#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g2j s ILE 13 N 0.00 3.01 0.14 1.69 -4.36 -1.26 -5.08 121.20 115.34 3g2j s ILE 13 Ca 0.00 -1.33 -0.21 0.00 -0.26 0.00 0.00 60.65 58.84 3g2j s ILE 13 Cb 0.00 -2.36 0.01 0.00 1.25 0.00 0.00 42.46 41.36 3g2j s ILE 13 CO 0.00 0.17 1.66 -1.28 0.24 0.00 0.00 174.94 175.73 3g2j h SER 14 N 3.93 -0.53 0.26 4.36 0.87 -1.96 -2.64 113.55 117.83 3g2j h SER 14 Ca -0.49 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 3g2j h SER 14 Cb 1.16 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 3g2j h SER 14 CO 0.48 -0.21 0.00 -0.37 -0.53 0.00 0.00 176.83 176.20 3g2j h VAL 15 N -0.17 0.00 0.00 2.23 -1.51 -1.95 -2.24 116.25 112.61 3g2j h VAL 15 Ca 0.12 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3g2j h VAL 15 Cb 0.35 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 3g2j h VAL 15 CO -0.31 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.57 3g2j n ARG 16 N -2.94 0.94 0.00 5.19 1.74 -0.99 -5.02 116.66 115.58 3g2j n ARG 16 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3g2j n ARG 16 Cb 0.12 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 3g2j n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g2j n GLY 17 N 0.88 -3.29 3.79 -0.13 0.00 -0.84 -1.39 105.19 104.21 3g2j n GLY 17 Ca 0.22 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 3g2j n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g2j s LEU 18 N 0.00 4.55 -0.89 0.99 1.43 -1.26 -4.63 118.68 118.87 3g2j s LEU 18 Ca 0.00 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 3g2j s LEU 18 Cb 0.00 -3.29 0.29 0.00 0.03 0.00 0.00 46.19 43.22 3g2j s LEU 18 CO 0.00 0.19 1.20 0.00 0.23 0.00 0.00 176.35 177.97 3g2j n ALA 19 N 1.48 4.78 -1.77 4.21 0.00 -1.26 -3.80 120.51 124.15 3g2j n ALA 19 Ca -0.06 -4.79 -0.39 0.00 0.00 0.00 0.00 53.44 48.21 3g2j n ALA 19 Cb 0.49 -1.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 3g2j n ALA 19 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3g2j s GLY 20 N -2.12 2.90 0.27 0.00 0.00 -1.26 -4.89 107.32 102.23 3g2j s GLY 20 Ca 0.35 1.12 -0.01 0.00 0.00 0.00 0.00 44.72 46.19 3g2j s GLY 20 CO 0.04 1.67 1.77 -0.24 0.00 0.00 0.00 173.10 176.34 3g2j h VAL 21 N 2.38 0.73 -0.21 1.40 3.04 -1.99 -1.37 116.25 120.24 3g2j h VAL 21 Ca -0.49 -0.22 -0.10 0.00 -1.01 0.00 0.00 66.70 64.88 3g2j h VAL 21 Cb 1.24 0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.56 3g2j h VAL 21 CO 0.62 0.12 -0.26 -0.08 -1.01 0.00 0.00 177.57 176.96 3g2j h GLU 22 N 0.64 0.55 -0.44 4.17 4.81 -1.99 -1.68 114.58 120.65 3g2j h GLU 22 Ca 0.47 -0.31 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 3g2j h GLU 22 Cb 0.66 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 3g2j h GLU 22 CO -0.36 0.91 0.01 -0.91 -0.73 0.00 0.00 179.01 177.92 3g2j h ASN 23 N 0.23 0.75 -0.68 1.04 2.35 -1.88 -0.78 115.58 116.61 3g2j h ASN 23 Ca 0.03 -0.30 0.02 0.00 -0.55 0.00 0.00 56.30 55.49 3g2j h ASN 23 Cb 0.83 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.96 3g2j h ASN 23 CO 0.06 0.87 0.44 0.58 -1.65 0.00 0.00 177.43 177.73 3g2j h VAL 24 N 0.61 1.12 -0.46 2.81 2.07 -1.25 0.13 116.25 121.27 3g2j h VAL 24 Ca 0.12 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3g2j h VAL 24 Cb 0.48 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3g2j h VAL 24 CO 0.02 0.16 0.19 0.74 0.02 0.00 0.00 177.57 178.70 3g2j h THR 25 N 0.87 1.20 -0.42 2.57 2.02 -1.18 -2.12 112.91 115.85 3g2j h THR 25 Ca 0.27 -0.61 -0.13 0.00 0.77 0.00 0.00 66.41 66.71 3g2j h THR 25 Cb -0.03 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3g2j h THR 25 CO -0.09 0.23 -0.24 -0.08 0.37 0.00 0.00 175.52 175.71 3g2j h GLU 26 N 0.61 0.86 -0.20 6.66 4.57 -0.74 -1.92 114.58 124.42 3g2j h GLU 26 Ca 0.16 -0.37 -0.00 0.00 -1.18 0.00 0.00 59.36 57.96 3g2j h GLU 26 Cb 0.18 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3g2j h GLU 26 CO -0.01 1.01 0.11 -0.07 -1.18 0.00 0.00 179.01 178.86 3g2j h LEU 27 N 0.74 0.26 -0.77 1.64 3.38 -0.65 -1.31 115.31 118.61 3g2j h LEU 27 Ca 0.10 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3g2j h LEU 27 Cb 0.78 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 3g2j h LEU 27 CO 0.06 0.27 0.48 0.11 0.09 0.00 0.00 178.44 179.46 3g2j h LYS 28 N 0.22 0.91 0.15 1.13 1.57 -1.34 0.19 116.57 119.39 3g2j h LYS 28 Ca 0.07 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3g2j h LYS 28 Cb 0.07 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3g2j h LYS 28 CO -0.01 0.60 -0.23 -0.22 -0.57 0.00 0.00 179.45 179.02 3g2j h LYS 29 N 0.93 -0.43 0.00 3.15 3.64 -1.12 -1.81 116.57 120.93 3g2j h LYS 29 Ca 0.31 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.63 3g2j h LYS 29 Cb 0.04 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3g2j h LYS 29 CO -0.12 -0.28 -0.45 -0.91 -2.27 0.00 0.00 179.45 175.41 3g2j h ASN 30 N -0.44 0.00 -0.10 4.20 2.35 -0.91 -1.42 115.58 119.25 3g2j h ASN 30 Ca 0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3g2j h ASN 30 Cb 0.45 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 3g2j h ASN 30 CO -0.10 0.45 0.05 0.15 -1.65 0.00 0.00 177.43 176.33 3g2j h PHE 31 N 0.00 0.14 -0.30 1.19 3.57 -0.46 -1.08 116.94 120.00 3g2j h PHE 31 Ca -0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 3g2j h PHE 31 Cb 0.94 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 3g2j h PHE 31 CO 0.00 0.17 -0.21 -0.91 -2.23 0.00 0.00 178.31 175.14 3g2j h ASN 32 N 0.06 0.56 0.03 0.41 2.35 -1.11 -1.03 115.58 116.84 3g2j h ASN 32 Ca 0.03 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 3g2j h ASN 32 Cb 0.08 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3g2j h ASN 32 CO -0.01 0.77 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.44 3g2j h ARG 33 N 0.50 -0.04 -0.61 0.81 2.43 -1.14 -2.12 114.38 114.21 3g2j h ARG 33 Ca 0.08 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 3g2j h ARG 33 Cb 0.63 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 3g2j h ARG 33 CO 0.05 0.04 0.08 0.45 -1.51 0.00 0.00 179.97 179.07 3g2j h HIS 34 N -0.10 1.07 -0.75 2.20 3.86 -1.05 0.46 115.15 120.84 3g2j h HIS 34 Ca -0.00 -0.15 0.02 0.00 -1.16 0.00 0.00 60.37 59.08 3g2j h HIS 34 Cb 0.09 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.23 3g2j h HIS 34 CO -0.06 0.91 0.50 1.25 0.86 0.00 0.00 177.93 181.39 3g2j h LEU 35 N 0.94 0.83 0.00 2.43 5.85 -1.13 0.85 115.31 125.09 3g2j h LEU 35 Ca 0.19 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3g2j h LEU 35 Cb 0.44 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3g2j h LEU 35 CO 0.01 0.59 -0.23 -0.74 -0.34 0.00 0.00 178.44 177.74 3g2j h HIS 36 N 0.98 0.00 0.19 1.25 2.76 -0.93 -1.86 115.15 117.54 3g2j h HIS 36 Ca 0.28 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 58.15 3g2j h HIS 36 Cb -0.05 0.00 0.02 0.00 1.55 0.00 0.00 27.41 28.93 3g2j h HIS 36 CO -0.00 0.00 -1.36 0.74 -1.30 0.00 0.00 177.93 176.02 3g2j h PHE 37 N -1.00 0.80 0.03 5.26 0.04 -0.17 -2.48 116.94 119.43 3g2j h PHE 37 Ca -0.00 -0.57 -0.19 0.00 2.80 0.00 0.00 57.97 60.01 3g2j h PHE 37 Cb 0.23 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 3g2j h PHE 37 CO -0.10 1.44 -1.02 1.15 -0.60 0.00 0.00 178.31 179.19 3g2j h THR 38 N 0.14 1.13 0.00 -1.55 2.02 -1.25 -3.37 112.91 110.03 3g2j h THR 38 Ca -0.20 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.71 3g2j h THR 38 Cb 2.06 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 71.06 3g2j h THR 38 CO 0.24 0.47 -0.65 -0.07 0.37 0.00 0.00 175.52 175.88 3g2j h LEU 39 N -0.83 0.00 -2.75 2.58 3.38 -0.99 -3.49 115.31 113.21 3g2j h LEU 39 Ca -0.26 -0.19 -0.35 0.00 0.09 0.00 0.00 57.88 57.18 3g2j h LEU 39 Cb 1.34 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.23 3g2j h LEU 39 CO -0.10 0.09 -0.89 0.52 0.09 0.00 0.00 178.44 178.15 3g2j n VAL 40 N -2.20 -7.35 -4.05 1.22 0.31 -0.93 -4.99 118.33 100.35 3g2j n VAL 40 Ca 0.03 -1.11 -0.13 0.00 -0.01 0.00 0.00 64.34 63.12 3g2j n VAL 40 Cb 0.45 -5.35 -0.12 0.00 -0.91 0.00 0.00 33.84 27.91 3g2j n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3g2j s LYS 41 N -5.23 0.41 0.35 5.55 -0.14 -0.71 -5.03 119.74 114.94 3g2j s LYS 41 Ca 0.43 -0.52 0.02 0.00 -1.36 0.00 0.00 55.97 54.54 3g2j s LYS 41 Cb -0.11 -0.21 -0.02 0.00 -1.68 0.00 0.00 37.83 35.81 3g2j s LYS 41 CO 0.80 0.04 0.54 0.16 -0.76 0.00 0.00 175.35 176.13 3g2j s ASP 42 N -1.06 6.18 0.00 2.83 1.47 -1.26 -4.00 116.67 120.83 3g2j s ASP 42 Ca -0.07 0.31 0.27 0.00 1.18 0.00 0.00 52.55 54.24 3g2j s ASP 42 Cb -0.07 -1.84 1.59 0.00 -0.34 0.00 0.00 42.92 42.26 3g2j s ASP 42 CO -0.00 -0.35 1.97 -2.11 0.68 0.00 0.00 175.17 175.36 3g2j n ARG 43 N -1.78 0.77 0.21 2.11 1.85 -1.26 -2.29 116.66 116.28 3g2j n ARG 43 Ca -0.04 0.01 0.10 0.00 -1.00 0.00 0.00 57.85 56.92 3g2j n ARG 43 Cb 0.57 -1.50 0.24 0.00 -1.05 0.00 0.00 32.46 30.72 3g2j n ARG 43 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 3g2j h ASN 44 N 0.00 0.00 0.00 2.89 2.35 -2.05 -3.34 115.58 115.43 3g2j h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3g2j h ASN 44 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3g2j h ASN 44 CO 0.00 0.16 -0.27 0.55 -1.65 0.00 0.00 177.43 176.22 3g2j n VAL 45 N -3.17 0.00 -1.91 2.81 3.14 -1.03 -5.04 118.33 113.13 3g2j n VAL 45 Ca 0.02 -0.38 -0.41 0.00 -2.96 0.00 0.00 64.34 60.61 3g2j n VAL 45 Cb 0.54 0.90 -0.01 0.00 -1.06 0.00 0.00 33.84 34.20 3g2j n VAL 45 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3g2j s ALA 46 N -1.35 3.62 0.37 1.55 0.00 -0.97 -5.01 121.76 119.97 3g2j s ALA 46 Ca 0.00 1.46 0.07 0.00 0.00 0.00 0.00 51.96 53.49 3g2j s ALA 46 Cb 0.01 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 3g2j s ALA 46 CO 0.07 -0.88 0.39 0.95 0.00 0.00 0.00 175.76 176.29 3g2j s THR 47 N -0.57 3.31 0.40 0.00 -4.23 -1.26 -4.98 115.64 108.30 3g2j s THR 47 Ca 0.56 -1.23 0.17 0.00 -1.18 0.00 0.00 61.69 60.01 3g2j s THR 47 Cb -0.44 -3.15 0.38 0.00 1.34 0.00 0.00 72.50 70.63 3g2j s THR 47 CO 0.53 -0.10 1.81 -0.65 -0.54 0.00 0.00 174.62 175.67 3g2j h PRO 48 N 1.02 0.43 -0.65 3.99 0.11 -1.99 -0.27 132.00 134.65 3g2j h PRO 48 Ca -0.43 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3g2j h PRO 48 Cb 1.26 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3g2j h PRO 48 CO 0.55 0.29 0.31 -0.09 -0.21 0.00 0.00 178.00 178.84 3g2j h ARG 49 N 0.44 0.94 -0.82 1.05 2.43 -1.96 0.27 114.38 116.74 3g2j h ARG 49 Ca 0.54 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.61 3g2j h ARG 49 Cb 1.30 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.63 3g2j h ARG 49 CO -0.25 0.76 0.52 -0.44 -1.51 0.00 0.00 179.97 179.04 3g2j h ASP 50 N 0.90 0.85 -0.18 -3.80 3.45 -1.48 -0.97 116.42 115.19 3g2j h ASP 50 Ca 0.22 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.66 3g2j h ASP 50 Cb 0.13 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 3g2j h ASP 50 CO -0.03 0.57 0.03 1.88 -1.57 0.00 0.00 179.24 180.13 3g2j h TYR 51 N 0.99 0.31 -0.53 4.55 0.05 -0.36 -0.61 116.97 121.37 3g2j h TYR 51 Ca 0.34 -0.04 0.11 0.00 0.05 0.00 0.00 58.73 59.18 3g2j h TYR 51 Cb 0.06 -0.08 -0.10 0.00 1.01 0.00 0.00 36.73 37.62 3g2j h TYR 51 CO -0.03 0.44 -0.09 -0.92 -1.05 0.00 0.00 178.16 176.51 3g2j h TYR 52 N 0.08 -0.20 -0.52 4.88 3.20 -0.26 -0.92 116.97 123.24 3g2j h TYR 52 Ca 0.05 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 3g2j h TYR 52 Cb 0.30 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 3g2j h TYR 52 CO 0.02 -0.20 -0.04 0.74 -1.64 0.00 0.00 178.16 177.03 3g2j h PHE 53 N 0.03 0.99 -0.64 -3.82 -1.00 -0.87 0.27 116.94 111.91 3g2j h PHE 53 Ca 0.26 -0.17 -0.03 0.00 2.81 0.00 0.00 57.97 60.84 3g2j h PHE 53 Cb 0.40 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.68 3g2j h PHE 53 CO -0.41 0.92 0.28 0.00 -1.61 0.00 0.00 178.31 177.49 3g2j h ALA 54 N 1.11 0.83 -0.10 2.45 0.00 -0.71 0.00 119.26 122.85 3g2j h ALA 54 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3g2j h ALA 54 Cb 0.56 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3g2j h ALA 54 CO 0.03 0.42 0.03 1.25 0.00 0.00 0.00 179.25 180.99 3g2j h LEU 55 N 0.89 0.14 -0.43 0.00 5.85 -0.76 -1.49 115.31 119.50 3g2j h LEU 55 Ca 0.22 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.84 3g2j h LEU 55 Cb 0.16 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 3g2j h LEU 55 CO -0.02 0.28 -0.03 0.00 -0.34 0.00 0.00 178.44 178.34 3g2j h ALA 56 N 0.86 0.38 -0.31 1.25 0.00 -0.24 -0.18 119.26 121.02 3g2j h ALA 56 Ca 0.03 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3g2j h ALA 56 Cb 0.19 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3g2j h ALA 56 CO -0.00 -0.41 -0.12 0.45 0.00 0.00 0.00 179.25 179.17 3g2j h HIS 57 N 0.08 0.56 -0.19 0.00 3.86 -0.94 -0.29 115.15 118.23 3g2j h HIS 57 Ca 0.21 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3g2j h HIS 57 Cb 0.32 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 3g2j h HIS 57 CO -0.31 0.63 0.06 1.15 0.86 0.00 0.00 177.93 180.32 3g2j h THR 58 N 0.48 1.18 -0.49 2.45 2.02 -0.30 -1.81 112.91 116.45 3g2j h THR 58 Ca 0.09 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.62 3g2j h THR 58 Cb 0.50 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 3g2j h THR 58 CO 0.03 0.18 0.02 0.58 0.37 0.00 0.00 175.52 176.70 3g2j h VAL 59 N 0.13 1.26 -0.76 3.16 2.07 -0.91 -2.84 116.25 118.36 3g2j h VAL 59 Ca 0.06 -1.04 0.08 0.00 0.82 0.00 0.00 66.70 66.61 3g2j h VAL 59 Cb 0.22 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3g2j h VAL 59 CO -0.00 0.37 0.50 -0.09 0.02 0.00 0.00 177.57 178.36 3g2j h ARG 60 N 0.71 0.73 -0.93 1.57 2.43 -0.95 -0.95 114.38 116.99 3g2j h ARG 60 Ca 0.14 -0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.40 3g2j h ARG 60 Cb 0.49 -0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 29.80 3g2j h ARG 60 CO 0.02 0.49 0.59 -0.44 -1.51 0.00 0.00 179.97 179.12 3g2j h ASP 61 N 0.76 0.75 0.86 -3.80 3.45 -1.07 -1.35 116.42 116.01 3g2j h ASP 61 Ca 0.33 0.05 -0.03 0.00 0.43 0.00 0.00 57.03 57.81 3g2j h ASP 61 Cb 0.32 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 38.99 3g2j h ASP 61 CO -0.12 0.38 -0.14 0.45 -1.57 0.00 0.00 179.24 178.24 3g2j h HIS 62 N 0.79 0.00 -0.09 4.55 3.86 -1.22 -3.15 115.15 119.89 3g2j h HIS 62 Ca 0.47 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.46 3g2j h HIS 62 Cb 0.66 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.14 3g2j h HIS 62 CO -0.00 0.14 -0.82 -0.07 0.86 0.00 0.00 177.93 178.05 3g2j h LEU 63 N 0.00 0.87 -0.90 2.43 3.38 -1.22 -3.40 115.31 116.47 3g2j h LEU 63 Ca -0.00 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.26 3g2j h LEU 63 Cb 0.61 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3g2j h LEU 63 CO 0.02 1.41 0.40 -0.37 0.09 0.00 0.00 178.44 179.99 3g2j h VAL 64 N 0.40 1.25 0.12 1.22 -1.51 -1.49 0.42 116.25 116.67 3g2j h VAL 64 Ca -0.08 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 3g2j h VAL 64 Cb 1.46 0.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.80 3g2j h VAL 64 CO 0.17 0.31 -0.12 1.23 -1.23 0.00 0.00 177.57 177.92 3g2j h GLY 65 N 1.19 -0.25 1.20 5.19 0.00 -1.76 0.15 103.07 108.78 3g2j h GLY 65 Ca 0.28 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.70 3g2j h GLY 65 CO -0.04 -0.13 0.19 3.21 0.00 0.00 0.00 176.54 179.78 3g2j h ARG 66 N -0.27 1.00 0.07 4.80 3.08 -1.48 -1.65 114.38 119.94 3g2j h ARG 66 Ca 0.00 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 3g2j h ARG 66 Cb 0.26 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3g2j h ARG 66 CO -0.03 0.87 -0.03 2.35 -1.07 0.00 0.00 179.97 182.05 3g2j h TRP 67 N 0.97 -0.09 -0.62 3.04 7.01 0.18 0.11 115.95 126.55 3g2j h TRP 67 Ca 0.21 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.21 3g2j h TRP 67 Cb 0.30 0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 3g2j h TRP 67 CO 0.02 0.05 0.37 0.82 -2.79 0.00 0.00 178.44 176.91 3g2j h ILE 68 N -0.21 1.18 -0.07 2.65 2.04 -0.64 -2.19 117.51 120.27 3g2j h ILE 68 Ca -0.01 -0.41 -0.17 0.00 1.00 0.00 0.00 64.86 65.27 3g2j h ILE 68 Cb 0.18 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3g2j h ILE 68 CO 0.02 0.19 -0.70 0.08 0.00 0.00 0.00 178.15 177.73 3g2j h ARG 69 N 0.84 0.34 0.17 2.37 0.11 -1.21 -0.33 114.38 116.68 3g2j h ARG 69 Ca 0.22 -0.27 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 3g2j h ARG 69 Cb -0.02 0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.11 3g2j h ARG 69 CO -0.04 0.91 -0.08 1.15 0.10 0.00 0.00 179.97 182.00 3g2j h THR 70 N 0.23 0.85 -0.16 0.08 2.02 -0.69 0.19 112.91 115.43 3g2j h THR 70 Ca -0.02 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 3g2j h THR 70 Cb 1.26 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 3g2j h THR 70 CO 0.12 0.02 -0.18 1.56 0.37 0.00 0.00 175.52 177.41 3g2j h GLN 71 N -0.28 0.27 -0.21 6.66 1.08 -1.36 -1.39 115.11 119.89 3g2j h GLN 71 Ca -0.02 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 3g2j h GLN 71 Cb 0.21 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 3g2j h GLN 71 CO 0.04 0.45 0.06 0.37 -0.95 0.00 0.00 178.83 178.80 3g2j h GLN 72 N 0.26 0.34 -0.78 1.46 5.75 -0.87 -2.65 115.11 118.61 3g2j h GLN 72 Ca 0.05 -0.08 0.10 0.00 -0.15 0.00 0.00 58.65 58.57 3g2j h GLN 72 Cb 0.47 -0.05 -0.08 0.00 1.07 0.00 0.00 27.48 28.90 3g2j h GLN 72 CO 0.03 0.45 0.42 1.25 -2.65 0.00 0.00 178.83 178.33 3g2j h HIS 73 N 0.16 0.75 -0.39 3.99 2.76 0.01 -1.24 115.15 121.19 3g2j h HIS 73 Ca 0.07 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.18 3g2j h HIS 73 Cb 0.26 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 3g2j h HIS 73 CO 0.01 0.27 -0.13 1.88 -1.30 0.00 0.00 177.93 178.66 3g2j h TYR 74 N 0.68 0.77 -0.63 5.26 0.05 -1.22 0.10 116.97 121.98 3g2j h TYR 74 Ca 0.39 -0.14 -0.06 0.00 0.05 0.00 0.00 58.73 58.97 3g2j h TYR 74 Cb 0.42 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 3g2j h TYR 74 CO -0.09 0.80 0.17 -0.92 -1.05 0.00 0.00 178.16 177.07 3g2j h TYR 75 N 0.64 1.05 -0.01 4.88 3.20 -0.99 -1.03 116.97 124.71 3g2j h TYR 75 Ca 0.11 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3g2j h TYR 75 Cb 0.59 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.56 3g2j h TYR 75 CO 0.03 0.87 -0.03 0.93 -1.64 0.00 0.00 178.16 178.32 3g2j h GLU 76 N 0.92 0.04 0.00 1.82 4.39 -0.94 -3.31 114.58 117.50 3g2j h GLU 76 Ca 0.20 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3g2j h GLU 76 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3g2j h GLU 76 CO -0.00 0.63 -0.19 1.63 -1.16 0.00 0.00 179.01 179.91 3g2j n LYS 77 N -4.76 0.10 -4.10 2.33 5.02 -0.01 -4.98 118.16 111.75 3g2j n LYS 77 Ca -0.09 0.06 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 3g2j n LYS 77 Cb 0.32 -1.59 -0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3g2j n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3g2j n ASP 78 N -1.75 -3.04 -4.79 4.39 2.03 -0.39 -4.95 116.55 108.05 3g2j n ASP 78 Ca 0.06 -1.24 -0.29 0.00 0.52 0.00 0.00 54.79 53.84 3g2j n ASP 78 Cb 0.37 -1.49 0.13 0.00 -0.72 0.00 0.00 41.12 39.41 3g2j n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3g2j s PRO 79 N -7.34 1.17 0.23 -0.67 0.04 -1.26 -4.97 135.00 122.19 3g2j s PRO 79 Ca 0.39 0.29 -0.31 0.00 0.04 0.00 0.00 61.00 61.40 3g2j s PRO 79 Cb -0.22 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 3g2j s PRO 79 CO 0.93 -2.18 1.64 0.21 0.04 0.00 0.00 177.00 177.64 3g2j s LYS 80 N -5.29 4.15 -0.08 4.56 2.20 -1.26 -4.93 119.74 119.08 3g2j s LYS 80 Ca 0.64 2.54 -0.10 0.00 -0.36 0.00 0.00 55.97 58.69 3g2j s LYS 80 Cb -0.15 -3.08 -0.05 0.00 -1.51 0.00 0.00 37.83 33.05 3g2j s LYS 80 CO 0.53 -0.67 0.23 1.03 -0.36 0.00 0.00 175.35 176.11 3g2j s ARG 81 N 0.63 3.65 -0.22 4.03 3.00 0.17 -4.54 118.95 125.67 3g2j s ARG 81 Ca 0.70 0.05 -0.07 0.00 0.00 0.00 0.00 55.73 56.42 3g2j s ARG 81 Cb -0.48 -3.22 -0.03 0.00 0.00 0.00 0.00 34.95 31.23 3g2j s ARG 81 CO 0.37 0.71 0.05 0.42 0.00 0.00 0.00 175.30 176.85 3g2j s ILE 82 N -0.94 4.31 -0.33 1.52 -1.09 -0.26 -0.33 121.20 124.08 3g2j s ILE 82 Ca 0.18 -0.18 -0.05 0.00 -2.23 0.00 0.00 60.65 58.37 3g2j s ILE 82 Cb -0.14 -2.99 0.05 0.00 -1.58 0.00 0.00 42.46 37.81 3g2j s ILE 82 CO 0.07 0.38 0.08 -0.31 -1.23 0.00 0.00 174.94 173.93 3g2j s TYR 83 N 1.22 3.28 -0.51 3.97 2.02 0.12 -0.50 117.35 126.95 3g2j s TYR 83 Ca 0.04 -1.64 -0.18 0.00 -0.37 0.00 0.00 57.07 54.92 3g2j s TYR 83 Cb -0.14 -2.29 0.07 0.00 -0.40 0.00 0.00 41.96 39.19 3g2j s TYR 83 CO 0.03 -0.77 0.59 -0.47 -1.57 0.00 0.00 175.55 173.36 3g2j s TYR 84 N 1.34 3.08 -0.26 2.71 5.04 -0.29 -0.06 117.35 128.91 3g2j s TYR 84 Ca -0.02 -0.67 -0.16 0.00 -2.44 0.00 0.00 57.07 53.78 3g2j s TYR 84 Cb -0.20 -3.54 -0.03 0.00 0.35 0.00 0.00 41.96 38.54 3g2j s TYR 84 CO 0.01 -1.02 0.42 -0.51 -1.34 0.00 0.00 175.55 173.11 3g2j s LEU 85 N 2.45 4.05 -0.04 6.97 1.02 -0.37 -1.21 118.68 131.54 3g2j s LEU 85 Ca 0.12 0.38 -0.09 0.00 0.02 0.00 0.00 54.13 54.56 3g2j s LEU 85 Cb -0.21 -2.51 0.01 0.00 0.02 0.00 0.00 46.19 43.51 3g2j s LEU 85 CO 0.10 -0.21 0.21 -0.55 0.02 0.00 0.00 176.35 175.92 3g2j s SER 86 N 1.57 -0.13 0.00 2.29 0.15 -0.84 -1.43 113.70 115.32 3g2j s SER 86 Ca 0.17 0.14 0.28 0.00 0.70 0.00 0.00 55.95 57.24 3g2j s SER 86 Cb -0.16 0.34 1.08 0.00 -1.71 0.00 0.00 66.02 65.57 3g2j s SER 86 CO 0.10 -0.25 1.78 0.18 1.20 0.00 0.00 173.24 176.24 3g2j n LEU 87 N 2.10 0.39 -3.91 3.45 4.32 -1.26 -4.07 117.00 118.02 3g2j n LEU 87 Ca -0.18 0.10 -0.19 0.00 -0.02 0.00 0.00 56.01 55.73 3g2j n LEU 87 Cb 0.57 -0.26 -0.16 0.00 -1.62 0.00 0.00 43.42 41.95 3g2j n LEU 87 CO 0.20 0.08 -0.40 -1.61 -1.22 0.00 0.00 177.39 174.44 3g2j s GLU 88 N -2.69 0.68 -0.26 3.23 2.02 -1.26 -4.63 118.70 115.79 3g2j s GLU 88 Ca 0.22 -0.11 -0.03 0.00 0.02 0.00 0.00 54.97 55.07 3g2j s GLU 88 Cb 0.19 -0.70 0.08 0.00 0.10 0.00 0.00 34.13 33.81 3g2j s GLU 88 CO 0.53 -0.03 0.09 -0.06 0.02 0.00 0.00 175.26 175.81 3g2j s PHE 89 N 0.65 0.97 -1.17 1.61 0.40 0.08 -4.62 117.98 115.90 3g2j s PHE 89 Ca -0.08 -1.10 -0.12 0.00 -0.60 0.00 0.00 56.93 55.03 3g2j s PHE 89 Cb -0.11 -1.18 0.22 0.00 0.51 0.00 0.00 43.02 42.45 3g2j s PHE 89 CO -0.00 -0.75 1.29 -0.47 0.70 0.00 0.00 175.22 175.99 3g2j s TYR 90 N 1.87 3.84 0.13 0.36 6.14 0.05 -3.51 117.35 126.24 3g2j s TYR 90 Ca 0.06 -2.38 -0.03 0.00 0.64 0.00 0.00 57.07 55.35 3g2j s TYR 90 Cb -0.17 -4.11 -0.11 0.00 0.42 0.00 0.00 41.96 37.99 3g2j s TYR 90 CO -0.22 -1.20 1.29 0.52 0.64 0.00 0.00 175.55 176.58 3g2j h MET 91 N 6.94 0.35 0.00 4.97 2.86 -1.78 -3.41 114.93 124.86 3g2j h MET 91 Ca 0.26 -0.41 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3g2j h MET 91 Cb 0.87 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.66 3g2j h MET 91 CO 1.14 1.10 0.00 0.41 1.06 0.00 0.00 176.91 180.62 3g2j n GLY 92 N 1.04 -0.02 3.84 8.32 0.00 -0.76 -4.81 105.19 112.80 3g2j n GLY 92 Ca -0.06 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 3g2j n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g2j s ARG 93 N 0.00 3.82 -0.03 1.61 0.52 -1.26 -1.42 118.95 122.19 3g2j s ARG 93 Ca 0.00 0.99 0.05 0.00 -0.52 0.00 0.00 55.73 56.25 3g2j s ARG 93 Cb 0.00 -2.11 -0.08 0.00 0.52 0.00 0.00 34.95 33.28 3g2j s ARG 93 CO 0.00 -0.38 0.07 2.41 0.02 0.00 0.00 175.30 177.42 3g2j n THR 94 N -1.71 0.16 0.48 0.02 -1.04 -1.26 -4.67 114.28 106.26 3g2j n THR 94 Ca 0.07 -0.17 -0.19 0.00 -2.04 0.00 0.00 64.05 61.72 3g2j n THR 94 Cb 0.54 -0.20 -0.09 0.00 -1.82 0.00 0.00 70.33 68.76 3g2j n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3g2j h LEU 95 N 0.00 -1.09 -0.93 -4.42 5.85 -1.97 -0.53 115.31 112.22 3g2j h LEU 95 Ca -0.06 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3g2j h LEU 95 Cb 0.74 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 3g2j h LEU 95 CO 0.00 -0.75 0.54 -0.61 -0.34 0.00 0.00 178.44 177.28 3g2j h GLN 96 N -1.24 1.27 -0.89 1.25 4.15 -1.97 -1.39 115.11 116.30 3g2j h GLN 96 Ca -0.12 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.17 3g2j h GLN 96 Cb 0.96 -0.26 -0.04 0.00 0.21 0.00 0.00 27.48 28.34 3g2j h GLN 96 CO 0.19 0.90 0.57 -0.97 -1.93 0.00 0.00 178.83 177.59 3g2j h ASN 97 N 1.29 1.04 -0.37 -0.69 -0.73 -1.80 0.43 115.58 114.75 3g2j h ASN 97 Ca 0.33 -0.04 -0.07 0.00 1.87 0.00 0.00 56.30 58.39 3g2j h ASN 97 Cb -0.03 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.29 3g2j h ASN 97 CO -0.06 0.77 -0.03 0.74 -0.37 0.00 0.00 177.43 178.48 3g2j h THR 98 N 1.22 1.27 -0.11 -3.57 2.02 -0.63 -1.82 112.91 111.28 3g2j h THR 98 Ca 0.32 -1.06 0.01 0.00 0.77 0.00 0.00 66.41 66.46 3g2j h THR 98 Cb -0.11 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3g2j h THR 98 CO -0.07 0.35 0.02 0.24 0.37 0.00 0.00 175.52 176.44 3g2j h MET 99 N 0.48 0.07 -0.31 6.66 2.86 -0.89 -1.37 114.93 122.43 3g2j h MET 99 Ca 0.10 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.80 3g2j h MET 99 Cb 0.52 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.11 3g2j h MET 99 CO 0.03 0.04 -0.06 0.28 1.06 0.00 0.00 176.91 178.26 3g2j h VAL 100 N 0.07 0.71 0.00 -2.22 2.07 -0.87 0.15 116.25 116.16 3g2j h VAL 100 Ca 0.05 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3g2j h VAL 100 Cb 0.04 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3g2j h VAL 100 CO -0.06 0.00 -0.10 0.78 0.02 0.00 0.00 177.57 178.21 3g2j h ASN 101 N 0.02 0.00 -0.02 0.57 4.21 -1.15 -2.76 115.58 116.45 3g2j h ASN 101 Ca 0.15 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.66 3g2j h ASN 101 Cb 0.