -1.53 0.00 0.00 34.83 33.14 1f4j s MET 212 CO -0.02 0.08 0.97 -0.80 -2.03 0.00 0.00 175.02 173.22 1f4j s ASN 213 N -2.91 5.03 -0.03 -1.18 0.01 -1.26 -4.13 114.94 110.47 1f4j s ASN 213 Ca 0.13 0.47 0.05 0.00 -0.71 0.00 0.00 52.86 52.80 1f4j s ASN 213 Cb 0.01 -1.22 -0.01 0.00 0.41 0.00 0.00 41.25 40.44 1f4j s ASN 213 CO 0.00 -1.44 -0.18 -0.83 -1.51 0.00 0.00 177.10 173.14 1f4j s GLY 214 N -4.46 0.92 -0.01 0.66 0.00 0.14 -4.15 107.32 100.41 1f4j s GLY 214 Ca 0.58 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 44.56 1f4j s GLY 214 CO 0.44 -0.55 -0.05 -0.19 0.00 0.00 0.00 173.10 172.75 1f4j s TYR 215 N -0.26 0.51 -0.34 1.90 2.02 0.65 -0.11 117.35 121.71 1f4j s TYR 215 Ca 0.03 -0.10 0.26 0.00 -0.37 0.00 0.00 57.07 56.89 1f4j s TYR 215 Cb -0.09 -0.34 0.68 0.00 -0.40 0.00 0.00 41.96 41.82 1f4j s TYR 215 CO 0.00 -0.02 1.73 0.78 -1.57 0.00 0.00 175.55 176.48 1f4j h GLY 216 N 6.07 0.00 0.00 0.71 0.00 -1.63 -2.26 103.07 105.95 1f4j h GLY 216 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1f4j h GLY 216 CO 0.50 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.48 1f4j n SER 217 N -2.96 0.00 -4.65 0.19 7.64 -1.26 -4.76 113.62 107.82 1f4j n SER 217 Ca 0.03 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.61 1f4j n SER 217 Cb 0.45 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.82 1f4j n SER 217 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1f4j s HIS 218 N 0.00 1.90 -0.23 1.43 3.76 -1.26 -4.85 115.29 116.04 1f4j s HIS 218 Ca 0.00 1.41 -0.14 0.00 -0.15 0.00 0.00 55.06 56.18 1f4j s HIS 218 Cb 0.00 -3.19 -0.04 0.00 1.11 0.00 0.00 32.58 30.46 1f4j s HIS 218 CO 0.00 -2.84 0.32 0.99 -0.85 0.00 0.00 174.74 172.36 1f4j s THR 219 N -2.73 5.24 0.55 1.30 2.01 -1.26 -4.59 115.64 116.16 1f4j s THR 219 Ca 0.65 0.52 0.05 0.00 0.31 0.00 0.00 61.69 63.22 1f4j s THR 219 Cb -0.21 -3.65 0.04 0.00 0.01 0.00 0.00 72.50 68.69 1f4j s THR 219 CO 0.59 0.25 0.38 -0.36 -0.69 0.00 0.00 174.62 174.79 1f4j s PHE 220 N 1.46 1.58 -0.07 4.92 0.40 -0.36 -3.52 117.98 122.39 1f4j s PHE 220 Ca 0.15 -0.87 0.05 0.00 -0.60 0.00 0.00 56.93 55.66 1f4j s PHE 220 Cb -0.15 -1.88 -0.01 0.00 0.51 0.00 0.00 43.02 41.49 1f4j s PHE 220 CO 0.08 -0.46 -0.24 0.21 0.70 0.00 0.00 175.22 175.51 1f4j s LYS 221 N -4.27 2.69 -0.02 0.44 2.20 0.11 -0.62 119.74 120.27 1f4j s LYS 221 Ca 0.31 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 1f4j s LYS 221 Cb -0.02 -2.17 -0.04 0.00 -1.51 0.00 0.00 37.83 34.09 1f4j s LYS 221 CO 0.20 0.29 0.02 -0.51 -0.36 0.00 0.00 175.35 174.99 1f4j s LEU 222 N 0.05 3.63 -0.04 5.43 1.43 0.14 -0.42 118.68 128.91 1f4j s LEU 222 Ca -0.10 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1f4j s LEU 222 Cb -0.15 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.04 1f4j s LEU 222 CO 0.06 0.30 -0.07 -0.69 0.23 0.00 0.00 176.35 176.17 1f4j s VAL 223 N -1.08 0.67 0.55 -1.59 1.01 0.25 -0.67 120.40 119.54 1f4j s VAL 223 Ca 0.19 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.00 1f4j s VAL 223 Cb -0.12 -0.64 0.07 0.00 0.00 0.00 0.00 36.38 35.70 1f4j s VAL 223 CO 0.10 0.23 0.76 0.54 0.00 0.00 0.00 175.10 176.73 1f4j s ASN 224 N 0.55 5.15 0.35 3.32 2.20 -0.36 -0.08 114.94 126.07 1f4j s ASN 224 Ca -0.08 -0.61 0.20 0.00 -0.94 0.00 0.00 52.86 51.43 1f4j s ASN 224 Cb -0.12 -0.08 1.07 0.00 -2.00 0.00 0.00 41.25 40.13 1f4j s ASN 224 CO 0.01 -1.25 1.56 0.00 -2.94 0.00 0.00 177.10 174.48 1f4j h ALA 225 N 0.19 1.09 0.00 3.54 0.00 -1.89 -0.10 119.26 122.09 1f4j h ALA 225 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1f4j h ALA 225 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1f4j h ALA 225 CO 0.43 -0.09 -0.78 0.09 0.00 0.00 0.00 179.25 178.90 1f4j n ASN 226 N -2.24 0.65 0.00 0.00 5.03 -1.26 -4.93 115.26 112.51 1f4j n ASN 226 Ca -0.01 -0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.40 1f4j n ASN 226 Cb 0.16 0.42 0.00 0.00 -1.02 0.00 0.00 39.78 39.33 1f4j n ASN 226 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f4j n GLY 227 N 1.36 0.56 3.75 7.41 0.00 -0.05 -5.05 105.19 113.18 1f4j n GLY 227 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1f4j n GLY 227 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f4j s GLU 228 N -0.84 4.59 0.16 1.61 2.02 -1.26 -4.81 118.70 120.18 1f4j s GLU 228 Ca 0.00 1.82 0.10 0.00 0.02 0.00 0.00 54.97 56.91 1f4j s GLU 228 Cb 0.00 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 1f4j s GLU 228 CO 0.00 0.11 -0.21 0.00 0.02 0.00 0.00 175.26 175.18 1f4j s ALA 229 N -0.78 2.20 0.11 5.21 0.00 -1.26 -1.22 121.76 126.01 1f4j s ALA 229 Ca 0.47 -1.51 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 1f4j s ALA 229 Cb -0.32 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1f4j s ALA 229 CO 0.40 0.35 0.08 0.14 0.00 0.00 0.00 175.76 176.72 1f4j s VAL 230 N -1.70 0.13 0.13 0.00 -7.23 0.15 -4.65 120.40 107.24 1f4j s VAL 230 Ca 0.16 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.61 1f4j s VAL 230 Cb -0.07 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1f4j s VAL 230 CO 0.07 -0.60 0.19 -0.31 -0.31 0.00 0.00 175.10 174.15 1f4j s TYR 231 N -3.99 3.33 0.34 2.82 2.02 -0.30 0.29 117.35 121.86 1f4j s TYR 231 Ca 0.17 0.08 -0.12 0.00 -0.37 0.00 0.00 57.07 56.83 1f4j s TYR 231 Cb 0.07 -1.62 0.02 0.00 -0.40 0.00 0.00 41.96 40.04 1f4j s TYR 231 CO -0.03 0.53 0.63 0.00 -1.57 0.00 0.00 175.55 175.11 1f4j s LYS 233 N -3.04 0.50 -0.09 0.00 -0.14 -0.83 -1.22 119.74 114.92 1f4j s LYS 233 Ca 0.21 -0.06 -0.09 0.00 -1.36 0.00 0.00 55.97 54.67 1f4j s LYS 233 Cb -0.03 -0.56 -0.04 0.00 -1.68 0.00 0.00 37.83 35.52 1f4j s LYS 233 CO 0.13 -0.04 0.20 -0.06 -0.76 0.00 0.00 175.35 174.82 1f4j s PHE 234 N 0.61 3.63 -0.02 3.18 0.08 -1.26 -1.09 117.98 123.10 1f4j s PHE 234 Ca -0.07 0.63 -0.03 0.00 0.12 0.00 0.00 56.93 57.58 1f4j s PHE 234 Cb -0.10 -2.01 0.01 0.00 -0.57 0.00 0.00 43.02 40.34 1f4j s PHE 234 CO -0.01 0.72 0.07 -1.01 -0.10 0.00 0.00 175.22 174.89 1f4j s HIS 235 N -1.05 -0.05 -0.27 0.36 3.76 -0.92 -1.77 115.29 115.35 1f4j s HIS 235 Ca 0.17 0.13 -0.02 0.00 -0.15 0.00 0.00 55.06 55.19 1f4j s HIS 235 Cb -0.13 0.01 0.09 0.00 1.11 0.00 0.00 32.58 33.65 1f4j s HIS 235 CO 0.07 -0.07 0.08 1.52 -0.85 0.00 0.00 174.74 175.48 1f4j s TYR 236 N -0.18 1.35 0.18 1.40 1.13 0.84 -0.07 117.35 122.00 1f4j s TYR 236 Ca -0.02 -1.36 -0.28 0.00 -1.41 0.00 0.00 57.07 53.99 1f4j s TYR 236 Cb -0.02 -1.40 -0.08 0.00 -1.10 0.00 0.00 41.96 39.36 1f4j s TYR 236 CO 0.00 -0.79 0.87 0.15 -2.51 0.00 0.00 175.55 173.27 1f4j s LYS 237 N 1.74 4.71 -0.17 -3.49 -0.14 -0.69 0.25 119.74 121.95 1f4j s LYS 237 Ca 0.06 1.33 -0.29 0.00 -1.36 0.00 0.00 55.97 55.71 1f4j s LYS 237 Cb -0.17 -3.29 -0.04 0.00 -1.68 0.00 0.00 37.83 32.65 1f4j s LYS 237 CO -0.21 0.48 1.63 -0.08 -0.76 0.00 0.00 175.35 176.42 1f4j s THR 238 N -0.93 3.66 0.25 2.17 -1.32 -1.26 -1.18 115.64 117.04 1f4j s THR 238 Ca 0.40 0.76 0.20 0.00 -1.21 0.00 0.00 61.69 61.84 1f4j s THR 238 Cb -0.24 -3.62 0.18 0.00 -1.51 0.00 0.00 72.50 67.31 1f4j s THR 238 CO 0.29 -0.21 1.84 0.44 -2.21 0.00 0.00 174.62 174.77 1f4j h ASP 239 N 10.41 0.00 0.00 8.08 3.32 -1.39 -1.30 116.42 135.53 1f4j h ASP 239 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1f4j h ASP 239 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1f4j h ASP 239 CO 0.98 0.30 0.00 0.00 -1.72 0.00 0.00 179.24 178.80 1f4j n GLN 240 N -3.63 0.70 -0.23 3.56 3.00 -1.26 -4.98 117.38 114.54 1f4j n GLN 240 Ca -0.01 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.99 1f4j n GLN 240 Cb 0.42 -1.48 -0.00 0.00 0.00 0.00 0.00 30.24 29.17 1f4j n GLN 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1f4j n GLY 241 N 0.39 -2.94 3.77 1.08 0.00 -0.49 -4.89 105.19 102.12 1f4j n GLY 241 Ca 0.16 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.56 1f4j n GLY 241 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f4j s ILE 242 N -4.02 2.99 -0.29 -0.61 -1.09 -1.26 -4.41 121.20 112.51 1f4j s ILE 242 Ca 0.00 0.64 -0.16 0.00 -2.23 0.00 0.00 60.65 58.90 1f4j s ILE 242 Cb 0.00 -3.27 0.16 0.00 -1.58 0.00 0.00 42.46 37.77 1f4j s ILE 242 CO 0.00 -0.11 1.01 -0.75 -1.23 0.00 0.00 174.94 173.85 1f4j s LYS 243 N -3.20 0.33 0.25 2.79 2.20 -0.91 -5.01 119.74 116.18 1f4j s LYS 243 Ca 0.73 0.61 0.09 0.00 -0.36 0.00 0.00 55.97 57.04 1f4j s LYS 243 Cb -0.27 0.14 -0.05 0.00 -1.51 0.00 0.00 37.83 36.14 1f4j s LYS 243 CO 0.30 -0.08 -0.14 -0.80 -0.36 0.00 0.00 175.35 174.27 1f4j s ASN 244 N 1.54 2.97 -0.09 1.43 0.01 -1.26 -1.11 114.94 118.42 1f4j s ASN 244 Ca -0.08 -1.07 -0.12 0.00 -0.71 0.00 0.00 52.86 50.89 1f4j s ASN 244 Cb -0.04 -0.20 -0.05 0.00 0.41 0.00 0.00 41.25 41.37 1f4j s ASN 244 CO -0.15 -0.15 0.27 -0.76 -1.51 0.00 0.00 177.10 174.81 1f4j s LEU 245 N -3.41 4.38 0.73 0.60 1.43 0.44 -4.64 118.68 118.20 1f4j s LEU 245 Ca 0.27 0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 53.90 1f4j s LEU 245 Cb -0.01 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.91 1f4j s LEU 245 CO 0.11 0.30 1.10 -0.94 0.23 0.00 0.00 176.35 177.14 1f4j s SER 246 N -0.64 4.75 0.27 2.29 1.04 -1.26 -4.74 113.70 115.40 1f4j s SER 246 Ca 0.18 1.89 0.00 0.00 0.48 0.00 0.00 55.95 58.51 1f4j s SER 246 Cb -0.14 -2.53 0.56 0.00 0.10 0.00 0.00 66.02 64.01 1f4j s SER 246 CO 0.07 -1.87 1.77 0.58 0.98 0.00 0.00 173.24 174.77 1f4j h VAL 247 N -0.67 0.75 0.02 5.02 2.07 -1.98 -0.35 116.25 121.11 1f4j h VAL 247 Ca -0.45 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1f4j h VAL 247 Cb 1.24 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1f4j h VAL 247 CO 0.52 0.12 -0.01 -0.33 0.02 0.00 0.00 177.57 177.90 1f4j h GLU 248 N 0.68 -0.02 -0.81 1.57 3.07 -2.00 -1.80 114.58 115.27 1f4j h GLU 248 Ca 0.48 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.30 1f4j h GLU 248 Cb 0.67 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.55 1f4j h GLU 248 CO -0.35 0.16 0.34 -0.44 -1.40 0.00 0.00 179.01 177.32 1f4j h ASP 249 N -0.20 1.11 -0.74 1.42 3.32 -1.82 0.45 116.42 119.97 1f4j h ASP 249 Ca -0.00 -0.16 0.09 0.00 0.02 0.00 0.00 57.03 56.97 1f4j h ASP 249 Cb 0.19 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 1f4j h ASP 249 CO 0.00 0.97 0.48 0.00 -1.72 0.00 0.00 179.24 178.98 1f4j h ALA 250 N 1.18 1.81 0.05 3.45 0.00 -0.88 0.33 119.26 