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 3g2j h ASN 101 CO -0.31 0.10 -0.19 0.18 -1.29 0.00 0.00 177.43 175.92 3g2j n LEU 102 N -3.20 2.57 -3.11 1.61 4.32 -0.53 -0.38 117.00 118.28 3g2j n LEU 102 Ca 0.01 -0.89 -0.20 0.00 -0.02 0.00 0.00 56.01 54.91 3g2j n LEU 102 Cb 0.40 -0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.27 3g2j n LEU 102 CO 0.31 0.44 0.21 0.00 -1.22 0.00 0.00 177.39 177.13 3g2j n ALA 103 N 0.77 -1.10 0.46 -1.18 0.00 0.07 -4.93 120.51 114.59 3g2j n ALA 103 Ca 0.12 0.34 0.05 0.00 0.00 0.00 0.00 53.44 53.96 3g2j n ALA 103 Cb 0.54 -4.74 0.00 0.00 0.00 0.00 0.00 19.45 15.25 3g2j n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3g2j n LEU 104 N -4.30 1.30 -0.13 0.00 4.77 0.30 -4.47 117.00 114.46 3g2j n LEU 104 Ca 0.01 -0.79 -0.07 0.00 -0.03 0.00 0.00 56.01 55.13 3g2j n LEU 104 Cb 0.55 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.66 3g2j n LEU 104 CO 0.55 0.26 1.02 -0.08 -1.33 0.00 0.00 177.39 177.81 3g2j h GLU 105 N 1.24 0.48 -0.26 3.23 4.81 -1.61 0.11 114.58 122.58 3g2j h GLU 105 Ca 0.00 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 3g2j h GLU 105 Cb 0.36 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3g2j h GLU 105 CO 0.00 0.32 -0.22 -0.91 -0.73 0.00 0.00 179.01 177.47 3g2j h ASN 106 N 0.49 0.65 -0.13 1.04 2.35 -1.49 -0.60 115.58 117.89 3g2j h ASN 106 Ca 0.17 -0.45 0.02 0.00 -0.55 0.00 0.00 56.30 55.48 3g2j h ASN 106 Cb 0.02 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 3g2j h ASN 106 CO -0.08 0.97 0.01 0.00 -1.65 0.00 0.00 177.43 176.68 3g2j h ALA 107 N 0.70 0.12 -0.70 -0.83 0.00 -1.59 0.21 119.26 117.17 3g2j h ALA 107 Ca 0.05 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3g2j h ALA 107 Cb 0.76 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3g2j h ALA 107 CO 0.06 -0.44 0.25 0.00 0.00 0.00 0.00 179.25 179.12 3g2j h ASP 109 N 1.03 0.68 -0.15 0.00 3.58 -0.61 -0.57 116.42 120.38 3g2j h ASP 109 Ca 0.23 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 3g2j h ASP 109 Cb 0.25 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 3g2j h ASP 109 CO -0.01 0.57 0.01 -0.08 -2.88 0.00 0.00 179.24 176.84 3g2j h GLU 110 N 0.75 0.27 -0.61 0.28 4.57 -0.28 -1.48 114.58 118.07 3g2j h GLU 110 Ca 0.20 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.31 3g2j h GLU 110 Cb 0.02 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 3g2j h GLU 110 CO -0.03 0.48 0.40 0.00 -1.18 0.00 0.00 179.01 178.67 3g2j h ALA 111 N 0.78 0.78 -0.16 2.92 0.00 -0.44 -1.18 119.26 121.95 3g2j h ALA 111 Ca 0.04 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 3g2j h ALA 111 Cb 0.35 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3g2j h ALA 111 CO 0.01 0.18 -0.71 1.79 0.00 0.00 0.00 179.25 180.52 3g2j h THR 112 N 0.80 1.30 -0.71 0.00 1.35 -1.13 -2.33 112.91 112.20 3g2j h THR 112 Ca 0.23 -1.95 0.05 0.00 -0.55 0.00 0.00 66.41 64.20 3g2j h THR 112 Cb -0.06 1.92 -0.05 0.00 -1.73 0.00 0.00 68.15 68.23 3g2j h THR 112 CO -0.07 0.61 0.42 0.22 -0.25 0.00 0.00 175.52 176.45 3g2j h TYR 113 N 0.50 0.77 0.00 4.73 3.20 -1.08 0.42 116.97 125.51 3g2j h TYR 113 Ca -0.03 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 3g2j h TYR 113 Cb 1.31 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 3g2j h TYR 113 CO 0.07 0.39 -0.30 1.96 -1.64 0.00 0.00 178.16 178.65 3g2j h GLN 114 N 0.78 0.00 -0.00 1.82 4.20 -1.11 0.38 115.11 121.17 3g2j h GLN 114 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3g2j h GLN 114 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3g2j h GLN 114 CO -0.16 0.30 -0.01 1.28 -0.67 0.00 0.00 178.83 179.57 3g2j n LEU 115 N -3.80 0.32 -0.26 1.46 4.32 -0.86 -4.92 117.00 113.25 3g2j n LEU 115 Ca -0.01 -0.06 -0.00 0.00 -0.02 0.00 0.00 56.01 55.91 3g2j n LEU 115 Cb 0.39 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.15 3g2j n LEU 115 CO 0.36 0.05 -0.00 0.61 -1.22 0.00 0.00 177.39 177.19 3g2j n GLY 116 N 1.08 0.58 3.29 -0.72 0.00 0.12 -5.06 105.19 104.48 3g2j n GLY 116 Ca 0.21 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 3g2j n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g2j s LEU 117 N -0.54 2.30 -0.37 0.99 1.43 0.14 -4.98 118.68 117.64 3g2j s LEU 117 Ca 0.01 -0.68 -0.14 0.00 -1.03 0.00 0.00 54.13 52.28 3g2j s LEU 117 Cb -0.00 -0.90 -0.00 0.00 0.03 0.00 0.00 46.19 45.32 3g2j s LEU 117 CO 0.01 0.06 0.28 -0.62 0.23 0.00 0.00 176.35 176.31 3g2j s ASP 118 N -1.89 6.09 0.29 2.29 3.68 -1.26 -2.95 116.67 122.92 3g2j s ASP 118 Ca 0.07 -0.60 -0.02 0.00 2.13 0.00 0.00 52.55 54.13 3g2j s ASP 118 Cb -0.10 -2.15 0.41 0.00 -1.45 0.00 0.00 42.92 39.63 3g2j s ASP 118 CO 0.04 -0.33 1.89 -0.03 0.13 0.00 0.00 175.17 176.87 3g2j h MET 119 N 8.55 0.97 -0.70 4.34 1.85 -1.92 -2.36 114.93 125.67 3g2j h MET 119 Ca -0.29 -0.13 0.08 0.00 -0.61 0.00 0.00 59.70 58.75 3g2j h MET 119 Cb 1.14 -0.18 -0.07 0.00 0.43 0.00 0.00 31.60 32.92 3g2j h MET 119 CO 0.68 0.74 0.36 0.93 -0.40 0.00 0.00 176.91 179.22 3g2j h GLU 120 N 0.96 0.61 -0.65 0.39 5.08 -1.99 0.22 114.58 119.20 3g2j h GLU 120 Ca 0.24 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3g2j h GLU 120 Cb 0.09 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3g2j h GLU 120 CO -0.03 0.40 0.23 1.49 -1.00 0.00 0.00 179.01 180.10 3g2j h GLU 121 N 0.63 1.00 -0.27 2.33 4.81 -1.87 -2.43 114.58 118.77 3g2j h GLU 121 Ca 0.33 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 3g2j h GLU 121 Cb 0.30 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3g2j h GLU 121 CO -0.24 0.86 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.68 3g2j h LEU 122 N 0.93 0.45 -0.99 1.64 4.07 -0.95 -2.93 115.31 117.53 3g2j h LEU 122 Ca 0.21 -0.12 -0.08 0.00 0.08 0.00 0.00 57.88 57.98 3g2j h LEU 122 Cb 0.26 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 3g2j h LEU 122 CO -0.01 0.62 -0.08 -0.33 -1.08 0.00 0.00 178.44 177.56 3g2j h GLU 123 N 0.43 0.63 0.00 1.13 5.08 -0.59 -2.70 114.58 118.56 3g2j h GLU 123 Ca 0.08 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3g2j h GLU 123 Cb 0.51 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3g2j h GLU 123 CO 0.03 0.71 0.00 0.39 -1.00 0.00 0.00 179.01 179.14 3g2j n GLU 124 N -4.20 0.01 0.04 2.33 -0.58 -0.95 -2.59 120.64 114.70 3g2j n GLU 124 Ca 0.01 0.37 -0.04 0.00 -0.42 0.00 0.00 57.16 57.07 3g2j n GLU 124 Cb 0.32 -1.52 -0.10 0.00 -0.57 0.00 0.00 31.44 29.58 3g2j n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3g2j h ILE 125 N 0.00 1.02 -2.78 -3.67 2.04 -1.56 -3.46 117.51 109.10 3g2j h ILE 125 Ca 0.00 -2.67 -0.53 0.00 1.00 0.00 0.00 64.86 62.66 3g2j h ILE 125 Cb 0.15 2.45 0.04 0.00 -0.74 0.00 0.00 36.82 38.72 3g2j h ILE 125 CO 0.00 0.58 0.91 -0.70 0.00 0.00 0.00 178.15 178.94 3g2j s GLU 126 N -2.76 4.20 0.30 2.37 2.12 -1.07 -4.98 118.70 118.89 3g2j s GLU 126 Ca -0.01 2.38 -0.29 0.00 0.36 0.00 0.00 54.97 57.41 3g2j s GLU 126 Cb 0.09 -3.23 -0.10 0.00 0.26 0.00 0.00 34.13 31.15 3g2j s GLU 126 CO 0.81 -0.64 1.15 -1.21 -0.54 0.00 0.00 175.26 174.83 3g2j s GLU 127 N 1.42 4.52 0.29 4.30 0.41 -1.26 -4.94 118.70 123.44 3g2j s GLU 127 Ca 0.71 1.90 -0.30 0.00 -0.41 0.00 0.00 54.97 56.87 3g2j s GLU 127 Cb -0.44 -3.11 -0.11 0.00 -1.78 0.00 0.00 34.13 28.69 3g2j s GLU 127 CO 0.32 0.07 1.56 -0.51 -0.49 0.00 0.00 175.26 176.21 3g2j s ASP 128 N -0.82 6.43 -0.79 -0.19 1.11 -1.26 -4.55 116.67 116.60 3g2j s ASP 128 Ca 0.47 2.90 -0.26 0.00 0.18 0.00 0.00 52.55 55.84 3g2j s ASP 128 Cb -0.33 -2.63 0.01 0.00 1.07 0.00 0.00 42.92 41.03 3g2j s ASP 128 CO 0.43 -0.87 1.55 0.00 1.18 0.00 0.00 175.17 177.46 3g2j s ALA 129 N -0.02 2.45 -0.70 5.23 0.00 -0.51 -4.88 121.76 123.34 3g2j s ALA 129 Ca 0.62 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 3g2j s ALA 129 Cb -0.47 -4.37 0.25 0.00 0.00 0.00 0.00 23.12 18.54 3g2j s ALA 129 CO 0.47 -3.71 2.28 0.41 0.00 0.00 0.00 175.76 175.21 3g2j n GLY 130 N 5.97 5.11 1.71 0.00 0.00 -1.26 -1.83 105.19 114.88 3g2j n GLY 130 Ca 0.18 -2.25 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 3g2j n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g2j n LEU 131 N -0.06 5.75 -3.68 0.99 4.77 -1.23 -0.51 117.00 123.04 3g2j n LEU 131 Ca 0.52 -2.88 -0.09 0.00 -0.03 0.00 0.00 56.01 53.53 3g2j n LEU 131 Cb 0.36 -0.97 -0.02 0.00 -2.33 0.00 0.00 43.42 40.46 3g2j n LEU 131 CO 0.46 1.06 0.42 -0.83 -1.33 0.00 0.00 177.39 177.17 3g2j s GLY 132 N 0.54 -0.29 -0.11 -0.72 0.00 -1.26 -0.74 107.32 104.73 3g2j s GLY 132 Ca 0.22 0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.98 3g2j s GLY 132 CO 0.01 -0.01 0.39 0.70 0.00 0.00 0.00 173.10 174.18 3g2j n ASN 133 N -0.42 1.46 0.00 1.64 3.02 -1.26 -4.43 115.26 115.27 3g2j n ASN 133 Ca -0.10 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 3g2j n ASN 133 Cb 0.62 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 3g2j n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g2j n GLY 134 N 1.84 -0.28 0.18 7.41 0.00 -1.26 -4.92 105.19 108.15 3g2j n GLY 134 Ca -0.28 0.46 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 3g2j n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3g2j h GLY 135 N 0.00 0.57 0.94 -0.02 0.00 -1.98 0.27 103.07 102.85 3g2j h GLY 135 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 3g2j h GLY 135 CO 0.00 0.14 0.14 -2.00 0.00 0.00 0.00 176.54 174.82 3g2j h LEU 136 N 0.46 0.57 -0.73 3.11 6.46 -1.98 0.59 115.31 123.79 3g2j h LEU 136 Ca 0.17 -0.19 -0.09 0.00 -0.12 0.00 0.00 57.88 57.64 3g2j h LEU 136 Cb 0.03 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 3g2j h LEU 136 CO -0.09 0.61 -0.04 1.23 -0.62 0.00 0.00 178.44 179.52 3g2j h GLY 137 N 0.50 1.00 1.76 3.75 0.00 -1.70 -2.64 103.07 105.75 3g2j h GLY 137 Ca 0.13 -0.74 -0.18 0.00 0.00 0.00 0.00 47.33 46.55 3g2j h GLY 137 CO -0.01 0.68 -0.77 -0.09 0.00 0.00 0.00 176.54 176.35 3g2j h ARG 138 N 0.85 0.23 -0.67 4.80 9.65 -0.83 0.27 114.38 128.66 3g2j h ARG 138 Ca 0.15 -0.21 0.01 0.00 -1.10 0.00 0.00 59.98 58.84 3g2j h ARG 138 Cb 0.56 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.15 3g2j h ARG 138 CO 0.03 0.89 0.44 1.25 2.80 0.00 0.00 179.97 185.38 3g2j h LEU 139 N 0.15 0.74 -0.77 3.80 5.85 -0.72 0.24 115.31 124.60 3g2j h LEU 139 Ca -0.03 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.71 3g2j h LEU 139 Cb 1.35 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3g2j h LEU 139 CO 0.12 0.53 0.49 0.00 -0.34 0.00 0.00 178.44 179.24 3g2j h ALA 140 N 1.26 1.01 -0.37 1.25 0.00 -1.31 0.85 119.26 121.96 3g2j h ALA 140 Ca 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3g2j h ALA 140 Cb -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3g2j h ALA 140 CO -0.07 0.29 0.04 0.00 0.00 0.00 0.00 179.25 179.51 3g2j h ALA 141 N 1.33 0.50 -0.63 0.00 0.00 -1.00 -1.26 119.26 118.19 3g2j h ALA 141 Ca 0.31 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3g2j h ALA 141 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3g2j h ALA 141 CO -0.12 0.22 0.23 0.00 0.00 0.00 0.00 179.25 179.59 3g2j h PHE 143 N 0.89 0.80 -0.35 0.00 -1.00 -0.67 -0.86 116.94 115.74 3g2j h PHE 143 Ca 0.21 0.02 0.01 0.00 2.81 0.00 0.00 57.97 61.02 3g2j h PHE 143 Cb 0.23 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 3g2j h PHE 143 CO 0.01 0.48 0.20 -0.07 -1.61 0.00 0.00 178.31 177.33 3g2j h LEU 144 N 0.85 0.33 -0.29 1.54 3.38 -1.05 0.82 115.31 120.89 3g2j h LEU 144 Ca 0.25 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.25 3g2j h LEU 144 Cb -0.06 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3g2j h LEU 144 CO -0.07 0.24 0.09 -0.78 0.09 0.00 0.00 178.44 178.00 3g2j h ASP 145 N 0.42 0.08 -0.34 -0.43 3.58 -1.22 -1.87 116.42 116.64 3g2j h ASP 145 Ca 0.14 0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.54 3g2j h ASP 145 Cb 0.00 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 3g2j h ASP 145 CO -0.07 0.08 -0.08 0.28 -2.88 0.00 0.00 179.24 176.57 3g2j h SER 146 N 0.21 0.74 -0.62 2.28 0.02 -0.88 -0.95 113.55 114.35 3g2j h SER 146 Ca 0.13 -0.21 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 3g2j h SER 146 Cb 0.11 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3g2j h SER 146 CO -0.15 0.86 0.07 0.24 -1.14 0.00 0.00 176.83 176.72 3g2j h MET 147 N 0.69 1.06 -0.20 3.45 2.86 -0.47 0.10 114.93 122.42 3g2j h MET 147 Ca 0.12 -0.29 -0.11 0.00 -2.06 0.00 0.00 59.70 57.37 3g2j h MET 147 Cb 0.55 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 3g2j h MET 147 CO 0.03 0.99 -0.29 0.00 1.06 0.00 0.00 176.91 178.70 3g2j h ALA 148 N 1.09 0.30 -0.34 6.32 0.00 -1.19 -0.76 119.26 124.68 3g2j h ALA 148 Ca 0.19 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3g2j h ALA 148 Cb 0.46 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3g2j h ALA 148 CO 0.02 0.31 0.23 1.15 0.00 0.00 0.00 179.25 180.96 3g2j h THR 149 N 0.21 1.01 -0.55 0.00 2.02 -1.03 -1.66 112.91 112.92 3g2j h THR 149 Ca 0.02 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3g2j h THR 149 Cb 0.86 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3g2j h THR 149 CO 0.07 0.06 0.00 0.18 0.37 0.00 0.00 175.52 176.20 3g2j n LEU 150 N -4.49 3.65 -2.53 2.58 4.77 0.01 -4.67 117.00 116.32 3g2j n LEU 150 Ca 0.03 -1.83 -0.20 0.00 -0.03 0.00 0.00 56.01 53.97 3g2j n LEU 150 Cb 0.16 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 3g2j n LEU 150 CO 0.35 0.71 -0.13 0.61 -1.33 0.00 0.00 177.39 177.60 3g2j n GLY 151 N 1.14 -0.44 3.82 -0.72 0.00 -0.63 0.06 105.19 108.43 3g2j n GLY 151 Ca 0.20 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 3g2j n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g2j s LEU 152 N -5.96 4.36 -1.21 0.99 1.43 -0.33 -4.69 118.68 113.28 3g2j s LEU 152 Ca 0.14 1.28 -0.19 0.00 -1.03 0.00 0.00 54.13 54.34 3g2j s LEU 152 Cb -0.06 -3.40 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 3g2j s LEU 152 CO 0.17 0.08 1.96 0.00 0.23 0.00 0.00 176.35 178.80 3g2j n ALA 153 N 0.86 3.76 -2.50 4.21 0.00 -1.26 -4.66 120.51 120.93 3g2j n ALA 153 Ca -0.04 -3.58 -0.31 0.00 0.00 0.00 0.00 53.44 49.51 3g2j n ALA 153 Cb 0.51 -3.57 -0.12 0.00 0.00 0.00 0.00 19.45 16.27 3g2j n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g2j s ALA 154 N 5.41 2.71 -0.09 0.00 0.00 -1.26 -1.11 121.76 127.43 3g2j s ALA 154 Ca 0.55 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3g2j s ALA 154 Cb 0.08 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.38 3g2j s ALA 154 CO 0.05 0.58 -0.08 0.71 0.00 0.00 0.00 175.76 177.02 3g2j s TYR 155 N -0.95 1.36 -0.06 0.00 2.02 0.34 -3.98 117.35 116.08 3g2j s TYR 155 Ca 0.15 -0.60 -0.26 0.00 -0.37 0.00 0.00 57.07 55.99 3g2j s TYR 155 Cb -0.11 -1.11 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 3g2j s TYR 155 CO 0.06 -0.41 0.83 0.20 -1.57 0.00 0.00 175.55 174.66 3g2j s GLY 156 N 1.36 2.65 -0.11 0.71 0.00 -0.81 -1.13 107.32 109.98 3g2j s GLY 156 Ca -0.02 0.28 0.03 0.00 0.00 0.00 0.00 44.72 45.00 3g2j s GLY 156 CO -0.04 1.45 -0.19 -0.19 0.00 0.00 0.00 173.10 174.13 3g2j s TYR 157 N 1.09 2.23 0.00 1.90 2.02 -0.35 0.30 117.35 124.55 3g2j s TYR 157 Ca 0.43 -1.00 0.00 0.00 -0.37 0.00 0.00 57.07 56.13 3g2j s TYR 157 Cb -0.19 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 3g2j s TYR 157 CO 0.21 -0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.14 3g2j n GLY 158 N 3.91 3.43 3.34 0.71 0.00 -0.88 -1.98 105.19 113.72 3g2j n GLY 158 Ca -0.20 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 3g2j n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g2j s ILE 159 N -1.45 2.49 -0.93 -0.61 1.01 -1.26 -1.03 121.20 119.42 3g2j s ILE 159 Ca 0.00 -0.90 -0.21 0.00 0.00 0.00 0.00 60.65 59.54 3g2j s ILE 159 Cb 0.00 -1.96 0.10 0.00 0.01 0.00 0.00 42.46 40.61 3g2j s ILE 159 CO 0.00 0.57 1.22 -0.60 0.00 0.00 0.00 174.94 176.13 3g2j s ARG 160 N -0.18 3.55 0.14 2.79 3.52 -0.01 -4.74 118.95 124.02 3g2j s ARG 160 Ca -0.02 -1.46 -0.30 0.00 -0.13 0.00 0.00 55.73 53.82 3g2j s ARG 160 Cb -0.14 -4.99 -0.07 0.00 -1.56 0.00 0.00 34.95 28.19 3g2j s ARG 160 CO 0.03 -1.92 1.21 0.71 -0.81 0.00 0.00 175.30 174.52 3g2j s TYR 161 N 3.57 3.42 0.30 5.12 2.02 -1.26 -4.73 117.35 125.80 3g2j s TYR 161 Ca 0.36 1.36 0.02 0.00 -0.37 0.00 0.00 57.07 58.44 3g2j s TYR 161 Cb -0.04 -3.44 0.46 0.00 -0.40 0.00 0.00 41.96 38.54 3g2j s TYR 161 CO -0.08 -1.28 1.79 1.49 -1.57 0.00 0.00 175.55 175.90 3g2j h GLU 162 N 5.80 0.57 -4.76 -0.62 4.81 -0.63 -3.40 114.58 116.34 3g2j h GLU 162 Ca -0.43 -0.16 -0.61 0.00 -0.13 0.00 0.00 59.36 58.03 3g2j h GLU 162 Cb 1.21 -0.06 -0.35 0.00 0.63 0.00 0.00 28.75 30.18 3g2j h GLU 162 CO 0.77 0.67 -0.84 -0.06 -0.73 0.00 0.00 179.01 178.82 3g2j s PHE 163 N -4.78 2.17 0.00 0.92 0.40 1.00 -4.29 117.98 113.39 3g2j s PHE 163 Ca -0.08 -1.15 0.00 0.00 -0.60 0.00 0.00 56.93 55.10 3g2j s PHE 163 Cb 0.15 -1.57 0.00 0.00 0.51 0.00 0.00 43.02 42.10 3g2j s PHE 163 CO 0.79 -0.60 0.00 0.41 0.70 0.00 0.00 175.22 176.51 3g2j n GLY 164 N 4.50 0.41 3.67 4.36 0.00 -1.23 -1.43 105.19 115.48 3g2j n GLY 164 Ca -0.18 -1.74 -0.45 0.00 0.00 0.00 0.00 46.02 43.65 3g2j n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3g2j n ILE 165 N 0.00 0.36 -1.56 -0.61 0.13 0.34 -4.52 119.36 113.49 3g2j n ILE 165 Ca 0.00 -0.09 -0.38 0.00 -1.10 0.00 0.00 62.75 61.18 3g2j n ILE 165 Cb 0.00 -1.55 0.04 0.00 -0.84 0.00 0.00 39.64 37.30 3g2j n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 3g2j n PHE 166 N 2.87 0.30 -2.57 9.51 1.16 -1.26 -4.52 117.46 122.96 3g2j n PHE 166 Ca 0.15 0.45 -0.42 0.00 -1.87 0.00 0.00 57.45 55.75 3g2j n PHE 166 Cb 0.30 -2.08 -0.03 0.00 -1.61 0.00 0.00 39.48 36.07 3g2j n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 3g2j s ASN 167 N -1.19 7.19 -0.24 5.98 0.01 -0.03 -4.87 114.94 121.79 3g2j s ASN 167 Ca 0.73 1.77 -0.20 0.00 -0.71 0.00 0.00 52.86 54.45 3g2j s ASN 167 Cb -0.44 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 38.64 3g2j s ASN 167 CO 0.50 -0.43 0.62 -1.58 -1.51 0.00 0.00 177.10 174.70 3g2j s GLN 168 N 1.48 4.13 -0.07 -0.60 0.74 -1.26 -1.04 119.66 123.04 3g2j s GLN 168 Ca 0.54 0.54 -0.01 0.00 0.05 0.00 0.00 55.36 56.49 3g2j s GLN 168 Cb -0.24 -3.63 -0.03 0.00 1.10 0.00 0.00 33.01 30.21 3g2j s GLN 168 CO 0.25 -0.36 -0.02 0.15 -0.55 0.00 0.00 175.29 174.76 3g2j s LYS 169 N 2.33 2.88 -0.27 1.67 -0.14 0.36 -3.76 119.74 122.82 3g2j s LYS 169 Ca 0.26 -0.48 -0.10 0.00 -1.36 0.00 0.00 55.97 54.30 3g2j s LYS 169 Cb -0.16 -2.71 -0.04 0.00 -1.68 0.00 0.00 37.83 33.24 3g2j s LYS 169 CO 0.09 0.68 0.15 0.42 -0.76 0.00 0.00 175.35 175.93 3g2j s ILE 170 N -0.88 4.98 -0.21 2.17 -1.09 -1.26 0.88 121.20 125.79 3g2j s ILE 170 Ca 0.14 0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.62 3g2j s ILE 170 Cb -0.11 -3.35 0.04 0.00 -1.58 0.00 0.00 42.46 37.46 3g2j s ILE 170 CO 0.03 0.29 -0.11 0.00 -1.23 0.00 0.00 174.94 173.92 3g2j n GLY 172 N 4.64 -0.51 1.73 0.00 0.00 -1.26 -1.28 105.19 108.51 3g2j n GLY 172 Ca -0.15 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3g2j n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g2j n GLY 173 N -1.14 1.44 3.90 -0.02 0.00 -1.26 -5.04 105.19 103.06 3g2j n GLY 173 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3g2j n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3g2j s TRP 174 N -2.75 3.56 0.01 1.61 0.52 -0.41 -3.56 118.94 117.92 3g2j s TRP 174 Ca 0.00 0.42 -0.30 0.00 0.02 0.00 0.00 56.10 56.24 3g2j s TRP 174 Cb 0.00 -1.88 -0.05 0.00 -1.15 0.00 0.00 33.47 30.39 3g2j s TRP 174 CO 0.00 0.64 1.28 -1.14 0.02 0.00 0.00 176.95 177.75 3g2j s GLN 175 N -1.84 4.35 -0.05 4.98 0.74 -1.26 0.10 119.66 126.68 3g2j s GLN 175 Ca 0.27 1.82 0.04 0.00 0.05 0.00 0.00 55.36 57.54 3g2j s GLN 175 Cb -0.13 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.48 3g2j s GLN 175 CO 0.17 -0.43 -0.14 -1.64 -0.55 0.00 0.00 175.29 172.69 3g2j s MET 176 N 1.86 2.50 -0.11 1.67 -1.94 0.25 -4.91 119.30 118.62 3g2j s MET 176 Ca 0.60 -0.70 -0.06 0.00 -1.71 0.00 0.00 55.69 53.82 3g2j s MET 176 Cb -0.29 -2.38 -0.04 0.00 2.01 0.00 0.00 34.83 34.13 3g2j s MET 176 CO 0.26 0.62 0.13 -1.21 -0.01 0.00 0.00 175.02 174.82 3g2j s GLU 177 N -0.73 3.40 0.04 2.03 8.01 -1.26 -0.48 118.70 129.71 3g2j s GLU 177 Ca 0.11 -0.16 0.03 0.00 0.01 0.00 0.00 54.97 54.96 3g2j s GLU 177 Cb -0.11 -3.15 -0.02 0.00 -4.31 0.00 0.00 34.13 26.54 3g2j s GLU 177 CO 0.00 0.77 -0.10 -1.83 0.01 0.00 0.00 175.26 174.11 3g2j s GLU 178 N -1.07 0.65 0.16 1.61 -1.05 -0.20 -4.96 118.70 113.84 3g2j s GLU 178 Ca 0.16 -0.72 -0.34 0.00 -0.15 0.00 0.00 54.97 53.91 3g2j s GLU 178 Cb -0.12 -0.54 -0.14 0.00 -0.44 0.00 0.00 34.13 32.88 3g2j s GLU 178 CO 0.05 0.12 1.47 0.00 0.95 0.00 0.00 175.26 177.85 3g2j n ALA 179 N 1.70 0.71 -2.82 -0.84 0.00 -1.26 -0.85 120.51 117.15 3g2j n ALA 179 Ca -0.20 0.46 -0.43 0.00 0.00 0.00 0.00 53.44 53.26 3g2j n ALA 179 Cb 0.55 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.72 3g2j n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3g2j s ASP 180 N 0.64 6.71 -1.49 0.00 3.68 -1.26 -4.64 116.67 120.31 3g2j s ASP 180 Ca 0.77 -2.14 -0.09 0.00 2.13 0.00 0.00 52.55 53.22 3g2j s ASP 180 Cb -0.74 -2.45 0.01 0.00 -1.45 0.00 0.00 42.92 38.29 3g2j s ASP 180 CO 0.43 -1.11 2.63 -0.67 0.13 0.00 0.00 175.17 176.58 3g2j n ASP 181 N 7.05 7.83 0.28 -0.34 2.03 -1.26 -3.48 116.55 128.66 3g2j n ASP 181 Ca 0.31 -2.82 0.18 0.00 0.52 0.00 0.00 54.79 52.98 3g2j n ASP 181 Cb 0.48 -1.50 0.84 0.00 -0.72 0.00 0.00 41.12 40.22 3g2j n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3g2j h TRP 182 N 5.01 0.00 -0.02 -0.67 5.08 -1.91 -2.47 115.95 120.97 3g2j h TRP 182 Ca 0.76 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.73 3g2j h TRP 182 Cb 0.34 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.50 3g2j h TRP 182 CO 1.71 0.00 -0.04 1.28 -1.28 0.00 0.00 178.44 180.11 3g2j n LEU 183 N -2.99 2.19 -0.24 0.11 4.77 -1.26 -4.57 117.00 115.00 3g2j n LEU 183 Ca -0.01 -0.73 0.02 0.00 -0.03 0.00 0.00 56.01 55.26 3g2j n LEU 183 Cb 0.22 -0.01 0.10 0.00 -2.33 0.00 0.00 43.42 41.40 3g2j n LEU 183 CO 0.24 0.37 0.76 -0.09 -1.33 0.00 0.00 177.39 177.33 3g2j h ARG 184 N 3.37 0.03 -0.32 3.23 2.43 -1.83 0.08 114.38 121.38 3g2j h ARG 184 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3g2j h ARG 184 Cb 0.74 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3g2j h ARG 184 CO 0.00 0.02 0.00 0.66 -1.51 0.00 0.00 179.97 179.14 3g2j n TYR 185 N -5.42 0.41 0.00 2.20 4.01 -1.26 -5.05 117.16 112.05 3g2j n TYR 185 Ca 0.10 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3g2j n TYR 185 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 3g2j n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g2j n GLY 186 N 1.33 0.57 2.82 2.72 0.00 0.01 -4.96 105.19 107.68 3g2j n GLY 186 Ca 0.18 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 3g2j n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g2j s ASN 187 N -1.29 3.71 0.55 1.61 2.47 -1.26 -4.81 114.94 115.92 3g2j s ASN 187 Ca 0.00 -1.30 0.34 0.00 0.42 0.00 0.00 52.86 52.32 3g2j s ASN 187 Cb 0.00 -0.94 1.45 0.00 -1.45 0.00 0.00 41.25 40.31 3g2j s ASN 187 CO 0.00 -0.33 2.01 1.55 -3.72 0.00 0.00 177.10 176.61 3g2j h PRO 188 N 8.06 0.00 0.12 0.43 0.13 -1.98 -3.23 132.00 135.52 3g2j h PRO 188 Ca -0.15 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.71 3g2j h PRO 188 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3g2j h PRO 188 CO 0.42 0.00 -1.23 -1.49 -0.23 0.00 0.00 178.00 175.47 3g2j h TRP 189 N 0.00 0.45 -4.06 1.56 4.06 -1.95 -3.47 115.95 112.55 3g2j h TRP 189 Ca 0.00 -0.33 -0.48 0.00 2.06 0.00 0.00 58.89 60.14 3g2j h TRP 189 Cb 0.46 -0.02 0.01 0.00 -1.00 0.00 0.00 29.16 28.61 3g2j h TRP 189 CO 0.00 1.26 0.30 -1.83 -3.56 0.00 0.00 178.44 174.61 3g2j s GLU 190 N -2.66 3.91 -0.19 0.49 -1.05 -1.22 -4.31 118.70 113.66 3g2j s GLU 190 Ca -0.04 0.82 0.00 0.00 -0.15 0.00 0.00 54.97 55.61 3g2j s GLU 190 Cb 0.07 -2.21 0.05 0.00 -0.44 0.00 0.00 34.13 31.60 3g2j s GLU 190 CO 0.88 -0.20 -0.07 0.21 0.95 0.00 0.00 175.26 177.03 3g2j s LYS 191 N -3.99 1.66 0.32 -4.83 2.47 0.98 -4.94 119.74 111.40 3g2j s LYS 191 Ca 0.57 -0.74 -0.29 0.00 -1.56 0.00 0.00 55.97 53.95 3g2j s LYS 191 Cb -0.10 -2.29 -0.11 0.00 -1.46 0.00 0.00 37.83 33.87 3g2j s LYS 191 CO 0.31 -0.48 1.52 0.00 0.16 0.00 0.00 175.35 176.86 3g2j s ALA 192 N 1.50 3.65 -0.56 3.13 0.00 -1.26 -0.85 121.76 127.38 3g2j s ALA 192 Ca -0.02 1.53 0.06 0.00 0.00 0.00 0.00 51.96 53.54 3g2j s ALA 192 Cb -0.16 -3.61 0.31 0.00 0.00 0.00 0.00 23.12 19.65 3g2j s ALA 192 CO -0.08 -0.97 0.83 0.54 0.00 0.00 0.00 175.76 176.09 3g2j n ARG 193 N 1.43 2.59 0.25 0.00 5.12 -0.11 -4.91 116.66 121.02 3g2j n ARG 193 Ca 0.05 -4.53 0.17 0.00 -1.93 0.00 0.00 57.85 51.61 3g2j n ARG 193 Cb 0.39 -2.11 0.91 0.00 -1.16 0.00 0.00 32.46 30.48 3g2j n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3g2j h PRO 194 N 3.44 0.00 0.00 5.56 0.13 -1.94 0.11 132.00 139.30 3g2j h PRO 194 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3g2j h PRO 194 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 3g2j h PRO 194 CO 0.77 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.69 3g2j n GLU 195 N -2.68 0.12 -0.71 0.86 0.00 -1.26 -3.01 120.64 113.96 3g2j n GLU 195 Ca -0.02 0.20 0.04 0.00 0.00 0.00 0.00 57.16 57.38 3g2j n GLU 195 Cb 0.06 -1.67 0.30 0.00 0.00 0.00 0.00 31.44 30.12 3g2j n GLU 195 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3g2j n PHE 196 N -1.89 1.54 -2.03 -1.84 3.72 0.39 -5.01 117.46 112.35 3g2j n PHE 196 Ca 0.05 -0.99 -0.41 0.00 -0.05 0.00 0.00 57.45 56.04 3g2j n PHE 196 Cb 0.31 -0.46 -0.02 0.00 -0.94 0.00 0.00 39.48 38.37 3g2j n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3g2j s THR 197 N -2.90 2.68 0.02 4.37 2.01 -1.16 -4.62 115.64 116.04 3g2j s THR 197 Ca 0.48 0.58 0.06 0.00 0.31 0.00 0.00 61.69 63.12 3g2j s THR 197 Cb 0.39 -3.