125.20 1f4j h ALA 250 Ca 0.27 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1f4j h ALA 250 Cb 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1f4j h ALA 250 CO -0.03 0.04 -0.52 0.00 0.00 0.00 0.00 179.25 178.75 1f4j h ALA 251 N 1.62 0.02 -0.71 0.00 0.00 -0.59 -1.47 119.26 118.12 1f4j h ALA 251 Ca 0.34 -0.70 0.12 0.00 0.00 0.00 0.00 54.91 54.66 1f4j h ALA 251 Cb 0.43 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1f4j h ALA 251 CO -0.12 0.27 0.47 -0.09 0.00 0.00 0.00 179.25 179.79 1f4j h ARG 252 N -0.75 0.48 -0.03 0.00 2.43 -0.62 -1.33 114.38 114.57 1f4j h ARG 252 Ca -0.11 -0.03 -0.26 0.00 -0.81 0.00 0.00 59.98 58.77 1f4j h ARG 252 Cb 1.30 -0.11 0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1f4j h ARG 252 CO 0.03 0.32 -0.99 -0.07 -1.51 0.00 0.00 179.97 177.75 1f4j h LEU 253 N 0.50 0.91 -2.14 3.80 3.38 -0.39 -1.27 115.31 120.11 1f4j h LEU 253 Ca 0.34 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1f4j h LEU 253 Cb 0.64 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1f4j h LEU 253 CO -0.11 1.50 0.07 0.77 0.09 0.00 0.00 178.44 180.77 1f4j h SER 254 N 0.42 0.00 0.00 -0.43 4.64 -0.13 0.25 113.55 118.31 1f4j h SER 254 Ca -0.11 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.85 1f4j h SER 254 Cb 1.64 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.66 1f4j h SER 254 CO 0.20 0.00 -2.34 1.67 -0.87 0.00 0.00 176.83 175.48 1f4j n GLN 255 N -2.68 0.65 0.07 4.77 0.00 -1.04 -4.08 117.38 115.06 1f4j n GLN 255 Ca -0.02 0.12 -0.16 0.00 -0.00 0.00 0.00 57.00 56.93 1f4j n GLN 255 Cb 0.12 -1.48 -0.08 0.00 0.00 0.00 0.00 30.24 28.81 1f4j n GLN 255 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1f4j h GLU 256 N 0.00 0.49 -1.64 3.69 5.08 -0.59 -3.42 114.58 118.19 1f4j h GLU 256 Ca -0.53 -0.57 -0.30 0.00 -1.00 0.00 0.00 59.36 56.96 1f4j h GLU 256 Cb 1.87 0.17 -0.27 0.00 0.50 0.00 0.00 28.75 31.03 1f4j h GLU 256 CO -0.07 1.21 -0.64 0.34 -1.00 0.00 0.00 179.01 178.85 1f4j s ASP 257 N -7.19 0.18 0.00 1.42 3.68 0.83 -4.98 116.67 110.61 1f4j s ASP 257 Ca -0.07 -1.64 0.07 0.00 2.13 0.00 0.00 52.55 53.05 1f4j s ASP 257 Cb 0.08 0.96 0.32 0.00 -1.45 0.00 0.00 42.92 42.83 1f4j s ASP 257 CO 0.89 -0.19 1.21 -0.81 0.13 0.00 0.00 175.17 176.40 1f4j n PRO 258 N 3.87 0.02 -0.41 4.34 -0.04 -1.24 -1.75 135.00 139.79 1f4j n PRO 258 Ca 0.15 0.35 0.09 0.00 -0.04 0.00 0.00 63.50 64.04 1f4j n PRO 258 Cb 0.50 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.71 1f4j n PRO 258 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1f4j n ASP 259 N -1.47 3.75 -0.38 3.54 8.00 -1.26 -0.51 116.55 128.23 1f4j n ASP 259 Ca 0.02 -2.99 0.00 0.00 0.71 0.00 0.00 54.79 52.54 1f4j n ASP 259 Cb 0.08 -0.53 0.06 0.00 -0.02 0.00 0.00 41.12 40.72 1f4j n ASP 259 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1f4j h TYR 260 N 1.69 -0.97 -0.89 1.24 5.03 -1.70 0.22 116.97 121.59 1f4j h TYR 260 Ca 0.00 0.10 0.09 0.00 2.58 0.00 0.00 58.73 61.50 1f4j h TYR 260 Cb 1.39 0.57 -0.07 0.00 1.55 0.00 0.00 36.73 40.17 1f4j h TYR 260 CO 0.45 -0.41 0.54 0.78 -1.32 0.00 0.00 178.16 178.20 1f4j h GLY 261 N -0.00 1.39 0.85 1.82 0.00 -1.86 -0.19 103.07 105.07 1f4j h GLY 261 Ca 0.37 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1f4j h GLY 261 CO -1.00 0.19 -0.04 -2.22 0.00 0.00 0.00 176.54 173.48 1f4j h ILE 262 N 0.92 1.27 -0.55 2.60 2.04 -1.33 -2.70 117.51 119.77 1f4j h ILE 262 Ca 0.42 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1f4j h ILE 262 Cb 0.32 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1f4j h ILE 262 CO -0.23 0.31 0.27 -0.09 0.00 0.00 0.00 178.15 178.42 1f4j h ARG 263 N 0.22 0.78 0.68 2.37 2.43 -0.94 -1.14 114.38 118.77 1f4j h ARG 263 Ca 0.07 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1f4j h ARG 263 Cb 0.48 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1f4j h ARG 263 CO 0.02 0.64 -0.33 0.22 -1.51 0.00 0.00 179.97 179.01 1f4j h ASP 264 N 0.73 -0.77 -0.79 -3.80 1.82 -1.04 -0.19 116.42 112.39 1f4j h ASP 264 Ca 0.19 0.03 0.07 0.00 -0.39 0.00 0.00 57.03 56.93 1f4j h ASP 264 Cb 0.11 0.20 -0.06 0.00 0.68 0.00 0.00 39.33 40.26 1f4j h ASP 264 CO -0.02 -0.55 0.46 0.25 -1.61 0.00 0.00 179.24 177.76 1f4j h LEU 265 N -0.92 0.68 -0.01 2.28 5.85 -1.44 -0.13 115.31 121.63 1f4j h LEU 265 Ca -0.09 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1f4j h LEU 265 Cb 0.70 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1f4j h LEU 265 CO 0.15 0.42 0.00 0.15 -0.34 0.00 0.00 178.44 178.82 1f4j h PHE 266 N 0.81 0.01 -0.41 1.25 3.04 -1.01 -2.42 116.94 118.22 1f4j h PHE 266 Ca 0.36 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.28 1f4j h PHE 266 Cb 0.25 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 1f4j h PHE 266 CO -0.06 0.28 0.15 -0.91 -2.02 0.00 0.00 178.31 175.75 1f4j h ASN 267 N -0.26 0.59 -0.38 0.41 2.35 -0.85 0.96 115.58 118.39 1f4j h ASN 267 Ca 0.00 -0.19 0.06 0.00 -0.55 0.00 0.00 56.30 55.62 1f4j h ASN 267 Cb 0.27 -0.15 -0.08 0.00 0.05 0.00 0.00 38.32 38.41 1f4j h ASN 267 CO 0.00 0.62 -0.50 0.00 -1.65 0.00 0.00 177.43 175.90 1f4j h ALA 268 N 0.99 -0.63 -0.68 -0.83 0.00 -0.98 0.35 119.26 117.48 1f4j h ALA 268 Ca 0.14 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1f4j h ALA 268 Cb 0.23 1.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1f4j h ALA 268 CO -0.01 -0.97 0.27 0.82 0.00 0.00 0.00 179.25 179.36 1f4j h ILE 269 N -0.38 1.24 0.00 0.00 2.04 -1.27 0.23 117.51 119.37 1f4j h ILE 269 Ca 0.10 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1f4j h ILE 269 Cb 0.60 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1f4j h ILE 269 CO -0.57 0.31 0.00 0.00 0.00 0.00 0.00 178.15 177.88 1f4j h ALA 270 N 1.12 1.00 -0.40 1.87 0.00 0.34 -2.58 119.26 120.62 1f4j h ALA 270 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1f4j h ALA 270 Cb 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1f4j h ALA 270 CO -0.02 0.00 0.05 0.25 0.00 0.00 0.00 179.25 179.53 1f4j n THR 271 N -3.06 2.51 -0.67 0.00 -2.24 0.11 -4.95 114.28 105.98 1f4j n THR 271 Ca -0.01 -2.02 0.00 0.00 -2.27 0.00 0.00 64.05 59.76 1f4j n THR 271 Cb 0.22 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1f4j n THR 271 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f4j n GLY 272 N -0.55 1.58 2.03 3.38 0.00 -0.97 -4.91 105.19 105.75 1f4j n GLY 272 Ca 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 1f4j n GLY 272 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f4j n LYS 273 N -2.00 1.95 -1.67 1.61 4.01 0.75 -4.93 118.16 117.88 1f4j n LYS 273 Ca 0.00 -1.19 -0.56 0.00 -0.51 0.00 0.00 58.31 56.06 1f4j n LYS 273 Cb 0.00 -1.88 -0.07 0.00 -0.51 0.00 0.00 35.03 32.57 1f4j n LYS 273 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1f4j n TYR 274 N 1.92 2.01 -2.86 2.13 4.01 -1.26 -4.41 117.16 118.71 1f4j n TYR 274 Ca 0.38 0.45 -0.33 0.00 -0.16 0.00 0.00 57.90 58.24 1f4j n TYR 274 Cb 0.77 -2.49 -0.07 0.00 -0.31 0.00 0.00 39.34 37.24 1f4j n TYR 274 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1f4j s PRO 275 N 4.03 4.22 0.06 -0.72 0.04 -1.23 -4.86 135.00 136.54 1f4j s PRO 275 Ca 1.00 1.08 -0.00 0.00 0.04 0.00 0.00 61.00 63.11 1f4j s PRO 275 Cb -1.01 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1f4j s PRO 275 CO 0.62 0.01 -0.04 -1.54 0.04 0.00 0.00 177.00 176.10 1f4j s SER 276 N -2.16 0.60 0.06 6.66 1.04 -1.26 -1.70 113.70 116.94 1f4j s SER 276 Ca 0.60 -0.93 0.03 0.00 0.48 0.00 0.00 55.95 56.14 1f4j s SER 276 Cb -0.10 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 1f4j s SER 276 CO 0.14 -0.52 -0.10 0.26 0.98 0.00 0.00 173.24 174.00 1f4j s TRP 277 N -3.48 0.86 -0.23 5.02 0.51 -0.07 -1.02 118.94 120.52 1f4j s TRP 277 Ca 0.05 -0.51 -0.09 0.00 -2.12 0.00 0.00 56.10 53.43 1f4j s TRP 277 Cb 0.05 -0.50 -0.04 0.00 -0.81 0.00 0.00 33.47 32.17 1f4j s TRP 277 CO -0.08 -0.04 0.12 0.99 -0.51 0.00 0.00 176.95 177.43 1f4j s THR 278 N -1.47 5.00 -0.34 2.01 2.01 -0.32 0.18 115.64 122.71 1f4j s THR 278 Ca -0.06 0.05 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 1f4j s THR 278 Cb -0.09 -3.32 -0.00 0.00 0.01 0.00 0.00 72.50 69.10 1f4j s THR 278 CO 0.01 0.37 0.65 0.12 -0.69 0.00 0.00 174.62 175.08 1f4j s PHE 279 N 1.01 3.17 0.51 4.92 2.19 -0.09 -1.70 117.98 128.00 1f4j s PHE 279 Ca 0.06 0.46 0.03 0.00 0.33 0.00 0.00 56.93 57.81 1f4j s PHE 279 Cb -0.14 -3.11 -0.00 0.00 -1.31 0.00 0.00 43.02 38.46 1f4j s PHE 279 CO 0.04 -0.58 0.14 0.71 1.83 0.00 0.00 175.22 177.36 1f4j s TYR 280 N 2.71 1.86 0.04 10.12 1.51 0.90 0.66 117.35 135.15 1f4j s TYR 280 Ca 0.25 -0.89 -0.15 0.00 -1.01 0.00 0.00 57.07 55.27 1f4j s TYR 280 Cb -0.14 -1.74 0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1f4j s TYR 280 CO 0.14 0.01 0.35 0.96 -1.11 0.00 0.00 175.55 175.90 1f4j s ILE 281 N -2.82 0.07 -0.03 2.71 -4.36 -0.21 -2.16 121.20 114.40 1f4j s ILE 281 Ca 0.18 -0.59 0.07 0.00 -0.26 0.00 0.00 60.65 60.05 1f4j s ILE 281 Cb 0.01 -0.94 -0.02 0.00 1.25 0.00 0.00 42.46 42.76 1f4j s ILE 281 CO 0.10 -0.32 -0.24 -1.10 0.24 0.00 0.00 174.94 173.62 1f4j s GLN 282 N -2.52 2.26 -0.06 0.37 -0.21 -0.25 0.42 119.66 119.68 1f4j s GLN 282 Ca -0.05 -0.88 0.06 0.00 0.02 0.00 0.00 55.36 54.50 1f4j s GLN 282 Cb -0.01 -2.12 -0.01 0.00 1.00 0.00 0.00 33.01 31.86 1f4j s GLN 282 CO -0.03 0.54 -0.24 0.08 -2.12 0.00 0.00 175.29 173.52 1f4j s VAL 283 N -0.55 2.17 -0.10 1.09 1.01 -1.26 -1.96 120.40 120.79 1f4j s VAL 283 Ca 0.08 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1f4j s VAL 283 Cb -0.11 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1f4j s VAL 283 CO 0.00 0.57 -0.09 -0.32 0.00 0.00 0.00 175.10 175.27 1f4j s MET 284 N -0.19 1.51 0.85 2.72 0.00 -0.26 -4.93 119.30 119.00 1f4j s MET 284 Ca -0.02 -0.28 -0.12 0.00 0.00 0.00 0.00 55.69 55.27 1f4j s MET 284 Cb -0.13 -1.48 0.10 0.00 0.00 0.00 0.00 34.83 33.31 1f4j s MET 284 CO 0.03 -0.18 1.14 0.95 0.00 0.00 0.00 175.02 176.96 1f4j s THR 285 N 1.38 2.31 0.31 10.11 -4.23 -1.26 -1.14 115.64 123.12 1f4j s THR 285 Ca -0.01 0.10 0.02 0.00 -1.18 0.00 0.00 61.69 60.62 1f4j s THR 285 Cb -0.14 -2.94 0.14 0.00 1.34 0.00 0.00 72.50 70.91 1f4j s THR 285 CO -0.04 -0.13 1.83 -0.26 -0.54 0.00 0.00 174.62 175.47 1f4j h PHE 286 N -1.24 0.64 0.07 3.99 -1.00 -1.97 -0.57 116.94 116.85 1f4j h PHE 286 Ca -0.48 -0.08 -0.00 0.00 2.81 0.00 0.00 57.97 60.22 1f4j h PHE 286 Cb 1.31 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.69 1f4j h PHE 286 CO 0.34 0.62 -0.03 -0.91 -1.61 0.00 0.00 178.31 176.73 1f4j h ASN 287 N 0.58 -0.07 -0.86 2.17 -0.26 -1.98 -2.57 115.58 112.59 1f4j h ASN 287 Ca 0.12 -0.18 0.08 0.00 -0.56 0.00 0.00 56.30 55.76 1f4j h ASN 287 Cb 0.38 0.02 -0.06 0.00 -1.06 0.00 0.00 38.32 37.60 1f4j h ASN 287 CO 0.01 0.14 0.56 1.56 -1.06 0.00 0.00 177.43 178.64 1f4j h GLN 288 N -0.29 0.86 -0.93 0.81 4.20 -1.86 -2.05 115.11 115.86 1f4j h GLN 288 Ca -0.01 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.70 1f4j h GLN 288 Cb 0.25 -0.19 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 1f4j h GLN 288 CO 0.01 0.57 0.61 0.00 -0.67 0.00 0.00 178.83 179.35 1f4j h ALA 289 N 1.56 1.44 0.00 3.87 0.00 -0.72 -0.99 119.26 124.42 1f4j h ALA 289 Ca 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1f4j h ALA 289 Cb 0.34 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1f4j h ALA 289 CO -0.15 0.44 0.00 0.39 0.00 0.00 0.00 179.25 179.93 1f4j n GLU 290 N -4.47 0.00 -0.07 0.00 1.02 -0.77 -2.95 120.64 113.41 1f4j n GLU 290 Ca 0.13 0.20 0.03 0.00 -0.02 0.00 0.00 57.16 57.49 1f4j n GLU 290 Cb 0.15 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.13 1f4j n GLU 290 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1f4j n THR 291 N -1.50 0.76 -2.04 2.62 -2.24 -0.42 -5.00 114.28 106.46 1f4j n THR 291 Ca 0.04 -0.88 -0.41 0.00 -2.27 0.00 0.00 64.05 60.53 1f4j n THR 291 Cb 0.21 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 69.06 1f4j n THR 291 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1f4j s PHE 292 N -0.87 3.07 -0.52 4.78 5.36 -0.93 -4.85 117.98 124.02 1f4j s PHE 292 Ca 0.10 1.03 0.12 0.00 -0.96 0.00 0.00 56.93 57.23 1f4j s PHE 292 Cb 0.06 -3.79 0.67 0.00 -0.34 0.00 0.00 43.02 39.62 1f4j s PHE 292 CO 0.07 -2.58 1.37 -2.30 -1.46 0.00 0.00 175.22 170.33 1f4j n PRO 293 N 2.52 0.08 -4.27 10.12 -0.02 -1.26 -4.68 135.00 137.49 1f4j n PRO 293 Ca 0.07 0.57 -0.24 0.00 -2.02 0.00 0.00 63.50 61.89 1f4j n PRO 293 Cb 0.41 -1.78 -0.07 0.00 -0.02 0.00 0.00 33.50 32.04 1f4j n PRO 293 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1f4j n PHE 294 N -1.93 0.05 -2.50 6.00 3.72 -1.26 -5.08 117.46 116.45 1f4j n PHE 294 Ca -0.01 -2.51 -0.43 0.00 -0.05 0.00 0.00 57.45 54.46 1f4j n PHE 294 Cb 0.03 0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.57 1f4j n PHE 294 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1f4j s ASN 295 N -3.37 6.47 0.65 4.37 2.47 -1.26 -4.86 114.94 119.42 1f4j s ASN 295 Ca 0.21 0.52 0.32 0.00 0.42 0.00 0.00 52.86 54.33 1f4j s ASN 295 Cb 0.01 -2.55 1.76 0.00 -1.45 0.00 0.00 41.25 39.02 1f4j s ASN 295 CO 0.15 -1.38 2.01 1.55 -3.72 0.00 0.00 177.10 175.71 1f4j h PRO 296 N 9.89 0.00 -0.80 0.43 0.13 -1.89 0.62 132.00 140.38 1f4j h PRO 296 Ca -0.25 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.66 1f4j h PRO 296 Cb 1.08 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.08 1f4j h PRO 296 CO 1.13 0.00 0.28 1.19 -0.23 0.00 0.00 178.00 180.36 1f4j n PHE 297 N -3.06 2.29 -3.26 1.56 3.72 -1.26 -4.79 117.46 112.66 1f4j n PHE 297 Ca -0.01 -1.15 -0.41 0.00 -0.05 0.00 0.00 57.45 55.84 1f4j n PHE 297 Cb 0.35 -0.66 -0.08 0.00 -0.94 0.00 0.00 39.48 38.14 1f4j n PHE 297 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1f4j s ASP 298 N -0.86 6.34 0.00 4.37 -1.08 0.21 -4.37 116.67 121.28 1f4j s ASP 298 Ca 0.50 0.16 0.09 0.00 -0.52 0.00 0.00 52.55 52.77 1f4j s ASP 298 Cb 0.40 -2.26 0.38 0.00 -1.46 0.00 0.00 42.92 39.98 1f4j s ASP 298 CO 0.12 -0.39 1.25 -0.11 0.52 0.00 0.00 175.17 176.56 1f4j n LEU 299 N 5.64 0.00 -0.81 -1.34 7.94 -1.26 -1.66 117.00 125.51 1f4j n LEU 299 Ca -0.05 0.45 0.12 0.00 -1.11 0.00 0.00 56.01 55.43 1f4j n LEU 299 Cb 0.49 -0.45 0.27 0.00 0.53 0.00 0.00 43.42 44.26 1f4j n LEU 299 CO 0.43 -0.32 0.73 0.35 -1.11 0.00 0.00 177.39 177.46 1f4j n THR 300 N -1.45 0.11 -4.29 1.96 -2.24 -1.26 -1.86 114.28 105.23 1f4j n THR 300 Ca 0.03 -0.45 -0.23 0.00 -2.27 0.00 0.00 64.05 61.12 1f4j n THR 300 Cb 0.09 1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.25 1f4j n THR 300 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1f4j s LYS 301 N -1.89 2.20 0.22 -0.78 3.01 -0.66 -4.87 119.74 116.97 1f4j s LYS 301 Ca 0.33 -1.53 0.07 0.00 -1.01 0.00 0.00 55.97 53.83 1f4j s LYS 301 Cb 0.20 -2.08 -0.05 0.00 -1.01 0.00 0.00 37.83 34.89 1f4j s LYS 301 CO 0.31 0.29 -0.11 0.14 0.51 0.00 0.00 175.35 176.48 1f4j s VAL 302 N -2.39 1.67 -0.40 3.17 -7.23 -1.26 -4.82 120.40 109.15 1f4j s VAL 302 Ca 0.33 -2.18 -0.14 0.00 -1.81 0.00 0.00 61.98 58.18 1f4j s VAL 302 Cb -0.05 -2.16 0.02 0.00 0.56 0.00 0.00 36.38 34.75 1f4j s VAL 302 CO 0.20 -0.51 0.28 0.26 -0.31 0.00 0.00 175.10 175.02 1f4j s TRP 303 N -3.01 3.24 0.01 2.82 0.51 -1.26 -5.03 118.94 116.22 1f4j s TRP 303 Ca 0.25 -0.59 -0.35 0.00 -2.12 0.00 0.00 56.10 53.28 1f4j s TRP 303 Cb 0.01 -2.55 -0.14 0.00 -0.81 0.00 0.00 33.47 29.98 1f4j s TRP 303 CO 0.08 -0.57 1.67 -0.35 -0.51 0.00 0.00 176.95 177.28 1f4j n PRO 304 N 5.13 1.92 0.05 4.98 -0.04 -1.26 -4.79 135.00 140.98 1f4j n PRO 304 Ca -0.11 0.70 0.21 0.00 -0.04 0.00 0.00 63.50 64.26 1f4j n PRO 304 Cb 0.47 -2.47 0.74 0.00 -0.04 0.00 0.00 33.50 32.20 1f4j n PRO 304 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1f4j h HIS 305 N 7.08 0.00 -0.08 0.54 3.86 -1.97 0.49 115.15 125.07 1f4j h HIS 305 Ca -0.47 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.74 1f4j h HIS 305 Cb 1.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.74 1f4j h HIS 305 CO 0.73 0.00 0.03 0.87 0.86 0.00 0.00 177.93 180.42 1f4j h LYS 306 N 0.00 0.12 0.00 2.45 6.56 -1.99 -2.02 116.57 121.70 1f4j h LYS 306 Ca 0.23 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.80 1f4j h LYS 306 Cb 1.12 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.76 1f4j h LYS 306 CO -0.00 0.26 -0.43 -0.44 -2.06 0.00 0.00 179.45 176.78 1f4j h ASP 307 N -0.05 0.00 -2.51 0.86 3.32 -1.58 -3.40 116.42 113.06 1f4j h ASP 307 Ca 0.03 -0.01 -0.58 0.00 0.02 0.00 0.00 57.03 56.49 1f4j h ASP 307 Cb 0.19 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.35 1f4j h ASP 307 CO -0.00 0.00 -0.89 -0.31 -1.72 0.00 0.00 179.24 176.33 1f4j s TYR 308 N -3.27 0.80 0.43 4.55 2.02 0.03 -5.04 117.35 116.88 1f4j s TYR 308 Ca 0.04 -1.81 -0.26 0.00 -0.37 0.00 0.00 57.07 54.67 1f4j s TYR 308 Cb 0.07 -0.90 -0.08 0.00 -0.40 0.00 0.00 41.96 40.65 1f4j s TYR 308 CO 0.72 -0.83 1.38 -1.25 -1.57 0.00 0.00 175.55 174.00 1f4j s PRO 309 N 0.79 3.79 0.06 -1.71 0.04 -0.77 -4.16 135.00 133.05 1f4j s PRO 309 Ca 0.22 2.32 -0.31 0.00 0.04 0.00 0.00 61.00 63.28 1f4j s PRO 309 Cb -0.15 -2.69 -0.07 0.00 0.04 0.00 0.00 34.50 31.63 1f4j s PRO 309 CO -0.05 -0.70 1.37 -0.51 0.04 0.00 0.00 177.00 177.16 1f4j s LEU 310 N -2.61 4.35 -0.31 -3.56 1.43 -1.26 -4.61 118.68 112.11 1f4j s LEU 310 Ca 0.59 2.21 -0.12 0.00 -1.03 0.00 0.00 54.13 55.78 1f4j s LEU 310 Cb -0.42 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.19 1f4j s LEU 310 CO 0.54 -0.66 0.23 -0.63 0.23 0.00 0.00 176.35 176.06 1f4j s ILE 311 N 1.60 5.28 0.35 -0.59 -1.09 0.17 -4.90 121.20 122.03 1f4j s ILE 311 Ca 0.64 0.03 -0.28 0.00 -2.23 0.00 0.00 60.65 58.80 1f4j s ILE 311 Cb -0.34 -3.63 -0.10 0.00 -1.58 0.00 0.00 42.46 36.81 1f4j s ILE 311 CO 0.29 0.12 1.32 -2.16 -1.23 0.00 0.00 174.94 173.28 1f4j s PRO 312 N 1.78 4.25 0.08 2.79 0.04 -1.26 -1.04 135.00 141.63 1f4j s PRO 312 Ca 0.07 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1f4j s PRO 312 Cb -0.17 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1f4j s PRO 312 CO 0.11 -0.29 0.00 0.28 0.04 0.00 0.00 177.00 177.14 1f4j n VAL 313 N 0.62 0.43 -0.84 -0.36 0.31 0.21 -4.64 118.33 114.06 1f4j n VAL 313 Ca 0.01 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1f4j n VAL 313 Cb 0.42 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 1f4j n VAL 313 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1f4j n GLY 314 N 2.70 3.91 3.31 2.92 0.00 -0.43 -0.92 105.19 116.69 1f4j n GLY 314 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 1f4j n GLY 314 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f4j s LYS 315 N 2.92 0.68 -0.11 1.61 2.20 -0.19 -0.91 119.74 125.94 1f4j s LYS 315 Ca 0.00 0.14 0.02 0.00 -0.36 0.00 0.00 55.97 55.77 1f4j s LYS 315 Cb 0.00 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.63 1f4j s LYS 315 CO 0.00 -0.17 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.13 1f4j s LEU 316 N -0.81 2.41 -0.07 5.43 1.43 0.13 -1.16 118.68 126.04 1f4j s LEU 316 Ca -0.09 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 1f4j s LEU 316 Cb -0.04 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.69 1f4j s LEU 316 CO 0.04 0.17 -0.10 -0.69 0.23 0.00 0.00 176.35 175.99 1f4j s VAL 317 N 0.32 1.02 -0.38 -1.59 1.01 -0.11 -0.90 120.40 119.78 1f4j s VAL 317 Ca -0.14 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1f4j s VAL 317 Cb -0.17 -0.96 0.07 0.00 0.00 0.00 0.00 36.38 35.32 1f4j s VAL 317 CO 0.07 0.34 0.17 -0.76 0.00 0.00 0.00 175.10 174.92 1f4j s LEU 318 N 0.88 4.74 0.00 3.92 1.43 -0.69 -1.20 118.68 127.76 1f4j s LEU 318 Ca -0.11 -1.44 0.01 0.00 -1.03 0.00 0.00 54.13 51.56 1f4j s LEU 318 Cb -0.15 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.19 1f4j s LEU 318 CO 0.01 -0.43 0.80 -0.46 0.23 0.00 0.00 176.35 176.50 1f4j n ASN 319 N 4.79 1.62 -3.82 2.29 2.04 -0.67 -3.53 115.26 117.98 1f4j n ASN 319 Ca -0.10 -1.58 -0.14 0.00 -0.44 0.00 0.00 54.58 52.32 1f4j n ASN 319 Cb 0.43 -0.01 -0.15 0.00 -2.53 0.00 0.00 39.78 37.52 1f4j n ASN 319 CO 0.00 0.00 0.00 -0.60 -0.44 0.00 0.00 177.26 176.22 1f4j s ARG 320 N -0.59 0.04 0.49 -3.83 3.52 -0.31 -4.98 118.95 113.29 1f4j s ARG 320 Ca 0.01 0.08 -0.04 0.00 -0.13 0.00 0.00 55.73 55.65 1f4j s ARG 320 Cb 0.01 -0.19 -0.02 0.00 -1.56 0.00 0.00 34.95 33.18 1f4j s ARG 320 CO 0.01 -0.09 0.77 -0.80 -0.81 0.00 0.00 175.30 174.39 1f4j s ASN 321 N 0.59 6.06 0.65 -2.12 0.02 -1.26 -0.41 114.94 118.47 1f4j s ASN 321 Ca -0.05 0.75 -0.14 0.00 -1.02 0.00 0.00 52.86 52.40 1f4j s ASN 321 Cb -0.08 -2.01 -0.01 0.00 0.02 0.00 0.00 41.25 39.18 1f4j s ASN 321 CO -0.02 -0.67 1.07 -2.16 0.02 0.00 