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 3g2j s THR 197 CO 0.10 0.10 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.20 3g2j s LEU 198 N -0.49 2.12 0.19 4.42 1.02 -0.23 -4.93 118.68 120.79 3g2j s LEU 198 Ca 0.58 -0.43 -0.30 0.00 0.02 0.00 0.00 54.13 54.00 3g2j s LEU 198 Cb -0.41 -0.83 -0.08 0.00 0.02 0.00 0.00 46.19 44.88 3g2j s LEU 198 CO 0.44 0.14 0.95 -2.16 0.02 0.00 0.00 176.35 175.74 3g2j s PRO 199 N -0.91 4.80 -0.08 1.29 0.04 -1.26 0.67 135.00 139.54 3g2j s PRO 199 Ca 0.05 1.48 0.05 0.00 0.04 0.00 0.00 61.00 62.62 3g2j s PRO 199 Cb -0.08 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 3g2j s PRO 199 CO 0.01 0.40 -0.23 0.08 0.04 0.00 0.00 177.00 177.30 3g2j s VAL 200 N -0.73 2.21 -0.08 -0.36 1.01 0.12 -4.85 120.40 117.73 3g2j s VAL 200 Ca 0.43 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 3g2j s VAL 200 Cb -0.25 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3g2j s VAL 200 CO 0.31 0.56 0.07 -1.00 0.00 0.00 0.00 175.10 175.04 3g2j s HIS 201 N 0.06 3.34 0.13 5.22 3.76 -1.26 -0.37 115.29 126.17 3g2j s HIS 201 Ca -0.10 0.32 0.04 0.00 -0.15 0.00 0.00 55.06 55.17 3g2j s HIS 201 Cb -0.15 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.66 3g2j s HIS 201 CO 0.06 0.58 -0.09 -0.06 -0.85 0.00 0.00 174.74 174.38 3g2j s PHE 202 N -1.00 1.14 0.00 1.40 0.40 -0.04 -4.97 117.98 114.91 3g2j s PHE 202 Ca 0.16 -0.79 0.00 0.00 -0.60 0.00 0.00 56.93 55.70 3g2j s PHE 202 Cb -0.12 -0.60 0.00 0.00 0.51 0.00 0.00 43.02 42.81 3g2j s PHE 202 CO 0.05 0.01 0.00 0.66 0.70 0.00 0.00 175.22 176.65 3g2j n TYR 203 N -0.06 0.00 -4.39 0.36 4.01 0.11 -0.95 117.16 116.24 3g2j n TYR 203 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 3g2j n TYR 203 Cb 0.60 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 3g2j n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g2j n GLY 204 N 0.00 -0.28 3.59 2.72 0.00 -1.23 -4.57 105.19 105.43 3g2j n GLY 204 Ca 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 3g2j n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3g2j s ARG 205 N 0.00 1.50 -0.19 1.61 1.70 -0.16 -4.86 118.95 118.54 3g2j s ARG 205 Ca 0.00 -1.07 -0.09 0.00 -0.47 0.00 0.00 55.73 54.10 3g2j s ARG 205 Cb 0.00 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 3g2j s ARG 205 CO 0.00 -0.63 0.09 0.08 -1.08 0.00 0.00 175.30 173.76 3g2j s VAL 206 N -3.95 5.05 -0.16 4.99 1.01 -1.26 -1.05 120.40 125.04 3g2j s VAL 206 Ca 0.16 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 3g2j s VAL 206 Cb -0.01 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 3g2j s VAL 206 CO 0.04 0.45 -0.14 -0.70 0.00 0.00 0.00 175.10 174.75 3g2j s GLU 207 N 0.40 3.27 -0.25 2.72 2.12 0.15 -4.95 118.70 122.18 3g2j s GLU 207 Ca 0.05 -0.72 -0.12 0.00 0.36 0.00 0.00 54.97 54.54 3g2j s GLU 207 Cb -0.12 -2.66 -0.05 0.00 0.26 0.00 0.00 34.13 31.56 3g2j s GLU 207 CO -0.01 0.04 0.25 -1.01 -0.54 0.00 0.00 175.26 173.99 3g2j s HIS 208 N 0.77 3.30 0.42 5.30 3.76 -1.26 0.85 115.29 128.42 3g2j s HIS 208 Ca -0.05 0.31 0.07 0.00 -0.15 0.00 0.00 55.06 55.24 3g2j s HIS 208 Cb -0.15 -2.39 -0.03 0.00 1.11 0.00 0.00 32.58 31.11 3g2j s HIS 208 CO 0.01 -0.04 0.27 0.95 -0.85 0.00 0.00 174.74 175.07 3g2j s THR 209 N 1.41 2.38 0.27 1.30 -4.23 0.14 -4.99 115.64 111.92 3g2j s THR 209 Ca 0.11 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 3g2j s THR 209 Cb -0.15 -2.94 0.25 0.00 1.34 0.00 0.00 72.50 71.01 3g2j s THR 209 CO 0.07 0.00 1.74 0.77 -0.54 0.00 0.00 174.62 176.66 3g2j h SER 210 N 1.23 0.42 -2.50 3.99 4.64 -2.03 -2.71 113.55 116.60 3g2j h SER 210 Ca -0.42 0.11 -0.76 0.00 -0.47 0.00 0.00 61.79 60.25 3g2j h SER 210 Cb 1.26 0.06 -0.31 0.00 -0.31 0.00 0.00 62.40 63.11 3g2j h SER 210 CO 0.65 0.13 0.59 0.00 -0.87 0.00 0.00 176.83 177.32 3g2j n GLN 211 N -4.95 4.54 0.00 4.77 10.64 -1.26 -5.05 117.38 126.07 3g2j n GLN 211 Ca 0.18 -4.65 0.00 0.00 -1.83 0.00 0.00 57.00 50.70 3g2j n GLN 211 Cb 0.50 -2.44 0.00 0.00 -0.86 0.00 0.00 30.24 27.45 3g2j n GLN 211 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3g2j n GLY 212 N 0.54 -0.03 3.80 2.61 0.00 -1.02 -4.98 105.19 106.11 3g2j n GLY 212 Ca 0.35 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 3g2j n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g2j s ALA 213 N -1.55 3.08 -0.03 4.61 0.00 -1.26 -0.68 121.76 125.92 3g2j s ALA 213 Ca 0.00 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.45 3g2j s ALA 213 Cb 0.00 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.96 3g2j s ALA 213 CO 0.00 0.08 -0.05 0.15 0.00 0.00 0.00 175.76 175.94 3g2j s LYS 214 N -2.79 0.73 -0.39 0.00 1.02 0.25 -4.87 119.74 113.69 3g2j s LYS 214 Ca 0.59 -0.12 -0.16 0.00 0.02 0.00 0.00 55.97 56.29 3g2j s LYS 214 Cb -0.14 -0.74 0.01 0.00 -0.52 0.00 0.00 37.83 36.44 3g2j s LYS 214 CO 0.18 -0.03 0.41 -0.46 -0.92 0.00 0.00 175.35 174.53 3g2j s TRP 215 N 0.67 3.19 0.32 3.18 -0.00 -1.26 0.33 118.94 125.37 3g2j s TRP 215 Ca -0.09 -0.23 0.05 0.00 -0.00 0.00 0.00 56.10 55.83 3g2j s TRP 215 Cb -0.12 -2.81 -0.06 0.00 -0.00 0.00 0.00 33.47 30.48 3g2j s TRP 215 CO 0.00 -0.59 0.02 0.14 -0.00 0.00 0.00 176.95 176.52 3g2j s VAL 216 N 2.09 1.42 -1.51 5.86 -7.23 -0.21 -4.79 120.40 116.03 3g2j s VAL 216 Ca 0.12 -2.03 -0.05 0.00 -1.81 0.00 0.00 61.98 58.21 3g2j s VAL 216 Cb -0.17 -2.71 0.02 0.00 0.56 0.00 0.00 36.38 34.07 3g2j s VAL 216 CO 0.13 -0.09 0.48 0.47 -0.31 0.00 0.00 175.10 175.78 3g2j n ASP 217 N -0.69 -5.54 -4.84 4.85 8.00 -1.26 -0.99 116.55 116.08 3g2j n ASP 217 Ca -0.04 -0.25 -0.32 0.00 0.71 0.00 0.00 54.79 54.89 3g2j n ASP 217 Cb 0.66 -4.52 -0.04 0.00 -0.02 0.00 0.00 41.12 37.20 3g2j n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3g2j s THR 218 N -3.09 4.51 -0.04 -3.53 -4.23 -1.26 -3.50 115.64 104.50 3g2j s THR 218 Ca 0.27 1.25 -0.19 0.00 -1.18 0.00 0.00 61.69 61.84 3g2j s THR 218 Cb -0.13 -3.69 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 3g2j s THR 218 CO 0.33 -0.60 0.53 -1.10 -0.54 0.00 0.00 174.62 173.25 3g2j s GLN 219 N -3.86 4.27 -0.20 3.99 -0.21 -0.13 -4.90 119.66 118.62 3g2j s GLN 219 Ca 0.59 0.60 -0.09 0.00 0.02 0.00 0.00 55.36 56.48 3g2j s GLN 219 Cb -0.10 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.51 3g2j s GLN 219 CO 0.27 0.34 0.10 0.08 -2.12 0.00 0.00 175.29 173.96 3g2j s VAL 220 N -0.04 5.05 -0.08 1.09 1.01 -1.26 -0.86 120.40 125.31 3g2j s VAL 220 Ca 0.28 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.35 3g2j s VAL 220 Cb -0.17 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 3g2j s VAL 220 CO 0.14 0.43 -0.16 -0.69 0.00 0.00 0.00 175.10 174.83 3g2j s VAL 221 N 0.53 2.90 0.18 2.92 1.01 0.51 -4.47 120.40 123.98 3g2j s VAL 221 Ca 0.05 -0.75 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 3g2j s VAL 221 Cb -0.12 -2.16 -0.08 0.00 0.00 0.00 0.00 36.38 34.02 3g2j s VAL 221 CO 0.00 0.56 0.80 -0.76 0.00 0.00 0.00 175.10 175.71 3g2j s LEU 222 N -0.23 4.60 -0.29 3.92 1.43 0.86 0.16 118.68 129.13 3g2j s LEU 222 Ca 0.01 1.69 -0.06 0.00 -1.03 0.00 0.00 54.13 54.74 3g2j s LEU 222 Cb -0.13 -3.35 0.01 0.00 0.03 0.00 0.00 46.19 42.76 3g2j s LEU 222 CO 0.03 0.20 0.05 0.00 0.23 0.00 0.00 176.35 176.86 3g2j s ALA 223 N -1.16 2.99 -0.24 4.21 0.00 0.21 -0.77 121.76 127.00 3g2j s ALA 223 Ca 0.37 -1.46 -0.07 0.00 0.00 0.00 0.00 51.96 50.80 3g2j s ALA 223 Cb -0.23 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 3g2j s ALA 223 CO 0.27 -0.91 0.06 1.41 0.00 0.00 0.00 175.76 176.60 3g2j s MET 224 N 1.46 3.68 0.32 0.00 1.75 0.96 -1.06 119.30 126.41 3g2j s MET 224 Ca 0.02 -0.47 -0.24 0.00 -1.25 0.00 0.00 55.69 53.76 3g2j s MET 224 Cb -0.17 -3.30 -0.10 0.00 2.84 0.00 0.00 34.83 34.10 3g2j s MET 224 CO 0.01 -0.13 0.89 -1.25 -0.65 0.00 0.00 175.02 173.89 3g2j s PRO 225 N 1.45 4.44 -0.12 4.11 0.05 -1.26 0.25 135.00 143.91 3g2j s PRO 225 Ca 0.06 1.18 0.01 0.00 0.05 0.00 0.00 61.00 62.30 3g2j s PRO 225 Cb -0.15 -2.71 0.02 0.00 0.05 0.00 0.00 34.50 31.71 3g2j s PRO 225 CO 0.03 0.25 -0.16 0.71 0.05 0.00 0.00 177.00 177.89 3g2j s TYR 226 N -1.70 2.09 -0.17 0.56 1.51 0.91 -0.93 117.35 119.63 3g2j s TYR 226 Ca 0.51 -1.05 -0.12 0.00 -1.01 0.00 0.00 57.07 55.40 3g2j s TYR 226 Cb -0.16 -1.51 -0.05 0.00 -0.11 0.00 0.00 41.96 40.13 3g2j s TYR 226 CO 0.21 -0.54 0.23 -0.51 -1.11 0.00 0.00 175.55 173.83 3g2j s ASP 227 N 1.11 6.36 -0.08 2.29 -0.00 -0.03 -0.56 116.67 125.77 3g2j s ASP 227 Ca -0.03 0.42 0.03 0.00 -0.00 0.00 0.00 52.55 52.97 3g2j s ASP 227 Cb -0.14 -2.14 -0.01 0.00 -0.00 0.00 0.00 42.92 40.62 3g2j s ASP 227 CO -0.04 0.15 -0.19 -0.89 -0.00 0.00 0.00 175.17 174.20 3g2j s THR 228 N 0.30 2.60 0.25 -1.27 2.01 0.77 -0.02 115.64 120.28 3g2j s THR 228 Ca 0.14 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.98 3g2j s THR 228 Cb -0.12 -2.02 -0.09 0.00 0.01 0.00 0.00 72.50 70.28 3g2j s THR 228 CO 0.02 0.56 1.15 -2.16 -0.69 0.00 0.00 174.62 173.50 3g2j s PRO 229 N -0.06 4.56 -0.39 4.92 0.04 -1.26 -0.60 135.00 142.20 3g2j s PRO 229 Ca -0.05 1.87 0.03 0.00 0.04 0.00 0.00 61.00 62.89 3g2j s PRO 229 Cb -0.14 -3.20 0.11 0.00 0.04 0.00 0.00 34.50 31.31 3g2j s PRO 229 CO 0.04 0.06 0.12 0.08 0.04 0.00 0.00 177.00 177.35 3g2j s VAL 230 N -0.73 2.52 0.10 -0.36 1.01 0.16 -4.87 120.40 118.24 3g2j s VAL 230 Ca 0.48 -2.50 -0.30 0.00 0.00 0.00 0.00 61.98 59.65 3g2j s VAL 230 Cb -0.33 -2.81 -0.06 0.00 0.00 0.00 0.00 36.38 33.18 3g2j s VAL 230 CO 0.40 -0.66 1.04 -2.16 0.00 0.00 0.00 175.10 173.72 3g2j s PRO 231 N 0.69 4.61 0.88 2.72 0.04 -1.26 -0.25 135.00 142.42 3g2j s PRO 231 Ca 0.12 1.56 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 3g2j s PRO 231 Cb -0.21 -3.36 0.12 0.00 0.04 0.00 0.00 34.50 31.09 3g2j s PRO 231 CO -0.06 0.06 1.09 0.20 0.04 0.00 0.00 177.00 178.34 3g2j s GLY 232 N 0.30 1.62 -0.60 0.56 0.00 0.19 -4.71 107.32 104.68 3g2j s GLY 232 Ca 0.50 -0.12 -0.27 0.00 0.00 0.00 0.00 44.72 44.83 3g2j s GLY 232 CO 0.31 0.36 1.51 -0.47 0.00 0.00 0.00 173.10 174.81 3g2j s TYR 233 N -2.99 2.12 -1.17 1.90 6.14 -1.26 -4.18 117.35 117.90 3g2j s TYR 233 Ca 0.63 0.44 -0.07 0.00 0.64 0.00 0.00 57.07 58.71 3g2j s TYR 233 Cb -0.17 -4.36 0.05 0.00 0.42 0.00 0.00 41.96 37.90 3g2j s TYR 233 CO 0.56 -2.12 0.36 0.54 0.64 0.00 0.00 175.55 175.54 3g2j n ARG 234 N 8.93 -3.10 -0.01 4.97 3.00 0.48 -4.79 116.66 126.14 3g2j n ARG 234 Ca 0.13 0.47 0.00 0.00 -0.01 0.00 0.00 57.85 58.44 3g2j n ARG 234 Cb 0.50 -5.15 0.01 0.00 0.00 0.00 0.00 32.46 27.82 3g2j n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3g2j n ASN 235 N -2.15 1.81 -0.67 0.55 2.04 -1.26 -4.94 115.26 110.65 3g2j n ASN 235 Ca -0.04 -1.76 -0.09 0.00 -0.44 0.00 0.00 54.58 52.25 3g2j n ASN 235 Cb 0.55 -0.01 -0.04 0.00 -2.53 0.00 0.00 39.78 37.75 3g2j n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3g2j n ASN 236 N -0.32 -5.67 -4.72 0.53 3.02 -1.26 -1.27 115.26 105.57 3g2j n ASN 236 Ca 0.01 0.22 -0.39 0.00 -0.03 0.00 0.00 54.58 54.39 3g2j n ASN 236 Cb 0.20 -3.94 -0.05 0.00 -0.61 0.00 0.00 39.78 35.38 3g2j n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3g2j s VAL 237 N -1.79 5.12 -0.22 2.41 1.01 -1.26 -4.74 120.40 120.93 3g2j s VAL 237 Ca 0.00 1.15 -0.00 0.00 0.00 0.00 0.00 61.98 63.13 3g2j s VAL 237 Cb 0.00 -3.91 0.06 0.00 0.00 0.00 0.00 36.38 32.53 3g2j s VAL 237 CO 0.00 0.30 -0.04 -0.69 0.00 0.00 0.00 175.10 174.68 3g2j s VAL 238 N 0.65 1.29 0.74 2.92 1.01 -1.26 0.56 120.40 126.31 3g2j s VAL 238 Ca 0.31 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3g2j s VAL 238 Cb -0.16 -1.59 0.14 0.00 0.00 0.00 0.00 36.38 34.77 3g2j s VAL 238 CO 0.14 -0.09 1.02 0.20 0.00 0.00 0.00 175.10 176.37 3g2j s ASN 239 N 1.51 4.22 -0.08 3.32 0.01 0.66 -4.59 114.94 120.00 3g2j s ASN 239 Ca -0.04 -0.41 0.05 0.00 -0.71 0.00 0.00 52.86 51.74 3g2j s ASN 239 Cb -0.18 0.09 -0.00 0.00 0.41 0.00 0.00 41.25 41.57 3g2j s ASN 239 CO -0.07 -1.96 -0.23 -0.89 -1.51 0.00 0.00 177.10 172.45 3g2j s THR 240 N -3.19 1.95 -0.30 1.60 2.01 -1.26 0.39 115.64 116.85 3g2j s THR 240 Ca 0.67 -0.98 -0.10 0.00 0.31 0.00 0.00 61.69 61.60 3g2j s THR 240 Cb -0.05 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 3g2j s THR 240 CO 0.45 0.54 0.16 -0.32 -0.69 0.00 0.00 174.62 174.76 3g2j s MET 241 N 0.17 3.45 -0.29 4.92 1.75 0.23 -1.93 119.30 127.61 3g2j s MET 241 Ca -0.12 -0.64 -0.09 0.00 -1.25 0.00 0.00 55.69 53.59 3g2j s MET 241 Cb -0.16 -3.57 -0.02 0.00 2.84 0.00 0.00 34.83 33.92 3g2j s MET 241 CO 0.06 -0.37 0.12 0.50 -0.65 0.00 0.00 175.02 174.68 3g2j s ARG 242 N 1.64 3.46 -0.13 4.11 3.52 0.15 -0.16 118.95 131.54 3g2j s ARG 242 Ca 0.05 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 3g2j s ARG 242 Cb -0.17 -3.47 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 3g2j s ARG 242 CO 0.07 -0.32 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.58 3g2j s LEU 243 N 1.61 2.61 0.10 -0.88 1.43 0.28 -2.07 118.68 121.77 3g2j s LEU 243 Ca 0.05 -0.37 -0.21 0.00 -1.03 0.00 0.00 54.13 52.57 3g2j s LEU 243 Cb -0.16 -1.58 -0.07 0.00 0.03 0.00 0.00 46.19 44.41 3g2j s LEU 243 CO 0.05 0.16 0.64 0.26 0.23 0.00 0.00 176.35 177.69 3g2j s TRP 244 N 0.36 3.84 -0.06 0.29 0.52 -0.20 -0.06 118.94 123.63 3g2j s TRP 244 Ca -0.12 1.39 0.04 0.00 0.02 0.00 0.00 56.10 57.43 3g2j s TRP 244 Cb -0.16 -2.59 -0.02 0.00 -1.15 0.00 0.00 33.47 29.54 3g2j s TRP 244 CO 0.06 0.55 -0.17 0.45 0.02 0.00 0.00 176.95 177.86 3g2j s SER 245 N -1.07 3.77 -0.01 2.95 0.15 0.14 -0.83 113.70 118.79 3g2j s SER 245 Ca 0.31 -0.30 -0.29 0.00 0.70 0.00 0.00 55.95 56.38 3g2j s SER 245 Cb -0.21 -0.93 -0.03 0.00 -1.71 0.00 0.00 66.02 63.15 3g2j s SER 245 CO 0.21 0.30 0.93 0.00 1.20 0.00 0.00 173.24 175.87 3g2j s ALA 246 N -0.44 3.20 -0.02 5.45 0.00 -1.26 -0.03 121.76 128.66 3g2j s ALA 246 Ca 0.05 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.49 3g2j s ALA 246 Cb -0.12 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3g2j s ALA 246 CO 0.02 -0.21 -0.10 0.15 0.00 0.00 0.00 175.76 175.62 3g2j s LYS 247 N 0.98 0.98 0.35 0.00 -0.14 0.05 -4.58 119.74 117.39 3g2j s LYS 247 Ca 0.49 -0.33 -0.27 0.00 -1.36 0.00 0.00 55.97 54.51 3g2j s LYS 247 Cb -0.20 -0.91 -0.09 0.00 -1.68 0.00 0.00 37.83 34.94 3g2j s LYS 247 CO 0.26 0.14 1.12 0.00 -0.76 0.00 0.00 175.35 176.11 3g2j s ALA 248 N 0.11 3.24 0.79 5.17 0.00 -1.26 -0.10 121.76 129.71 3g2j s ALA 248 Ca -0.02 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 3g2j s ALA 248 Cb -0.08 -3.34 0.07 0.00 0.00 0.00 0.00 23.12 19.77 3g2j s ALA 248 CO 0.00 -0.33 1.11 -1.25 0.00 0.00 0.00 175.76 175.30 3g2j s PRO 249 N -2.02 2.02 0.44 0.00 0.04 -1.26 -4.82 135.00 129.39 3g2j s PRO 249 Ca 0.52 1.32 0.27 0.00 0.04 0.00 0.00 61.00 63.15 3g2j s PRO 249 Cb -0.29 -1.86 0.80 0.00 0.04 0.00 0.00 34.50 33.19 3g2j s PRO 249 CO 0.38 -1.84 1.77 -0.91 0.04 0.00 0.00 177.00 176.43 3g2j h ASN 250 N -1.13 0.00 -0.41 6.66 2.35 -1.99 -1.95 115.58 119.11 3g2j h ASN 250 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3g2j h ASN 250 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 3g2j h ASN 250 CO 0.49 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.37 3g2j n ASP 251 N -2.93 2.41 -4.63 5.81 5.75 -1.26 -4.84 116.55 116.85 3g2j n ASP 251 Ca 0.03 -2.06 -0.44 0.00 -0.01 0.00 0.00 54.79 52.30 3g2j n ASP 251 Cb 0.42 -0.32 -0.04 0.00 -1.03 0.00 0.00 41.12 40.15 3g2j n ASP 251 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3g2j n PHE 252 N 0.68 2.24 -0.92 2.11 7.35 -0.74 -0.47 117.46 127.72 3g2j n PHE 252 Ca 0.14 -0.19 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 3g2j n PHE 252 Cb 0.40 -2.74 0.00 0.00 0.35 0.00 0.00 39.48 37.49 3g2j n PHE 252 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3g2j n ASN 253 N 8.95 -4.71 -4.08 -2.13 4.13 -1.26 -4.71 115.26 111.44 3g2j n ASN 253 Ca 0.25 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 56.19 3g2j n ASN 253 Cb 0.39 -3.07 -0.16 0.00 -1.54 0.00 0.00 39.78 35.41 3g2j n ASN 253 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3g2j s LEU 254 N 0.00 2.69 0.00 3.41 1.43 0.38 -4.82 118.68 121.76 3g2j s LEU 254 Ca 0.00 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.11 3g2j s LEU 254 Cb 0.00 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.75 3g2j s LEU 254 CO 0.00 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.09 3g2j n GLY 261 N 4.55 -1.66 0.22 -3.19 0.00 -1.26 -4.99 105.19 98.85 3g2j n GLY 261 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 3g2j n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3g2j h TYR 262 N 0.00 -0.46 -0.18 1.61 3.20 -1.99 -0.30 116.97 118.84 3g2j h TYR 262 Ca 0.00 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 3g2j h TYR 262 Cb 0.00 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 3g2j h TYR 262 CO 0.00 -0.27 -0.05 0.82 -1.64 0.00 0.00 178.16 177.02 3g2j h ILE 263 N -0.40 0.80 -0.73 1.81 1.08 -2.02 -2.05 117.51 116.00 3g2j h ILE 263 Ca -0.01 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.47 3g2j h ILE 263 Cb 0.36 0.80 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 3g2j h ILE 263 CO -0.02 0.00 0.48 1.56 -0.69 0.00 0.00 178.15 179.47 3g2j h GLN 264 N -0.02 0.96 -0.69 2.37 1.08 -1.94 -0.72 115.11 116.16 3g2j h GLN 264 Ca 0.09 -0.06 0.08 0.00 -1.45 0.00 0.00 58.65 57.31 3g2j h GLN 264 Cb 0.15 -0.22 -0.07 0.00 -0.05 0.00 0.00 27.48 27.30 3g2j h GLN 264 CO -0.20 0.64 0.35 0.00 -0.95 0.00 0.00 178.83 178.68 3g2j h ALA 265 N 1.26 0.94 -0.52 3.87 0.00 -0.67 0.68 119.26 124.83 3g2j h ALA 265 Ca 0.27 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 3g2j h ALA 265 Cb -0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3g2j h ALA 265 CO -0.06 -0.03 0.00 0.28 0.00 0.00 0.00 179.25 179.44 3g2j h VAL 266 N 0.61 1.26 0.00 0.00 2.07 -0.78 -2.94 116.25 116.47 3g2j h VAL 266 Ca 0.33 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 3g2j h VAL 266 Cb 0.32 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3g2j h VAL 266 CO -0.25 0.38 -0.39 -0.07 0.02 0.00 0.00 177.57 177.26 3g2j h LEU 267 N 0.79 0.00 0.00 2.57 3.38 -0.46 -2.78 115.31 118.80 3g2j h LEU 267 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3g2j h LEU 267 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3g2j h LEU 267 CO 0.03 0.39 0.00 0.47 0.09 0.00 0.00 178.44 179.42 3g2j n ASP 268 N -4.07 0.00 0.18 -0.43 8.00 0.17 -2.70 116.55 117.70 3g2j n ASP 268 Ca -0.02 -0.37 0.14 0.00 0.71 0.00 0.00 54.79 55.26 3g2j n ASP 268 Cb 0.43 -0.18 0.73 0.00 -0.02 0.00 0.00 41.12 42.08 3g2j n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3g2j h ARG 269 N 0.00 0.00 -0.63 -1.24 3.08 -1.49 -1.90 114.38 112.20 3g2j h ARG 269 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 3g2j h ARG 269 Cb 0.15 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3g2j h ARG 269 CO 0.00 0.00 0.44 -0.91 -1.07 0.00 0.00 179.97 178.43 3g2j h ASN 270 N 0.00 0.16 -0.31 7.04 2.35 -1.74 -2.41 115.58 120.67 3g2j h ASN 270 Ca 0.09 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3g2j h ASN 270 Cb 0.41 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3g2j h ASN 270 CO -0.00 0.08 0.18 -0.07 -1.65 0.00 0.00 177.43 175.97 3g2j h LEU 271 N 0.17 0.38 -0.54 1.61 4.07 -1.60 0.11 115.31 119.51 3g2j h LEU 271 Ca 0.30 -0.06 -0.04 0.00 0.08 0.00 0.00 57.88 58.16 3g2j h LEU 271 Cb 0.96 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.58 3g2j h LEU 271 CO -0.05 0.33 0.19 0.00 -1.08 0.00 0.00 178.44 177.83 3g2j h ALA 272 N 1.06 0.71 0.00 1.53 0.00 -1.61 -3.14 119.26 117.81 3g2j h ALA 272 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3g2j h ALA 272 Cb 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3g2j h ALA 272 CO -0.02 0.35 0.00 0.93 0.00 0.00 0.00 179.25 180.51 3g2j h GLU 273 N 0.75 0.00 -0.10 0.00 5.08 -1.15 -3.01 114.58 116.14 3g2j h GLU 273 Ca 0.18 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 3g2j h GLU 273 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3g2j h GLU 273 CO -0.01 0.00 0.15 -0.91 -1.00 0.00 0.00 179.01 177.24 3g2j h ASN 274 N 0.00 0.00 -0.67 1.42 2.35 -0.73 -3.03 115.58 114.92 3g2j h ASN 274 Ca 0.00 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 55.89 3g2j h ASN 274 Cb 0.73 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.00 3g2j h ASN 274 CO 0.00 0.00 0.11 0.40 -1.65 0.00 0.00 177.43 176.29 3g2j h ILE 275 N 0.00 0.53 -0.64 2.81 2.04 -1.71 -1.54 117.51 119.00 3g2j h ILE 275 Ca 0.05 -0.07 -0.16 0.00 1.00 0.00 0.00 64.86 65.67 3g2j h ILE 275 Cb 0.35 0.29 -0.10 0.00 -0.74 0.00 0.00 36.82 36.62 3g2j h ILE 275 CO -0.00 0.04 0.18 -1.54 0.00 0.00 0.00 178.15 176.83 3g2j n SER 276 N -5.19 4.69 -0.00 1.72 3.41 -1.14 -4.60 113.62 112.50 3g2j n SER 276 Ca 0.11 -3.21 -0.17 0.00 -0.26 0.00 0.00 58.87 55.35 3g2j n SER 276 Cb 0.40 -0.71 -0.11 0.00 -0.26 0.00 0.00 64.21 63.53 3g2j n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3g2j h ARG 277 N 2.62 0.39 -3.07 4.33 9.65 -1.37 -1.60 114.38 125.33 3g2j h ARG 277 Ca 0.20 -0.42 -0.16 0.00 -1.10 0.00 0.00 59.98 58.50 3g2j h ARG 277 Cb 2.15 0.12 -0.26 0.00 -1.39 0.00 0.00 29.97 30.58 3g2j h ARG 277 CO 0.63 1.09 -0.42 0.54 2.80 0.00 0.00 179.97 184.61 3g2j s VAL 278 N -3.22 -0.01 0.04 0.20 0.11 -1.26 -0.00 120.40 116.26 3g2j s VAL 278 Ca -0.13 0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.64 3g2j s VAL 278 Cb 0.03 -0.38 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 3g2j s VAL 278 CO 0.82 0.01 1.24 -0.22 -3.33 0.00 0.00 175.10 173.61 3g2j s LEU 279 N 0.35 4.35 0.01 2.54 2.96 -0.51 -4.98 118.68 123.40 3g2j s LEU 279 Ca -0.02 2.02 -0.30 0.00 -0.22 0.00 0.00 54.13 55.62 3g2j s LEU 279 Cb -0.03 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.01 3g2j s LEU 279 CO -0.01 -0.53 1.76 -0.31 -1.32 0.00 0.00 176.35 175.93 3g2j s TYR 280 N 1.38 1.87 -0.15 5.38 1.51 -1.26 -4.82 117.35 121.26 3g2j s TYR 280 Ca 0.59 0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.67 3g2j s TYR 280 Cb -0.30 -4.04 0.21 0.00 -0.11 0.00 0.00 41.96 37.72 3g2j s TYR 280 CO 0.28 -4.44 1.38 -0.35 -1.11 0.00 0.00 175.55 171.31 3g2j n PRO 281 N 6.84 1.42 -3.44 -1.71 -0.04 -1.26 -4.88 135.00 131.92 3g2j n PRO 281 Ca 0.18 -0.97 -0.38 0.00 -0.04 0.00 0.00 63.50 62.29 3g2j n PRO 281 Cb 0.41 -1.38 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 3g2j n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3g2j s ASN 282 N 0.33 6.39 -0.23 3.54 0.01 -1.26 -4.38 114.94 119.33 3g2j s ASN 282 Ca 0.19 0.45 -0.07 0.00 -0.71 0.00 0.00 52.86 52.72 3g2j s ASN 282 Cb 0.15 -2.21 -0.03 0.00 0.41 0.00 0.00 41.25 39.58 3g2j s ASN 282 CO 0.03 -0.04 0.06 -0.62 -1.51 0.00 0.00 177.10 175.02 3g2j s ASP 283 N 1.01 5.16 -1.32 -1.22 2.15 -1.26 -4.61 116.67 116.57 3g2j s ASP 283 Ca 0.17 -0.16 -0.04 0.00 0.43 0.00 0.00 52.55 52.95 3g2j s ASP 283 Cb -0.14 -1.91 0.02 0.00 -0.30 0.00 0.00 42.92 40.58 3g2j s ASP 283 CO 0.07 0.02 0.93 0.59 -0.17 0.00 0.00 175.17 176.61 3g2j n ASN 284 N 4.59 -3.02 -3.67 -0.34 3.02 -1.26 -5.00 115.26 109.58 3g2j n ASN 284 Ca -0.16 -0.70 -0.10 0.00 -0.03 0.00 0.00 54.58 53.58 3g2j n ASN 284 Cb 0.52 -4.54 -0.09 0.00 -0.61 0.00 0.00 39.78 35.06 3g2j n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3g2j s PHE 285 N -3.45 -0.76 -0.27 3.10 5.36 -1.26 -4.32 117.98 116.38 3g2j s PHE 285 Ca 0.22 1.63 -0.12 0.00 -0.96 0.00 0.00 56.93 57.70 3g2j s PHE 285 Cb -0.10 0.37 -0.05 0.00 -0.34 0.00 0.00 43.02 42.90 3g2j s PHE 285 CO 0.77 -0.39 0.24 0.12 -1.46 0.00 0.00 175.22 174.51 3g2j s PHE 286 N 1.12 3.24 -0.28 10.12 2.19 0.12 -4.86 117.98 129.63 3g2j s PHE 286 Ca -0.07 0.22 -0.05 0.00 0.33 0.00 0.00 56.93 57.35 3g2j s PHE 286 Cb -0.06 -2.42 0.01 0.00 -1.31 0.00 0.00 43.02 39.24 3g2j s PHE 286 CO -0.11 -0.16 0.04 -2.00 1.83 0.00 0.00 175.22 174.83 3g2j s GLU 287 N 1.77 3.07 -0.70 10.12 2.12 -1.26 -4.95 118.70 128.87 3g2j s GLU 287 Ca 0.09 -0.85 -0.07 0.00 0.36 0.00 0.00 54.97 54.50 3g2j s GLU 287 Cb -0.16 -3.26 -0.18 0.00 0.26 0.00 0.00 34.13 30.79 3g2j s GLU 287 CO 0.10 -0.41 3.17 0.41 -0.54 0.00 0.00 175.26 178.00 3g2j n GLY 288 N 4.82 3.44 3.85 -1.50 0.00 -1.26 -4.92 105.19 109.62 3g2j n GLY 288 Ca -0.15 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 3g2j n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g2j s LYS 289 N 1.68 3.84 0.22 1.61 -0.14 -1.26 -4.99 119.74 120.70 3g2j s LYS 289 Ca 0.64 0.31 -0.08 0.00 -1.36 0.00 0.00 55.97 55.48 3g2j s LYS 289 Cb 0.24 -3.16 0.26 0.00 -1.68 0.00 0.00 37.83 33.49 3g2j s LYS 289 CO -0.03 0.66 1.82 1.49 -0.76 0.00 0.00 175.35 178.54 3g2j h GLU 290 N 4.46 0.76 -0.97 1.68 4.81 -2.00 -2.20 114.58 121.12 3g2j h GLU 290 Ca -0.51 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 58.72 3g2j h GLU 290 Cb 1.21 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 3g2j h GLU 290 CO 0.62 0.50 0.63 1.25 -0.73 0.00 0.00 179.01 181.29 3g2j h LEU 291 N 0.78 1.02 -0.61 1.64 5.85 -1.98 0.20 115.31 122.21 3g2j h LEU 291 Ca 0.32 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 3g2j h LEU 291 Cb 0.16 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3g2j h LEU 291 CO -0.17 0.68 0.22 -0.09 -0.34 0.00 0.00 178.44 178.74 3g2j h ARG 292 N 1.17 0.93 -0.64 1.25 9.65 -1.78 -0.81 114.38 124.15 3g2j h ARG 292 Ca 0.40 -0.18 -0.04 0.00 -1.10 0.00 0.00 59.98 59.07 3g2j h ARG 292 Cb 0.09 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 3g2j h ARG 292 CO -0.14 0.80 0.26 1.25 2.80 0.00 0.00 179.97 184.94 3g2j h LEU 293 N 0.86 0.89 -0.77 3.80 5.85 -0.89 -0.77 115.31 124.28 3g2j h LEU 293 Ca 0.20 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3g2j h LEU 293 Cb 0.24 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3g2j h LEU 293 CO -0.01 0.81 0.49 0.11 -0.34 0.00 0.00 178.44 179.50 3g2j h LYS 294 N 0.90 0.93 -0.37 1.25 1.57 -0.67 0.07 116.57 120.25 3g2j h LYS 294 Ca 0.22 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3g2j h LYS 294 Cb 0.20 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3g2j h LYS 294 CO -0.02 0.61 0.24 1.96 -0.57 0.00 0.00 179.45 181.67 3g2j h GLN 295 N 0.96 0.47 -0.42 3.15 4.20 -0.73 0.17 115.11 122.90 3g2j h GLN 295 Ca 0.31 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 3g2j h GLN 295 Cb 0.01 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3g2j h GLN 295 CO -0.11 0.31 0.20 0.93 -0.67 0.00 0.00 178.83 179.49 3g2j h GLU 296 N 0.48 0.60 -0.36 1.46 5.08 -0.54 -1.98 114.58 119.32 3g2j h GLU 296 Ca 0.14 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 3g2j h GLU 296 Cb -0.04 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3g2j h GLU 296 CO -0.04 0.52 -0.39 -0.92 -1.00 0.00 0.00 179.01 177.18 3g2j h TYR 297 N 0.53 1.09 -0.37 4.33 3.20 -0.83 -2.95 116.97 121.97 3g2j h TYR 297 Ca 0.14 -0.34 0.07 0.00 3.14 0.00 0.00 58.73 61.75 3g2j h TYR 297 Cb 0.12 -0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.09 3g2j h TYR 297 CO -0.01 1.16 -0.05 0.35 -1.64 0.00 0.00 178.16 177.96 3g2j h PHE 298 N 0.72 -0.13 -0.29 -3.82 3.57 -0.41 0.32 116.94 116.90 3g2j h PHE 298 Ca 0.05 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 3g2j h PHE 298 Cb 0.99 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 3g2j h PHE 298 CO 0.07 -0.13 -0.35 -0.24 -2.23 0.00 0.00 178.31 175.43 3g2j h VAL 299 N 0.04 1.29 0.02 1.41 3.04 -1.40 -2.62 116.25 118.03 3g2j h VAL 299 Ca 0.18 -1.49 -0.00 0.00 -1.01 0.00 0.00 66.70 64.38 3g2j h VAL 299 Cb 0.27 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 3g2j h VAL 299 CO -0.35 0.48 -0.01 0.58 -1.01 0.00 0.00 177.57 177.25 3g2j h VAL 300 N 0.54 1.33 -0.16 1.51 2.07 -1.20 -1.69 116.25 118.64 3g2j h VAL 300 Ca 0.06 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 3g2j h VAL 300 Cb 0.86 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 3g2j h VAL 300 CO 0.07 0.28 0.09 0.00 0.02 0.00 0.00 177.57 178.04 3g2j h ALA 301 N 0.44 0.21 -0.47 1.67 0.00 -0.42 -0.64 119.26 120.05 3g2j h ALA 301 Ca -0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3g2j h ALA 301 Cb 0.49 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3g2j h ALA 301 CO 0.01 -0.27 0.04 0.00 0.00 0.00 0.00 179.25 179.02 3g2j h ALA 302 N 1.00 0.63 -0.28 0.00 0.00 -1.54 -2.72 119.26 116.35 3g2j h ALA 302 Ca 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3g2j h ALA 302 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3g2j h ALA 302 CO -0.01 0.40 0.14 1.15 0.00 0.00 0.00 179.25 180.93 3g2j h THR 303 N 0.67 1.14 -0.87 0.00 2.02 -1.18 -2.54 112.91 112.16 3g2j h THR 303 Ca 0.14 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3g2j h THR 303 Cb 0.45 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 3g2j h THR 303 CO 0.02 0.15 0.49 -0.07 0.37 0.00 0.00 175.52 176.48 3g2j h LEU 304 N 0.32 1.07 -0.79 2.58 3.38 -1.07 0.12 115.31 120.93 3g2j h LEU 304 Ca 0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3g2j h LEU 304 Cb 0.11 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3g2j h LEU 304 CO -0.01 0.85 0.47 1.56 0.09 0.00 0.00 178.44 181.39 3g2j h GLN 305 N 1.21 1.08 -0.41 1.13 4.20 -1.42 0.12 115.11 121.02 3g2j h GLN 305 Ca 0.31 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 3g2j h GLN 305 Cb -0.00 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 3g2j h GLN 305 CO -0.05 0.77 0.13 0.22 -0.67 0.00 0.00 178.83 179.22 3g2j h ASP 306 N 1.08 0.60 -0.47 1.46 -0.00 -0.92 -0.03 116.42 118.14 3g2j h ASP 306 Ca 0.28 -0.21 0.02 0.00 -0.00 0.00 0.00 57.03 57.12 3g2j h ASP 306 Cb -0.02 -0.16 -0.03 0.00 -0.00 0.00 0.00 39.33 39.12 3g2j h ASP 306 CO -0.05 0.65 0.28 0.40 -0.00 0.00 0.00 179.24 180.52 3g2j h ILE 307 N 0.52 1.06 -0.25 2.25 2.04 -0.45 -1.03 117.51 121.65 3g2j h ILE 307 Ca 0.13 -0.20 -0.15 0.00 1.00 0.00 0.00 64.86 65.65 3g2j h ILE 307 Cb 0.26 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3g2j h ILE 307 CO -0.00 0.10 -0.43 0.40 0.00 0.00 0.00 178.15 178.22 3g2j h ILE 308 N 0.57 1.30 -0.27 -0.67 2.04 -0.86 -1.01 117.51 118.61 3g2j h ILE 308 Ca 0.19 -1.64 0.06 0.00 1.00 0.00 0.00 64.86 64.47 3g2j h ILE 308 Cb 0.01 1.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 3g2j h ILE 308 CO -0.08 0.52 -0.09 -0.09 0.00 0.00 0.00 178.15 178.41 3g2j h ARG 309 N 0.46 -0.04 -0.51 2.37 2.43 -0.87 -0.46 114.38 117.75 3g2j h ARG 309 Ca 0.02 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3g2j h ARG 309 Cb 1.04 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 3g2j h ARG 309 CO 0.10 -0.02 0.15 -0.09 -1.51 0.00 0.00 179.97 178.59 3g2j h ARG 310 N -0.04 0.77 -0.52 0.20 2.43 -1.11 -1.70 114.38 114.42 3g2j h ARG 310 Ca 0.14 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3g2j h ARG 310 Cb 0.24 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3g2j h ARG 310 CO -0.30 0.68 -0.11 0.35 -1.51 0.00 0.00 179.97 179.08 3g2j h PHE 311 N 0.75 1.08 -0.00 2.20 3.57 -0.59 -3.12 116.94 120.83 3g2j h PHE 311 Ca 0.17 -0.22 -0.17 0.00 3.53 0.00 0.00 57.97 61.28 3g2j h PHE 311 Cb 0.24 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3g2j h PHE 311 CO 0.01 1.02 -0.78 0.87 -2.23 0.00 0.00 178.31 177.19 3g2j h LYS 312 N 0.87 0.02 -2.76 1.11 1.57 -0.81 -3.35 116.57 113.22 3g2j h LYS 312 Ca 0.14 -0.02 -0.76 0.00 -1.87 0.00 0.00 60.65 58.14 3g2j h LYS 312 Cb 0.66 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.82 3g2j h LYS 312 CO 0.05 0.79 2.08 0.43 -0.57 0.00 0.00 179.45 182.23 3g2j n SER 313 N -3.62 7.30 -0.05 0.86 7.64 -0.67 -5.04 113.62 120.05 3g2j n SER 313 Ca -0.01 -3.22 -0.05 0.00 1.01 0.00 0.00 58.87 56.60 3g2j n SER 313 Cb 0.76 -1.35 -0.02 0.00 -1.01 0.00 0.00 64.21 62.59 3g2j n SER 313 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3g2j n SER 314 N 1.88 1.17 0.00 6.43 7.64 -1.26 -4.93 113.62 124.56 3g2j n SER 314 Ca 0.54 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.72 3g2j n SER 314 Cb 0.27 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 3g2j n SER 314 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3g2j n THR 324 N -3.71 0.00 -2.66 0.44 -1.04 -1.26 -4.97 114.28 101.07 3g2j n THR 324 Ca -0.07 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.52 3g2j n THR 324 Cb 0.27 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.75 3g2j n THR 324 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3g2j s ASN 325 N 0.00 6.23 0.00 8.00 2.47 -1.26 -4.85 114.94 125.53 3g2j s ASN 325 Ca 0.00 -0.82 0.29 0.00 0.42 0.00 0.00 52.86 52.75 3g2j s ASN 325 Cb 0.00 -2.51 1.34 0.00 -1.45 0.00 0.00 41.25 38.63 3g2j s ASN 325 CO 0.00 -1.64 1.91 0.49 -3.72 0.00 0.00 177.10 174.14 3g2j n PHE 326 N 8.66 0.00 0.21 0.43 3.72 -1.26 -3.79 117.46 125.44 3g2j n PHE 326 Ca 0.06 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.52 3g2j n PHE 326 Cb 0.48 -0.01 0.57 0.00 -0.94 0.00 0.00 39.48 39.58 3g2j n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3g2j h ASP 327 N 1.45 0.07 0.58 4.37 3.32 -1.97 -1.66 116.42 122.58 3g2j h ASP 327 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g2j h ASP 327 Cb 0.32 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3g2j h ASP 327 CO 0.00 0.10 -0.27 0.00 -1.72 0.00 0.00 179.24 177.34 3g2j n ALA 328 N -2.52 3.04 -0.16 3.45 0.00 -1.25 -4.35 120.51 118.72 3g2j n ALA 328 Ca -0.02 -0.27 -0.06 0.00 0.00 0.00 0.00 53.44 53.09 3g2j n ALA 328 Cb 0.13 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.33 3g2j n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3g2j h PHE 329 N 0.22 -0.79 0.00 0.00 3.04 -1.51 0.29 116.94 118.18 3g2j h PHE 329 Ca 0.00 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.01 3g2j h PHE 329 Cb 0.47 0.42 0.00 0.00 2.56 0.00 0.00 35.95 39.40 3g2j h PHE 329 CO 0.00 -0.36 0.00 -1.35 -2.02 0.00 0.00 178.31 174.58 3g2j h PRO 330 N -0.18 0.00 0.00 6.41 0.11 -1.78 0.10 132.00 136.67 3g2j h PRO 330 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3g2j h PRO 330 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3g2j h PRO 330 CO -0.59 0.00 -0.25 -0.44 -0.21 0.00 0.00 178.00 176.50 3g2j h ASP 331 N 0.00 0.00 0.00 -2.05 3.32 -1.23 -3.35 116.42 113.11 3g2j h ASP 331 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3g2j h ASP 331 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3g2j h ASP 331 CO 0.00 0.01 -0.65 0.29 -1.72 0.00 0.00 179.24 177.17 3g2j n LYS 332 N -2.87 3.18 -3.91 3.56 4.76 -0.53 -4.45 118.16 117.90 3g2j n LYS 332 Ca 0.03 -0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.28 3g2j n LYS 332 Cb 0.52 -1.00 -0.16 0.00 -1.84 0.00 0.00 35.03 32.55 3g2j n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3g2j s VAL 333 N -2.04 0.17 -0.08 -0.18 1.01 0.25 -0.65 120.40 118.88 3g2j s VAL 333 Ca 0.02 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.15 3g2j s VAL 333 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 3g2j s VAL 333 CO 0.38 0.15 -0.22 0.00 0.00 0.00 0.00 175.10 175.41 3g2j s ALA 334 N 1.11 2.28 -0.22 5.51 0.00 0.55 -4.48 121.76 126.51 3g2j s ALA 334 Ca -0.08 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 3g2j s ALA 334 Cb -0.13 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.20 3g2j s ALA 334 CO -0.02 0.38 -0.11 0.42 0.00 0.00 0.00 175.76 176.43 3g2j s ILE 335 N -0.05 2.61 -0.26 0.00 1.01 -0.34 0.16 121.20 124.33 3g2j s ILE 335 Ca -0.06 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 3g2j s ILE 335 Cb -0.15 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 3g2j s ILE 335 CO 0.05 0.32 0.21 -1.58 0.00 0.00 0.00 174.94 173.94 3g2j s GLN 336 N 1.31 4.00 -0.47 2.79 2.00 0.91 -1.63 119.66 128.58 3g2j s GLN 336 Ca 0.02 -0.24 -0.21 0.00 -2.00 0.00 0.00 55.36 52.93 3g2j s GLN 336 Cb -0.15 -3.62 0.03 0.00 0.80 0.00 0.00 33.01 30.07 3g2j s GLN 336 CO -0.07 -0.11 0.69 -0.51 -0.50 0.00 0.00 175.29 174.78 3g2j s LEU 337 N 1.57 4.54 -0.84 3.68 1.43 0.29 -1.24 118.68 128.12 3g2j s LEU 337 Ca 0.09 -0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 52.47 3g2j s LEU 337 Cb -0.15 -2.69 0.03 0.00 0.03 0.00 0.00 46.19 43.41 3g2j s LEU 337 CO 0.09 -0.88 1.42 0.21 0.23 0.00 0.00 176.35 177.42 3g2j s ASN 338 N 2.30 6.15 0.63 2.29 2.47 -0.52 -1.68 114.94 126.58 3g2j s ASN 338 Ca 0.22 -0.75 0.00 0.00 0.42 0.00 0.00 52.86 52.75 3g2j s ASN 338 Cb -0.15 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 3g2j s ASN 338 CO 0.18 -1.82 0.00 -0.67 -3.72 0.00 0.00 177.10 171.07 3g2j n ASP 339 N 9.72 -3.67 -0.08 -4.21 4.64 -0.52 -4.15 116.55 118.29 3g2j n ASP 339 Ca 0.17 0.00 0.14 0.00 -1.38 0.00 0.00 54.79 53.72 3g2j n ASP 339 Cb 0.50 0.00 0.60 0.00 -1.04 0.00 0.00 41.12 41.17 3g2j n ASP 339 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 3g2j n THR 340 N -1.19 0.00 -0.30 5.18 -2.24 -1.26 -4.26 114.28 110.20 3g2j n THR 340 Ca 0.00 -0.04 0.08 0.00 -2.27 0.00 0.00 64.05 61.82 3g2j n THR 340 Cb 0.00 -0.15 0.24 0.00 -2.10 0.00 0.00 70.33 68.31 3g2j n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3g2j h HIS 341 N 0.39 0.79 -0.78 4.78 3.86 -1.96 0.17 115.15 122.40 3g2j h HIS 341 Ca 0.00 0.03 -0.30 0.00 -1.16 0.00 0.00 60.37 58.94 3g2j h HIS 341 Cb 0.38 -0.22 -0.18 0.00 1.06 0.00 0.00 27.41 28.45 3g2j h HIS 341 CO 0.00 0.18 0.38 -0.35 0.86 0.00 0.00 177.93 179.00 3g2j n PRO 342 N -4.87 3.12 0.21 2.45 -0.04 -1.26 -4.60 135.00 130.00 3g2j n PRO 342 Ca 0.18 -2.86 0.18 0.00 -0.04 0.00 0.00 63.50 60.96 3g2j n PRO 342 Cb 0.46 -2.15 0.83 0.00 -0.04 0.00 0.00 33.50 32.61 3g2j n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3g2j h SER 343 N 2.00 0.00 0.31 3.54 4.64 -0.91 -0.90 113.55 122.24 3g2j h SER 343 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3g2j h SER 343 Cb 2.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.51 3g2j h SER 343 CO 0.82 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.96 3g2j n LEU 344 N -3.73 0.23 -0.28 5.97 4.77 -1.26 -1.88 117.00 120.81 3g2j n LEU 344 Ca 0.02 0.58 0.14 0.00 -0.03 0.00 0.00 56.01 56.72 3g2j n LEU 344 Cb 0.35 -0.57 0.40 0.00 -2.33 0.00 0.00 43.42 41.26 3g2j n LEU 344 CO 0.27 -0.51 1.22 0.00 -1.33 0.00 0.00 177.39 177.03 3g2j h ALA 345 N 2.22 1.90 0.76 -1.18 0.00 -1.52 -0.28 119.26 121.16 3g2j h ALA 345 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3g2j h ALA 345 Cb 0.16 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.86 3g2j h ALA 345 CO 0.00 -0.19 -0.36 0.82 0.00 0.00 0.00 179.25 179.52 3g2j h ILE 346 N 0.63 0.00 0.00 0.00 2.04 -1.61 0.12 117.51 118.69 3g2j h ILE 346 Ca 0.49 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 66.11 3g2j h ILE 346 Cb 0.89 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3g2j h ILE 346 CO -0.24 0.00 -0.26 1.55 0.00 0.00 0.00 178.15 179.20 3g2j h PRO 347 N -1.19 0.00 -0.45 2.37 0.13 -1.74 -1.92 132.00 129.19 3g2j h PRO 347 Ca -0.10 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.94 3g2j h PRO 347 Cb 0.78 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 3g2j h PRO 347 CO 0.17 0.26 -0.06 1.49 -0.23 0.00 0.00 178.00 179.63 3g2j h GLU 348 N 0.00 0.84 -0.45 0.86 4.57 -1.01 0.22 114.58 119.61 3g2j h GLU 348 Ca -0.00 -0.30 -0.03 0.00 -1.18 0.00 0.00 59.36 57.85 3g2j h GLU 348 Cb 0.63 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 3g2j h GLU 348 CO 0.03 0.93 0.18 1.25 -1.18 0.00 0.00 179.01 180.22 3g2j h LEU 349 N 0.68 0.62 -0.39 1.64 5.85 -0.54 -1.27 115.31 121.90 3g2j h LEU 349 Ca 0.12 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.72 3g2j h LEU 349 Cb 0.59 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3g2j h LEU 349 CO 0.04 0.61 0.14 0.24 -0.34 0.00 0.00 178.44 179.13 3g2j h MET 350 N 0.58 0.29 0.03 1.25 2.86 -1.22 -0.51 114.93 118.22 3g2j h MET 350 Ca 0.15 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 3g2j h MET 350 Cb 0.19 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 3g2j h MET 350 CO -0.01 0.19 -0.16 -0.09 1.06 0.00 0.00 176.91 177.90 3g2j h ARG 351 N 0.30 -0.26 -0.04 1.72 2.43 -0.29 0.31 114.38 118.55 3g2j h ARG 351 Ca 0.18 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3g2j h ARG 351 Cb 0.16 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3g2j h ARG 351 CO -0.18 -0.18 0.02 0.28 -1.51 0.00 0.00 179.97 178.41 3g2j h VAL 352 N -0.27 1.02 -0.67 0.20 2.07 -1.11 0.27 116.25 117.75 3g2j h VAL 352 Ca 0.04 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3g2j h VAL 352 Cb 0.32 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3g2j h VAL 352 CO -0.13 0.01 0.34 -0.07 0.02 0.00 0.00 177.57 177.75 3g2j h LEU 353 N 0.04 0.85 0.00 2.57 3.38 -0.80 -0.61 115.31 120.75 3g2j h LEU 353 Ca 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3g2j h LEU 353 Cb 0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3g2j h LEU 353 CO -0.00 0.73 -0.20 0.58 0.09 0.00 0.00 178.44 179.64 3g2j h VAL 354 N 0.92 0.46 -0.07 1.22 2.07 -0.29 -0.85 116.25 119.70 3g2j h VAL 354 Ca 0.23 -1.39 -0.18 0.00 0.82 0.00 0.00 66.70 66.19 3g2j h VAL 354 Cb 0.08 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3g2j h VAL 354 CO -0.03 0.16 -0.72 0.44 0.02 0.00 0.00 177.57 177.44 3g2j h ASP 355 N -1.00 0.44 0.00 0.57 3.45 -0.58 -2.80 116.42 116.50 3g2j h ASP 355 Ca -0.03 -0.29 -0.32 0.00 0.43 0.00 0.00 57.03 56.83 3g2j h ASP 355 Cb 0.42 -0.13 -0.05 0.00 -0.56 0.00 0.00 39.33 39.00 3g2j h ASP 355 CO -0.02 1.02 -2.17 0.18 -1.57 0.00 0.00 179.24 176.68 3g2j n LEU 356 N -3.83 2.71 0.03 1.55 4.77 -0.64 -4.54 117.00 117.05 3g2j n LEU 356 Ca -0.04 -0.04 0.11 0.00 -0.03 0.00 0.00 56.01 56.02 3g2j n LEU 356 Cb 0.70 -0.70 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 3g2j n LEU 356 CO 0.47 0.77 0.13 -0.62 -1.33 0.00 0.00 177.39 176.82 3g2j n GLU 357 N -3.26 0.22 -1.41 3.23 -0.58 -0.33 -4.98 120.64 113.52 3g2j n GLU 357 Ca -0.37 0.01 -0.09 0.00 -0.42 0.00 0.00 57.16 56.28 3g2j n GLU 357 Cb 0.87 -1.58 -0.03 0.00 -0.57 0.00 0.00 31.44 30.12 3g2j n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3g2j n ARG 358 N -1.87 -0.67 -1.88 3.49 5.12 -0.78 -4.97 116.66 115.10 3g2j n ARG 358 Ca 0.03 0.77 -0.35 0.00 -1.93 0.00 0.00 57.85 56.37 3g2j n ARG 358 Cb 0.41 -4.69 0.05 0.00 -1.16 0.00 0.00 32.46 27.06 3g2j n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3g2j s LEU 359 N -2.24 3.58 0.63 0.55 1.02 -0.40 -4.97 118.68 116.85 3g2j s LEU 359 Ca 0.00 2.37 -0.15 0.00 0.02 0.00 0.00 54.13 56.36 3g2j s LEU 359 Cb 0.00 -4.59 -0.02 0.00 0.02 0.00 0.00 46.19 41.60 3g2j s LEU 359 CO 0.00 -1.73 1.09 1.51 0.02 0.00 0.00 176.35 177.24 3g2j s ASP 360 N -1.73 5.41 0.14 2.29 1.47 -1.26 -4.40 116.67 118.58 3g2j s ASP 360 Ca 0.76 1.92 -0.23 0.00 1.18 0.00 0.00 52.55 56.18 3g2j s ASP 360 Cb -0.30 -2.54 0.01 0.00 -0.34 0.00 0.00 42.92 39.75 3g2j s ASP 360 CO 0.36 -1.42 1.63 -0.25 0.68 0.00 0.00 175.17 176.17 3g2j h TRP 361 N 0.22 -0.66 -0.69 2.11 2.91 -1.97 -1.63 115.95 116.24 3g2j h TRP 361 Ca -0.47 0.04 -0.02 0.00 1.13 0.00 0.00 58.89 59.57 3g2j h TRP 361 Cb 1.24 0.32 -0.03 0.00 -0.51 0.00 0.00 29.16 30.17 3g2j h TRP 361 CO 0.56 -0.33 0.36 -0.44 -1.03 0.00 0.00 178.44 177.56 3g2j h ASP 362 N -0.28 0.87 -0.18 2.65 3.45 -1.99 0.20 116.42 121.13 3g2j h ASP 362 Ca 0.12 -0.08 -0.10 0.00 0.43 0.00 0.00 57.03 57.40 3g2j h ASP 362 Cb 0.47 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3g2j h ASP 362 CO -0.36 0.72 -0.27 0.50 -1.57 0.00 0.00 179.24 178.26 3g2j h LYS 363 N 0.97 0.51 -0.63 3.56 1.63 -1.89 -1.88 116.57 118.83 3g2j h LYS 363 Ca 0.24 -0.30 0.05 0.00 -0.85 0.00 0.00 60.65 59.79 3g2j h LYS 363 Cb 0.06 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.67 3g2j h LYS 363 CO -0.04 0.90 0.36 0.00 -3.45 0.00 0.00 179.45 177.22 3g2j h ALA 364 N 0.61 0.84 -0.72 5.00 0.00 -0.81 -1.30 119.26 122.87 3g2j h ALA 364 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3g2j h ALA 364 Cb 0.85 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3g2j h ALA 364 CO 0.06 0.06 0.42 2.35 0.00 0.00 0.00 179.25 182.14 3g2j h TRP 365 N 0.68 0.97 -0.46 0.00 2.91 -0.58 0.48 115.95 119.96 3g2j h TRP 365 Ca 0.28 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.28 3g2j h TRP 365 Cb 0.13 -0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 28.44 3g2j h TRP 365 CO -0.07 0.67 0.26 1.49 -1.03 0.00 0.00 178.44 179.76 3g2j h GLU 366 N 0.99 0.64 0.03 2.65 4.81 -0.91 -0.41 114.58 122.37 3g2j h GLU 366 Ca 0.26 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3g2j h GLU 366 Cb -0.00 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.25 3g2j h GLU 366 CO -0.05 0.49 -0.01 0.28 -0.73 0.00 0.00 179.01 178.99 3g2j h VAL 367 N 0.61 1.02 0.04 0.32 2.07 -0.91 -2.14 116.25 117.27 3g2j h VAL 367 Ca 0.16 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.56 3g2j h VAL 367 Cb 0.03 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3g2j h VAL 367 CO -0.03 0.04 -0.27 0.74 0.02 0.00 0.00 177.57 178.07 3g2j h THR 368 N -0.11 0.39 -0.47 2.57 2.02 -0.69 -0.87 112.91 115.76 3g2j h THR 368 Ca -0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 3g2j h THR 368 Cb 0.09 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 3g2j h THR 368 CO 0.01 0.00 0.22 0.58 0.37 0.00 0.00 175.52 176.70 3g2j h VAL 369 N -0.44 0.94 0.00 3.16 2.07 -1.05 0.00 116.25 120.93 3g2j h VAL 369 Ca 0.05 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 3g2j h VAL 369 Cb 0.50 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3g2j h VAL 369 CO -0.21 0.08 -0.02 0.11 0.02 0.00 0.00 177.57 177.55 3g2j h LYS 370 N 0.44 0.00 0.17 1.57 1.57 -1.17 -1.09 116.57 118.07 3g2j h LYS 370 Ca 0.21 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.64 3g2j h LYS 370 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3g2j h LYS 370 CO -0.16 0.02 -1.77 1.15 -0.57 0.00 0.00 179.45 178.12 3g2j h THR 371 N 0.00 0.91 -3.11 -0.16 2.02 -0.12 -3.46 112.91 108.98 3g2j h THR 371 Ca -0.00 -2.52 -0.59 0.00 0.77 0.00 0.00 66.41 64.07 3g2j h THR 371 Cb 0.51 2.72 -0.05 0.00 -1.74 0.00 0.00 68.15 69.60 3g2j h THR 371 CO 0.00 0.86 -0.21 0.00 0.37 0.00 0.00 175.52 176.55 3g2j s ALA 373 N -1.30 0.19 -0.07 0.00 0.00 -0.64 -1.61 121.76 118.33 3g2j s ALA 373 Ca 0.30 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.60 3g2j s ALA 373 Cb -0.15 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.15 3g2j s ALA 373 CO 0.17 -0.19 -0.11 -0.47 0.00 0.00 0.00 175.76 175.16 3g2j s TYR 374 N -1.82 1.40 -0.23 0.00 6.04 -0.10 -0.54 117.35 122.09 3g2j s TYR 374 Ca -0.13 -0.52 -0.07 0.00 0.04 0.00 0.00 57.07 56.40 3g2j s TYR 374 Cb -0.07 -1.04 -0.03 0.00 -1.04 0.00 0.00 41.96 39.78 3g2j s TYR 374 CO -0.02 -0.29 0.05 0.99 -1.54 0.00 0.00 175.55 174.74 3g2j s THR 375 N 0.76 4.21 -0.06 4.34 2.01 -0.67 -1.36 115.64 124.87 3g2j s THR 375 Ca -0.13 -0.21 -0.16 0.00 0.31 0.00 0.00 61.69 61.50 3g2j s THR 375 Cb -0.15 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 3g2j s THR 375 CO 0.03 0.37 0.41 0.21 -0.69 0.00 0.00 174.62 174.95 3g2j s ASN 376 N 1.40 6.72 0.00 3.53 3.84 -0.18 -1.43 114.94 128.82 3g2j s ASN 376 Ca 0.05 0.86 0.00 0.00 0.21 0.00 0.00 52.86 53.98 3g2j s ASN 376 Cb -0.15 -2.25 0.00 0.00 -0.55 0.00 0.00 41.25 38.30 3g2j s ASN 376 CO 0.03 0.20 0.77 1.41 -2.79 0.00 0.00 177.10 176.72 3g2j n HIS 377 N 2.60 0.00 -3.54 0.43 8.25 -1.26 -4.13 115.22 117.58 3g2j n HIS 377 Ca -0.12 -0.27 -0.12 0.00 -0.26 0.00 0.00 57.72 56.96 3g2j n HIS 377 Cb 0.52 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.56 3g2j n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3g2j s THR 378 N -0.54 0.00 -0.73 1.59 -1.32 -1.26 -4.55 115.64 108.82 3g2j s THR 378 Ca 0.00 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.55 3g2j s THR 378 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 3g2j s THR 378 CO 0.00 0.00 0.58 1.33 -2.21 0.00 0.00 174.62 174.32 3g2j n VAL 379 N 0.43 0.00 -1.92 5.08 0.24 -1.26 -5.00 118.33 115.90 3g2j n VAL 379 Ca -0.12 -0.44 -0.42 0.00 -2.04 0.00 0.00 64.34 61.31 3g2j n