0.00 177.10 175.34 1f4j s PRO 322 N -4.73 3.01 -0.12 -0.60 0.04 -1.26 -4.85 135.00 126.49 1f4j s PRO 322 Ca 0.48 1.15 0.02 0.00 0.04 0.00 0.00 61.00 62.69 1f4j s PRO 322 Cb -0.10 -1.99 -0.24 0.00 0.04 0.00 0.00 34.50 32.20 1f4j s PRO 322 CO 0.43 -1.06 0.37 0.28 0.04 0.00 0.00 177.00 177.06 1f4j n VAL 323 N -2.59 1.67 -3.78 -0.36 0.31 -1.26 -4.83 118.33 107.49 1f4j n VAL 323 Ca 0.09 -0.70 -0.21 0.00 -0.01 0.00 0.00 64.34 63.50 1f4j n VAL 323 Cb 0.53 -1.40 -0.17 0.00 -0.91 0.00 0.00 33.84 31.89 1f4j n VAL 323 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1f4j s ASN 324 N -6.58 1.22 0.09 4.52 3.84 -1.26 -5.06 114.94 111.71 1f4j s ASN 324 Ca -0.18 -0.03 -0.19 0.00 0.21 0.00 0.00 52.86 52.68 1f4j s ASN 324 Cb 0.07 -0.31 -0.08 0.00 -0.55 0.00 0.00 41.25 40.38 1f4j s ASN 324 CO 0.77 -0.19 1.55 0.22 -2.79 0.00 0.00 177.10 176.66 1f4j h TYR 325 N 8.13 0.42 -0.37 0.43 3.20 -1.97 -2.37 116.97 124.44 1f4j h TYR 325 Ca -0.22 -0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.63 1f4j h TYR 325 Cb 1.13 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.24 1f4j h TYR 325 CO 0.48 0.52 0.14 0.35 -1.64 0.00 0.00 178.16 178.02 1f4j h PHE 326 N 0.19 0.25 -0.34 -3.82 3.57 -1.97 0.74 116.94 115.56 1f4j h PHE 326 Ca 0.07 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1f4j h PHE 326 Cb 0.33 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1f4j h PHE 326 CO 0.02 0.11 -0.06 0.00 -2.23 0.00 0.00 178.31 176.15 1f4j h ALA 327 N 1.23 0.47 0.00 2.41 0.00 -1.97 -1.69 119.26 119.70 1f4j h ALA 327 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1f4j h ALA 327 Cb 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1f4j h ALA 327 CO -0.16 0.29 -1.65 0.39 0.00 0.00 0.00 179.25 178.12 1f4j n GLU 328 N -4.45 0.63 0.01 0.00 1.02 -0.89 -4.44 120.64 112.52 1f4j n GLU 328 Ca -0.02 -0.09 -0.03 0.00 -0.02 0.00 0.00 57.16 57.00 1f4j n GLU 328 Cb 0.32 -1.62 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 1f4j n GLU 328 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1f4j n VAL 329 N -2.39 1.12 -0.08 2.62 0.31 0.25 -4.31 118.33 115.84 1f4j n VAL 329 Ca -0.03 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1f4j n VAL 329 Cb 0.56 -1.73 0.28 0.00 -0.91 0.00 0.00 33.84 32.04 1f4j n VAL 329 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1f4j h GLU 330 N -0.22 0.72 -0.01 5.55 4.57 -1.43 -2.07 114.58 121.69 1f4j h GLU 330 Ca -0.03 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1f4j h GLU 330 Cb 0.39 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1f4j h GLU 330 CO -0.02 0.59 -0.07 1.04 -1.18 0.00 0.00 179.01 179.37 1f4j n GLN 331 N -4.35 1.04 -2.40 1.92 6.02 -0.64 -4.90 117.38 114.07 1f4j n GLN 331 Ca 0.04 -0.41 -0.39 0.00 -0.01 0.00 0.00 57.00 56.22 1f4j n GLN 331 Cb 0.16 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 1f4j n GLN 331 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1f4j s ILE 332 N -2.25 3.34 -0.07 5.09 2.07 -0.78 -4.90 121.20 123.70 1f4j s ILE 332 Ca 0.35 1.24 0.01 0.00 -1.41 0.00 0.00 60.65 60.84 1f4j s ILE 332 Cb 0.21 -3.75 0.02 0.00 0.13 0.00 0.00 42.46 39.07 1f4j s ILE 332 CO 0.42 0.21 -0.08 0.00 -1.91 0.00 0.00 174.94 173.59 1f4j s ALA 333 N -1.30 1.04 -0.13 1.50 0.00 -1.26 -5.02 121.76 116.58 1f4j s ALA 333 Ca 0.50 -0.30 -0.00 0.00 0.00 0.00 0.00 51.96 52.16 1f4j s ALA 333 Cb -0.31 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1f4j s ALA 333 CO 0.40 -0.10 -0.12 -0.06 0.00 0.00 0.00 175.76 175.88 1f4j s PHE 334 N 1.10 2.84 -0.24 0.00 0.40 -1.26 -4.93 117.98 115.89 1f4j s PHE 334 Ca -0.07 -0.58 0.02 0.00 -0.60 0.00 0.00 56.93 55.69 1f4j s PHE 334 Cb -0.14 -1.85 0.04 0.00 0.51 0.00 0.00 43.02 41.58 1f4j s PHE 334 CO -0.01 -0.17 -0.12 -0.51 0.70 0.00 0.00 175.22 175.10 1f4j s ASP 335 N 0.31 4.09 0.51 1.36 1.01 -1.26 -4.86 116.67 117.84 1f4j s ASP 335 Ca -0.09 -1.12 0.28 0.00 0.71 0.00 0.00 52.55 52.33 1f4j s ASP 335 Cb -0.16 -1.55 1.40 0.00 1.01 0.00 0.00 42.92 43.62 1f4j s ASP 335 CO 0.05 -0.13 1.88 -0.65 0.21 0.00 0.00 175.17 176.53 1f4j h PRO 336 N 7.86 0.08 0.00 8.23 0.11 -1.84 0.33 132.00 146.78 1f4j h PRO 336 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1f4j h PRO 336 Cb 1.08 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1f4j h PRO 336 CO 0.53 0.06 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 1f4j n SER 337 N -4.33 0.00 -4.50 -2.05 3.41 -1.26 -4.36 113.62 100.53 1f4j n SER 337 Ca 0.18 0.21 -0.42 0.00 -0.26 0.00 0.00 58.87 58.58 1f4j n SER 337 Cb 0.90 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 1f4j n SER 337 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1f4j s ASN 338 N -2.67 6.49 -0.05 4.04 0.01 0.12 -4.95 114.94 117.93 1f4j s ASN 338 Ca 0.10 -1.59 0.01 0.00 -0.71 0.00 0.00 52.86 50.67 1f4j s ASN 338 Cb 0.08 -2.48 0.02 0.00 0.41 0.00 0.00 41.25 39.28 1f4j s ASN 338 CO 0.18 -1.33 -0.06 -0.04 -1.51 0.00 0.00 177.10 174.34 1f4j s MET 339 N 3.94 1.00 0.51 -0.60 -1.94 -1.26 -1.74 119.30 119.21 1f4j s MET 339 Ca 0.37 -0.17 -0.03 0.00 -1.71 0.00 0.00 55.69 54.15 1f4j s MET 339 Cb -0.05 -0.94 -0.00 0.00 2.01 0.00 0.00 34.83 35.85 1f4j s MET 339 CO -0.06 -0.05 0.78 -1.25 -0.01 0.00 0.00 175.02 174.43 1f4j s PRO 340 N 0.83 3.07 0.18 2.03 0.04 -1.26 -4.94 135.00 134.95 1f4j s PRO 340 Ca -0.12 -0.20 -0.32 0.00 0.04 0.00 0.00 61.00 60.40 1f4j s PRO 340 Cb -0.15 -2.42 -0.16 0.00 0.04 0.00 0.00 34.50 31.81 1f4j s PRO 340 CO 0.01 -0.43 1.03 -2.30 0.04 0.00 0.00 177.00 175.34 1f4j n PRO 341 N -2.30 0.89 0.00 0.56 -0.02 -1.26 -1.64 135.00 131.22 1f4j n PRO 341 Ca 0.02 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1f4j n PRO 341 Cb 0.57 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1f4j n PRO 341 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f4j n GLY 342 N 1.84 1.79 3.21 -1.23 0.00 -1.26 -3.33 105.19 106.21 1f4j n GLY 342 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1f4j n GLY 342 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f4j s ILE 343 N -2.06 2.01 0.22 -0.61 1.01 -0.65 -0.58 121.20 120.54 1f4j s ILE 343 Ca 0.00 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 59.60 1f4j s ILE 343 Cb 0.00 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 1f4j s ILE 343 CO 0.00 0.55 0.28 -1.61 0.00 0.00 0.00 174.94 174.16 1f4j s GLU 344 N 0.36 1.36 0.49 2.79 2.02 0.44 -4.36 118.70 121.80 1f4j s GLU 344 Ca -0.19 -1.47 -0.09 0.00 0.02 0.00 0.00 54.97 53.24 1f4j s GLU 344 Cb -0.18 0.36 -0.05 0.00 0.10 0.00 0.00 34.13 34.36 1f4j s GLU 344 CO 0.09 -0.51 0.85 0.00 0.02 0.00 0.00 175.26 175.71 1f4j s ALA 345 N -4.08 3.30 0.43 5.21 0.00 -1.26 0.04 121.76 125.40 1f4j s ALA 345 Ca 0.32 -0.29 0.08 0.00 0.00 0.00 0.00 51.96 52.06 1f4j s ALA 345 Cb 0.04 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 1f4j s ALA 345 CO 0.11 -0.33 0.45 -1.54 0.00 0.00 0.00 175.76 174.45 1f4j s SER 346 N -3.81 5.22 0.00 0.00 1.04 -1.23 -4.41 113.70 110.52 1f4j s SER 346 Ca 0.51 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1f4j s SER 346 Cb -0.10 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1f4j s SER 346 CO 0.42 -0.72 0.55 -0.81 0.98 0.00 0.00 173.24 173.67 1f4j n PRO 347 N -1.66 0.69 -1.56 4.02 -0.04 -1.26 -4.63 135.00 130.55 1f4j n PRO 347 Ca 0.05 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 63.02 1f4j n PRO 347 Cb 0.61 -1.14 -0.06 0.00 -0.04 0.00 0.00 33.50 32.88 1f4j n PRO 347 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1f4j n ASP 348 N -0.24 2.76 -0.25 3.54 -0.08 -1.26 -4.83 116.55 116.19 1f4j n ASP 348 Ca 0.00 0.58 0.04 0.00 -1.51 0.00 0.00 54.79 53.91 1f4j n ASP 348 Cb 0.07 -1.34 0.14 0.00 2.34 0.00 0.00 41.12 42.33 1f4j n ASP 348 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1f4j h LYS 349 N 11.62 0.08 -0.02 -0.67 1.57 -1.82 0.60 116.57 127.92 1f4j h LYS 349 Ca -0.38 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.41 1f4j h LYS 349 Cb 1.29 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1f4j h LYS 349 CO 0.98 0.05 -0.04 0.52 -0.57 0.00 0.00 179.45 180.40 1f4j h MET 350 N 0.08 -0.05 -0.64 3.15 2.86 -1.88 -1.92 114.93 116.52 1f4j h MET 350 Ca 0.40 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.01 1f4j h MET 350 Cb 0.68 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 1f4j h MET 350 CO -0.68 -0.03 0.27 1.25 1.06 0.00 0.00 176.91 178.77 1f4j h LEU 351 N -0.05 0.88 -1.25 1.22 5.85 -1.69 -2.20 115.31 118.07 1f4j h LEU 351 Ca 0.02 -0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.69 1f4j h LEU 351 Cb 0.09 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 1f4j h LEU 351 CO -0.06 0.80 0.56 1.56 -0.34 0.00 0.00 178.44 180.97 1f4j h GLN 352 N 0.90 0.78 -0.18 1.25 1.08 -0.66 -1.29 115.11 116.99 1f4j h GLN 352 Ca 0.22 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.33 1f4j h GLN 352 Cb 0.19 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1f4j h GLN 352 CO -0.02 0.52 -0.03 0.78 -0.95 0.00 0.00 178.83 179.13 1f4j h GLY 353 N 0.81 0.36 2.00 3.46 0.00 -0.76 -2.95 103.07 105.99 1f4j h GLY 353 Ca 0.41 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1f4j h GLY 353 CO -0.18 0.26 -0.03 3.21 0.00 0.00 0.00 176.54 179.81 1f4j h ARG 354 N 0.06 0.00 -0.09 4.80 3.08 -0.86 -0.42 114.38 120.96 1f4j h ARG 354 Ca 0.05 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.12 1f4j h ARG 354 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1f4j h ARG 354 CO 0.01 0.03 0.15 -0.07 -1.07 0.00 0.00 179.97 179.02 1f4j h LEU 355 N 0.00 0.00 0.00 3.04 3.38 -1.08 -3.01 115.31 117.64 1f4j h LEU 355 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1f4j h LEU 355 Cb 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1f4j h LEU 355 CO 0.00 0.00 -2.22 0.33 0.09 0.00 0.00 178.44 176.65 1f4j n PHE 356 N -3.51 0.00 -0.06 1.13 7.35 -0.21 -4.69 117.46 117.47 1f4j n PHE 356 Ca -0.01 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1f4j n PHE 356 Cb 0.24 -0.81 -0.01 0.00 0.35 0.00 0.00 39.48 39.25 1f4j n PHE 356 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1f4j h ALA 357 N -0.22 -0.05 0.94 3.13 0.00 -1.29 -2.92 119.26 118.85 1f4j h ALA 357 Ca -0.50 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1f4j h ALA 357 Cb 1.67 0.45 0.01 0.00 0.00 0.00 0.00 