VAL 379 Cb 0.59 1.10 -0.03 0.00 -1.47 0.00 0.00 33.84 34.04 3g2j n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g2j s LEU 380 N -1.22 4.36 0.26 1.34 1.43 -1.26 -4.90 118.68 118.68 3g2j s LEU 380 Ca 0.07 2.38 -0.02 0.00 -1.03 0.00 0.00 54.13 55.52 3g2j s LEU 380 Cb 0.06 -3.54 0.46 0.00 0.03 0.00 0.00 46.19 43.21 3g2j s LEU 380 CO 0.16 -0.95 1.81 1.55 0.23 0.00 0.00 176.35 179.15 3g2j h PRO 381 N 9.55 0.81 0.00 1.29 0.13 -1.97 -1.49 132.00 140.31 3g2j h PRO 381 Ca -0.42 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3g2j h PRO 381 Cb 1.20 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3g2j h PRO 381 CO 0.95 0.53 0.00 1.05 -0.23 0.00 0.00 178.00 180.30 3g2j h GLU 382 N 0.83 0.00 0.00 0.86 9.09 -1.91 -2.28 114.58 121.17 3g2j h GLU 382 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 3g2j h GLU 382 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 3g2j h GLU 382 CO -0.27 0.00 -0.38 0.00 0.05 0.00 0.00 179.01 178.41 3g2j h ALA 383 N 2.14 0.78 -2.60 1.06 0.00 -1.46 0.37 119.26 119.55 3g2j h ALA 383 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3g2j h ALA 383 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3g2j h ALA 383 CO 0.00 0.00 0.51 -0.51 0.00 0.00 0.00 179.25 179.25 3g2j s LEU 384 N -5.09 4.44 -0.24 0.00 1.43 -0.86 -4.24 118.68 114.13 3g2j s LEU 384 Ca 0.06 2.08 -0.28 0.00 -1.03 0.00 0.00 54.13 54.96 3g2j s LEU 384 Cb 0.10 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.73 3g2j s LEU 384 CO 0.69 -0.32 1.01 -1.61 0.23 0.00 0.00 176.35 176.36 3g2j s GLU 385 N 0.09 4.23 -0.35 1.70 2.02 -1.26 -4.77 118.70 120.37 3g2j s GLU 385 Ca 0.53 1.28 -0.00 0.00 0.02 0.00 0.00 54.97 56.79 3g2j s GLU 385 Cb -0.30 -3.65 0.12 0.00 0.10 0.00 0.00 34.13 30.40 3g2j s GLU 385 CO 0.33 -0.64 0.17 1.03 0.02 0.00 0.00 175.26 176.18 3g2j s ARG 386 N 3.18 0.71 -0.09 1.61 0.52 -1.26 -2.12 118.95 121.50 3g2j s ARG 386 Ca 0.43 -1.27 -0.28 0.00 -0.52 0.00 0.00 55.73 54.09 3g2j s ARG 386 Cb -0.15 -1.73 -0.02 0.00 0.52 0.00 0.00 34.95 33.57 3g2j s ARG 386 CO 0.07 -1.10 0.94 -1.58 0.02 0.00 0.00 175.30 173.65 3g2j s TRP 387 N 1.25 3.53 0.25 -0.53 0.52 -0.73 -4.73 118.94 118.50 3g2j s TRP 387 Ca 0.14 1.52 -0.31 0.00 0.02 0.00 0.00 56.10 57.47 3g2j s TRP 387 Cb -0.20 -3.11 -0.13 0.00 -1.15 0.00 0.00 33.47 28.88 3g2j s TRP 387 CO -0.14 -0.15 1.38 -2.30 0.02 0.00 0.00 176.95 175.76 3g2j n PRO 388 N 4.69 1.99 -0.21 4.98 -0.02 -1.26 -0.13 135.00 145.05 3g2j n PRO 388 Ca 0.06 0.71 0.02 0.00 -2.02 0.00 0.00 63.50 62.28 3g2j n PRO 388 Cb 0.49 -2.35 0.28 0.00 -0.02 0.00 0.00 33.50 31.90 3g2j n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3g2j h VAL 389 N 2.97 1.14 -0.14 -1.45 2.07 -1.11 -2.56 116.25 117.17 3g2j h VAL 389 Ca -0.45 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 3g2j h VAL 389 Cb 1.28 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3g2j h VAL 389 CO 0.74 0.17 -0.08 1.12 0.02 0.00 0.00 177.57 179.54 3g2j h HIS 390 N 0.94 0.21 -0.11 1.57 2.07 -1.90 0.18 115.15 118.10 3g2j h HIS 390 Ca 0.29 -0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.79 3g2j h HIS 390 Cb 0.01 -0.06 -0.00 0.00 2.57 0.00 0.00 27.41 29.92 3g2j h HIS 390 CO -0.00 0.29 0.04 -0.07 -3.07 0.00 0.00 177.93 175.12 3g2j h LEU 391 N 0.20 0.16 -0.69 6.12 3.38 -1.83 -2.73 115.31 119.91 3g2j h LEU 391 Ca 0.04 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 3g2j h LEU 391 Cb 0.28 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3g2j h LEU 391 CO 0.01 0.30 -0.36 -0.07 0.09 0.00 0.00 178.44 178.42 3g2j h LEU 392 N 0.01 0.63 -0.34 1.67 3.38 -1.40 -0.35 115.31 118.91 3g2j h LEU 392 Ca 0.04 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.81 3g2j h LEU 392 Cb 0.20 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 3g2j h LEU 392 CO -0.00 0.93 -0.04 -0.08 0.09 0.00 0.00 178.44 179.34 3g2j h GLU 393 N 0.51 0.05 0.02 1.13 4.81 -0.65 0.24 114.58 120.68 3g2j h GLU 393 Ca 0.05 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3g2j h GLU 393 Cb 0.85 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.22 3g2j h GLU 393 CO 0.07 0.03 -0.01 1.15 -0.73 0.00 0.00 179.01 179.52 3g2j h THR 394 N 0.05 1.46 0.02 0.32 2.02 -1.38 -3.25 112.91 112.16 3g2j h THR 394 Ca 0.16 -1.66 -0.21 0.00 0.77 0.00 0.00 66.41 65.47 3g2j h THR 394 Cb 0.24 2.55 0.02 0.00 -1.74 0.00 0.00 68.15 69.22 3g2j h THR 394 CO -0.31 0.42 -0.85 0.25 0.37 0.00 0.00 175.52 175.40 3g2j h LEU 395 N -0.77 0.71 -6.00 2.58 5.85 -1.01 -3.36 115.31 113.31 3g2j h LEU 395 Ca -0.00 -0.77 -0.55 0.00 0.84 0.00 0.00 57.88 57.40 3g2j h LEU 395 Cb 0.70 -0.22 -0.39 0.00 0.37 0.00 0.00 40.66 41.12 3g2j h LEU 395 CO 0.00 1.39 -1.09 0.18 -0.34 0.00 0.00 178.44 178.59 3g2j n LEU 396 N -4.03 0.60 -0.30 2.25 4.77 0.82 0.05 117.00 121.15 3g2j n LEU 396 Ca -0.11 -4.82 -0.00 0.00 -0.03 0.00 0.00 56.01 51.05 3g2j n LEU 396 Cb 0.79 0.55 0.18 0.00 -2.33 0.00 0.00 43.42 42.62 3g2j n LEU 396 CO 0.51 2.12 1.27 1.55 -1.33 0.00 0.00 177.39 181.51 3g2j h PRO 397 N 3.80 1.14 -0.51 3.23 0.13 -1.56 -1.81 132.00 136.42 3g2j h PRO 397 Ca 0.09 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 65.04 3g2j h PRO 397 Cb 0.88 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 3g2j h PRO 397 CO 0.50 0.76 -0.12 -0.09 -0.23 0.00 0.00 178.00 178.82 3g2j h ARG 398 N 1.18 0.97 -0.59 0.86 9.65 -1.90 -2.67 114.38 121.87 3g2j h ARG 398 Ca 0.33 -0.35 -0.09 0.00 -1.10 0.00 0.00 59.98 58.77 3g2j h ARG 398 Cb -0.09 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.40 3g2j h ARG 398 CO -0.08 1.02 0.02 0.45 2.80 0.00 0.00 179.97 184.19 3g2j h HIS 399 N 0.86 1.10 -0.42 2.20 3.86 -1.75 -1.06 115.15 119.94 3g2j h HIS 399 Ca 0.13 -0.17 0.03 0.00 -1.16 0.00 0.00 60.37 59.20 3g2j h HIS 399 Cb 0.67 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 3g2j h HIS 399 CO 0.04 0.96 0.21 1.25 0.86 0.00 0.00 177.93 181.26 3g2j h LEU 400 N 0.94 0.32 -0.73 2.43 6.46 -1.30 0.14 115.31 123.56 3g2j h LEU 400 Ca 0.17 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.98 3g2j h LEU 400 Cb 0.51 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 3g2j h LEU 400 CO 0.02 0.23 0.47 1.56 -0.62 0.00 0.00 178.44 180.10 3g2j h GLN 401 N 0.43 0.89 -0.54 1.25 4.20 -1.09 -0.51 115.11 119.75 3g2j h GLN 401 Ca 0.18 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 3g2j h GLN 401 Cb 0.07 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3g2j h GLN 401 CO -0.12 0.59 -0.04 0.82 -0.67 0.00 0.00 178.83 179.41 3g2j h ILE 402 N 0.92 1.26 -0.70 2.54 2.04 -0.81 -2.08 117.51 120.69 3g2j h ILE 402 Ca 0.29 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 3g2j h ILE 402 Cb -0.01 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3g2j h ILE 402 CO -0.10 0.41 0.23 0.40 0.00 0.00 0.00 178.15 179.09 3g2j h ILE 403 N 0.87 1.25 -0.23 -0.67 2.04 0.15 0.11 117.51 121.03 3g2j h ILE 403 Ca 0.15 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 3g2j h ILE 403 Cb 0.57 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3g2j h ILE 403 CO 0.03 0.34 0.12 1.88 0.00 0.00 0.00 178.15 180.53 3g2j h TYR 404 N 1.02 0.32 -0.35 1.37 0.05 -0.96 0.11 116.97 118.53 3g2j h TYR 404 Ca 0.23 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.01 3g2j h TYR 404 Cb 0.29 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 3g2j h TYR 404 CO 0.02 0.29 0.21 1.49 -1.05 0.00 0.00 178.16 179.12 3g2j h GLU 405 N 0.26 0.42 -0.49 4.88 4.57 -1.10 0.38 114.58 123.50 3g2j h GLU 405 Ca 0.08 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.29 3g2j h GLU 405 Cb 0.07 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.52 3g2j h GLU 405 CO -0.01 0.28 0.20 0.82 -1.18 0.00 0.00 179.01 179.11 3g2j h ILE 406 N 0.43 0.87 -0.34 2.32 2.04 -0.63 -2.15 117.51 120.06 3g2j h ILE 406 Ca 0.13 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3g2j h ILE 406 Cb -0.01 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3g2j h ILE 406 CO -0.05 0.07 0.21 -1.13 0.00 0.00 0.00 178.15 177.25 3g2j h ASN 407 N 0.39 0.41 -0.16 1.72 -1.24 0.07 -0.46 115.58 116.30 3g2j h ASN 407 Ca 0.23 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 3g2j h ASN 407 Cb 0.21 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 3g2j h ASN 407 CO -0.21 0.33 0.09 -0.61 -1.29 0.00 0.00 177.43 175.74 3g2j h GLN 408 N 0.44 0.22 -0.60 6.67 4.15 -0.79 0.18 115.11 125.39 3g2j h GLN 408 Ca 0.12 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.44 3g2j h GLN 408 Cb -0.00 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 3g2j h GLN 408 CO -0.02 0.20 0.06 0.00 -1.93 0.00 0.00 178.83 177.14 3g2j h ARG 409 N 0.17 0.99 -0.31 1.69 3.08 -1.27 -0.54 114.38 118.18 3g2j h ARG 409 Ca 0.06 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 3g2j h ARG 409 Cb 0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3g2j h ARG 409 CO -0.01 0.93 0.04 0.35 -1.07 0.00 0.00 179.97 180.21 3g2j h PHE 410 N 0.92 0.55 0.00 3.04 3.57 -0.83 -2.64 116.94 121.56 3g2j h PHE 410 Ca 0.18 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 3g2j h PHE 410 Cb 0.45 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3g2j h PHE 410 CO 0.03 0.61 -0.34 -0.07 -2.23 0.00 0.00 178.31 176.31 3g2j h LEU 411 N 0.33 0.00 -0.85 0.59 3.38 -0.42 -1.78 115.31 116.57 3g2j h LEU 411 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3g2j h LEU 411 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3g2j h LEU 411 CO 0.01 0.34 0.10 0.78 0.09 0.00 0.00 178.44 179.76 3g2j h ASN 412 N 0.00 0.91 -0.56 -0.43 -0.26 -0.99 -0.11 115.58 114.15 3g2j h ASN 412 Ca -0.00 -0.20 -0.07 0.00 -0.56 0.00 0.00 56.30 55.46 3g2j h ASN 412 Cb 0.64 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.64 3g2j h ASN 412 CO 0.04 0.91 0.08 0.03 -1.06 0.00 0.00 177.43 177.43 3g2j h ARG 413 N 0.91 0.97 -0.26 0.81 3.08 -0.99 -1.49 114.38 117.41 3g2j h ARG 413 Ca 0.19 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 3g2j h ARG 413 Cb 0.39 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3g2j h ARG 413 CO 0.01 0.91 -0.12 0.28 -1.07 0.00 0.00 179.97 179.99 3g2j h VAL 414 N 0.91 1.30 -0.80 2.04 2.07 -1.07 -2.03 116.25 118.68 3g2j h VAL 414 Ca 0.18 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 3g2j h VAL 414 Cb 0.43 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 3g2j h VAL 414 CO 0.01 0.37 0.50 0.00 0.02 0.00 0.00 177.57 178.47 3g2j h ALA 415 N 0.74 1.37 0.00 1.67 0.00 -0.93 0.34 119.26 122.44 3g2j h ALA 415 Ca 0.06 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3g2j h ALA 415 Cb 0.62 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3g2j h ALA 415 CO 0.04 0.56 -0.54 0.00 0.00 0.00 0.00 179.25 179.30 3g2j h ALA 416 N 1.45 1.05 0.03 0.00 0.00 -1.18 -2.73 119.26 117.87 3g2j h ALA 416 Ca 0.29 -0.49 -0.29 0.00 0.00 0.00 0.00 54.91 54.41 3g2j h ALA 416 Cb -0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3g2j h ALA 416 CO -0.06 0.68 -1.64 0.00 0.00 0.00 0.00 179.25 178.24 3g2j h ALA 417 N 1.46 0.61 -2.19 0.00 0.00 -0.65 -3.40 119.26 115.09 3g2j h ALA 417 Ca -0.01 -1.34 -0.58 0.00 0.00 0.00 0.00 54.91 52.98 3g2j h ALA 417 Cb 0.99 0.41 -0.40 0.00 0.00 0.00 0.00 17.79 18.79 3g2j h ALA 417 CO 0.07 1.45 -0.83 1.19 0.00 0.00 0.00 179.25 181.13 3g2j n PHE 418 N -3.20 1.65 -1.94 0.00 3.72 0.11 -5.09 117.46 112.71 3g2j n PHE 418 Ca -0.17 -3.86 -0.41 0.00 -0.05 0.00 0.00 57.45 52.96 3g2j n PHE 418 Cb 1.04 -0.42 -0.02 0.00 -0.94 0.00 0.00 39.48 39.14 3g2j n PHE 418 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3g2j s PRO 419 N -1.70 4.22 0.00 -1.08 0.02 -1.03 -2.23 135.00 133.20 3g2j s PRO 419 Ca 0.36 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.77 3g2j s PRO 419 Cb 0.14 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.59 3g2j s PRO 419 CO -0.08 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.55 3g2j n GLY 420 N 1.80 2.08 3.44 0.52 0.00 -1.26 -4.95 105.19 106.82 3g2j n GLY 420 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3g2j n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3g2j n ASP 421 N 0.00 4.92 0.08 1.61 4.64 -0.95 -4.80 116.55 122.05 3g2j n ASP 421 Ca 0.00 -2.94 -0.03 0.00 -1.38 0.00 0.00 54.79 50.44 3g2j n ASP 421 Cb 0.00 -1.68 0.20 0.00 -1.04 0.00 0.00 41.12 38.60 3g2j n ASP 421 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 3g2j h VAL 422 N 5.09 1.31 -0.24 5.18 -1.51 -1.92 -2.88 116.25 121.27 3g2j h VAL 422 Ca 0.42 -1.55 -0.13 0.00 -1.23 0.00 0.00 66.70 64.22 3g2j h VAL 422 Cb 0.84 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 31.66 3g2j h VAL 422 CO 1.45 0.47 -0.37 -0.78 -1.23 0.00 0.00 177.57 177.10 3g2j h ASP 423 N 0.25 0.57 -0.45 4.19 3.58 -2.00 -2.67 116.42 119.88 3g2j h ASP 423 Ca 0.02 -0.24 0.04 0.00 0.42 0.00 0.00 57.03 57.27 3g2j h ASP 423 Cb 0.85 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.70 3g2j h ASP 423 CO 0.07 0.89 0.22 -0.09 -2.88 0.00 0.00 179.24 177.45 3g2j h ARG 424 N 0.45 0.42 -0.83 0.28 2.43 -1.92 -0.16 114.38 115.05 3g2j h ARG 424 Ca 0.04 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.30 3g2j h ARG 424 Cb 0.86 -0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.23 3g2j h ARG 424 CO 0.07 0.28 0.46 -0.07 -1.51 0.00 0.00 179.97 179.20 3g2j h LEU 425 N 0.44 0.62 -0.33 3.80 3.38 -1.31 0.96 115.31 122.87 3g2j h LEU 425 Ca 0.20 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 3g2j h LEU 425 Cb 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3g2j h LEU 425 CO -0.14 0.32 -0.12 -0.09 0.09 0.00 0.00 178.44 178.49 3g2j h ARG 426 N 0.73 0.66 0.00 1.13 2.43 -1.07 -2.09 114.38 116.17 3g2j h ARG 426 Ca 0.42 -0.27 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 3g2j h ARG 426 Cb 0.48 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3g2j h ARG 426 CO -0.29 0.86 -0.42 0.00 -1.51 0.00 0.00 179.97 178.61 3g2j h ARG 427 N 0.44 0.00 0.00 0.20 3.08 -0.35 -3.22 114.38 114.53 3g2j h ARG 427 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3g2j h ARG 427 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3g2j h ARG 427 CO 0.04 0.42 -1.14 -1.33 -1.07 0.00 0.00 179.97 176.88 3g2j n MET 428 N -4.04 0.32 -1.61 0.04 2.81 0.27 -4.95 117.12 109.95 3g2j n MET 428 Ca -0.02 -0.02 -0.43 0.00 -1.81 0.00 0.00 57.70 55.42 3g2j n MET 428 Cb 0.44 -1.59 -0.01 0.00 -0.71 0.00 0.00 33.22 31.36 3g2j n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3g2j n SER 429 N -1.99 1.55 0.17 7.83 2.88 -0.79 -4.87 113.62 118.39 3g2j n SER 429 Ca 0.01 1.15 0.03 0.00 -1.33 0.00 0.00 58.87 58.73 3g2j n SER 429 Cb 0.45 -1.34 0.24 0.00 -0.75 0.00 0.00 64.21 62.81 3g2j n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3g2j h LEU 430 N 1.97 0.00 -8.84 2.46 3.38 -1.90 -3.42 115.31 108.96 3g2j h LEU 430 Ca -0.42 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.91 3g2j h LEU 430 Cb 1.33 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.93 3g2j h LEU 430 CO 0.60 0.47 -0.18 -0.69 0.09 0.00 0.00 178.44 178.73 3g2j s VAL 431 N -3.48 5.12 -0.17 1.22 1.01 -1.26 0.18 120.40 123.03 3g2j s VAL 431 Ca 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 3g2j s VAL 431 Cb 0.11 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 3g2j s VAL 431 CO 0.71 -0.02 0.22 -1.83 0.00 0.00 0.00 175.10 174.19 3g2j s GLU 432 N 2.16 4.16 0.53 2.72 -1.05 0.96 -4.97 118.70 123.22 3g2j s GLU 432 Ca 0.16 -0.03 -0.12 0.00 -0.15 0.00 0.00 54.97 54.83 3g2j s GLU 432 Cb -0.16 -3.40 -0.05 0.00 -0.44 0.00 0.00 34.13 30.08 3g2j s GLU 432 CO 0.11 0.31 0.93 -1.21 0.95 0.00 0.00 175.26 176.36 3g2j s GLU 433 N 0.27 3.72 0.00 -4.83 0.41 -1.26 -2.07 118.70 114.94 3g2j s GLU 433 Ca 0.13 0.67 0.00 0.00 -0.41 0.00 0.00 54.97 55.36 3g2j s GLU 433 Cb -0.12 -2.20 0.00 0.00 -1.78 0.00 0.00 34.13 30.03 3g2j s GLU 433 CO 0.02 -0.33 0.00 0.41 -0.49 0.00 0.00 175.26 174.87 3g2j n GLY 434 N -2.08 -0.77 0.34 -1.39 0.00 -1.26 -4.93 105.19 95.09 3g2j n GLY 434 Ca 0.05 -1.50 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 3g2j n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g2j h ALA 435 N 0.00 -0.12 -3.32 4.61 0.00 -2.06 -3.33 119.26 115.03 3g2j h ALA 435 Ca 0.00 0.13 -0.64 0.00 0.00 0.00 0.00 54.91 54.39 3g2j h ALA 435 Cb 0.00 0.73 -0.19 0.00 0.00 0.00 0.00 17.79 18.33 3g2j h ALA 435 CO 0.00 -0.70 -0.64 0.14 0.00 0.00 0.00 179.25 178.05 3g2j s VAL 436 N -6.00 4.12 0.30 0.00 -7.23 -1.26 -5.10 120.40 105.23 3g2j s VAL 436 Ca -0.15 -0.29 -0.29 0.00 -1.81 0.00 0.00 61.98 59.45 3g2j s VAL 436 Cb 0.14 -2.80 -0.10 0.00 0.56 0.00 0.00 36.38 34.19 3g2j s VAL 436 CO 0.68 0.52 1.12 -0.54 -0.31 0.00 0.00 175.10 176.56 3g2j s LYS 437 N 0.05 4.55 0.10 4.82 1.02 -1.25 -4.85 119.74 124.18 3g2j s LYS 437 Ca 0.01 1.82 0.04 0.00 0.02 0.00 0.00 55.97 57.86 3g2j s LYS 437 Cb -0.13 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 3g2j s LYS 437 CO 0.02 0.12 -0.11 1.03 -0.92 0.00 0.00 175.35 175.50 3g2j s ARG 438 N -1.61 0.87 -0.22 1.68 0.52 -0.88 -0.48 118.95 118.84 3g2j s ARG 438 Ca 0.47 -1.17 -0.12 0.00 -0.52 0.00 0.00 55.73 54.39 3g2j s ARG 438 Cb -0.32 -0.59 -0.05 0.00 0.52 0.00 0.00 34.95 34.52 3g2j s ARG 438 CO 0.41 0.10 0.22 0.42 0.02 0.00 0.00 175.30 176.46 3g2j s ILE 439 N -2.39 5.33 -0.50 1.52 -1.09 0.82 -0.03 121.20 124.85 3g2j s ILE 439 Ca 0.06 0.33 -0.27 0.00 -2.23 0.00 0.00 60.65 58.54 3g2j s ILE 439 Cb -0.03 -3.56 0.03 0.00 -1.58 0.00 0.00 42.46 37.32 3g2j s ILE 439 CO 0.00 0.34 1.02 0.21 -1.23 0.00 0.00 174.94 175.29 3g2j s ASN 440 N 0.93 6.49 0.29 3.58 3.84 0.13 -1.77 114.94 128.43 3g2j s ASN 440 Ca 0.11 0.11 0.09 0.00 0.21 0.00 0.00 52.86 53.38 3g2j s ASN 440 Cb -0.13 -2.49 0.44 0.00 -0.55 0.00 0.00 41.25 38.52 3g2j s ASN 440 CO 0.04 -1.20 1.67 0.24 -2.79 0.00 0.00 177.10 175.06 3g2j h MET 441 N 9.24 0.10 -0.68 0.43 2.86 -1.73 -2.01 114.93 123.13 3g2j h MET 441 Ca -0.24 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 3g2j h MET 441 Cb 1.07 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 3g2j h MET 441 CO 1.09 0.59 0.43 0.00 1.06 0.00 0.00 176.91 180.08 3g2j h ALA 442 N 1.40 0.87 -0.55 6.32 0.00 -1.91 -0.29 119.26 125.10 3g2j h ALA 442 Ca -0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3g2j h ALA 442 Cb 0.94 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3g2j h ALA 442 CO 0.07 0.32 0.09 0.45 0.00 0.00 0.00 179.25 180.18 3g2j h HIS 443 N 0.93 0.96 -0.36 0.00 3.86 -1.83 -1.36 115.15 117.35 3g2j h HIS 443 Ca 0.25 -0.13 0.06 0.00 -1.16 0.00 0.00 60.37 59.38 3g2j h HIS 443 Cb -0.06 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.09 3g2j h HIS 443 CO -0.02 0.85 0.06 1.25 0.86 0.00 0.00 177.93 180.93 3g2j h LEU 444 N 0.79 -0.01 -0.46 2.43 6.46 -1.11 -1.97 115.31 121.43 3g2j h LEU 444 Ca 0.17 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 3g2j h LEU 444 Cb 0.41 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 3g2j h LEU 444 CO 0.01 0.03 0.30 0.00 -0.62 0.00 0.00 178.44 178.16 3g2j h ILE 446 N 0.62 1.19 -0.94 0.00 2.04 -1.11 -1.72 117.51 117.59 3g2j h ILE 446 Ca 0.17 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3g2j h ILE 446 Cb -0.06 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 3g2j h ILE 446 CO -0.04 0.20 0.56 0.00 0.00 0.00 0.00 178.15 178.88 3g2j h ALA 447 N 0.92 1.22 -0.62 1.87 0.00 -1.21 -3.11 119.26 118.32 3g2j h ALA 447 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3g2j h ALA 447 Cb 0.23 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3g2j h ALA 447 CO -0.00 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 3g2j n GLY 448 N -1.24 2.08 3.27 0.00 0.00 -0.38 -4.92 105.19 104.01 3g2j n GLY 448 Ca 0.11 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 3g2j n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g2j s SER 449 N -0.95 2.62 0.10 1.61 0.01 -0.66 -3.89 113.70 112.54 3g2j s SER 449 Ca 0.43 -0.55 0.27 0.00 1.31 0.00 0.00 55.95 57.40 3g2j s SER 449 Cb 0.24 -0.21 0.85 0.00 0.21 0.00 0.00 66.02 67.11 3g2j s SER 449 CO 0.27 0.17 1.72 0.00 0.41 0.00 0.00 173.24 175.81 3g2j n HIS 450 N 1.75 0.46 -3.79 2.43 1.44 -0.42 -4.83 115.22 112.27 3g2j n HIS 450 Ca -0.17 0.13 -0.13 0.00 -2.01 0.00 0.00 57.72 55.54 3g2j n HIS 450 Cb 0.53 -0.68 -0.13 0.00 0.12 0.00 0.00 29.99 29.84 3g2j n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3g2j s ALA 451 N -3.07 -0.42 -0.08 1.59 0.00 -1.26 -4.49 121.76 114.03 3g2j s ALA 451 Ca 0.11 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.68 3g2j s ALA 451 Cb 0.15 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.93 3g2j s ALA 451 CO 0.60 -0.11 -0.11 0.08 0.00 0.00 0.00 175.76 176.23 3g2j s VAL 452 N 0.42 1.10 0.05 0.00 1.01 0.83 -0.92 120.40 122.89 3g2j s VAL 452 Ca -0.03 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.58 3g2j s VAL 452 Cb -0.04 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 3g2j s VAL 452 CO -0.02 0.36 -0.13 0.54 0.00 0.00 0.00 175.10 175.86 3g2j s ASN 453 N 1.04 1.47 0.68 3.32 4.22 -0.47 -0.33 114.94 124.87 3g2j s ASN 453 Ca -0.07 -0.51 0.02 0.00 -2.14 0.00 0.00 52.86 50.15 3g2j s ASN 453 Cb -0.15 -0.06 0.13 0.00 1.28 0.00 0.00 41.25 42.45 3g2j s ASN 453 CO -0.01 -0.05 0.90 0.61 -2.04 0.00 0.00 177.10 176.52 3g2j n GLY 454 N 1.65 0.94 0.00 0.45 0.00 -1.09 -1.01 105.19 106.13 3g2j n GLY 454 Ca -0.20 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.75 3g2j n GLY 454 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3g2j n VAL 455 N -2.65 0.70 -3.52 1.61 0.24 -1.26 -1.79 118.33 111.67 3g2j n VAL 455 Ca 0.16 -0.85 -0.15 0.00 -2.04 0.00 0.00 64.34 61.46 3g2j n VAL 455 Cb 0.56 0.65 -0.05 0.00 -1.47 0.00 0.00 33.84 33.53 3g2j n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3g2j s ALA 456 N -0.70 -1.79 0.21 2.33 0.00 -1.26 -0.71 121.76 119.84 3g2j s ALA 456 Ca 0.00 1.25 -0.09 0.00 0.00 0.00 0.00 51.96 53.12 3g2j s ALA 456 Cb 0.00 -0.02 0.25 0.00 0.00 0.00 0.00 23.12 23.35 3g2j s ALA 456 CO 0.00 -0.43 1.80 -0.09 0.00 0.00 0.00 175.76 177.04 3g2j h ARG 457 N 2.68 0.66 -0.50 0.00 2.43 -1.89 0.11 114.38 117.87 3g2j h ARG 457 Ca -0.25 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.79 3g2j h ARG 457 Cb 1.18 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 3g2j h ARG 457 CO 0.36 0.43 -0.04 0.97 -1.51 0.00 0.00 179.97 180.19 3g2j h ILE 458 N 0.68 1.25 0.03 1.20 2.10 -1.91 -1.00 117.51 119.87 3g2j h ILE 458 Ca 0.30 -1.11 -0.00 0.00 1.08 0.00 0.00 64.86 65.14 3g2j h ILE 458 Cb 0.20 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 36.85 3g2j h ILE 458 CO -0.19 0.39 -0.02 -0.74 -1.08 0.00 0.00 178.15 176.51 3g2j h HIS 459 N 0.79 -0.04 -0.90 2.19 2.76 -1.53 -0.12 115.15 118.30 3g2j h HIS 459 Ca 0.14 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.40 3g2j h HIS 459 Cb 0.53 0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.44 3g2j h HIS 459 CO 0.03 0.22 0.58 0.77 -1.30 0.00 0.00 177.93 178.23 3g2j h SER 460 N -0.31 0.83 -0.27 3.26 0.02 -0.68 -0.33 113.55 116.07 3g2j h SER 460 Ca -0.00 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 3g2j h SER 460 Cb 0.29 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3g2j h SER 460 CO 0.01 0.50 -0.12 -0.33 -1.14 0.00 0.00 176.83 175.74 3g2j h GLU 461 N 0.92 0.56 -0.88 3.45 4.39 -1.01 -2.68 114.58 119.32 3g2j h GLU 461 Ca 0.41 -0.24 0.12 0.00 0.34 0.00 0.00 59.36 59.99 3g2j h GLU 461 Cb 0.36 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.93 3g2j h GLU 461 CO -0.17 0.80 0.57 0.82 -1.16 0.00 0.00 179.01 179.87 3g2j h ILE 462 N 0.30 0.90 -0.49 3.13 2.04 -0.35 -0.82 117.51 122.21 3g2j h ILE 462 Ca 0.06 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3g2j h ILE 462 Cb 0.63 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3g2j h ILE 462 CO 0.04 0.14 0.23 -0.07 0.00 0.00 0.00 178.15 178.49 3g2j h LEU 463 N 0.79 0.65 -0.62 1.44 3.38 -0.86 0.39 115.31 120.48 3g2j h LEU 463 Ca 0.43 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 3g2j h LEU 463 Cb 0.56 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3g2j h LEU 463 CO -0.19 0.61 -0.37 0.11 0.09 0.00 0.00 178.44 178.68 3g2j h LYS 464 N 0.65 0.00 0.00 1.13 1.57 -1.05 -1.42 116.57 117.45 3g2j h LYS 464 Ca 0.17 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.71 3g2j h LYS 464 Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3g2j h LYS 464 CO -0.02 0.37 -2.06 1.63 -0.57 0.00 0.00 179.45 178.80 3g2j n LYS 465 N -3.37 0.67 0.00 3.15 5.02 -0.38 -3.91 118.16 119.34 3g2j n LYS 465 Ca 0.01 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3g2j n LYS 465 Cb 0.57 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3g2j n LYS 465 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3g2j n THR 466 N -2.68 0.00 0.09 -0.18 -2.24 0.11 -4.73 114.28 104.65 3g2j n THR 466 Ca -0.21 