17.79 19.92 1f4j h ALA 357 CO -0.15 -0.62 -0.45 1.88 0.00 0.00 0.00 179.25 179.91 1f4j h TYR 358 N -0.20 -1.16 -0.77 0.00 -1.99 -1.85 0.22 116.97 111.22 1f4j h TYR 358 Ca 0.15 -0.03 0.14 0.00 2.00 0.00 0.00 58.73 60.99 1f4j h TYR 358 Cb 0.42 0.39 -0.05 0.00 2.00 0.00 0.00 36.73 39.48 1f4j h TYR 358 CO -0.38 -0.72 0.51 -1.35 -0.00 0.00 0.00 178.16 176.21 1f4j h PRO 359 N -1.27 0.46 0.30 4.88 0.11 -1.84 0.38 132.00 135.02 1f4j h PRO 359 Ca -0.13 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 1f4j h PRO 359 Cb 0.96 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1f4j h PRO 359 CO 0.21 0.31 -0.14 0.22 -0.21 0.00 0.00 178.00 178.38 1f4j h ASP 360 N 0.48 -0.34 -0.59 -2.05 3.58 -1.28 -1.63 116.42 114.58 1f4j h ASP 360 Ca 0.38 -0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.68 1f4j h ASP 360 Cb 0.78 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.90 1f4j h ASP 360 CO -0.13 -0.13 0.10 0.00 -2.88 0.00 0.00 179.24 176.20 1f4j h THR 361 N -0.54 1.25 -0.79 2.25 1.03 0.27 -2.50 112.91 113.89 1f4j h THR 361 Ca -0.04 -0.99 0.01 0.00 -0.01 0.00 0.00 66.41 65.38 1f4j h THR 361 Cb 0.40 0.66 -0.04 0.00 -1.07 0.00 0.00 68.15 68.10 1f4j h THR 361 CO 0.07 0.37 0.52 0.45 -0.01 0.00 0.00 175.52 176.92 1f4j h HIS 362 N 0.95 0.98 -0.11 0.00 3.86 -0.14 0.37 115.15 121.07 1f4j h HIS 362 Ca 0.19 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1f4j h HIS 362 Cb 0.41 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1f4j h HIS 362 CO 0.03 0.61 -0.02 0.00 0.86 0.00 0.00 177.93 179.40 1f4j h ARG 363 N 1.05 0.15 0.03 2.45 3.08 -0.84 0.31 114.38 120.61 1f4j h ARG 363 Ca 0.29 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 1f4j h ARG 363 Cb -0.09 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1f4j h ARG 363 CO -0.07 0.19 -0.02 1.25 -1.07 0.00 0.00 179.97 180.25 1f4j h HIS 364 N 0.15 -0.04 -0.15 3.04 2.76 -0.81 -2.70 115.15 117.39 1f4j h HIS 364 Ca 0.04 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1f4j h HIS 364 Cb 0.14 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 1f4j h HIS 364 CO 0.00 0.22 0.10 -0.09 -1.30 0.00 0.00 177.93 176.86 1f4j h ARG 365 N -1.00 0.20 0.00 5.26 2.43 -0.19 -3.38 114.38 117.69 1f4j h ARG 365 Ca -0.00 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 58.90 1f4j h ARG 365 Cb 0.28 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1f4j h ARG 365 CO 0.01 0.14 -1.82 1.28 -1.51 0.00 0.00 179.97 178.06 1f4j n LEU 366 N -4.98 1.89 0.00 3.80 4.77 0.10 -4.37 117.00 118.22 1f4j n LEU 366 Ca -0.04 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1f4j n LEU 366 Cb 0.03 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 1f4j n LEU 366 CO 0.34 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1f4j n GLY 367 N 1.43 3.85 0.37 -0.72 0.00 -0.89 -4.84 105.19 104.38 1f4j n GLY 367 Ca -0.36 -1.27 -0.03 0.00 0.00 0.00 0.00 46.02 44.36 1f4j n GLY 367 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1f4j h PRO 368 N 0.00 -0.06 -1.38 1.61 0.11 -1.87 -0.02 132.00 130.39 1f4j h PRO 368 Ca 0.00 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.78 1f4j h PRO 368 Cb 0.00 0.01 -0.15 0.00 0.11 0.00 0.00 31.00 30.97 1f4j h PRO 368 CO 0.00 -0.04 0.43 0.09 -0.21 0.00 0.00 178.00 178.27 1f4j n ASN 369 N -5.45 5.93 0.13 -2.05 3.02 -1.26 -4.56 115.26 111.03 1f4j n ASN 369 Ca 0.07 -3.07 0.09 0.00 -0.03 0.00 0.00 54.58 51.65 1f4j n ASN 369 Cb 0.38 -0.98 0.49 0.00 -0.61 0.00 0.00 39.78 39.06 1f4j n ASN 369 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f4j n TYR 370 N 0.12 0.62 0.90 3.10 0.18 -0.02 -1.28 117.16 120.78 1f4j n TYR 370 Ca 0.32 0.31 0.12 0.00 1.88 0.00 0.00 57.90 60.54 1f4j n TYR 370 Cb 0.69 -1.00 0.55 0.00 -0.38 0.00 0.00 39.34 39.20 1f4j n TYR 370 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1f4j n LEU 371 N -2.13 0.00 0.13 -3.48 4.77 -1.26 -2.88 117.00 112.14 1f4j n LEU 371 Ca -0.01 0.49 0.07 0.00 -0.03 0.00 0.00 56.01 56.53 1f4j n LEU 371 Cb 0.06 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 40.68 1f4j n LEU 371 CO 0.10 -0.06 0.27 0.45 -1.33 0.00 0.00 177.39 176.82 1f4j h HIS 372 N 0.00 0.00 -2.22 -1.77 3.86 -1.54 -2.95 115.15 110.53 1f4j h HIS 372 Ca 0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 1f4j h HIS 372 Cb 0.44 0.00 0.04 0.00 1.06 0.00 0.00 27.41 28.95 1f4j h HIS 372 CO 0.00 0.27 0.93 -0.89 0.86 0.00 0.00 177.93 179.09 1f4j n ILE 373 N -2.98 0.22 -0.25 2.45 5.41 -1.14 -4.69 119.36 118.38 1f4j n ILE 373 Ca -0.01 -0.04 -0.03 0.00 1.00 0.00 0.00 62.75 63.68 1f4j n ILE 373 Cb 0.66 -1.71 -0.00 0.00 -0.71 0.00 0.00 39.64 37.88 1f4j n ILE 373 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1f4j n PRO 374 N 4.67 -0.19 0.00 0.38 -0.02 -1.26 -0.59 135.00 137.98 1f4j n PRO 374 Ca 0.19 0.98 0.07 0.00 -2.02 0.00 0.00 63.50 62.72 1f4j n PRO 374 Cb 0.30 -1.45 0.30 0.00 -0.02 0.00 0.00 33.50 32.63 1f4j n PRO 374 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1f4j n VAL 375 N -4.90 1.01 -0.05 -1.45 0.24 -1.26 -2.45 118.33 109.48 1f4j n VAL 375 Ca 0.05 0.25 0.01 0.00 -2.04 0.00 0.00 64.34 62.62 1f4j n VAL 375 Cb 0.23 -1.01 -0.15 0.00 -1.47 0.00 0.00 33.84 31.44 1f4j n VAL 375 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1f4j n ASN 376 N -1.49 0.50 -4.72 -1.34 3.02 0.24 -4.86 115.26 106.61 1f4j n ASN 376 Ca 0.04 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.16 1f4j n ASN 376 Cb 0.16 1.47 -0.02 0.00 -0.61 0.00 0.00 39.78 40.78 1f4j n ASN 376 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f4j n PRO 378 N 2.71 3.30 0.20 0.00 -0.04 -1.26 -4.77 135.00 135.14 1f4j n PRO 378 Ca 0.12 -3.30 0.15 0.00 -0.04 0.00 0.00 63.50 60.42 1f4j n PRO 378 Cb 0.35 -3.13 0.67 0.00 -0.04 0.00 0.00 33.50 31.35 1f4j n PRO 378 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1f4j h TYR 379 N 6.35 0.00 -0.01 0.54 -0.00 -1.90 -1.43 116.97 120.52 1f4j h TYR 379 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.17 1f4j h TYR 379 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.44 1f4j h TYR 379 CO 1.31 0.00 -0.23 0.54 -0.00 0.00 0.00 178.16 179.78 1f4j n ARG 380 N -2.56 1.22 -4.03 0.10 5.12 -1.26 -4.90 116.66 110.35 1f4j n ARG 380 Ca 0.00 -0.82 -0.25 0.00 -1.93 0.00 0.00 57.85 54.84 1f4j n ARG 380 Cb 0.17 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 29.94 1f4j n ARG 380 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1f4j s ALA 381 N -2.35 3.95 -0.48 7.54 0.00 -0.54 -4.29 121.76 125.59 1f4j s ALA 381 Ca 0.26 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.56 1f4j s ALA 381 Cb 0.19 -0.54 0.13 0.00 0.00 0.00 0.00 23.12 22.90 1f4j s ALA 381 CO 0.47 -0.24 0.23 0.50 0.00 0.00 0.00 175.76 176.72 1f4j s ARG 382 N -4.05 1.95 -0.14 0.00 6.06 -1.26 -4.95 118.95 116.57 1f4j s ARG 382 Ca 0.37 -2.33 -0.29 0.00 -2.50 0.00 0.00 55.73 50.98 1f4j s ARG 382 Cb 0.01 -3.39 -0.02 0.00 0.06 0.00 0.00 34.95 31.60 1f4j s ARG 382 CO 0.21 -1.07 1.34 0.08 -2.50 0.00 0.00 175.30 173.36 1f4j s VAL 383 N 0.21 4.13 -0.14 7.11 1.01 -1.26 -5.00 120.40 126.46 1f4j s VAL 383 Ca 0.14 1.37 -0.06 0.00 0.00 0.00 0.00 61.98 63.44 1f4j s VAL 383 Cb -0.23 -3.89 0.06 0.00 0.00 0.00 0.00 36.38 32.33 1f4j s VAL 383 CO -0.03 -0.12 0.31 0.00 0.00 0.00 0.00 175.10 175.26 1f4j s ALA 384 N 3.54 -0.73 0.00 5.51 0.00 -1.26 -5.11 121.76 123.71 1f4j s ALA 384 Ca 0.59 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1f4j s ALA 384 Cb -0.24 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1f4j s ALA 384 CO 0.18 -0.42 0.00 0.27 0.00 0.00 0.00 175.76 175.79 1f4j n ASN 385 N 4.72 0.00 -0.45 0.00 0.23 -1.26 -4.94 115.26 113.56 1f4j n ASN 385 Ca -0.17 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 53.94 1f4j n ASN 385 Cb 0.52 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.37 1f4j n ASN 385 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1f4j n TYR 386 N 0.00 0.40 -2.98 -2.53 4.02 -1.26 -4.91 117.16 109.89 1f4j n TYR 386 Ca 0.00 -0.71 -0.39 0.00 -0.01 0.00 0.00 57.90 56.79 1f4j n TYR 386 Cb 0.00 -0.14 -0.06 0.00 -0.02 0.00 0.00 39.34 39.12 1f4j n TYR 386 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1f4j s GLN 387 N -1.91 4.54 0.27 -0.72 -0.21 -1.26 -4.85 119.66 115.52 1f4j s GLN 387 Ca 0.25 1.14 -0.02 0.00 0.02 0.00 0.00 55.36 56.76 1f4j s GLN 387 Cb 0.19 -3.21 -0.02 0.00 1.00 0.00 0.00 33.01 30.97 1f4j s GLN 387 CO 0.08 0.54 0.31 1.03 -2.12 0.00 0.00 175.29 175.13 1f4j s ARG 388 N -1.26 1.56 2.05 2.91 1.81 -1.26 -4.97 118.95 119.79 1f4j s ARG 388 Ca 0.37 -1.68 0.00 0.00 -1.72 0.00 0.00 55.73 52.70 1f4j s ARG 388 Cb -0.22 0.36 0.00 0.00 -0.45 0.00 0.00 34.95 34.64 1f4j s ARG 388 CO 0.26 -0.59 0.00 -0.25 -0.68 0.00 0.00 175.30 174.03 1f4j n ASP 389 N -0.86 0.00 0.00 0.23 10.43 -1.26 -5.05 116.55 120.04 1f4j n ASP 389 Ca 0.02 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.38 1f4j n ASP 389 Cb 0.63 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.59 1f4j n ASP 389 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1f4j n GLY 390 N 0.00 0.14 3.73 0.44 0.00 -1.26 -4.76 105.19 103.48 1f4j n GLY 390 Ca 0.00 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 1f4j n GLY 390 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f4j s PRO 391 N -3.01 2.27 -1.42 1.61 0.04 -1.26 -3.55 135.00 129.68 1f4j s PRO 391 Ca 0.00 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.73 1f4j s PRO 391 Cb 0.00 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.69 1f4j s PRO 391 CO 0.00 -1.72 0.44 -1.33 0.04 0.00 0.00 177.00 174.43 1f4j n MET 392 N -2.63 -3.33 -2.33 4.56 2.81 -1.26 -4.34 117.12 110.59 1f4j n MET 392 Ca 0.13 0.41 -0.43 0.00 -1.81 0.00 0.00 57.70 56.00 1f4j n MET 392 Cb 0.50 -4.57 -0.02 0.00 -0.71 0.00 0.00 33.22 28.42 1f4j n MET 392 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1f4j h MET 394 N 10.45 0.28 0.00 0.00 2.86 -1.94 -3.48 114.93 123.10 1f4j h MET 394 Ca -0.28 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 56.88 1f4j h MET 394 Cb 1.11 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.95 1f4j h MET 394 CO 1.06 1.23 0.00 1.04 1.06 0.00 0.00 176.91 181.30 1f4j n GLN 395 N -3.82 0.53 0.00 1.72 3.00 -1.26 -4.87 117.38 112.68 1f4j n GLN 395 Ca -0.26 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 