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.62 3g2j n THR 466 Cb 0.95 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 69.66 3g2j n THR 466 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 3g2j h ILE 467 N 0.00 1.09 -0.11 2.28 3.07 -1.68 -2.27 117.51 119.88 3g2j h ILE 467 Ca 0.00 -0.23 -0.05 0.00 1.55 0.00 0.00 64.86 66.13 3g2j h ILE 467 Cb 0.00 0.74 -0.03 0.00 -0.27 0.00 0.00 36.82 37.26 3g2j h ILE 467 CO 0.00 0.10 -0.24 0.49 -1.05 0.00 0.00 178.15 177.45 3g2j n PHE 468 N -4.46 0.36 -0.15 0.16 0.99 -0.54 -4.81 117.46 109.02 3g2j n PHE 468 Ca 0.01 -1.36 -0.03 0.00 -0.00 0.00 0.00 57.45 56.06 3g2j n PHE 468 Cb 0.10 -0.30 0.05 0.00 -1.00 0.00 0.00 39.48 38.34 3g2j n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 3g2j h LYS 469 N 0.85 0.27 -0.82 -1.08 3.64 -1.36 0.29 116.57 118.36 3g2j h LYS 469 Ca 0.06 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3g2j h LYS 469 Cb 1.21 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 3g2j h LYS 469 CO 0.12 0.18 0.50 -0.44 -2.27 0.00 0.00 179.45 177.54 3g2j h ASP 470 N 0.28 0.80 -0.09 4.20 3.32 -1.87 -0.19 116.42 122.87 3g2j h ASP 470 Ca 0.23 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.12 3g2j h ASP 470 Cb 0.27 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3g2j h ASP 470 CO -0.27 0.52 -0.54 -0.26 -1.72 0.00 0.00 179.24 176.98 3g2j h PHE 471 N 0.94 0.85 -0.85 4.55 0.04 -1.78 -1.90 116.94 118.79 3g2j h PHE 471 Ca 0.35 -0.30 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 3g2j h PHE 471 Cb 0.13 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.08 3g2j h PHE 471 CO -0.04 1.06 0.41 -0.92 -0.60 0.00 0.00 178.31 178.23 3g2j h TYR 472 N 0.52 1.21 -0.21 -0.55 3.20 -0.53 0.78 116.97 121.40 3g2j h TYR 472 Ca 0.01 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.72 3g2j h TYR 472 Cb 1.10 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 3g2j h TYR 472 CO 0.05 0.87 -0.33 0.93 -1.64 0.00 0.00 178.16 178.05 3g2j h GLU 473 N 1.20 0.42 -0.08 1.82 5.08 -0.84 -0.89 114.58 121.30 3g2j h GLU 473 Ca 0.29 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 3g2j h GLU 473 Cb 0.11 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.35 3g2j h GLU 473 CO -0.04 0.70 -0.55 1.25 -1.00 0.00 0.00 179.01 179.38 3g2j h LEU 474 N 0.36 0.62 -6.07 1.33 5.85 -1.13 -3.41 115.31 112.86 3g2j h LEU 474 Ca 0.04 -0.67 -0.57 0.00 0.84 0.00 0.00 57.88 57.53 3g2j h LEU 474 Cb 0.76 -0.18 -0.39 0.00 0.37 0.00 0.00 40.66 41.21 3g2j h LEU 474 CO 0.06 1.19 -1.06 -0.62 -0.34 0.00 0.00 178.44 177.67 3g2j n GLU 475 N -4.21 0.72 0.24 1.25 1.02 0.25 -4.98 120.64 114.94 3g2j n GLU 475 Ca -0.09 -3.29 0.11 0.00 -0.02 0.00 0.00 57.16 53.87 3g2j n GLU 475 Cb 0.63 -1.34 0.71 0.00 -0.02 0.00 0.00 31.44 31.43 3g2j n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3g2j h PRO 476 N 4.27 0.00 0.00 3.49 0.13 -1.36 -2.19 132.00 136.34 3g2j h PRO 476 Ca 0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 3g2j h PRO 476 Cb 0.87 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 3g2j h PRO 476 CO 0.47 0.00 -0.13 1.12 -0.23 0.00 0.00 178.00 179.22 3g2j h HIS 477 N 0.00 0.00 -0.00 1.56 2.07 -1.94 -2.85 115.15 114.00 3g2j h HIS 477 Ca 0.03 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.47 3g2j h HIS 477 Cb 0.11 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.08 3g2j h HIS 477 CO 0.00 0.13 -0.35 0.87 -3.07 0.00 0.00 177.93 175.51 3g2j h LYS 478 N 0.00 0.00 -5.68 5.12 1.57 -1.62 -3.45 116.57 112.52 3g2j h LYS 478 Ca -0.00 -0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3g2j h LYS 478 Cb 0.52 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.74 3g2j h LYS 478 CO 0.02 0.36 -0.04 -0.06 -0.57 0.00 0.00 179.45 179.15 3g2j s PHE 479 N -4.24 3.45 0.26 -1.35 0.08 -1.08 -0.12 117.98 114.98 3g2j s PHE 479 Ca -0.03 0.88 0.02 0.00 0.12 0.00 0.00 56.93 57.92 3g2j s PHE 479 Cb 0.15 -2.65 -0.04 0.00 -0.57 0.00 0.00 43.02 39.90 3g2j s PHE 479 CO 0.72 0.01 0.13 -0.65 -0.10 0.00 0.00 175.22 175.34 3g2j s GLN 480 N 1.20 1.43 -0.03 0.44 -0.21 0.55 -4.95 119.66 118.09 3g2j s GLN 480 Ca 0.27 -1.79 0.07 0.00 0.02 0.00 0.00 55.36 53.93 3g2j s GLN 480 Cb -0.16 -0.03 -0.02 0.00 1.00 0.00 0.00 33.01 33.81 3g2j s GLN 480 CO 0.11 -0.39 -0.24 1.21 -2.12 0.00 0.00 175.29 173.85 3g2j s ASN 481 N -3.29 2.90 -0.36 5.90 3.84 -1.26 -2.68 114.94 119.98 3g2j s ASN 481 Ca 0.38 -0.46 0.00 0.00 0.21 0.00 0.00 52.86 52.99 3g2j s ASN 481 Cb 0.06 -0.45 0.13 0.00 -0.55 0.00 0.00 41.25 40.45 3g2j s ASN 481 CO 0.15 0.28 0.20 -0.54 -2.79 0.00 0.00 177.10 174.41 3g2j s LYS 482 N -0.46 0.67 0.19 0.43 -0.14 -0.74 -4.94 119.74 114.75 3g2j s LYS 482 Ca 0.06 -1.37 -0.32 0.00 -1.36 0.00 0.00 55.97 52.97 3g2j s LYS 482 Cb -0.10 -1.54 -0.12 0.00 -1.68 0.00 0.00 37.83 34.38 3g2j s LYS 482 CO 0.00 -1.17 1.71 2.41 -0.76 0.00 0.00 175.35 177.54 3g2j n THR 483 N 4.11 0.03 -0.73 2.17 -1.04 -1.26 -4.14 114.28 113.41 3g2j n THR 483 Ca 0.09 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.77 3g2j n THR 483 Cb 0.37 -1.92 0.15 0.00 -1.82 0.00 0.00 70.33 67.11 3g2j n THR 483 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3g2j n ASN 484 N 4.02 -1.27 -3.91 8.00 5.03 0.12 -4.60 115.26 122.65 3g2j n ASN 484 Ca 0.16 0.31 -0.13 0.00 0.87 0.00 0.00 54.58 55.80 3g2j n ASN 484 Cb 0.34 -1.29 -0.08 0.00 -1.02 0.00 0.00 39.78 37.74 3g2j n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3g2j s GLY 485 N -2.23 1.35 0.08 7.41 0.00 -1.26 -4.77 107.32 107.90 3g2j s GLY 485 Ca 0.61 -1.53 0.07 0.00 0.00 0.00 0.00 44.72 43.87 3g2j s GLY 485 CO 0.64 -1.17 -0.18 -0.26 0.00 0.00 0.00 173.10 172.13 3g2j s ILE 486 N -3.88 1.45 -0.09 0.90 -4.36 0.44 -4.48 121.20 111.18 3g2j s ILE 486 Ca 0.34 -1.39 -0.30 0.00 -0.26 0.00 0.00 60.65 59.04 3g2j s ILE 486 Cb 0.04 -1.34 -0.02 0.00 1.25 0.00 0.00 42.46 42.39 3g2j s ILE 486 CO 0.15 -0.10 1.16 0.28 0.24 0.00 0.00 174.94 176.67 3g2j s THR 487 N -1.15 4.39 -0.66 8.37 -1.32 -1.26 -1.40 115.64 122.61 3g2j s THR 487 Ca 0.03 1.69 0.20 0.00 -1.21 0.00 0.00 61.69 62.41 3g2j s THR 487 Cb -0.10 -4.09 0.20 0.00 -1.51 0.00 0.00 72.50 67.01 3g2j s THR 487 CO 0.03 -0.04 1.62 -0.81 -2.21 0.00 0.00 174.62 173.22 3g2j n PRO 488 N 5.47 0.13 0.25 7.08 -0.04 -1.26 -1.39 135.00 145.23 3g2j n PRO 488 Ca 0.11 0.37 -0.10 0.00 -0.04 0.00 0.00 63.50 63.84 3g2j n PRO 488 Cb 0.46 -1.74 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 3g2j n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g2j h ARG 489 N 0.00 -0.64 -0.63 0.54 -0.00 -1.91 -1.24 114.38 110.50 3g2j h ARG 489 Ca 0.00 0.04 -0.06 0.00 -0.50 0.00 0.00 59.98 59.46 3g2j h ARG 489 Cb 0.32 0.15 -0.03 0.00 0.00 0.00 0.00 29.97 30.41 3g2j h ARG 489 CO 0.00 -0.43 0.15 -0.09 0.00 0.00 0.00 179.97 179.60 3g2j h ARG 490 N -0.95 1.01 -0.32 0.04 2.43 -1.96 0.80 114.38 115.43 3g2j h ARG 490 Ca -0.07 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3g2j h ARG 490 Cb 0.51 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3g2j h ARG 490 CO 0.11 0.92 0.00 0.91 -1.51 0.00 0.00 179.97 180.40 3g2j n TRP 491 N -4.32 0.42 0.08 2.20 7.02 -0.49 -2.72 117.44 119.64 3g2j n TRP 491 Ca 0.04 -0.21 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 3g2j n TRP 491 Cb 0.25 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 3g2j n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 3g2j n LEU 492 N 0.96 -0.01 -0.11 -0.99 7.94 -0.52 -4.76 117.00 119.50 3g2j n LEU 492 Ca 0.18 0.28 -0.07 0.00 -1.11 0.00 0.00 56.01 55.29 3g2j n LEU 492 Cb 0.47 0.20 0.01 0.00 0.53 0.00 0.00 43.42 44.63 3g2j n LEU 492 CO 0.14 -0.68 1.00 0.58 -1.11 0.00 0.00 177.39 177.32 3g2j h VAL 493 N 0.00 1.03 0.02 1.96 2.07 -1.19 0.52 116.25 120.65 3g2j h VAL 493 Ca 0.00 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3g2j h VAL 493 Cb 0.00 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3g2j h VAL 493 CO 0.00 0.08 -0.01 0.25 0.02 0.00 0.00 177.57 177.91 3g2j h LEU 494 N 0.43 -0.02 0.00 2.57 6.46 -0.95 -3.25 115.31 120.55 3g2j h LEU 494 Ca 0.15 -0.65 -0.03 0.00 -0.12 0.00 0.00 57.88 57.23 3g2j h LEU 494 Cb 0.02 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 3g2j h LEU 494 CO -0.08 0.65 -0.87 0.00 -0.62 0.00 0.00 178.44 177.53 3g2j n ASN 496 N -2.81 1.52 -0.16 0.00 2.85 0.18 -4.85 115.26 111.99 3g2j n ASN 496 Ca -0.01 -3.01 -0.03 0.00 -0.11 0.00 0.00 54.58 51.43 3g2j n ASN 496 Cb 0.60 -0.64 0.18 0.00 1.24 0.00 0.00 39.78 41.16 3g2j n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3g2j h PRO 497 N 3.84 0.89 -0.59 1.20 0.13 -1.66 -1.26 132.00 134.55 3g2j h PRO 497 Ca 0.11 -0.17 0.08 0.00 -0.87 0.00 0.00 66.00 65.16 3g2j h PRO 497 Cb 0.81 -0.14 -0.07 0.00 0.13 0.00 0.00 31.00 31.73 3g2j h PRO 497 CO 0.59 0.77 0.24 0.78 -0.23 0.00 0.00 178.00 180.14 3g2j h GLY 498 N 0.99 0.82 1.14 1.56 0.00 -1.91 0.16 103.07 105.84 3g2j h GLY 498 Ca 0.19 -0.13 -0.20 0.00 0.00 0.00 0.00 47.33 47.19 3g2j h GLY 498 CO -0.01 0.01 -0.66 -2.00 0.00 0.00 0.00 176.54 173.89 3g2j h LEU 499 N 0.43 0.95 -0.95 3.11 5.85 -1.84 -2.58 115.31 120.28 3g2j h LEU 499 Ca 0.29 -0.58 0.06 0.00 0.84 0.00 0.00 57.88 58.49 3g2j h LEU 499 Cb 0.32 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 3g2j h LEU 499 CO -0.27 1.37 0.60 0.00 -0.34 0.00 0.00 178.44 179.80 3g2j h ALA 500 N 0.60 1.31 0.35 1.25 0.00 -0.75 -2.29 119.26 119.73 3g2j h ALA 500 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3g2j h ALA 500 Cb 1.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3g2j h ALA 500 CO 0.14 0.38 -0.17 1.49 0.00 0.00 0.00 179.25 181.10 3g2j h GLU 501 N 1.10 -0.45 0.00 0.00 4.57 -0.61 -1.28 114.58 117.92 3g2j h GLU 501 Ca 0.41 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.61 3g2j h GLU 501 Cb 0.17 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3g2j h GLU 501 CO -0.17 -0.14 -0.05 -0.84 -1.18 0.00 0.00 179.01 176.62 3g2j h ILE 502 N -0.77 0.74 -0.06 2.32 3.07 -1.41 0.28 117.51 121.68 3g2j h ILE 502 Ca -0.05 -0.21 -0.10 0.00 1.55 0.00 0.00 64.86 66.06 3g2j h ILE 502 Cb 0.51 1.12 0.00 0.00 -0.27 0.00 0.00 36.82 38.19 3g2j h ILE 502 CO 0.08 0.05 -0.33 0.40 -1.05 0.00 0.00 178.15 177.30 3g2j h ILE 503 N 0.00 1.43 -0.03 0.16 2.04 -1.35 -3.28 117.51 116.48 3g2j h ILE 503 Ca -0.00 -1.76 -0.04 0.00 1.00 0.00 0.00 64.86 64.06 3g2j h ILE 503 Cb 0.12 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3g2j h ILE 503 CO 0.01 0.51 -0.15 0.00 0.00 0.00 0.00 178.15 178.51 3g2j h ALA 504 N 0.41 1.69 -1.01 1.87 0.00 -0.06 -1.22 119.26 120.95 3g2j h ALA 504 Ca -0.02 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3g2j h ALA 504 Cb 0.99 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3g2j h ALA 504 CO 0.07 0.23 0.66 0.93 0.00 0.00 0.00 179.25 181.14 3g2j h GLU 505 N 0.04 1.20 0.14 0.00 5.08 -1.05 0.10 114.58 120.10 3g2j h GLU 505 Ca 0.01 -0.07 -0.35 0.00 -1.00 0.00 0.00 59.36 57.94 3g2j h GLU 505 Cb 0.30 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3g2j h GLU 505 CO 0.02 0.80 -1.86 0.00 -1.00 0.00 0.00 179.01 176.97 3g2j h ARG 506 N 1.24 0.30 -0.00 2.33 2.47 -1.46 -3.42 114.38 115.84 3g2j h ARG 506 Ca 0.41 -0.52 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 3g2j h ARG 506 Cb 0.06 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 3g2j h ARG 506 CO -0.14 1.25 0.00 0.44 0.56 0.00 0.00 179.97 182.07 3g2j n ILE 507 N -3.58 0.28 -2.56 2.04 -5.35 -0.52 -5.12 119.36 104.54 3g2j n ILE 507 Ca -0.29 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.55 3g2j n ILE 507 Cb 1.04 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 39.80 3g2j n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3g2j n GLY 508 N -0.13 -2.17 0.09 3.28 0.00 0.35 -4.64 105.19 101.98 3g2j n GLY 508 Ca 0.00 -1.57 0.10 0.00 0.00 0.00 0.00 46.02 44.56 3g2j n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g2j n GLU 509 N -0.17 0.24 0.30 1.61 1.02 -1.26 -4.14 120.64 118.23 3g2j n GLU 509 Ca 0.00 -0.19 0.16 0.00 -0.02 0.00 0.00 57.16 57.11 3g2j n GLU 509 Cb 0.00 -1.50 0.92 0.00 -0.02 0.00 0.00 31.44 30.84 3g2j n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3g2j h GLU 510 N 0.47 0.00 0.00 3.49 5.08 -1.96 -2.83 114.58 118.83 3g2j h GLU 510 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3g2j h GLU 510 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3g2j h GLU 510 CO 0.00 0.03 -0.13 0.10 -1.00 0.00 0.00 179.01 178.01 3g2j h TYR 511 N 0.00 0.00 0.00 4.33 -0.00 -1.79 -2.64 116.97 116.87 3g2j h TYR 511 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 3g2j h TYR 511 Cb 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.82 3g2j h TYR 511 CO 0.00 0.13 -0.09 0.82 -0.00 0.00 0.00 178.16 179.02 3g2j h ILE 512 N 0.00 0.92 -0.07 -0.90 2.04 -1.86 -0.83 117.51 116.82 3g2j h ILE 512 Ca -0.00 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3g2j h ILE 512 Cb 0.52 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3g2j h ILE 512 CO 0.02 0.09 0.00 -1.54 0.00 0.00 0.00 178.15 176.72 3g2j n SER 513 N -4.22 2.45 -2.82 1.72 3.41 -1.14 -4.60 113.62 108.42 3g2j n SER 513 Ca -0.03 -2.52 -0.10 0.00 -0.26 0.00 0.00 58.87 55.97 3g2j n SER 513 Cb 0.17 -0.25 0.02 0.00 -0.26 0.00 0.00 64.21 63.90 3g2j n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3g2j n ASP 514 N -0.73 -2.61 0.21 4.04 4.64 -0.58 -5.03 116.55 116.49 3g2j n ASP 514 Ca 0.10 -3.14 0.15 0.00 -1.38 0.00 0.00 54.79 50.52 3g2j n ASP 514 Cb 0.49 1.48 0.72 0.00 -1.04 0.00 0.00 41.12 42.77 3g2j n ASP 514 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 3g2j h LEU 515 N 4.25 0.00 -2.16 -2.67 5.85 -1.48 -1.70 115.31 117.40 3g2j h LEU 515 Ca -0.07 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.66 3g2j h LEU 515 Cb 1.03 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 3g2j h LEU 515 CO 0.28 0.00 0.03 0.44 -0.34 0.00 0.00 178.44 178.85 3g2j h ASP 516 N 0.00 0.00 -0.01 1.25 3.32 -1.84 -1.92 116.42 117.22 3g2j h ASP 516 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g2j h ASP 516 Cb 0.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3g2j h ASP 516 CO 0.00 0.00 0.15 1.56 -1.72 0.00 0.00 179.24 179.23 3g2j h GLN 517 N 0.00 0.00 -0.07 3.56 4.20 -1.63 -1.49 115.11 119.69 3g2j h GLN 517 Ca 0.02 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.75 3g2j h GLN 517 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 3g2j h GLN 517 CO -0.00 0.00 0.13 -0.07 -0.67 0.00 0.00 178.83 178.22 3g2j h LEU 518 N 0.00 0.00 -1.33 1.46 3.38 -1.58 -1.40 115.31 115.84 3g2j h LEU 518 Ca 0.01 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.18 3g2j h LEU 518 Cb 0.31 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 3g2j h LEU 518 CO -0.00 0.00 0.61 0.03 0.09 0.00 0.00 178.44 179.17 3g2j h ARG 519 N 0.00 0.52 -0.16 1.13 3.08 -0.59 0.10 114.38 118.47 3g2j h ARG 519 Ca 0.03 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3g2j h ARG 519 Cb 0.29 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3g2j h ARG 519 CO -0.00 0.35 0.52 0.87 -1.07 0.00 0.00 179.97 180.64 3g2j h LYS 520 N 0.54 0.00 0.00 0.04 1.57 -1.49 0.22 116.57 117.45 3g2j h LYS 520 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 3g2j h LYS 520 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3g2j h LYS 520 CO -0.25 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.56 3g2j h LEU 521 N 0.00 0.00 -1.54 2.94 3.38 -0.99 -3.00 115.31 116.09 3g2j h LEU 521 Ca 0.08 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3g2j h LEU 521 Cb 1.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3g2j h LEU 521 CO -0.00 0.00 0.37 -0.07 0.09 0.00 0.00 178.44 178.83 3g2j h LEU 522 N 0.00 0.50 0.00 1.67 4.07 -0.73 -1.26 115.31 119.56 3g2j h LEU 522 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3g2j h LEU 522 Cb 0.53 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.16 3g2j h LEU 522 CO 0.00 0.33 0.00 -1.54 -1.08 0.00 0.00 178.44 176.15 3g2j n SER 523 N -4.47 0.00 -0.13 -0.43 3.41 -1.13 -2.46 113.62 108.40 3g2j n SER 523 Ca 0.07 -1.35 0.01 0.00 -0.26 0.00 0.00 58.87 57.35 3g2j n SER 523 Cb 0.20 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.18 3g2j n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3g2j n TYR 524 N -0.68 0.06 0.28 7.33 4.01 -0.48 -4.71 117.16 122.97 3g2j n TYR 524 Ca 0.07 -0.26 0.14 0.00 -0.16 0.00 0.00 57.90 57.70 3g2j n TYR 524 Cb 0.03 -0.02 0.83 0.00 -0.31 0.00 0.00 39.34 39.87 3g2j n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3g2j h VAL 525 N 0.52 0.50 -0.14 -0.72 3.04 -1.48 -0.56 116.25 117.41 3g2j h VAL 525 Ca 0.00 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 3g2j h VAL 525 Cb 0.34 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 3g2j h VAL 525 CO 0.00 0.06 0.00 0.47 -1.01 0.00 0.00 177.57 177.09 3g2j n ASP 526 N -3.67 2.67 -4.62 3.17 10.43 -1.26 -4.84 116.55 118.44 3g2j n ASP 526 Ca -0.02 -1.79 -0.43 0.00 2.57 0.00 0.00 54.79 55.12 3g2j n ASP 526 Cb 0.17 -0.09 -0.02 0.00 1.84 0.00 0.00 41.12 43.02 3g2j n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3g2j s ASP 527 N -1.33 6.65 0.27 -2.24 2.15 -0.22 -4.91 116.67 117.03 3g2j s ASP 527 Ca 0.24 1.05 -0.01 0.00 0.43 0.00 0.00 52.55 54.26 3g2j s ASP 527 Cb 0.15 -2.54 0.37 0.00 -0.30 0.00 0.00 42.92 40.60 3g2j s ASP 527 CO 0.22 -1.13 1.76 -0.08 -0.17 0.00 0.00 175.17 175.78 3g2j h GLU 528 N 9.35 0.71 -0.33 4.34 4.57 -1.92 -0.93 114.58 130.37 3g2j h GLU 528 Ca -0.25 -0.20 -0.05 0.00 -1.18 0.00 0.00 59.36 57.68 3g2j h GLU 528 Cb 1.09 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 3g2j h GLU 528 CO 1.05 0.76 0.02 0.00 -1.18 0.00 0.00 179.01 179.66 3g2j h ALA 529 N 1.29 0.44 -0.39 2.92 0.00 -1.95 -2.45 119.26 119.12 3g2j h ALA 529 Ca 0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3g2j h ALA 529 Cb 0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3g2j h ALA 529 CO 0.02 0.18 0.10 0.35 0.00 0.00 0.00 179.25 179.90 3g2j h PHE 530 N 0.38 0.66 -0.39 0.00 3.04 -1.81 -1.33 116.94 117.49 3g2j h PHE 530 Ca 0.10 -0.08 0.08 0.00 3.98 0.00 0.00 57.97 62.05 3g2j h PHE 530 Cb 0.41 -0.19 -0.07 0.00 2.56 0.00 0.00 35.95 38.66 3g2j h PHE 530 CO 0.03 0.64 -0.10 0.82 -2.02 0.00 0.00 178.31 177.68 3g2j h ILE 531 N 0.49 0.61 -0.89 1.41 2.04 -1.16 0.14 117.51 120.14 3g2j h ILE 531 Ca 0.12 -0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 3g2j h ILE 531 Cb 0.31 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 3g2j h ILE 531 CO 0.00 0.00 0.57 -0.09 0.00 0.00 0.00 178.15 178.63 3g2j h ARG 532 N 0.00 1.04 -0.12 2.37 2.43 -1.24 -1.41 114.38 117.46 3g2j h ARG 532 Ca 0.19 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 3g2j h ARG 532 Cb 0.29 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3g2j h ARG 532 CO -0.40 0.69 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.10 3g2j h ASP 533 N 1.07 0.38 -0.16 -3.80 3.32 -0.36 -0.35 116.42 116.52 3g2j h ASP 533 Ca 0.37 -0.54 0.04 0.00 0.02 0.00 0.00 57.03 56.92 3g2j h ASP 533 Cb 0.09 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 3g2j h ASP 533 CO -0.15 0.85 -0.12 0.58 -1.72 0.00 0.00 179.24 178.68 3g2j h VAL 534 N -0.08 0.65 -0.23 -1.35 2.07 -0.64 0.86 116.25 117.53 3g2j h VAL 534 Ca 0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 3g2j h VAL 534 Cb 0.78 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3g2j h VAL 534 CO 0.05 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.66 3g2j h ALA 535 N 0.97 1.63 -0.07 1.67 0.00 -1.27 -2.28 119.26 119.91 3g2j h ALA 535 Ca 0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3g2j h ALA 535 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3g2j h ALA 535 CO -0.24 0.28 -0.13 -0.22 0.00 0.00 0.00 179.25 178.94 3g2j h LYS 536 N 0.33 0.21 -0.74 0.00 3.64 -0.36 -2.32 116.57 117.33 3g2j h LYS 536 Ca 0.08 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 59.39 3g2j h LYS 536 Cb 0.18 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 3g2j h LYS 536 CO 0.00 0.72 0.42 0.28 -2.27 0.00 0.00 179.45 178.60 3g2j h VAL 537 N -0.27 0.95 0.18 2.00 2.07 -0.67 -0.74 116.25 119.78 3g2j h VAL 537 Ca 0.00 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3g2j h VAL 537 Cb 0.71 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3g2j h VAL 537 CO 0.03 0.14 -0.09 0.50 0.02 0.00 0.00 177.57 178.17 3g2j h LYS 538 N 0.75 -0.23 -0.67 1.57 1.63 -1.41 -0.87 116.57 117.33 3g2j h LYS 538 Ca 0.34 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.14 3g2j h LYS 538 Cb 0.24 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 3g2j h LYS 538 CO -0.20 -0.12 0.36 0.37 -3.45 0.00 0.00 179.45 176.41 3g2j h GLN 539 N -0.28 0.93 -0.36 1.90 5.75 -1.12 0.12 115.11 122.05 3g2j h GLN 539 Ca -0.02 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3g2j h GLN 539 Cb 0.22 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 3g2j h GLN 539 CO 0.04 0.69 0.23 0.93 -2.65 0.00 0.00 178.83 178.07 3g2j h GLU 540 N 0.94 0.48 -0.83 1.69 5.08 -0.99 -0.02 114.58 120.94 3g2j h GLU 540 Ca 0.24 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3g2j h GLU 540 Cb 0.03 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 3g2j h GLU 540 CO -0.04 0.34 0.43 -0.91 -1.00 0.00 0.00 179.01 177.83 3g2j h ASN 541 N 0.48 1.05 -0.43 1.42 2.35 -0.23 -0.68 115.58 119.54 3g2j h ASN 541 Ca 0.13 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 3g2j h ASN 541 Cb -0.03 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 3g2j h ASN 541 CO -0.03 0.87 -0.06 0.11 -1.65 0.00 0.00 177.43 176.67 3g2j h LYS 542 N 1.16 0.87 -0.25 0.81 1.57 -0.53 -0.50 116.57 119.70 3g2j h LYS 542 Ca 0.29 -0.28 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 3g2j h LYS 542 Cb 0.07 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 3g2j h LYS 542 CO -0.04 0.91 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.36 3g2j h LEU 543 N 0.80 0.71 -0.99 2.94 3.38 -0.76 0.23 115.31 121.61 3g2j h LEU 543 Ca 0.14 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 3g2j h LEU 543 Cb 0.56 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3g2j h LEU 543 CO 0.03 1.07 0.30 0.50 0.09 0.00 0.00 178.44 180.43 3g2j h LYS 544 N 0.37 1.02 -0.05 1.13 3.64 -0.99 -0.94 116.57 120.75 3g2j h LYS 544 Ca 0.03 -0.16 -0.25 0.00 -1.27 0.00 0.00 60.65 59.00 3g2j h LYS 544 Cb 0.90 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 32.56 3g2j h LYS 544 CO 0.08 0.82 -0.96 0.35 -2.27 0.00 0.00 179.45 177.46 3g2j h PHE 545 N 1.01 1.06 -0.57 1.91 3.57 -1.02 -1.64 116.94 121.26 3g2j h PHE 545 Ca 0.24 -0.54 0.06 0.00 3.53 0.00 0.00 57.97 61.26 3g2j h PHE 545 Cb 0.16 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3g2j h PHE 545 CO 0.01 1.38 0.38 0.00 -2.23 0.00 0.00 178.31 177.85 3g2j h ALA 546 N 0.45 1.86 -0.18 2.41 0.00 -0.79 -0.88 119.26 122.13 3g2j h ALA 546 Ca -0.10 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 3g2j h ALA 546 Cb 1.60 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3g2j h ALA 546 CO 0.19 0.05 -0.68 0.00 0.00 0.00 0.00 179.25 178.81 3g2j h ALA 547 N 1.69 0.46 -0.81 0.00 0.00 -1.07 -2.96 119.26 116.56 3g2j h ALA 547 Ca 0.25 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3g2j h ALA 547 Cb 0.30 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3g2j h ALA 547 CO -0.07 0.70 0.35 -0.92 0.00 0.00 0.00 179.25 179.31 3g2j h TYR 548 N 0.51 1.22 -0.36 0.00 5.03 -0.35 -0.87 116.97 122.15 3g2j h TYR 548 Ca -0.02 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.19 3g2j h TYR 548 Cb 1.28 -0.37 -0.02 0.00 1.55 0.00 0.00 36.73 39.18 3g2j h TYR 548 CO 0.07 0.90 0.17 -0.07 -1.32 0.00 0.00 178.16 177.91 3g2j h LEU 549 N 1.18 0.47 0.15 2.82 3.38 -1.20 -1.53 115.31 120.58 3g2j h LEU 549 Ca 0.27 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3g2j h LEU 549 Cb 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3g2j h LEU 549 CO -0.03 0.47 -0.07 -0.33 0.09 0.00 0.00 178.44 178.57 3g2j h GLU 550 N 0.44 -0.20 -0.59 1.13 5.08 -1.34 0.22 114.58 119.31 3g2j h GLU 550 Ca 0.12 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3g2j h GLU 550 Cb 0.13 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3g2j h GLU 550 CO -0.01 0.01 0.34 -0.09 -1.00 0.00 0.00 179.01 178.26 3g2j h ARG 551 N -0.38 0.82 0.00 2.33 2.43 -1.12 -0.77 114.38 117.69 3g2j h ARG 551 Ca -0.02 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3g2j h ARG 551 Cb 0.30 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3g2j h ARG 551 CO 0.03 0.61 -1.10 0.39 -1.51 0.00 0.00 179.97 178.39 3g2j n GLU 552 N -4.60 1.04 0.00 0.20 4.71 -0.58 -4.63 120.64 116.77 3g2j n GLU 552 Ca 0.04 -0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 3g2j n GLU 552 Cb 0.07 -1.35 0.00 0.00 -1.01 0.00 0.00 31.44 29.15 3g2j n GLU 