56.88 1f4j n GLN 395 Cb 0.95 0.00 0.84 0.00 0.00 0.00 0.00 30.24 32.03 1f4j n GLN 395 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1f4j n ASP 396 N -0.77 0.00 -2.29 1.08 5.75 -1.26 -4.87 116.55 114.20 1f4j n ASP 396 Ca 0.00 -1.07 -0.19 0.00 -0.01 0.00 0.00 54.79 53.52 1f4j n ASP 396 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1f4j n ASP 396 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1f4j n ASN 397 N -0.95 -5.50 -2.95 -1.12 5.15 -1.26 -1.83 115.26 106.79 1f4j n ASN 397 Ca 0.21 -0.08 -0.22 0.00 -0.60 0.00 0.00 54.58 53.89 1f4j n ASN 397 Cb 0.10 -4.50 0.03 0.00 -0.53 0.00 0.00 39.78 34.87 1f4j n ASN 397 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1f4j n GLN 398 N -3.03 -4.42 0.00 1.20 6.02 -1.26 -4.84 117.38 111.05 1f4j n GLN 398 Ca -0.19 0.90 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 1f4j n GLN 398 Cb 0.66 -5.74 0.00 0.00 1.02 0.00 0.00 30.24 26.18 1f4j n GLN 398 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1f4j n GLY 399 N -1.44 2.46 1.13 1.08 0.00 -0.76 -2.73 105.19 104.93 1f4j n GLY 399 Ca -0.13 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1f4j n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4j n GLY 400 N 0.00 1.79 3.48 -0.02 0.00 -1.26 -5.01 105.19 104.18 1f4j n GLY 400 Ca 0.00 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 1f4j n GLY 400 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f4j n ALA 401 N 1.45 -1.12 -1.69 4.61 0.00 -1.10 -4.80 120.51 117.85 1f4j n ALA 401 Ca 0.19 0.11 -0.44 0.00 0.00 0.00 0.00 53.44 53.30 1f4j n ALA 401 Cb 0.59 -1.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 1f4j n ALA 401 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1f4j n PRO 402 N 0.30 2.55 -0.33 0.00 -0.02 -1.26 -4.89 135.00 131.35 1f4j n PRO 402 Ca 0.11 0.92 0.09 0.00 -2.02 0.00 0.00 63.50 62.60 1f4j n PRO 402 Cb 0.42 -2.76 0.26 0.00 -0.02 0.00 0.00 33.50 31.40 1f4j n PRO 402 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1f4j n ASN 403 N 4.54 3.19 -4.22 2.55 2.04 -1.26 -4.91 115.26 117.19 1f4j n ASN 403 Ca 0.17 -2.06 -0.24 0.00 -0.44 0.00 0.00 54.58 52.01 1f4j n ASN 403 Cb 0.33 -0.40 -0.14 0.00 -2.53 0.00 0.00 39.78 37.04 1f4j n ASN 403 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1f4j s TYR 404 N -1.34 1.63 -0.05 -2.53 1.13 -1.26 -4.82 117.35 110.11 1f4j s TYR 404 Ca 0.38 -0.37 0.03 0.00 -1.41 0.00 0.00 57.07 55.71 1f4j s TYR 404 Cb 0.21 -0.97 0.01 0.00 -1.10 0.00 0.00 41.96 40.10 1f4j s TYR 404 CO 0.25 0.08 -0.13 -0.47 -2.51 0.00 0.00 175.55 172.76 1f4j s TYR 405 N -0.81 1.47 0.86 -3.49 5.04 -1.26 -3.97 117.35 115.17 1f4j s TYR 405 Ca 0.06 -0.48 -0.13 0.00 -2.44 0.00 0.00 57.07 54.08 1f4j s TYR 405 Cb -0.08 -1.04 0.12 0.00 0.35 0.00 0.00 41.96 41.30 1f4j s TYR 405 CO 0.02 -0.22 1.22 -1.25 -1.34 0.00 0.00 175.55 173.98 1f4j s PRO 406 N 0.39 1.53 0.06 4.97 0.04 -1.26 -5.21 135.00 135.53 1f4j s PRO 406 Ca -0.10 -0.09 -0.18 0.00 0.04 0.00 0.00 61.00 60.67 1f4j s PRO 406 Cb -0.13 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.52 1f4j s PRO 406 CO 0.03 -1.85 0.43 0.54 0.04 0.00 0.00 177.00 176.19 1f4j s ASN 407 N -4.68 -0.30 -0.49 6.66 2.20 -1.25 -5.04 114.94 112.03 1f4j s ASN 407 Ca 0.66 -0.04 0.00 0.00 -0.94 0.00 0.00 52.86 52.54 1f4j s ASN 407 Cb -0.09 0.45 0.43 0.00 -2.00 0.00 0.00 41.25 40.05 1f4j s ASN 407 CO 0.50 -0.72 1.94 -1.20 -2.94 0.00 0.00 177.10 174.68 1f4j n SER 408 N 0.32 6.04 -0.31 3.54 7.64 -1.26 -4.38 113.62 125.21 1f4j n SER 408 Ca -0.18 -3.47 0.06 0.00 1.01 0.00 0.00 58.87 56.29 1f4j n SER 408 Cb 0.61 -0.93 0.09 0.00 -1.01 0.00 0.00 64.21 62.96 1f4j n SER 408 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1f4j n PHE 409 N -0.62 0.00 0.00 1.43 3.72 -1.26 -5.04 117.46 115.69 1f4j n PHE 409 Ca 0.51 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1f4j n PHE 409 Cb 0.92 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 1f4j n PHE 409 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1f4j n GLY 410 N -0.80 2.92 2.59 1.37 0.00 -1.26 -4.93 105.19 105.08 1f4j n GLY 410 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1f4j n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f4j n ALA 411 N -0.26 -4.96 -0.81 4.61 0.00 -1.26 -4.75 120.51 113.08 1f4j n ALA 411 Ca 0.00 -0.56 -0.27 0.00 0.00 0.00 0.00 53.44 52.61 1f4j n ALA 411 Cb 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 1f4j n ALA 411 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1f4j n PRO 412 N 2.10 0.00 -4.18 0.00 -0.02 -1.26 -5.00 135.00 126.63 1f4j n PRO 412 Ca -0.01 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.28 1f4j n PRO 412 Cb 0.48 -0.61 -0.12 0.00 -0.02 0.00 0.00 33.50 33.23 1f4j n PRO 412 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1f4j s GLU 413 N -0.61 0.84 0.28 -0.52 0.41 -1.26 -5.04 118.70 112.81 1f4j s GLU 413 Ca 0.37 -0.97 -0.29 0.00 -0.41 0.00 0.00 54.97 53.66 1f4j s GLU 413 Cb -0.44 -0.87 -0.10 0.00 -1.78 0.00 0.00 34.13 30.95 1f4j s GLU 413 CO 0.37 0.19 1.19 1.14 -0.49 0.00 0.00 175.26 177.66 1f4j s GLN 414 N -1.76 4.52 -0.32 1.61 -2.07 -1.26 -5.01 119.66 115.36 1f4j s GLN 414 Ca -0.01 1.96 -0.08 0.00 -1.82 0.00 0.00 55.36 55.41 1f4j s GLN 414 Cb -0.10 -3.16 0.02 0.00 -1.09 0.00 0.00 33.01 28.68 1f4j s GLN 414 CO 0.02 0.03 0.12 1.14 -1.32 0.00 0.00 175.29 175.28 1f4j s GLN 415 N -1.35 2.94 0.51 9.60 -2.07 -1.26 -4.98 119.66 123.05 1f4j s GLN 415 Ca 0.47 -0.97 0.32 0.00 -1.82 0.00 0.00 55.36 53.37 1f4j s GLN 415 Cb -0.35 -3.48 1.46 0.00 -1.09 0.00 0.00 33.01 29.55 1f4j s GLN 415 CO 0.44 -0.55 1.81 -1.35 -1.32 0.00 0.00 175.29 174.33 1f4j h PRO 416 N 8.28 0.07 -0.04 9.60 0.11 -2.01 -1.06 132.00 146.95 1f4j h PRO 416 Ca -0.28 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.84 1f4j h PRO 416 Cb 1.11 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1f4j h PRO 416 CO 0.62 0.05 0.13 0.66 -0.21 0.00 0.00 178.00 179.24 1f4j h SER 417 N 0.07 0.00 0.30 -2.05 4.64 -2.04 -1.38 113.55 113.09 1f4j h SER 417 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1f4j h SER 417 Cb 2.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.11 1f4j h SER 417 CO -0.06 0.00 -0.10 0.00 -0.87 0.00 0.00 176.83 175.80 1f4j n ALA 418 N -2.12 2.75 -1.69 5.18 0.00 -0.40 -4.93 120.51 119.30 1f4j n ALA 418 Ca -0.02 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 1f4j n ALA 418 Cb 0.21 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.33 1f4j n ALA 418 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1f4j n LEU 419 N -0.85 3.54 -4.78 0.00 7.94 -0.52 -4.89 117.00 117.43 1f4j n LEU 419 Ca 0.15 1.17 -0.33 0.00 -1.11 0.00 0.00 56.01 55.90 1f4j n LEU 419 Cb 0.27 -1.47 0.05 0.00 0.53 0.00 0.00 43.42 42.80 1f4j n LEU 419 CO 0.23 -0.62 0.73 -1.61 -1.11 0.00 0.00 177.39 175.01 1f4j s GLU 420 N -1.96 2.82 0.07 1.96 8.01 -1.26 -5.00 118.70 123.35 1f4j s GLU 420 Ca 0.57 1.33 -0.30 0.00 0.01 0.00 0.00 54.97 56.58 1f4j s GLU 420 Cb -0.56 -1.96 -0.06 0.00 -4.31 0.00 0.00 34.13 27.25 1f4j s GLU 420 CO 0.61 -1.23 1.18 -1.58 0.01 0.00 0.00 175.26 174.26 1f4j s HIS 421 N -2.44 3.46 -0.12 1.61 5.65 -1.26 -5.03 115.29 117.15 1f4j s HIS 421 Ca 0.66 1.34 -0.03 0.00 0.25 0.00 0.00 55.06 57.27 1f4j s HIS 421 Cb -0.19 -3.40 -0.03 0.00 -1.18 0.00 0.00 32.58 27.77 1f4j s HIS 421 CO 0.43 -1.19 0.00 -1.54 -0.65 0.00 0.00 174.74 171.79 1f4j s SER 422 N 0.94 5.19 0.33 9.88 1.04 -1.26 -5.10 113.70 124.72 1f4j s SER 422 Ca 0.58 0.05 0.04 0.00 0.48 0.00 0.00 55.95 57.10 1f4j s SER 422 Cb -0.29 -1.66 -0.07 0.00 0.10 0.00 0.00 66.02 64.11 1f4j s SER 422 CO 0.30 0.28 0.05 -0.63 0.98 0.00 0.00 173.24 174.22 1f4j s ILE 423 N -0.29 1.30 -0.02 -1.02 1.01 -1.26 -5.16 121.20 115.76 1f4j s ILE 423 Ca 0.06 -2.00 0.05 0.00 0.00 0.00 0.00 60.65 58.76 1f4j s ILE 423 Cb -0.12 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 1f4j s ILE 423 CO 0.02 -0.01 -0.17 -1.58 0.00 0.00 0.00 174.94 173.20 1f4j s GLN 424 N -3.86 1.47 0.14 2.79 0.74 -1.26 -5.14 119.66 114.53 1f4j s GLN 424 Ca 0.36 -0.60 0.09 0.00 0.05 0.00 0.00 55.36 55.26 1f4j s GLN 424 Cb 0.09 -1.37 -0.04 0.00 1.10 0.00 0.00 33.01 32.78 1f4j s GLN 424 CO 0.16 0.32 -0.13 0.71 -0.55 0.00 0.00 175.29 175.80 1f4j s TYR 425 N -0.26 2.61 0.08 1.67 1.51 -1.26 -5.13 117.35 116.58 1f4j s TYR 425 Ca 0.03 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 1f4j s TYR 425 Cb -0.08 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 1f4j s TYR 425 CO 0.00 0.45 0.13 -1.12 -1.11 0.00 0.00 175.55 173.89 1f4j s SER 426 N -2.43 5.80 0.00 2.29 0.01 -1.26 -5.03 113.70 113.07 1f4j s SER 426 Ca 0.21 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1f4j s SER 426 Cb -0.10 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.49 1f4j s SER 426 CO 0.13 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.55 1f4j n GLY 427 N 0.34 2.40 3.94 3.44 0.00 -1.26 -5.08 105.19 108.98 1f4j n GLY 427 Ca -0.07 -2.04 -0.24 0.00 0.00 0.00 0.00 46.02 43.66 1f4j n GLY 427 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1f4j s GLU 428 N -2.36 2.89 -0.48 1.61 -1.05 -1.26 -5.03 118.70 113.01 1f4j s GLU 428 Ca 0.00 -0.34 -0.24 0.00 -0.15 0.00 0.00 54.97 54.25 1f4j s GLU 428 Cb 0.00 -2.42 0.03 0.00 -0.44 0.00 0.00 34.13 31.30 1f4j s GLU 428 CO 0.00 -0.55 0.85 0.08 0.95 0.00 0.00 175.26 176.59 1f4j s VAL 429 N -2.79 4.55 0.08 1.83 1.01 -1.26 -4.95 120.40 118.88 1f4j s VAL 429 Ca 0.52 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.82 1f4j s VAL 429 Cb -0.10 -4.40 0.04 0.00 0.00 0.00 0.00 36.38 31.92 1f4j s VAL 429 CO 0.41 -0.84 0.58 -2.11 0.00 0.00 0.00 175.10 173.14 1f4j n ARG 430 N 6.98 0.30 -3.29 2.72 1.85 -1.26 -5.13 116.66 118.82 1f4j n ARG 430 Ca 0.03 -0.72 -0.39 0.00 -1.00 0.00 0.00 57.85 55.77 1f4j n ARG 430 Cb 0.48 1.00 -0.07 0.00 -1.05 0.00 0.00 32.46 32.82 1f4j n ARG 430 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1f4j s ARG 431 N -2.02 4.23 -0.26 2.89 0.52 -1.26 -5.04 118.95 118.00 1f4j s ARG 431 Ca 0.13 0.38 -0.04 0.00 -0.52 0.00 0.00 55.73 55.68 1f4j s ARG 431 Cb -0.01 -3.52 0.01 0.00 0.52 0.00 0.00 34.95 31.94 1f4j s ARG 431 CO 0.02 -0.04 0.00 -0.06 0.02 0.00 0.00 175.30 175.25 1f4j s PHE 432 N 1.29 3.07 0.39 -0.53 0.08 -1.26 -5.08 117.98 115.94 1f4j s PHE 432 Ca 0.23 -1.14 -0.27 0.00 0.12 0.00 0.00 56.93 55.87 1f4j s PHE 432 Cb -0.15 -2.15 -0.10 0.00 -0.57 0.00 0.00 43.02 40.05 1f4j s PHE 432 CO 0.09 -0.61 1.43 1.21 -0.10 0.00 0.00 175.22 177.24 1f4j s ASN 433 N 1.44 6.31 0.00 1.36 3.04 -1.26 -4.89 114.94 120.95 1f4j s ASN 433 Ca 0.03 2.93 0.00 0.00 0.04 0.00 0.00 52.86 55.85 1f4j s ASN 433 Cb -0.16 -2.66 0.00 0.00 -1.54 0.00 0.00 41.25 36.89 1f4j s ASN 433 CO -0.01 -0.88 0.51 0.35 -3.04 0.00 0.00 177.10 174.03 1f4j n THR 434 N 0.34 0.24 0.27 -5.21 -2.24 -1.26 -4.77 114.28 101.65 1f4j n THR 434 Ca 0.02 -0.30 0.17 0.00 -2.27 0.00 0.00 64.05 61.68 1f4j n THR 434 Cb 0.41 1.10 0.94 0.00 -2.10 0.00 0.00 70.33 70.67 1f4j n THR 434 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f4j h ALA 435 N 0.00 1.52 -0.47 6.98 0.00 -2.01 -2.28 119.26 123.00 1f4j h ALA 435 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f4j h ALA 435 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1f4j h ALA 435 CO 0.00 -0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.20 1f4j n ASN 436 N -3.61 4.47 -4.18 0.00 3.02 -1.26 -4.80 115.26 108.90 1f4j n ASN 436 Ca -0.01 -2.67 -0.29 0.00 -0.03 0.00 0.00 54.58 51.58 1f4j n ASN 436 Cb 0.20 -0.55 0.21 0.00 -0.61 0.00 0.00 39.78 39.03 1f4j n ASN 436 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1f4j s ASP 437 N -1.21 1.82 0.06 6.41 1.01 -0.86 -4.86 116.67 119.04 1f4j s ASP 437 Ca 0.45 0.78 -0.35 0.00 0.71 0.00 0.00 52.55 54.15 1f4j s ASP 437 Cb 0.32 -1.15 -0.14 0.00 1.01 0.00 0.00 42.92 42.96 1f4j s ASP 437 CO 0.17 -3.58 1.65 -0.67 0.21 0.00 0.00 175.17 172.94 1f4j n ASP 438 N -4.42 3.00 -0.00 0.27 -0.08 -1.26 -4.87 116.55 109.19 1f4j n ASP 438 Ca 0.10 1.06 0.02 0.00 -1.51 0.00 0.00 54.79 54.46 1f4j n ASP 438 Cb 0.59 -1.37 -0.02 0.00 2.34 0.00 0.00 41.12 42.65 1f4j n ASP 438 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1f4j n ASN 439 N 4.33 1.05 -0.02 1.67 3.02 -1.26 -4.84 115.26 119.20 1f4j n ASN 439 Ca 0.19 -0.46 -0.02 0.00 -0.03 0.00 0.00 54.58 54.26 1f4j n ASN 439 Cb 0.27 1.04 -0.03 0.00 -0.61 0.00 0.00 39.78 40.45 1f4j n ASN 439 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1f4j n VAL 440 N -1.20 0.26 0.00 2.41 0.24 -1.26 -4.58 118.33 114.20 1f4j n VAL 440 Ca 0.00 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1f4j n VAL 440 Cb 0.07 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.60 1f4j n VAL 440 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1f4j n THR 441 N -2.27 0.00 -0.07 3.34 -1.04 -1.26 -0.37 114.28 112.60 1f4j n THR 441 Ca -0.07 1.48 0.17 0.00 -2.04 0.00 0.00 64.05 63.60 1f4j n THR 441 Cb 0.61 -2.09 0.60 0.00 -1.82 0.00 0.00 70.33 67.64 1f4j n THR 441 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1f4j h GLN 442 N 0.00 0.20 -0.49 -2.82 4.20 -1.93 -1.39 115.11 112.88 1f4j h GLN 442 Ca 0.00 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1f4j h GLN 442 Cb 0.00 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1f4j h GLN 442 CO 0.00 0.13 0.02 0.28 -0.67 0.00 0.00 178.83 178.59 1f4j h VAL 443 N 0.20 1.26 -0.81 -0.54 2.07 -1.40 -2.52 116.25 114.50 1f4j h VAL 443 Ca 0.30 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.82 1f4j h VAL 443 Cb 0.89 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1f4j h VAL 443 CO -0.05 0.36 0.52 -0.09 0.02 0.00 0.00 177.57 178.32 1f4j h ARG 444 N 0.70 0.97 0.16 1.57 2.43 0.44 -0.36 114.38 120.29 1f4j h ARG 444 Ca 0.14 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1f4j h ARG 444 Cb 0.48 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1f4j h ARG 444 CO 0.02 0.64 -0.34 0.00 -1.51 0.00 0.00 179.97 178.78 1f4j h ALA 445 N 1.34 -0.61 -0.36 2.80 0.00 -1.27 0.05 119.26 121.21 1f4j h ALA 445 Ca 0.33 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.24 1f4j h ALA 445 Cb 0.03 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1f4j h ALA 445 CO -0.12 -0.90 -0.06 0.35 0.00 0.00 0.00 179.25 178.52 1f4j h PHE 446 N -0.59 -0.14 -0.48 0.00 3.57 -1.00 0.24 116.94 118.54 1f4j h PHE 446 Ca 0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1f4j h PHE 446 Cb 0.61 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 1f4j h PHE 446 CO -0.29 -0.13 0.28 -0.92 -2.23 0.00 0.00 178.31 175.02 1f4j h TYR 447 N 0.03 0.64 0.00 0.41 -0.00 -0.58 -2.02 116.97 115.46 1f4j h TYR 447 Ca 0.18 -0.01 -0.13 0.00 -0.00 0.00 0.00 58.73 58.77 1f4j h TYR 447 Cb 0.26 -0.21 -0.02 0.00 -0.00 0.00 0.00 36.73 36.77 1f4j h TYR 447 CO -0.30 0.46 -1.04 1.55 -0.00 0.00 0.00 178.16 178.83 1f4j n VAL 448 N -4.69 1.48 0.03 1.81 3.14 -0.04 -4.27 118.33 115.79 1f4j n VAL 448 Ca 0.02 0.06 -0.01 0.00 -2.96 0.00 0.00 64.34 61.45 1f4j n VAL 448 Cb 0.07 -2.22 -0.01 0.00 -1.06 0.00 0.00 33.84 30.62 1f4j n VAL 448 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 1f4j h ASN 449 N -1.00 -0.08 -0.50 6.55 -0.26 -0.70 -3.38 115.58 116.22 1f4j h ASN 449 Ca -0.19 0.00 0.10 0.00 -0.56 0.00 0.00 56.30 55.65 1f4j h ASN 449 Cb 0.95 0.02 -0.09 0.00 -1.06 0.00 0.00 38.32 38.14 1f4j h ASN 449 CO -0.12 -0.04 -0.06 0.58 -1.06 0.00 0.00 177.43 176.73 1f4j h VAL 450 N -0.13 0.55 -3.33 2.81 2.07 -1.40 -3.43 116.25 113.39 1f4j h VAL 450 Ca -0.01 -0.02 -0.56 0.00 0.82 0.00 0.00 66.70 66.93 1f4j h VAL 450 Cb 0.07 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1f4j h VAL 450 CO 0.02 0.01 -0.05 -0.76 0.02 0.00 0.00 177.57 176.81 1f4j s LEU 451 N -10.65 4.39 0.72 2.57 1.43 -0.77 -5.06 118.68 111.31 1f4j s LEU 451 Ca -0.14 1.17 -0.05 0.00 -1.03 0.00 0.00 54.13 54.08 1f4j s LEU 451 Cb 0.16 -3.20 0.09 0.00 0.03 0.00 0.00 46.19 43.28 1f4j s LEU 451 CO 0.72 0.14 1.02 0.54 0.23 0.00 0.00 176.35 179.00 1f4j s ASN 452 N -1.53 4.53 0.20 2.29 2.20 -1.26 -4.73 114.94 116.65 1f4j s ASN 452 Ca 0.36 0.15 -0.10 0.00 -0.94 0.00 0.00 52.86 52.33 1f4j s ASN 452 Cb -0.16 -0.69 0.26 0.00 -2.00 0.00 0.00 41.25 38.66 1f4j s ASN 452 CO 0.19 -1.75 1.74 -0.08 -2.94 0.00 0.00 177.10 174.26 1f4j h GLU 453 N -0.62 0.37 -0.30 3.55 4.57 -1.95 -2.32 114.58 117.87 1f4j h GLU 453 Ca -0.42 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 57.80 1f4j h GLU 453 Cb 1.29 -0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 29.72 1f4j h GLU 453 CO 0.51 0.24 -0.34 0.93 -1.18 0.00 0.00 179.01 179.17 1f4j h GLU 454 N 0.38 -0.31 -0.04 1.92 4.39 -2.01 -2.51 114.58 116.40 1f4j h GLU 454 Ca 0.30 0.02 0.04 0.00 0.34 0.00 0.00 59.36 60.05 1f4j h GLU 454 Cb 0.37 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 1f4j h GLU 454 CO -0.31 -0.21 -0.26 1.96 -1.16 0.00 0.00 179.01 179.04 1f4j h GLN 455 N -0.32 -0.36 -0.67 2.33 4.20 -1.80 -2.47 115.11 116.02 1f4j h GLN 455 Ca 0.14 0.02 0.13 0.00 0.06 0.00 0.00 58.65 59.00 1f4j h GLN 455 Cb 0.55 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.32 1f4j h GLN 455 CO -0.48 -0.24 0.19 0.00 -0.67 0.00 0.00 178.83 177.63 1f4j h ARG 456 N -0.37 0.31 -0.56 1.46 3.08 -1.11 0.22 114.38 117.40 1f4j h ARG 456 Ca 0.07 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.12 1f4j h ARG 456 Cb 0.48 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1f4j h ARG 456 CO -0.25 0.21 0.37 -0.22 -1.07 0.00 0.00 179.97 179.00 1f4j h LYS 457 N 0.32 0.72 -0.56 0.04 3.64 -1.18 0.14 116.57 119.69 1f4j h LYS 457 Ca 0.36 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1f4j h LYS 457 Cb 0.55 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1f4j h LYS 457 CO -0.42 0.48 0.04 -0.09 -2.27 0.00 0.00 179.45 177.19 1f4j h ARG 458 N 0.74 0.92 0.51 1.90 2.43 -0.82 -1.13 114.38 118.94 1f4j h ARG 458 Ca 0.21 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1f4j h ARG 458 Cb -0.06 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1f4j h ARG 458 CO -0.06 0.89 -0.25 1.25 -1.51 0.00 0.00 179.97 180.29 1f4j h LEU 459 N 0.86 -0.58 -0.78 3.80 5.85 0.33 0.22 115.31 125.01 1f4j h LEU 459 Ca 0.17 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.98 1f4j h LEU 459 Cb 0.45 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 1f4j h LEU 459 CO 0.02 -0.36 0.42 0.00 -0.34 0.00 0.00 178.44 178.17 1f4j h GLU 461 N 0.69 0.16 0.00 0.00 5.08 -0.93 -0.12 114.58 119.45 1f4j h GLU 461 Ca 0.39 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.69 1f4j h GLU 461 Cb 0.41 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1f4j h GLU 461 CO -0.27 0.19 -0.17 -0.91 -1.00 0.00 0.00 179.01 176.85 1f4j h ASN 462 N 0.08 0.00 0.14 1.42 2.35 -0.48 -0.33 115.58 118.76 1f4j h ASN 462 Ca 0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1f4j h ASN 462 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1f4j h ASN 462 CO -0.01 0.17 -0.07 0.40 -1.65 0.00 0.00 177.43 176.28 1f4j h ILE 463 N 0.00 0.54 -0.72 2.81 2.04 -0.83 -3.26 117.51 118.09 1f4j h ILE 463 Ca -0.00 -1.16 0.14 0.00 1.00 0.00 0.00 64.86 64.84 1f4j h ILE 463 Cb 0.39 0.95 -0.09 0.00 -0.74 0.00 0.00 36.82 37.33 1f4j h ILE 463 CO 0.02 0.16 0.26 0.00 0.00 0.00 0.00 178.15 178.59 1f4j h ALA 464 N -0.66 0.99 -0.20 1.87 0.00 -0.91 0.24 119.26 120.58 1f4j h ALA 464 Ca -0.02 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1f4j h ALA 464 Cb 0.40 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1f4j h ALA 464 CO 0.03 -0.23 0.17 0.78 0.00 0.00 0.00 179.25 179.99 1f4j h GLY 465 N 0.40 0.00 0.07 0.00 0.00 -1.16 0.76 103.07 103.14 1f4j h GLY 465 Ca 0.39 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.34 1f4j h GLY 465 CO -0.41 0.00 -2.42 1.57 0.00 0.00 0.00 176.54 175.28 1f4j n HIS 466 N -4.23 0.15 0.18 5.60 -0.00 -0.32 -4.42 115.22 112.20 1f4j n HIS 466 Ca 0.02 0.03 0.04 0.00 -0.00 0.00 0.00 57.72 57.81 1f4j n HIS 466 Cb 0.30 -1.02 0.35 0.00 -0.00 0.00 0.00 29.99 29.62 1f4j n HIS 466 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1f4j h LEU 467 N 0.00 0.00 -0.89 0.27 5.85 -0.45 -3.15 115.31 116.94 1f4j h LEU 467 Ca -0.56 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1f4j h LEU 467 Cb 1.91 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.94 1f4j h LEU 467 CO -0.07 0.40 0.00 2.29 -0.34 0.00 0.00 178.44 180.72 1f4j n LYS 468 N -3.75 0.09 0.07 1.25 -0.00 0.25 -0.88 118.16 115.19 1f4j n LYS 468 Ca -0.01 0.59 0.12 0.00 -0.00 0.00 0.00 58.31 59.00 1f4j n LYS 468 Cb 0.47 -1.79 0.15 0.00 -0.00 0.00 0.00 35.03 33.87 1f4j n LYS 468 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1f4j h ASP 469 N 0.00 0.00 -4.34 -5.58 3.32 -1.81 -3.47 116.42 104.54 1f4j h ASP 469 Ca 0.00 -0.19 -0.51 0.00 0.02 0.00 0.00 57.03 56.36 1f4j h ASP 469 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 1f4j h ASP 469 CO 0.00 0.09 0.37 0.00 -1.72 0.00 0.00 179.24 177.99 1f4j s ALA 470 N -3.19 2.67 0.90 3.45 0.00 -0.06 -4.75 121.76 120.78 1f4j s ALA 470 Ca 0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.89 1f4j s ALA 470 Cb 0.13 -3.14 0.14 0.00 0.00 0.00 0.00 23.12 20.24 1f4j s ALA 470 CO 0.73 -1.24 1.14 -0.65 0.00 0.00 0.00 175.76 175.73 1f4j s GLN 471 N -5.10 1.17 0.18 0.00 -0.21 -1.26 -4.77 119.66 109.67 1f4j s GLN 471 Ca 0.58 1.47 -0.10 0.00 0.02 0.00 0.00 55.36 57.33 1f4j s GLN 471 Cb -0.14 -1.75 0.09 0.00 1.00 0.00 0.00 33.01 32.21 1f4j s GLN 471 CO 0.55 -2.50 1.70 0.82 -2.12 0.00 0.00 175.29 173.74 1f4j h ILE 472 N -1.77 1.25 -0.47 1.08 2.04 -1.96 -0.59 117.51 117.09 1f4j h ILE 472 Ca -0.44 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 64.50 1f4j h ILE 472 Cb 1.26 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1f4j h ILE 472 CO 0.43 0.34 0.13 2.19 0.00 0.00 0.00 178.15 181.24 1f4j h PHE 473 N 0.93 0.72 -0.30 1.37 -5.15 -2.00 0.19 116.94 112.70 1f4j h PHE 473 Ca 0.20 -0.05 -0.10 0.00 -0.20 0.00 0.00 57.97 57.82 1f4j h PHE 473 Cb 0.33 -0.22 -0.01 0.00 0.22 0.00 0.00 35.95 36.27 1f4j h PHE 473 CO 0.02 0.60 -0.24 0.82 -2.00 0.00 0.00 178.31 177.52 1f4j h ILE 474 N 0.69 1.27 -0.10 0.88 2.04 -1.84 -2.70 117.51 117.75 1f4j h ILE 474 Ca 0.16 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 1f4j h ILE 474 Cb 0.23 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1f4j h ILE 474 CO -0.01 0.42 0.03 1.56 0.00 0.00 0.00 178.15 180.15 1f4j h GLN 475 N 0.51 0.16 -0.07 2.37 4.20 0.58 -2.15 115.11 120.71 1f4j h GLN 475 Ca 0.07 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.78 1f4j h GLN 475 Cb 0.69 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.38 1f4j h GLN 475 CO 0.05 0.31 -0.44 0.87 -0.67 0.00 0.00 178.83 178.95 1f4j h LYS 476 N -0.03 -0.53 -0.75 1.46 1.79 -0.49 -0.07 116.57 117.95 1f4j h LYS 476 Ca 0.03 0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.58 1f4j h LYS 476 Cb 0.23 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.95 1f4j h LYS 476 CO -0.00 -0.35 0.50 -0.22 -1.08 0.00 0.00 179.45 178.29 1f4j h LYS 477 N -0.55 0.88 0.03 3.15 3.64 -1.49 0.20 116.57 122.42 1f4j h LYS 477 Ca 0.06 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1f4j h LYS 477 Cb 0.65 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1f4j h LYS 477 CO -0.37 0.58 -0.01 0.00 -2.27 0.00 0.00 179.45 177.38 1f4j h ALA 478 N 1.56 -0.04 -0.91 5.00 0.00 -0.67 -2.70 119.26 121.51 1f4j h ALA 478 Ca 0.30 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1f4j h ALA 478 Cb 0.08 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1f4j h ALA 478 CO -0.09 -0.38 0.60 0.28 0.00 0.00 0.00 179.25 179.66 1f4j h VAL 479 N -0.31 1.24 -0.60 0.00 2.07 -0.50 -2.25 116.25 115.90 1f4j h VAL 479 Ca -0.00 -0.43 0.10 0.00 0.82 0.00 0.00 66.70 67.19 1f4j h VAL 479 Cb 0.29 -0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 29.84 1f4j h VAL 479 CO 0.01 0.23 -0.36 0.50 0.02 0.00 0.00 177.57 177.97 1f4j h LYS 480 N 1.24 -0.17 -0.30 1.57 3.64 -0.43 -0.65 116.57 121.48 1f4j h LYS 480 Ca 0.33 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 1f4j h LYS 480 Cb -0.14 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1f4j h LYS 480 CO -0.07 -0.11 0.11 -0.91 -2.27 0.00 0.00 179.45 176.19 1f4j h ASN 481 N -0.17 0.42 -0.45 4.20 2.35 -1.12 -2.30 115.58 118.51 1f4j h ASN 481 Ca 0.22 -0.18 0.13 0.00 -0.55 0.00 0.00 56.30 55.92 1f4j h ASN 481 Cb 0.56 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1f4j h ASN 481 CO -0.69 0.49 0.32 -0.26 -1.65 0.00 0.00 177.43 175.64 1f4j h PHE 482 N 0.32 0.01 -0.47 1.19 0.04 -0.75 0.19 116.94 117.47 1f4j h PHE 482 Ca 0.10 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.73 1f4j h PHE 482 Cb 0.21 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1f4j h PHE 482 CO -0.00 0.00 -0.22 1.15 -0.60 0.00 0.00 178.31 178.64 1f4j h THR 483 N 0.01 1.27 -0.76 -1.55 2.02 -0.60 -1.71 112.91 111.58 1f4j h THR 483 Ca 0.21 -1.39 0.10 0.00 0.77 0.00 0.00 66.41 66.11 1f4j h THR 483 Cb 0.85 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 68.35 1f4j h THR 483 CO -0.00 0.48 0.50 -0.33 0.37 0.00 0.00 175.52 176.54 1f4j h GLU 484 N 0.84 0.64 -0.19 6.66 4.39 -0.34 0.47 114.58 127.05 1f4j h GLU 484 Ca 0.11 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.59 1f4j h GLU 484 Cb 0.80 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1f4j h GLU 484 CO 0.07 0.43 -0.57 0.28 -1.16 0.00 0.00 179.01 178.05 1f4j h VAL 485 N 0.66 1.30 -0.53 3.13 2.07 -1.14 -3.47 116.25 118.28 1f4j h VAL 485 Ca 0.35 -1.79 0.23 0.00 0.82 0.00 0.00 66.70 66.31 1f4j h VAL 485 Cb 0.49 1.90 -0.28 0.00 -1.52 0.00 0.00 31.29 31.88 1f4j h VAL 485 CO -0.13 0.57 0.50 -2.28 0.02 0.00 0.00 177.57 176.25 1f4j s HIS 486 N -3.91 -0.22 0.33 1.57 2.46 0.14 -4.59 115.29 111.06 1f4j s HIS 486 Ca -0.11 0.40 0.09 0.00 0.47 0.00 0.00 55.06 55.90 1f4j s HIS 486 Cb 0.08 0.13 0.95 0.00 -0.13 0.00 0.00 32.58 33.62 1f4j s HIS 486 CO 0.87 -0.11 1.60 -1.35 -2.47 0.00 0.00 174.74 173.28 1f4j h PRO 487 N 6.76 0.08 -0.33 2.88 0.11 -1.76 0.43 132.00 140.17 1f4j h PRO 487 Ca -0.17 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 1f4j h PRO 487 Cb 1.13 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1f4j h PRO 487 CO 0.10 0.05 0.20 -0.44 -0.21 0.00 0.00 178.00 177.70 1f4j h ASP 488 N 0.08 0.39 -0.05 -2.05 3.45 -1.91 -1.09 116.42 115.23 1f4j h ASP 488 Ca 0.68 -0.04 0.02 0.00 0.43 0.00 0.00 57.03 58.11 1f4j h ASP 488 Cb 1.55 -0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 40.18 1f4j h ASP 488 CO -0.79 0.32 -0.40 0.22 -1.57 0.00 0.00 179.24 177.02 1f4j h TYR 489 N 0.42 -1.18 -0.95 4.55 5.03 -0.42 0.14 116.97 124.57 1f4j h TYR 489 Ca 0.12 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.47 1f4j h TYR 489 Cb -0.00 0.52 -0.05 0.00 1.55 0.00 0.00 36.73 38.75 1f4j h TYR 489 CO -0.04 -0.41 0.58 0.78 -1.32 0.00 0.00 178.16 177.75 1f4j h GLY 490 N -0.46 1.36 1.19 1.82 0.00 -1.39 -2.84 103.07 102.75 1f4j h GLY 490 Ca 0.02 -0.55 -0.14 0.00 0.00 0.00 0.00 47.33 46.65 1f4j h GLY 490 CO -0.30 0.54 -0.29 1.48 0.00 0.00 0.00 176.54 177.97 1f4j h SER 491 N 1.30 0.95 0.02 0.19 4.64 -0.92 -1.01 113.55 118.72 1f4j h SER 491 Ca 0.34 -0.39 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1f4j h SER 491 Cb -0.08 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.73 1f4j h SER 491 CO -0.07 1.17 -0.16 -0.74 -0.87 0.00 0.00 176.83 176.16 1f4j h HIS 492 N 0.77 0.28 -0.01 4.77 6.17 -0.85 0.11 115.15 126.39 1f4j h HIS 492 Ca 0.09 -0.04 -0.07 0.00 0.71 0.00 0.00 60.37 61.06 1f4j h HIS 492 Cb 0.86 -0.08 0.01 0.00 2.52 0.00 0.00 27.41 30.71 1f4j h HIS 492 CO 0.05 0.42 -0.26 0.82 0.71 0.00 0.00 177.93 179.67 1f4j h ILE 493 N 0.25 1.52 -0.57 6.26 2.04 -1.31 -2.93 117.51 122.77 1f4j h ILE 493 Ca 0.05 -1.89 0.04 0.00 1.00 0.00 0.00 64.86 64.06 1f4j h ILE 493 Cb 0.43 2.67 -0.05 0.00 -0.74 0.00 0.00 36.82 39.14 1f4j h ILE 493 CO 0.03 0.52 0.31 -0.61 0.00 0.00 0.00 178.15 178.40 1f4j h GLN 494 N -0.43 0.58 -0.64 2.37 5.75 -0.98 0.33 115.11 122.10 1f4j h GLN 494 Ca -0.03 -0.04 0.13 0.00 -0.15 0.00 0.00 58.65 58.57 1f4j h GLN 494 Cb 0.99 -0.13 -0.10 0.00 1.07 0.00 0.00 27.48 29.31 1f4j h GLN 494 CO 0.05 0.39 0.07 0.00 -2.65 0.00 0.00 178.83 176.69 1f4j h ALA 495 N 1.29 0.71 0.02 3.38 0.00 -0.83 0.12 119.26 123.95 1f4j h ALA 495 Ca 0.25 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1f4j h ALA 495 Cb 0.12 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1f4j h ALA 495 CO -0.15 -0.36 -0.01 -0.07 0.00 0.00 0.00 179.25 178.66 1f4j h LEU 496 N 0.19 -0.03 -0.81 0.00 3.38 -0.96 -3.08 115.31 114.00 1f4j h LEU 496 Ca 0.34 -0.39 0.19 0.00 0.09 0.00 0.00 57.88 58.12 1f4j h LEU 496 Cb 0.55 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.18 1f4j h LEU 496 CO -0.49 0.38 0.24 -0.07 0.09 0.00 0.00 178.44 178.59 1f4j h LEU 497 N -0.44 0.08 0.04 1.67 3.38 0.47 -0.96 115.31 119.56 1f4j h LEU 497 Ca -0.00 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1f4j h LEU 497 Cb 0.41 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1f4j h LEU 497 CO 0.01 -0.06 -0.16 0.44 0.09 0.00 0.00 178.44 178.76 1f4j h ASP 498 N 0.29 -0.46 -0.43 -0.43 3.32 -0.95 0.32 116.42 118.08 1f4j h ASP 498 Ca 0.48 0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.67 1f4j h ASP 498 Cb 0.89 0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.56 1f4j h ASP 498 CO -0.55 -0.23 0.05 0.50 -1.72 0.00 0.00 179.24 177.29 1f4j h LYS 499 N -0.29 0.17 0.51 3.56 3.64 -1.13 0.29 116.57 123.31 1f4j h LYS 499 Ca 0.04 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1f4j h LYS 499 Cb 0.34 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1f4j h LYS 499 CO -0.12 0.11 -0.33 1.88 -2.27 0.00 0.00 179.45 178.72 1f4j h TYR 500 N 0.17 -0.86 -0.02 1.91 0.05 -0.70 0.11 116.97 117.62 1f4j h TYR 500 Ca 0.21 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.99 1f4j h TYR 500 Cb 0.28 0.31 -0.00 0.00 1.01 0.00 0.00 36.73 38.33 1f4j h TYR 500 CO -0.24 -0.49 0.06 -0.91 -1.05 0.00 0.00 178.16 175.53 1f4j h ASN 501 N -0.80 0.00 0.03 3.88 4.21 0.05 -2.10 115.58 120.85 1f4j h ASN 501 Ca -0.06 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.45 1f4j h ASN 501 Cb 0.66 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 1f4j h ASN 501 CO 0.05 0.00 -0.01 0.00 -1.29 0.00 0.00 177.43 176.18 1f4j h ALA 502 N 1.91 -0.04 -1.00 -0.83 0.00 0.26 -3.35 119.26 116.22 1f4j h ALA 502 Ca 0.01 -0.27 0.18 0.00 0.00 0.00 0.00 54.91 54.83 1f4j h ALA 502 Cb 0.12 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.75 1f4j h ALA 502 CO -0.00 -0.05 -0.30 0.93 0.00 0.00 0.00 179.25 179.82 1f4j h GLU 503 N -0.97 -0.00 0.00 0.00 5.08 -0.12 -3.51 114.58 115.06 1f4j h GLU 503 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f4j h GLU 503 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1f4j h GLU 503 CO 0.01 -0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65