552 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3g2j n TYR 553 N -1.61 0.00 -4.07 -0.32 4.01 -0.03 -5.06 117.16 110.08 3g2j n TYR 553 Ca 0.01 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.43 3g2j n TYR 553 Cb 0.33 0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.33 3g2j n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3g2j n LYS 554 N 0.00 -1.60 -4.73 -0.72 4.76 -0.30 -4.89 118.16 110.69 3g2j n LYS 554 Ca 0.00 0.23 -0.24 0.00 -2.87 0.00 0.00 58.31 55.44 3g2j n LYS 554 Cb 0.48 -3.74 -0.15 0.00 -1.84 0.00 0.00 35.03 29.78 3g2j n LYS 554 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3g2j s VAL 555 N -3.96 1.25 -0.30 -0.18 -7.23 -1.21 -4.96 120.40 103.80 3g2j s VAL 555 Ca 0.16 -0.65 -0.13 0.00 -1.81 0.00 0.00 61.98 59.54 3g2j s VAL 555 Cb -0.08 -1.05 -0.03 0.00 0.56 0.00 0.00 36.38 35.78 3g2j s VAL 555 CO 0.94 0.36 0.28 -1.00 -0.31 0.00 0.00 175.10 175.37 3g2j s HIS 556 N -0.22 3.23 0.03 2.82 3.76 -1.26 -3.72 115.29 119.92 3g2j s HIS 556 Ca 0.03 0.14 0.04 0.00 -0.15 0.00 0.00 55.06 55.12 3g2j s HIS 556 Cb -0.08 -2.51 -0.02 0.00 1.11 0.00 0.00 32.58 31.09 3g2j s HIS 556 CO 0.00 -0.26 -0.13 0.96 -0.85 0.00 0.00 174.74 174.46 3g2j s ILE 557 N 1.90 1.01 -0.30 0.60 -4.36 -1.26 -5.09 121.20 113.70 3g2j s ILE 557 Ca 0.10 -0.91 -0.29 0.00 -0.26 0.00 0.00 60.65 59.29 3g2j s ILE 557 Cb -0.16 -0.92 0.01 0.00 1.25 0.00 0.00 42.46 42.64 3g2j s ILE 557 CO 0.11 0.01 1.21 0.21 0.24 0.00 0.00 174.94 176.72 3g2j s ASN 558 N -1.02 6.79 0.00 4.36 2.47 -1.26 -4.92 114.94 121.36 3g2j s ASN 558 Ca 0.01 1.16 0.29 0.00 0.42 0.00 0.00 52.86 54.74 3g2j s ASN 558 Cb -0.07 -2.54 1.56 0.00 -1.45 0.00 0.00 41.25 38.75 3g2j s ASN 558 CO 0.01 -0.99 2.03 -2.65 -3.72 0.00 0.00 177.10 171.79 3g2j n PRO 559 N 7.11 0.58 0.02 0.43 -0.02 -1.26 -2.49 135.00 139.38 3g2j n PRO 559 Ca 0.14 0.01 0.12 0.00 -2.02 0.00 0.00 63.50 61.75 3g2j n PRO 559 Cb 0.47 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.67 3g2j n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3g2j n ASN 560 N -1.19 0.55 -4.80 2.55 5.03 -1.26 -4.84 115.26 111.30 3g2j n ASN 560 Ca 0.17 -0.10 -0.31 0.00 0.87 0.00 0.00 54.58 55.21 3g2j n ASN 560 Cb 0.19 0.23 0.07 0.00 -1.02 0.00 0.00 39.78 39.24 3g2j n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3g2j s SER 561 N -3.46 4.94 0.04 6.41 1.04 -1.04 -4.95 113.70 116.68 3g2j s SER 561 Ca 0.09 1.69 -0.31 0.00 0.48 0.00 0.00 55.95 57.91 3g2j s SER 561 Cb 0.16 -2.48 -0.07 0.00 0.10 0.00 0.00 66.02 63.73 3g2j s SER 561 CO 0.71 -1.74 1.46 -0.22 0.98 0.00 0.00 173.24 174.43 3g2j s LEU 562 N -5.73 4.34 -0.66 2.42 0.20 0.29 -4.75 118.68 114.79 3g2j s LEU 562 Ca 0.60 2.25 -0.23 0.00 0.69 0.00 0.00 54.13 57.43 3g2j s LEU 562 Cb -0.15 -3.57 0.07 0.00 -0.43 0.00 0.00 46.19 42.11 3g2j s LEU 562 CO 0.55 -0.75 0.97 -0.36 -0.29 0.00 0.00 176.35 176.48 3g2j s PHE 563 N 2.20 2.66 -0.50 5.38 2.99 -1.26 -0.40 117.98 129.05 3g2j s PHE 563 Ca 0.66 -0.52 -0.16 0.00 0.00 0.00 0.00 56.93 56.91 3g2j s PHE 563 Cb -0.35 -4.30 0.08 0.00 0.00 0.00 0.00 43.02 38.46 3g2j s PHE 563 CO 0.29 -1.66 0.46 0.34 -0.00 0.00 0.00 175.22 174.65 3g2j s ASP 564 N 3.67 6.17 -0.03 1.36 3.68 0.53 -1.25 116.67 130.80 3g2j s ASP 564 Ca 0.23 -1.38 0.07 0.00 2.13 0.00 0.00 52.55 53.60 3g2j s ASP 564 Cb -0.17 -2.21 -0.02 0.00 -1.45 0.00 0.00 42.92 39.08 3g2j s ASP 564 CO 0.10 -0.75 -0.23 0.68 0.13 0.00 0.00 175.17 175.11 3g2j s VAL 565 N 1.82 1.84 -0.30 1.11 -7.23 -0.42 0.18 120.40 117.40 3g2j s VAL 565 Ca 0.06 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 3g2j s VAL 565 Cb -0.25 -1.54 0.09 0.00 0.56 0.00 0.00 36.38 35.25 3g2j s VAL 565 CO 0.07 0.52 0.07 -1.58 -0.31 0.00 0.00 175.10 173.86 3g2j s GLN 566 N -0.43 0.99 -0.15 4.82 0.74 0.60 -1.57 119.66 124.65 3g2j s GLN 566 Ca 0.06 -1.22 0.02 0.00 0.05 0.00 0.00 55.36 54.27 3g2j s GLN 566 Cb -0.10 -2.35 0.01 0.00 1.10 0.00 0.00 33.01 31.68 3g2j s GLN 566 CO 0.00 -0.91 -0.20 0.14 -0.55 0.00 0.00 175.29 173.77 3g2j s VAL 567 N 1.44 1.92 0.00 1.34 -7.23 -1.26 -1.56 120.40 115.05 3g2j s VAL 567 Ca 0.08 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 3g2j s VAL 567 Cb -0.18 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 35.04 3g2j s VAL 567 CO -0.18 0.52 0.00 2.29 -0.31 0.00 0.00 175.10 177.42 3g2j n LYS 568 N 4.29 0.00 -1.73 4.82 2.85 -1.01 -4.97 118.16 122.42 3g2j n LYS 568 Ca -0.20 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.67 3g2j n LYS 568 Cb 0.51 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.92 3g2j n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3g2j n ARG 569 N -0.20 1.82 -2.38 -1.58 5.12 -1.26 -3.92 116.66 114.26 3g2j n ARG 569 Ca 0.00 0.66 -0.43 0.00 -1.93 0.00 0.00 57.85 56.15 3g2j n ARG 569 Cb 0.00 -2.51 -0.02 0.00 -1.16 0.00 0.00 32.46 28.77 3g2j n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3g2j s ILE 570 N -1.26 4.16 0.00 0.55 -1.09 -0.31 -4.89 121.20 118.37 3g2j s ILE 570 Ca 0.67 1.37 -0.09 0.00 -2.23 0.00 0.00 60.65 60.37 3g2j s ILE 570 Cb -0.45 -4.01 0.01 0.00 -1.58 0.00 0.00 42.46 36.43 3g2j s ILE 570 CO 0.53 -0.26 0.18 -1.00 -1.23 0.00 0.00 174.94 173.16 3g2j s HIS 571 N 3.93 -0.00 0.29 3.97 3.76 -1.26 -4.68 115.29 121.30 3g2j s HIS 571 Ca 0.57 -0.05 -0.00 0.00 -0.15 0.00 0.00 55.06 55.42 3g2j s HIS 571 Cb -0.21 -0.02 0.44 0.00 1.11 0.00 0.00 32.58 33.90 3g2j s HIS 571 CO 0.19 -0.31 1.83 0.93 -0.85 0.00 0.00 174.74 176.53 3g2j h GLU 572 N 4.16 0.77 0.00 1.40 5.08 -1.97 -2.91 114.58 121.11 3g2j h GLU 572 Ca -0.31 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 57.81 3g2j h GLU 572 Cb 1.19 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3g2j h GLU 572 CO 0.41 0.71 -0.39 0.10 -1.00 0.00 0.00 179.01 178.84 3g2j h TYR 573 N 0.74 0.00 0.00 4.33 -0.00 -1.97 -2.27 116.97 117.80 3g2j h TYR 573 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.89 3g2j h TYR 573 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.03 3g2j h TYR 573 CO 0.02 0.39 0.00 1.63 -0.00 0.00 0.00 178.16 180.19 3g2j n LYS 574 N -4.05 0.20 -3.71 0.10 5.02 -1.11 -2.74 118.16 111.87 3g2j n LYS 574 Ca -0.02 0.30 -0.25 0.00 -2.02 0.00 0.00 58.31 56.32 3g2j n LYS 574 Cb 0.42 -1.80 0.05 0.00 -0.02 0.00 0.00 35.03 33.69 3g2j n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3g2j n ARG 575 N -2.15 -6.29 -0.14 1.97 1.74 -0.86 -4.01 116.66 106.92 3g2j n ARG 575 Ca 0.04 0.71 0.27 0.00 -0.77 0.00 0.00 57.85 58.10 3g2j n ARG 575 Cb 0.32 -5.60 0.72 0.00 -1.02 0.00 0.00 32.46 26.88 3g2j n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3g2j h GLN 576 N -2.20 0.00 -0.30 5.56 7.50 -1.85 -1.21 115.11 122.61 3g2j h GLN 576 Ca -0.59 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 58.50 3g2j h GLN 576 Cb 1.37 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.88 3g2j h GLN 576 CO 0.59 0.00 -0.10 -0.07 -1.50 0.00 0.00 178.83 177.75 3g2j h LEU 577 N 0.00 0.47 -0.50 1.46 3.38 -1.90 -0.08 115.31 118.14 3g2j h LEU 577 Ca 0.39 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.14 3g2j h LEU 577 Cb 1.64 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 3g2j h LEU 577 CO -0.00 0.61 -0.12 0.25 0.09 0.00 0.00 178.44 179.27 3g2j h LEU 578 N 0.46 0.98 -0.32 1.67 5.85 -1.59 -0.79 115.31 121.56 3g2j h LEU 578 Ca 0.09 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.47 3g2j h LEU 578 Cb 0.46 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3g2j h LEU 578 CO 0.03 1.11 0.16 -1.13 -0.34 0.00 0.00 178.44 178.27 3g2j h ASN 579 N 0.83 0.24 -0.83 1.25 -0.00 -1.35 -2.03 115.58 113.70 3g2j h ASN 579 Ca 0.13 0.01 0.11 0.00 -0.00 0.00 0.00 56.30 56.55 3g2j h ASN 579 Cb 0.68 -0.03 -0.08 0.00 -0.00 0.00 0.00 38.32 38.89 3g2j h ASN 579 CO 0.05 0.18 0.45 0.00 -0.00 0.00 0.00 177.43 178.11 3g2j h LEU 581 N 0.72 0.91 -0.38 0.00 3.38 -0.77 -1.02 115.31 118.16 3g2j h LEU 581 Ca 0.42 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3g2j h LEU 581 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3g2j h LEU 581 CO -0.29 0.88 0.14 -0.74 0.09 0.00 0.00 178.44 178.53 3g2j h HIS 582 N 0.90 0.59 -0.53 1.13 2.76 -0.65 -0.84 115.15 118.50 3g2j h HIS 582 Ca 0.20 -0.05 0.06 0.00 -2.20 0.00 0.00 60.37 58.39 3g2j h HIS 582 Cb 0.30 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 29.03 3g2j h HIS 582 CO 0.02 0.54 0.22 0.28 -1.30 0.00 0.00 177.93 177.69 3g2j h VAL 583 N 0.47 0.87 -0.55 5.26 2.07 -0.82 0.21 116.25 123.76 3g2j h VAL 583 Ca 0.13 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 3g2j h VAL 583 Cb 0.20 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3g2j h VAL 583 CO -0.01 0.08 0.04 0.40 0.02 0.00 0.00 177.57 178.10 3g2j h ILE 584 N 0.43 1.25 -0.09 4.57 2.04 -1.06 -1.66 117.51 122.99 3g2j h ILE 584 Ca 0.25 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 65.13 3g2j h ILE 584 Cb 0.23 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3g2j h ILE 584 CO -0.22 0.36 -0.04 0.74 0.00 0.00 0.00 178.15 178.99 3g2j h THR 585 N 0.84 0.86 -0.40 -0.27 2.02 -0.24 0.11 112.91 115.84 3g2j h THR 585 Ca 0.17 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.39 3g2j h THR 585 Cb 0.44 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 3g2j h THR 585 CO 0.02 0.00 0.14 -0.07 0.37 0.00 0.00 175.52 175.98 3g2j h LEU 586 N -0.03 0.15 -0.08 2.58 4.07 -0.75 0.64 115.31 121.89 3g2j h LEU 586 Ca 0.05 0.04 0.02 0.00 0.08 0.00 0.00 57.88 58.08 3g2j h LEU 586 Cb 0.11 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 3g2j h LEU 586 CO -0.11 0.12 -0.06 0.22 -1.08 0.00 0.00 178.44 177.54 3g2j h TYR 587 N 0.30 -0.13 -0.69 1.13 5.03 -1.02 -0.51 116.97 121.08 3g2j h TYR 587 Ca 0.18 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.46 3g2j h TYR 587 Cb 0.16 0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.48 3g2j h TYR 587 CO -0.15 -0.09 0.26 -0.91 -1.32 0.00 0.00 178.16 175.96 3g2j h ASN 588 N -0.06 0.95 -0.60 -2.11 2.35 -0.37 -0.31 115.58 115.42 3g2j h ASN 588 Ca 0.05 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 3g2j h ASN 588 Cb 0.14 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3g2j h ASN 588 CO -0.12 0.86 0.29 0.03 -1.65 0.00 0.00 177.43 176.84 3g2j h ARG 589 N 1.01 0.87 0.08 0.81 3.08 -0.62 -0.54 114.38 119.07 3g2j h ARG 589 Ca 0.23 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3g2j h ARG 589 Cb 0.21 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3g2j h ARG 589 CO -0.02 0.70 -0.04 0.82 -1.07 0.00 0.00 179.97 180.36 3g2j h ILE 590 N 0.82 0.93 -0.36 2.04 2.04 -0.63 -1.20 117.51 121.17 3g2j h ILE 590 Ca 0.21 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 66.06 3g2j h ILE 590 Cb 0.12 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3g2j h ILE 590 CO -0.03 0.02 0.24 0.11 0.00 0.00 0.00 178.15 178.49 3g2j h LYS 591 N -0.14 0.26 -0.08 2.37 1.79 -0.93 -1.15 116.57 118.68 3g2j h LYS 591 Ca -0.01 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 3g2j h LYS 591 Cb 0.11 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 3g2j h LYS 591 CO 0.02 0.17 -0.10 -0.22 -1.08 0.00 0.00 179.45 178.24 3g2j h LYS 592 N 0.26 0.22 -2.70 3.15 3.64 -0.74 -3.39 116.57 117.02 3g2j h LYS 592 Ca 0.16 -0.12 -0.60 0.00 -1.27 0.00 0.00 60.65 58.81 3g2j h LYS 592 Cb 0.29 0.01 -0.40 0.00 -0.41 0.00 0.00 32.23 31.71 3g2j h LYS 592 CO -0.03 0.66 -0.77 0.39 -2.27 0.00 0.00 179.45 177.43 3g2j n GLU 593 N -4.66 1.13 0.10 1.90 1.02 -0.48 -4.99 120.64 114.65 3g2j n GLU 593 Ca -0.07 -3.89 0.03 0.00 -0.02 0.00 0.00 57.16 53.21 3g2j n GLU 593 Cb 0.33 -1.98 0.42 0.00 -0.02 0.00 0.00 31.44 30.19 3g2j n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3g2j h PRO 594 N 5.38 0.29 -0.64 3.49 0.11 -1.42 -2.79 132.00 136.42 3g2j h PRO 594 Ca 0.20 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3g2j h PRO 594 Cb 0.82 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3g2j h PRO 594 CO 0.57 0.34 0.00 0.09 -0.21 0.00 0.00 178.00 178.79 3g2j n ASN 595 N -4.35 4.53 -4.87 -2.05 4.13 -1.26 -4.88 115.26 106.51 3g2j n ASN 595 Ca -0.00 -2.53 -0.36 0.00 1.68 0.00 0.00 54.58 53.37 3g2j n ASN 595 Cb 0.20 -0.58 -0.06 0.00 -1.54 0.00 0.00 39.78 37.80 3g2j n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3g2j s LYS 596 N -2.05 3.62 0.15 3.52 2.36 -1.05 -5.06 119.74 121.23 3g2j s LYS 596 Ca 0.46 0.03 -0.30 0.00 -2.55 0.00 0.00 55.97 53.61 3g2j s LYS 596 Cb 0.31 -3.15 -0.08 0.00 -1.05 0.00 0.00 37.83 33.87 3g2j s LYS 596 CO 0.19 0.70 1.25 0.12 1.55 0.00 0.00 175.35 179.16 3g2j s PHE 597 N -1.16 3.36 0.02 4.03 5.36 -1.26 -5.04 117.98 123.30 3g2j s PHE 597 Ca 0.23 1.27 0.04 0.00 -0.96 0.00 0.00 56.93 57.51 3g2j s PHE 597 Cb -0.14 -3.51 -0.02 0.00 -0.34 0.00 0.00 43.02 39.02 3g2j s PHE 597 CO 0.12 -1.57 -0.13 0.14 -1.46 0.00 0.00 175.22 172.32 3g2j s VAL 598 N 0.45 1.00 0.03 3.12 -7.23 -1.26 -5.11 120.40 111.40 3g2j s VAL 598 Ca 0.57 -0.84 -0.30 0.00 -1.81 0.00 0.00 61.98 59.60 3g2j s VAL 598 Cb -0.33 -0.89 -0.08 0.00 0.56 0.00 0.00 36.38 35.63 3g2j s VAL 598 CO 0.34 0.06 1.82 -0.69 -0.31 0.00 0.00 175.10 176.31 3g2j s VAL 599 N -0.70 3.13 0.38 1.32 1.01 -1.26 -4.94 120.40 119.34 3g2j s VAL 599 Ca 0.02 0.29 -0.27 0.00 0.00 0.00 0.00 61.98 62.01 3g2j s VAL 599 Cb -0.07 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 3g2j s VAL 599 CO 0.01 -0.02 1.33 -2.84 0.00 0.00 0.00 175.10 173.58 3g2j s PRO 600 N 3.89 4.09 0.01 2.72 0.02 -1.26 -4.91 135.00 139.55 3g2j s PRO 600 Ca 0.81 2.24 0.03 0.00 0.02 0.00 0.00 61.00 64.10 3g2j s PRO 600 Cb -0.40 -2.87 -0.01 0.00 0.02 0.00 0.00 34.50 31.24 3g2j s PRO 600 CO 0.36 -0.42 -0.11 1.03 -0.33 0.00 0.00 177.00 177.53 3g2j s ARG 601 N -2.10 0.82 -0.34 5.54 0.52 -0.33 -0.55 118.95 122.52 3g2j s ARG 601 Ca 0.54 -0.47 -0.10 0.00 -0.52 0.00 0.00 55.73 55.18 3g2j s ARG 601 Cb -0.40 -0.79 0.01 0.00 0.52 0.00 0.00 34.95 34.29 3g2j s ARG 601 CO 0.52 0.21 0.17 0.99 0.02 0.00 0.00 175.30 177.21 3g2j s THR 602 N -0.43 4.50 -0.38 0.02 2.01 0.46 -1.61 115.64 120.20 3g2j s THR 602 Ca 0.03 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 3g2j s THR 602 Cb -0.05 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.04 3g2j s THR 602 CO -0.00 -0.10 0.42 -0.69 -0.69 0.00 0.00 174.62 173.56 3g2j s VAL 603 N 1.56 5.10 -0.20 3.82 1.01 0.14 -0.35 120.40 131.49 3g2j s VAL 603 Ca 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 3g2j s VAL 603 Cb -0.18 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 3g2j s VAL 603 CO 0.06 -0.26 -0.06 -0.04 0.00 0.00 0.00 175.10 174.81 3g2j s MET 604 N 2.14 3.41 -0.07 2.72 -1.94 0.13 -0.23 119.30 125.46 3g2j s MET 604 Ca 0.13 -0.62 0.03 0.00 -1.71 0.00 0.00 55.69 53.52 3g2j s MET 604 Cb -0.16 -2.93 0.01 0.00 2.01 0.00 0.00 34.83 33.76 3g2j s MET 604 CO 0.13 -0.07 -0.15 0.42 -0.01 0.00 0.00 175.02 175.34 3g2j s ILE 605 N 1.14 1.35 0.13 2.53 1.01 -0.35 -0.29 121.20 126.72 3g2j s ILE 605 Ca 0.02 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 60.01 3g2j s ILE 605 Cb -0.14 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 3g2j s ILE 605 CO -0.01 0.40 0.16 -0.83 0.00 0.00 0.00 174.94 174.66 3g2j s GLY 606 N 0.57 0.61 0.00 6.18 0.00 -0.60 -0.41 107.32 113.66 3g2j s GLY 606 Ca -0.15 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.48 3g2j s GLY 606 CO 0.05 -1.07 0.00 0.61 0.00 0.00 0.00 173.10 172.69 3g2j n GLY 607 N -0.12 4.36 3.88 0.20 0.00 -1.25 -2.39 105.19 109.87 3g2j n GLY 607 Ca -0.08 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 3g2j n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g2j s LYS 608 N -3.14 3.65 -0.12 1.61 1.02 -1.26 -4.62 119.74 116.90 3g2j s LYS 608 Ca 0.00 0.01 -0.06 0.00 0.02 0.00 0.00 55.97 55.93 3g2j s LYS 608 Cb 0.00 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 3g2j s LYS 608 CO 0.00 0.57 0.12 0.00 -0.92 0.00 0.00 175.35 175.12 3g2j s ALA 609 N -1.43 3.81 0.31 5.17 0.00 -1.26 -1.16 121.76 127.20 3g2j s ALA 609 Ca 0.33 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 3g2j s ALA 609 Cb -0.13 -1.91 -0.11 0.00 0.00 0.00 0.00 23.12 20.97 3g2j s ALA 609 CO 0.19 0.62 1.57 0.00 0.00 0.00 0.00 175.76 178.14 3g2j s ALA 610 N -1.01 3.71 0.52 0.00 0.00 -1.26 -4.87 121.76 118.85 3g2j s ALA 610 Ca 0.15 1.58 0.30 0.00 0.00 0.00 0.00 51.96 53.98 3g2j s ALA 610 Cb -0.12 -3.64 1.44 0.00 0.00 0.00 0.00 23.12 20.79 3g2j s ALA 610 CO 0.04 -1.00 1.88 -1.35 0.00 0.00 0.00 175.76 175.33 3g2j h PRO 611 N 4.49 0.05 -0.48 0.00 0.11 -1.98 -0.81 132.00 133.38 3g2j h PRO 611 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3g2j h PRO 611 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3g2j h PRO 611 CO 0.76 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 179.00 3g2j n GLY 612 N -1.69 1.99 3.40 -0.55 0.00 -1.26 -4.81 105.19 102.27 3g2j n GLY 612 Ca 0.19 -0.70 -0.45 0.00 0.00 0.00 0.00 46.02 45.06 3g2j n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g2j s TYR 613 N -1.25 3.34 0.11 1.61 6.04 -0.31 -4.91 117.35 121.97 3g2j s TYR 613 Ca 0.39 -1.55 -0.21 0.00 0.04 0.00 0.00 57.07 55.74 3g2j s TYR 613 Cb 0.22 -4.08 -0.11 0.00 -1.04 0.00 0.00 41.96 36.95 3g2j s TYR 613 CO 0.30 -1.28 1.75 1.25 -1.54 0.00 0.00 175.55 176.03 3g2j h HIS 614 N 8.49 0.10 -0.64 4.97 -0.00 -1.87 -2.17 115.15 124.03 3g2j h HIS 614 Ca 0.08 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.50 3g2j h HIS 614 Cb 1.04 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 28.37 3g2j h HIS 614 CO 1.08 0.06 0.37 1.98 -0.00 0.00 0.00 177.93 181.42 3g2j h MET 615 N 0.11 0.69 -0.66 5.26 1.85 -1.97 -1.10 114.93 119.11 3g2j h MET 615 Ca 0.04 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.08 3g2j h MET 615 Cb 0.00 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 31.84 3g2j h MET 615 CO -0.02 0.45 0.39 0.00 -0.40 0.00 0.00 176.91 177.33 3g2j h ALA 616 N 1.31 1.46 -0.04 0.39 0.00 -1.84 -0.73 119.26 119.81 3g2j h ALA 616 Ca 0.28 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3g2j h ALA 616 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3g2j h ALA 616 CO -0.15 0.47 -0.49 0.87 0.00 0.00 0.00 179.25 179.95 3g2j h LYS 617 N 0.90 0.10 -0.17 0.00 1.57 -0.69 -2.80 116.57 115.48 3g2j h LYS 617 Ca 0.24 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.81 3g2j h LYS 617 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3g2j h LYS 617 CO -0.04 0.58 -0.53 0.52 -0.57 0.00 0.00 179.45 179.40 3g2j h MET 618 N 0.08 0.49 -0.58 3.15 2.86 -0.22 -2.48 114.93 118.23 3g2j h MET 618 Ca 0.00 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.31 3g2j h MET 618 Cb 0.90 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 3g2j h MET 618 CO 0.07 0.90 0.24 0.82 1.06 0.00 0.00 176.91 180.00 3g2j h ILE 619 N 0.38 1.22 -0.13 -1.22 2.04 -1.03 0.79 117.51 119.57 3g2j h ILE 619 Ca 0.01 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.19 3g2j h ILE 619 Cb 1.05 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3g2j h ILE 619 CO 0.10 0.27 0.05 0.40 0.00 0.00 0.00 178.15 178.96 3g2j h ILE 620 N 0.81 0.97 -0.50 -0.67 2.04 -1.43 -0.43 117.51 118.30 3g2j h ILE 620 Ca 0.20 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 66.06 3g2j h ILE 620 Cb 0.19 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 3g2j h ILE 620 CO -0.02 0.02 0.24 0.50 0.00 0.00 0.00 178.15 178.90 3g2j h LYS 621 N 0.11 0.46 -0.28 2.37 1.63 -1.18 -1.47 116.57 118.23 3g2j h LYS 621 Ca 0.06 -0.03 0.06 0.00 -0.85 0.00 0.00 60.65 59.88 3g2j h LYS 621 Cb 0.03 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.50 3g2j h LYS 621 CO -0.06 0.31 -0.07 1.25 -3.45 0.00 0.00 179.45 177.43 3g2j h LEU 622 N 0.48 -0.26 -0.18 5.20 6.46 -0.48 0.12 115.31 126.64 3g2j h LEU 622 Ca 0.22 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 58.09 3g2j h LEU 622 Cb 0.14 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 3g2j h LEU 622 CO -0.16 -0.09 0.01 0.40 -0.62 0.00 0.00 178.44 177.97 3g2j h ILE 623 N -0.00 0.88 -0.26 4.05 2.04 -0.54 0.20 117.51 123.88 3g2j h ILE 623 Ca 0.13 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 3g2j h ILE 623 Cb 0.21 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3g2j h ILE 623 CO -0.29 0.01 -0.13 0.71 0.00 0.00 0.00 178.15 178.45 3g2j h THR 624 N 0.07 1.22 -0.51 -0.27 1.35 -1.08 -1.42 112.91 112.27 3g2j h THR 624 Ca 0.08 -1.00 -0.12 0.00 -0.55 0.00 0.00 66.41 64.82 3g2j h THR 624 Cb 0.10 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 3g2j h THR 624 CO -0.13 0.32 -0.17 0.00 -0.25 0.00 0.00 175.52 175.29 3g2j h ALA 625 N 1.45 0.74 -0.07 6.62 0.00 0.04 -0.39 119.26 127.64 3g2j h ALA 625 Ca 0.08 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3g2j h ALA 625 Cb 0.48 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3g2j h ALA 625 CO 0.03 0.67 0.03 0.82 0.00 0.00 0.00 179.25 180.80 3g2j h ILE 626 N 0.88 1.12 -0.79 0.00 2.04 -0.35 -2.74 117.51 117.67 3g2j h ILE 626 Ca 0.13 -0.35 0.13 0.00 1.00 0.00 0.00 64.86 65.76 3g2j h ILE 626 Cb 0.74 1.23 -0.09 0.00 -0.74 0.00 0.00 36.82 37.97 3g2j h ILE 626 CO 0.06 0.10 0.38 1.23 0.00 0.00 0.00 178.15 179.92 3g2j h GLY 627 N -0.03 1.23 0.44 5.37 0.00 -1.12 0.17 103.07 109.12 3g2j h GLY 627 Ca 0.02 -0.22 0.10 0.00 0.00 0.00 0.00 47.33 47.23 3g2j h GLY 627 CO -0.00 -0.02 0.35 -0.55 0.00 0.00 0.00 176.54 176.32 3g2j h ASP 628 N 0.58 0.45 0.07 0.19 3.45 -0.86 0.24 116.42 120.54 3g2j h ASP 628 Ca 0.42 0.07 -0.00 0.00 0.43 0.00 0.00 57.03 57.94 3g2j h ASP 628 Cb 0.56 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 3g2j h ASP 628 CO -0.34 0.25 -0.03 0.58 -1.57 0.00 0.00 179.24 178.12 3g2j h VAL 629 N 0.59 1.11 -0.26 -1.35 2.07 -1.07 -3.33 116.25 114.00 3g2j h VAL 629 Ca 0.36 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 3g2j h VAL 629 Cb 0.40 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3g2j h VAL 629 CO -0.28 0.32 0.09 0.58 0.02 0.00 0.00 177.57 178.30 3g2j h VAL 630 N -0.87 1.19 0.00 2.57 2.07 -0.59 -2.67 116.25 117.95 3g2j h VAL 630 Ca -0.01 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3g2j h VAL 630 Cb 0.61 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3g2j h VAL 630 CO 0.02 0.20 0.00 0.78 0.02 0.00 0.00 177.57 178.59 3g2j h ASN 631 N 0.26 0.00 -0.14 0.57 2.35 -0.69 -2.91 115.58 115.01 3g2j h ASN 631 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3g2j h ASN 631 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3g2j h ASN 631 CO -0.00 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.19 3g2j n HIS 632 N -2.39 0.19 -2.74 1.19 8.25 -1.15 -4.94 115.22 113.63 3g2j n HIS 632 Ca 0.02 -0.34 -0.43 0.00 -0.26 0.00 0.00 57.72 56.71 3g2j n HIS 632 Cb 0.26 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 3g2j n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3g2j s ASP 633 N -0.86 6.88 0.31 0.41 -1.08 -1.02 -4.94 116.67 116.38 3g2j s ASP 633 Ca 0.12 1.00 0.05 0.00 -0.52 0.00 0.00 52.55 53.20 3g2j s ASP 633 Cb 0.07 -2.50 0.52 0.00 -1.46 0.00 0.00 42.92 39.55 3g2j s ASP 633 CO 0.09 -0.76 1.78 -0.65 0.52 0.00 0.00 175.17 176.15 3g2j h PRO 634 N 7.97 0.38 -0.14 4.34 0.11 -1.92 -2.59 132.00 140.14 3g2j h PRO 634 Ca -0.21 -0.13 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 3g2j h PRO 634 Cb 1.07 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3g2j h PRO 634 CO 0.98 0.59 -0.03 0.28 -0.21 0.00 0.00 178.00 179.61 3g2j h VAL 635 N 0.34 1.11 -0.19 3.15 2.07 -1.97 -2.77 116.25 117.98 3g2j h VAL 635 Ca 0.05 -0.45 -0.11 0.00 0.82 0.00 0.00 66.70 67.02 3g2j h VAL 635 Cb 0.60 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3g2j h VAL 635 CO 0.04 0.15 -0.29 0.58 0.02 0.00 0.00 177.57 178.07 3g2j h VAL 636 N 0.20 1.34 0.00 2.57 2.07 -1.80 -3.49 116.25 117.14 3g2j h VAL 636 Ca 0.05 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.06 3g2j h VAL 636 Cb 0.19 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3g2j h VAL 636 CO 0.01 0.46 0.00 0.61 0.02 0.00 0.00 177.57 178.67 3g2j n GLY 637 N 0.32 1.70 1.66 2.17 0.00 -1.05 -2.54 105.19 107.45 3g2j n GLY 637 Ca -0.06 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 3g2j n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3g2j n ASP 638 N 0.64 3.94 0.10 1.61 5.68 -1.26 -4.24 116.55 123.02 3g2j n ASP 638 Ca 0.00 -2.87 -0.00 0.00 -0.50 0.00 0.00 54.79 51.41 3g2j n ASP 638 Cb 0.00 -0.68 -0.03 0.00 -1.14 0.00 0.00 41.12 39.27 3g2j n ASP 638 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3g2j h ARG 639 N 1.79 0.00 -3.01 0.11 3.08 -1.83 -3.43 114.38 111.09 3g2j h ARG 639 Ca 0.21 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.03 3g2j h ARG 639 Cb 1.91 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 31.63 3g2j h ARG 639 CO 0.55 0.58 -0.54 -1.17 -1.07 0.00 0.00 179.97 178.32 3g2j s LEU 640 N -6.41 0.10 -0.04 3.04 2.96 -1.26 -1.18 118.68 115.89 3g2j s LEU 640 Ca 0.02 0.48 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 3g2j s LEU 640 Cb 0.08 0.59 0.00 0.00 0.50 0.00 0.00 46.19 47.36 3g2j s LEU 640 CO 0.77 -0.21 -0.12 -0.13 -1.32 0.00 0.00 176.35 175.34 3g2j s ARG 641 N 1.86 1.39 -0.25 1.98 1.81 -0.64 -4.65 118.95 120.45 3g2j s ARG 641 Ca -0.03 -0.43 -0.01 0.00 -1.72 0.00 0.00 55.73 53.54 3g2j s ARG 641 Cb -0.11 -1.23 0.03 0.00 -0.45 0.00 0.00 34.95 33.19 3g2j s ARG 641 CO -0.08 0.14 -0.08 0.08 -0.68 0.00 0.00 175.30 174.69 3g2j s VAL 642 N 0.24 2.71 -0.13 3.52 1.01 -1.26 0.23 120.40 126.72 3g2j s VAL 642 Ca -0.06 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 60.81 3g2j s VAL 642 Cb -0.11 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.87 3g2j s VAL 642 CO 0.02 0.18 -0.19 -0.63 0.00 0.00 0.00 175.10 174.48 3g2j s ILE 643 N 1.29 2.41 -0.34 2.22 -1.09 0.68 -4.53 121.20 121.83 3g2j s ILE 643 Ca -0.01 -0.87 -0.19 0.00 -2.23 0.00 0.00 60.65 57.35 3g2j s ILE 643 Cb -0.17 -1.98 -0.00 0.00 -1.58 0.00 0.00 42.46 38.73 3g2j s ILE 643 CO -0.05 0.54 0.54 0.12 -1.23 0.00 0.00 174.94 174.85 3g2j s PHE 644 N 0.64 3.18 -0.47 3.97 2.19 -1.26 -1.21 117.98 125.03 3g2j s PHE 644 Ca -0.10 0.25 -0.29 0.00 0.33 0.00 0.00 56.93 57.12 3g2j s PHE 644 Cb -0.16 -2.95 0.03 0.00 -1.31 0.00 0.00 43.02 38.62 3g2j s PHE 644 CO 0.02 -0.54 1.17 -0.51 1.83 0.00 0.00 175.22 177.19 3g2j s LEU 645 N 2.45 3.62 0.31 6.12 1.43 0.45 -4.96 118.68 128.11 3g2j s LEU 645 Ca 0.20 0.49 -0.28 0.00 -1.03 0.00 0.00 54.13 53.52 3g2j s LEU 645 Cb -0.15 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 3g2j s LEU 645 CO 0.13 -1.28 1.06 -0.70 0.23 0.00 0.00 176.35 175.79 3g2j s GLU 646 N 4.53 4.53 -1.27 1.70 2.12 -1.26 -3.89 118.70 125.16 3g2j s GLU 646 Ca 0.49 1.67 -0.06 0.00 0.36 0.00 0.00 54.97 57.44 3g2j s GLU 646 Cb -0.08 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 31.31 3g2j s GLU 646 CO 0.32 0.15 1.09 -1.71 -0.54 0.00 0.00 175.26 174.57 3g2j n ASN 647 N 0.85 -4.77 -4.71 -1.70 5.15 -1.25 -4.92 115.26 103.91 3g2j n ASN 647 Ca 0.01 -0.55 -0.43 0.00 -0.60 0.00 0.00 54.58 53.00 3g2j n ASN 647 Cb 0.46 -4.95 -0.03 0.00 -0.53 0.00 0.00 39.78 34.73 3g2j n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3g2j n TYR 648 N -4.63 2.66 -3.83 1.20 9.36 -1.26 -4.85 117.16 115.81 3g2j n TYR 648 Ca -0.09 0.14 -0.05 0.00 3.32 0.00 0.00 57.90 61.21 3g2j n TYR 648 Cb 0.60 -2.63 0.01 0.00 -0.63 0.00 0.00 39.34 36.69 3g2j n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 3g2j s ARG 649 N 0.73 1.58 0.12 2.98 1.70 -1.26 -4.68 118.95 120.12 3g2j s ARG 649 Ca 0.73 -0.98 -0.20 0.00 -0.47 0.00 0.00 55.73 54.82 3g2j s ARG 649 Cb -0.54 0.47 -0.05 0.00 -0.57 0.00 0.00 34.95 34.26 3g2j s ARG 649 CO 0.37 -0.74 1.74 0.28 -1.08 0.00 0.00 175.30 175.87 3g2j h VAL 650 N 2.00 0.92 0.00 4.99 2.07 -1.95 0.77 116.25 125.05 3g2j h VAL 650 Ca -0.27 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3g2j h VAL 650 Cb 1.23 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3g2j h VAL 650 CO 0.34 0.02 -0.16 0.77 0.02 0.00 0.00 177.57 178.56 3g2j h SER 651 N 0.12 0.00 0.27 0.57 4.64 -1.97 -0.85 113.55 116.33 3g2j h SER 651 Ca 0.08 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.15 3g2j h SER 651 Cb 0.07 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3g2j h SER 651 CO -0.11 0.16 -1.06 0.25 -0.87 0.00 0.00 176.83 175.20 3g2j h LEU 652 N 0.00 0.66 -1.31 5.97 5.85 -1.70 -3.20 115.31 121.58 3g2j h LEU 652 Ca -0.00 -0.56 0.08 0.00 0.84 0.00 0.00 57.88 58.24 3g2j h LEU 652 Cb 0.31 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3g2j h LEU 652 CO 0.02 1.38 0.52 0.00 -0.34 0.00 0.00 178.44 180.02 3g2j h ALA 653 N 0.57 1.70 0.00 1.25 0.00 0.45 -0.94 119.26 122.28 3g2j h ALA 653 Ca -0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3g2j h ALA 653 Cb 1.72 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 3g2j h ALA 653 CO 0.19 0.15 -0.09 0.93 0.00 0.00 0.00 179.25 180.43 3g2j h GLU 654 N 0.79 0.00 0.03 0.00 5.08 -1.25 -2.00 114.58 117.23 3g2j h GLU 654 Ca 0.36 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.40 3g2j h GLU 654 Cb 0.36 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3g2j h GLU 654 CO -0.13 0.09 -1.76 1.63 -1.00 0.00 0.00 179.01 177.84 3g2j n LYS 655 N -3.30 0.63 0.09 2.33 5.02 -0.56 -4.45 118.16 117.92 3g2j n LYS 655 Ca -0.00 0.41 -0.12 0.00 -2.02 0.00 0.00 58.31 56.58 3g2j n LYS 655 Cb 0.31 -1.68 -0.08 0.00 -0.02 0.00 0.00 35.03 33.56 3g2j n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3g2j h VAL 656 N -0.65 1.50 0.02 -0.18 3.04 -1.24 -3.32 116.25 115.42 3g2j h VAL 656 Ca -0.45 -2.84 -0.00 0.00 -1.01 0.00 0.00 66.70 62.40 3g2j h VAL 656 Cb 1.59 2.68 0.00 0.00 -2.01 0.00 0.00 31.29 33.55 3g2j h VAL 656 CO -0.16 0.83 -0.01 0.40 -1.01 0.00 0.00 177.57 177.62 3g2j h ILE 657 N 0.11 1.10 -0.01 3.17 2.04 -1.59 -1.91 117.51 120.42 3g2j h ILE 657 Ca -0.08 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3g2j h ILE 657 Cb 1.72 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 39.16 3g2j h ILE 657 CO 0.17 0.10 0.13 -0.65 0.00 0.00 0.00 178.15 177.89 3g2j h PRO 658 N -0.19 0.00 -0.00 2.37 0.11 -1.78 -1.96 132.00 130.55 3g2j h PRO 658 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3g2j h PRO 658 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3g2j h PRO 658 CO 0.00 0.00 -0.42 0.00 -0.21 0.00 0.00 178.00 177.38 3g2j n ALA 659 N -2.03 3.40 -1.94 -0.75 0.00 -0.76 -4.71 120.51 113.72 3g2j n ALA 659 Ca -0.02 -0.40 -0.37 0.00 0.00 0.00 0.00 53.44 52.65 3g2j n ALA 659 Cb 0.19 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 3g2j n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g2j s ALA 660 N -2.76 3.34 -0.23 0.00 0.00 -0.74 -4.61 121.76 116.77 3g2j s ALA 660 Ca 0.17 0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.54 3g2j s ALA 660 Cb 0.18 -3.01 -0.20 0.00 0.00 0.00 0.00 23.12 20.10 3g2j s ALA 660 CO 0.62 0.26 -0.08 -0.25 0.00 0.00 0.00 175.76 176.31 3g2j n ASP 661 N 0.90 1.59 -4.04 0.00 8.00 -0.51 -3.98 116.55 118.52 3g2j n ASP 661 Ca -0.01 -0.06 -0.29 0.00 0.71 0.00 0.00 54.79 55.14 3g2j n ASP 661 Cb 0.50 -0.19 -0.17 0.00 -0.02 0.00 0.00 41.12 41.25 3g2j n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3g2j s LEU 662 N -6.37 1.67 -0.28 0.64 0.20 -0.38 0.25 118.68 114.41 3g2j s LEU 662 Ca -0.28 -0.43 -0.13 0.00 0.69 0.00 0.00 54.13 53.98 3g2j s LEU 662 Cb 0.08 -1.09 -0.04 0.00 -0.43 0.00 0.00 46.19 44.71 3g2j s LEU 662 CO 0.67 -0.01 0.27 -0.55 -0.29 0.00 0.00 176.35 176.44 3g2j s SER 663 N 1.16 6.12 -0.41 3.68 0.15 0.13 -1.31 113.70 123.22 3g2j s SER 663 Ca -0.03 0.07 -0.21 0.00 0.70 0.00 0.00 55.95 56.48 3g2j s SER 663 Cb -0.14 -2.16 0.02 0.00 -1.71 0.00 0.00 66.02 62.03 3g2j s SER 663 CO -0.04 -0.12 0.65 -1.61 1.20 0.00 0.00 173.24 173.32 3g2j s GLU 664 N 1.89 3.44 -0.55 5.44 0.41 -0.61 -1.41 118.70 127.31 3g2j s GLU 664 Ca 0.10 -0.19 0.06 0.00 -0.41 0.00 0.00 54.97 54.53 3g2j s GLU 664 Cb -0.16 -3.90 0.23 0.00 -1.78 0.00 0.00 34.13 28.52 3g2j s GLU 664 CO 0.11 -0.92 0.59 1.04 -0.49 0.00 0.00 175.26 175.58 3g2j n GLN 665 N 6.23 1.57 -0.92 1.61 1.13 -0.13 -4.77 117.38 122.10 3g2j n GLN 665 Ca -0.01 -4.02 -0.03 0.00 -1.94 0.00 0.00 57.00 51.00 3g2j n GLN 665 Cb 0.48 -1.88 0.17 0.00 0.11 0.00 0.00 30.24 29.13 3g2j n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3g2j n ILE 666 N 1.46 2.41 -2.03 5.09 -5.35 -1.26 -2.23 119.36 117.44 3g2j n ILE 666 Ca 0.26 -3.26 -0.38 0.00 -0.27 0.00 0.00 62.75 59.09 3g2j n ILE 666 Cb 0.44 -0.44 0.01 0.00 -1.74 0.00 0.00 39.64 37.92 3g2j n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3g2j s SER 667 N -3.05 5.90 0.19 7.28 1.04 -1.26 -4.58 113.70 119.22 3g2j s SER 667 Ca 0.43 2.57 -0.33 0.00 0.48 0.00 0.00 55.95 59.10 3g2j s SER 667 Cb 0.39 -2.63 -0.14 0.00 0.10 0.00 0.00 66.02 63.75 3g2j s SER 667 CO -0.03 -1.12 1.55 0.41 0.98 0.00 0.00 173.24 175.02 3g2j n THR 668 N -0.49 0.27 -1.61 2.02 -1.04 -1.11 -4.66 114.28 107.67 3g2j n THR 668 Ca 0.07 -0.07 -0.52 0.00 -2.04 0.00 0.00 64.05 61.50 3g2j n THR 668 Cb 0.46 -1.57 -0.06 0.00 -1.82 0.00 0.00 70.33 67.34 3g2j n THR 668 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g2j n ALA 669 N 3.02 -0.58 -0.04 2.41 0.00 -1.26 -2.12 120.51 121.94 3g2j n ALA 669 Ca 0.15 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3g2j n ALA 669 Cb 0.30 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3g2j n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g2j n GLY 670 N 2.80 0.58 0.10 0.00 0.00 -1.26 -4.71 105.19 102.71 3g2j n GLY 670 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 3g2j n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g2j n THR 671 N -2.01 0.77 -2.72 2.61 -2.24 -0.90 -4.87 114.28 104.92 3g2j n THR 671 Ca 0.00 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.07 3g2j n THR 671 Cb 0.00 -1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 67.18 3g2j n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3g2j s GLU 672 N -2.27 3.40 0.23 -0.78 2.56 -1.26 -4.70 118.70 115.88 3g2j s GLU 672 Ca -0.18 -0.05 -0.09 0.00 0.00 0.00 0.00 54.97 54.65 3g2j s GLU 672 Cb 0.05 -4.04 0.36 0.00 2.00 0.00 0.00 34.13 32.50 3g2j s GLU 672 CO 0.31 -1.59 1.67 0.00 -0.56 0.00 0.00 175.26 175.09 3g2j h ALA 673 N 9.43 0.74 0.00 6.30 0.00 -1.89 -3.00 119.26 130.84 3g2j h ALA 673 Ca -0.26 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3g2j h ALA 673 Cb 1.07 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3g2j h ALA 673 CO 1.14 -0.37 0.00 0.45 0.00 0.00 0.00 179.25 180.46 3g2j n SER 674 N -5.24 -0.44 0.00 0.00 2.88 -1.26 -4.11 113.62 105.45 3g2j n SER 674 Ca 0.11 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 3g2j n SER 674 Cb 0.40 0.58 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 3g2j n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g2j n GLY 675 N 1.17 -2.75 0.00 0.46 0.00 -1.26 -0.62 105.19 102.18 3g2j n GLY 675 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3g2j n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g2j n THR 676 N -1.38 0.00 -0.30 2.61 -2.24 -1.26 -4.72 114.28 106.98 3g2j n THR 676 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 3g2j n THR 676 Cb 0.00 -0.11 0.19 0.00 -2.10 0.00 0.00 70.33 68.31 3g2j n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3g2j h GLY 677 N 0.00 1.35 -0.11 3.38 0.00 -1.95 -1.93 103.07 103.81 3g2j h GLY 677 Ca 0.00 -0.32 0.16 0.00 0.00 0.00 0.00 47.33 47.17 3g2j h GLY 677 CO 0.00 0.11 0.16 3.45 0.00 0.00 0.00 176.54 180.26 3g2j h ASN 678 N 0.80 -0.02 0.00 0.19 -0.00 -1.94 -1.31 115.58 113.29 3g2j h ASN 678 Ca 0.42 0.15 0.00 0.00 -0.00 0.00 0.00 56.30 56.87 3g2j h ASN 678 Cb 0.42 0.21 0.00 0.00 -0.00 0.00 0.00 38.32 38.96 3g2j h ASN 678 CO -0.27 -0.06 0.00 0.23 -0.00 0.00 0.00 177.43 177.34 3g2j n MET 679 N -5.18 0.36 0.00 4.14 2.81 -0.73 -1.46 117.12 117.06 3g2j n MET 679 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 3g2j n MET 679 Cb 0.47 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 3g2j n MET 679 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3g2j n PHE 681 N 0.76 0.00 -0.31 2.03 3.72 -0.49 -1.10 117.46 122.06 3g2j n PHE 681 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 3g2j n PHE 681 Cb 0.17 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.78 3g2j n PHE 681 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 3g2j h MET 682 N 0.00 1.13 0.00 -1.08 4.05 -1.47 -2.49 114.93 115.07 3g2j h MET 682 Ca 0.00 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 3g2j h MET 682 Cb 0.00 -0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 30.56 3g2j h MET 682 CO 0.00 0.79 -0.12 1.25 0.23 0.00 0.00 176.91 179.06 3g2j h LEU 683 N 1.14 0.00 -3.02 3.39 5.85 -1.40 -3.28 115.31 118.00 3g2j h LEU 683 Ca 0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3g2j h LEU 683 Cb -0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3g2j h LEU 683 CO -0.06 0.12 0.00 0.59 -0.34 0.00 0.00 178.44 178.75 3g2j n ASN 684 N -3.34 3.11 0.00 1.25 3.02 -1.02 -4.91 115.26 113.37 3g2j n ASN 684 Ca -0.00 -2.38 0.00 0.00 -0.03 0.00 0.00 54.58 52.17 3g2j n ASN 684 Cb 0.32 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3g2j n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g2j n GLY 685 N -0.01 1.07 3.77 7.41 0.00 -1.13 -4.71 105.19 111.58 3g2j n GLY 685 Ca 0.14 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 3g2j n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g2j s ALA 686 N -2.00 3.55 0.43 4.61 0.00 -0.97 -4.75 121.76 122.63 3g2j s ALA 686 Ca 0.00 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 3g2j s ALA 686 Cb 0.00 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 3g2j s ALA 686 CO 0.00 0.70 0.78 -0.51 0.00 0.00 0.00 175.76 176.72 3g2j s LEU 687 N -1.83 3.75 -0.17 0.00 1.43 0.14 -4.43 118.68 117.57 3g2j s LEU 687 Ca 0.24 1.07 -0.03 0.00 -1.03 0.00 0.00 54.13 54.38 3g2j s LEU 687 Cb -0.12 -3.98 -0.02 0.00 0.03 0.00 0.00 46.19 42.11 3g2j s LEU 687 CO 0.15 -0.46 -0.07 -0.89 0.23 0.00 0.00 176.35 175.31 3g2j s THR 688 N -2.50 3.48 -0.26 5.49 2.01 -1.26 0.19 115.64 122.79 3g2j s THR 688 Ca 0.50 -0.49 -0.10 0.00 0.31 0.00 0.00 61.69 61.91 3g2j s THR 688 Cb -0.10 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 3g2j s THR 688 CO 0.36 0.48 0.15 -0.51 -0.69 0.00 0.00 174.62 174.41 3g2j s ILE 689 N 0.71 5.05 0.11 1.82 2.07 -0.50 -1.07 121.20 129.40 3g2j s ILE 689 Ca -0.03 0.08 -0.25 0.00 -1.41 0.00 0.00 60.65 59.04 3g2j s ILE 689 Cb -0.15 -3.38 0.08 0.00 0.13 0.00 0.00 42.46 39.14 3g2j s ILE 689 CO 0.02 0.30 0.67 -0.83 -1.91 0.00 0.00 174.94 173.19 3g2j s GLY 690 N 1.50 -0.58 0.63 1.50 0.00 -0.44 -0.95 107.32 108.98 3g2j s GLY 690 Ca 0.07 0.66 -0.09 0.00 0.00 0.00 0.00 44.72 45.35 3g2j s GLY 690 CO 0.07 0.25 0.99 -0.51 0.00 0.00 0.00 173.10 173.91 3g2j s THR 691 N -3.46 4.00 -1.35 0.90 -4.23 -0.95 -2.32 115.64 108.23 3g2j s THR 691 Ca 0.01 0.42 -0.16 0.00 -1.18 0.00 0.00 61.69 60.78 3g2j s THR 691 Cb -0.01 -3.61 0.03 0.00 1.34 0.00 0.00 72.50 70.25 3g2j s THR 691 CO -0.11 -0.74 2.04 0.23 -0.54 0.00 0.00 174.62 175.50 3g2j n MET 692 N -2.75 2.81 -4.24 3.99 2.81 -1.26 -4.65 117.12 113.83 3g2j n MET 692 Ca 0.05 -2.75 -0.19 0.00 -1.81 0.00 0.00 57.70 53.00 3g2j n MET 692 Cb 0.56 -3.35 -0.12 0.00 -0.71 0.00 0.00 33.22 29.60 3g2j n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3g2j s ASP 693 N 3.79 1.71 0.51 7.83 3.68 -1.26 -4.60 116.67 128.33 3g2j s ASP 693 Ca 0.51 -0.56 0.00 0.00 2.13 0.00 0.00 52.55 54.63 3g2j s ASP 693 Cb 0.10 -0.07 0.00 0.00 -1.45 0.00 0.00 42.92 41.50 3g2j s ASP 693 CO -0.01 -0.03 0.00 0.61 0.13 0.00 0.00 175.17 175.87 3g2j n GLY 694 N 1.49 2.36 0.08 2.66 0.00 -1.13 -1.55 105.19 109.10 3g2j n GLY 694 Ca -0.20 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.77 3g2j n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g2j n ALA 695 N 7.51 1.98 -0.30 4.61 0.00 0.21 -3.13 120.51 131.39 3g2j n ALA 695 Ca 0.00 -0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.52 3g2j n ALA 695 Cb 0.00 -1.40 0.25 0.00 0.00 0.00 0.00 19.45 18.29 3g2j n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3g2j h ASN 696 N 0.00 0.48 -0.54 0.00 2.35 -1.47 0.24 115.58 116.63 3g2j h ASN 696 Ca 0.00 0.11 0.08 0.00 -0.55 0.00 0.00 56.30 55.93 3g2j h ASN 696 Cb 0.49 0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.84 3g2j h ASN 696 CO 0.00 0.16 0.20 0.58 -1.65 0.00 0.00 177.43 176.72 3g2j h VAL 697 N 0.56 0.81 0.00 2.81 2.07 -1.61 0.99 116.25 121.89 3g2j h VAL 697 Ca 0.49 -0.13 -0.17 0.00 0.82 0.00 0.00 66.70 67.71 3g2j h VAL 697 Cb 0.76 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3g2j h VAL 697 CO -0.41 0.07 -0.80 -0.33 0.02 0.00 0.00 177.57 176.12 3g2j h GLU 698 N 0.38 0.02 -0.23 1.57 5.08 -1.46 -1.42 114.58 118.52 3g2j h GLU 698 Ca 0.26 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 3g2j h GLU 698 Cb 0.29 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3g2j h GLU 698 CO -0.26 0.81 0.01 0.52 -1.00 0.00 0.00 179.01 179.09 3g2j h MET 699 N 0.01 0.40 -0.42 2.33 2.86 -0.43 0.25 114.93 119.94 3g2j h MET 699 Ca -0.01 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3g2j h MET 699 Cb 1.42 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.02 3g2j h MET 699 CO 0.11 0.58 0.28 0.00 1.06 0.00 0.00 176.91 178.93 3g2j h ALA 700 N 0.81 0.53 -0.46 6.32 0.00 -0.81 -0.32 119.26 125.33 3g2j h ALA 700 Ca 0.07 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3g2j h ALA 700 Cb 0.39 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3g2j h ALA 700 CO 0.01 -0.01 0.17 1.49 0.00 0.00 0.00 179.25 180.91 3g2j h GLU 701 N 0.57 0.34 -0.15 0.00 4.81 -1.14 0.42 114.58 119.44 3g2j h GLU 701 Ca 0.15 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3g2j h GLU 701 Cb -0.06 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3g2j h GLU 701 CO -0.03 0.23 0.03 0.93 -0.73 0.00 0.00 179.01 179.43 3g2j h GLU 702 N 0.35 0.24 0.00 1.92 4.39 -0.66 -3.24 114.58 117.58 3g2j h GLU 702 Ca 0.22 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 3g2j h GLU 702 Cb 0.21 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3g2j h GLU 702 CO -0.21 0.42 -0.22 0.00 -1.16 0.00 0.00 179.01 177.84 3g2j h ALA 703 N 0.81 0.86 0.00 3.43 0.00 -0.94 -3.46 119.26 119.96 3g2j h ALA 703 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3g2j h ALA 703 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3g2j h ALA 703 CO 0.00 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.93 3g2j n GLY 704 N 1.15 0.35 0.30 0.00 0.00 0.15 -4.58 105.19 102.56 3g2j n GLY 704 Ca 0.03 -1.40 0.19 0.00 0.00 0.00 0.00 46.02 44.84 3g2j n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3g2j h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.87 -1.16 114.58 118.24 3g2j h GLU 705 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3g2j h GLU 705 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3g2j h GLU 705 CO 0.00 0.01 -0.03 0.93 -1.00 0.00 0.00 179.01 178.92 3g2j h GLU 706 N 0.00 0.00 -0.37 2.33 3.07 -1.90 -3.02 114.58 114.69 3g2j h GLU 706 Ca -0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3g2j h GLU 706 Cb 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3g2j h GLU 706 CO 0.00 0.03 0.01 0.09 -1.40 0.00 0.00 179.01 177.74 3g2j n ASN 707 N -3.14 4.40 -3.88 1.42 3.02 -0.44 -4.92 115.26 111.72 3g2j n ASN 707 Ca 0.00 -3.03 -0.15 0.00 -0.03 0.00 0.00 54.58 51.37 3g2j n ASN 707 Cb 0.32 -0.60 -0.15 0.00 -0.61 0.00 0.00 39.78 38.74 3g2j n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3g2j s PHE 708 N -2.84 0.25 -1.11 3.10 5.36 -1.14 -4.79 117.98 116.82 3g2j s PHE 708 Ca 0.46 -0.03 -0.14 0.00 -0.96 0.00 0.00 56.93 56.26 3g2j s PHE 708 Cb 0.37 -0.22 0.18 0.00 -0.34 0.00 0.00 43.02 43.00 3g2j s PHE 708 CO 0.11 -0.04 1.29 -0.06 -1.46 0.00 0.00 175.22 175.05 3g2j s PHE 709 N 0.26 3.51 -0.01 10.12 0.08 -0.23 -4.93 117.98 126.78 3g2j s PHE 709 Ca -0.02 -2.01 -0.21 0.00 0.12 0.00 0.00 56.93 54.81 3g2j s PHE 709 Cb -0.05 -4.23 -0.05 0.00 -0.57 0.00 0.00 43.02 38.12 3g2j s PHE 709 CO -0.01 -1.35 0.60 0.42 -0.10 0.00 0.00 175.22 174.78 3g2j s ILE 710 N 1.46 4.93 0.24 0.64 1.01 -1.26 -1.32 121.20 126.90 3g2j s ILE 710 Ca 0.38 1.24 -0.06 0.00 0.00 0.00 0.00 60.65 62.21 3g2j s ILE 710 Cb -0.04 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 3g2j s ILE 710 CO -0.04 0.40 0.32 0.72 0.00 0.00 0.00 174.94 176.34 3g2j s PHE 711 N -0.09 0.81 0.00 3.97 -0.71 -0.98 -4.97 117.98 116.02 3g2j s PHE 711 Ca 0.31 -1.09 0.00 0.00 -1.04 0.00 0.00 56.93 55.11 3g2j s PHE 711 Cb -0.18 -0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.44 3g2j s PHE 711 CO 0.17 -0.84 0.00 0.41 -1.34 0.00 0.00 175.22 173.62 3g2j n GLY 712 N -0.35 -0.93 3.77 1.99 0.00 -1.26 -4.25 105.19 104.16 3g2j n GLY 712 Ca 0.00 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 3g2j n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3g2j s MET 713 N -1.11 4.14 0.85 1.61 -1.94 -1.26 -4.88 119.30 116.71 3g2j s MET 713 Ca 0.00 2.53 -0.13 0.00 -1.71 0.00 0.00 55.69 56.38 3g2j s MET 713 Cb 0.00 -2.99 0.11 0.00 2.01 0.00 0.00 34.83 33.96 3g2j s MET 713 CO 0.00 -0.51 1.21 1.03 -0.01 0.00 0.00 175.02 176.74 3g2j s ARG 714 N -1.78 1.63 0.23 2.03 1.81 -1.26 -4.47 118.95 117.14 3g2j s ARG 714 Ca 0.54 -0.00 -0.07 0.00 -1.72 0.00 0.00 55.73 54.48 3g2j s ARG 714 Cb -0.46 -1.92 0.37 0.00 -0.45 0.00 0.00 34.95 32.49 3g2j s ARG 714 CO 0.59 -1.81 1.74 0.28 -0.68 0.00 0.00 175.30 175.43 3g2j h VAL 715 N -1.21 0.73 -0.71 3.52 2.07 -1.84 -2.04 116.25 116.77 3g2j h VAL 715 Ca -0.46 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 66.92 3g2j h VAL 715 Cb 1.31 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3g2j h VAL 715 CO 0.60 0.08 0.47 -0.33 0.02 0.00 0.00 177.57 178.41 3g2j h GLU 716 N 0.45 0.93 -0.43 1.57 3.07 -1.96 -1.55 114.58 116.67 3g2j h GLU 716 Ca 0.36 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 59.05 3g2j h GLU 716 Cb 0.49 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3g2j h GLU 716 CO -0.35 0.61 -0.22 -0.44 -1.40 0.00 0.00 179.01 177.22 3g2j h ASP 717 N 0.95 0.88 -0.40 1.42 3.45 -1.75 -0.99 116.42 119.98 3g2j h ASP 717 Ca 0.26 -0.33 -0.04 0.00 0.43 0.00 0.00 57.03 57.36 3g2j h ASP 717 Cb -0.10 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.41 3g2j h ASP 717 CO -0.06 1.07 0.10 0.58 -1.57 0.00 0.00 179.24 179.36 3g2j h VAL 718 N 0.75 1.23 -0.22 -1.35 2.07 -0.93 -0.73 116.25 117.07 3g2j h VAL 718 Ca 0.10 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3g2j h VAL 718 Cb 0.76 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3g2j h VAL 718 CO 0.06 0.27 0.02 0.44 0.02 0.00 0.00 177.57 178.38 3g2j h ASP 719 N 0.50 -0.04 -0.89 0.57 3.32 -1.19 0.31 116.42 119.01 3g2j h ASP 719 Ca 0.13 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.27 3g2j h ASP 719 Cb 0.31 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.87 3g2j h ASP 719 CO 0.00 0.01 0.56 0.03 -1.72 0.00 0.00 179.24 178.12 3g2j h ARG 720 N 0.10 1.03 -0.47 3.56 3.08 -1.03 -1.42 114.38 119.23 3g2j h ARG 720 Ca 0.10 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 3g2j h ARG 720 Cb 0.12 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3g2j h ARG 720 CO -0.15 0.68 -0.13 1.25 -1.07 0.00 0.00 179.97 180.54 3g2j h LEU 721 N 1.06 0.89 -0.52 3.04 6.46 -0.72 -2.34 115.31 123.18 3g2j h LEU 721 Ca 0.37 -0.29 -0.10 0.00 -0.12 0.00 0.00 57.88 57.74 3g2j h LEU 721 Cb 0.09 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.76 3g2j h LEU 721 CO -0.15 1.03 -0.07 0.44 -0.62 0.00 0.00 178.44 179.07 3g2j h ASP 722 N 0.79 0.96 -0.53 1.25 3.32 -0.43 0.29 116.42 122.08 3g2j h ASP 722 Ca 0.12 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 3g2j h ASP 722 Cb 0.66 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3g2j h ASP 722 CO 0.05 1.07 0.20 1.56 -1.72 0.00 0.00 179.24 180.40 3g2j h GLN 723 N 0.83 0.80 -0.11 3.56 4.20 -1.21 -2.70 115.11 120.48 3g2j h GLN 723 Ca 0.14 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 3g2j h GLN 723 Cb 0.62 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 3g2j h GLN 723 CO 0.04 0.71 -0.46 -0.09 -0.67 0.00 0.00 178.83 178.36 3g2j h ARG 724 N 0.72 0.28 0.00 1.46 2.43 -1.31 -3.49 114.38 114.46 3g2j h ARG 724 Ca 0.18 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3g2j h ARG 724 Cb 0.21 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3g2j h ARG 724 CO -0.01 0.68 0.00 0.41 -1.51 0.00 0.00 179.97 179.54 3g2j n GLY 725 N -0.05 1.60 3.59 2.80 0.00 0.10 -5.00 105.19 108.22 3g2j n GLY 725 Ca -0.02 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 3g2j n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g2j s TYR 726 N 0.00 3.05 -0.51 1.61 5.04 -1.20 -4.83 117.35 120.50 3g2j s TYR 726 Ca 0.00 0.60 -0.06 0.00 -2.44 0.00 0.00 57.07 55.17 3g2j s TYR 726 Cb 0.00 -3.65 0.13 0.00 0.35 0.00 0.00 41.96 38.79 3g2j s TYR 726 CO 0.00 -0.87 0.35 1.21 -1.34 0.00 0.00 175.55 174.90 3g2j s ASN 727 N 1.96 5.49 0.42 4.32 2.47 -1.26 -4.96 114.94 123.39 3g2j s ASN 727 Ca 0.36 -2.24 0.09 0.00 0.42 0.00 0.00 52.86 51.48 3g2j s ASN 727 Cb -0.12 -1.92 0.91 0.00 -1.45 0.00 0.00 41.25 38.68 3g2j s ASN 727 CO 0.20 -0.55 2.05 0.00 -3.72 0.00 0.00 177.10 175.08 3g2j h ALA 728 N 7.91 1.72 -0.97 1.71 0.00 -1.87 -2.57 119.26 125.20 3g2j h ALA 728 Ca -0.11 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.86 3g2j h ALA 728 Cb 1.03 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 3g2j h ALA 728 CO 0.76 0.24 0.62 0.37 0.00 0.00 0.00 179.25 181.23 3g2j h GLN 729 N 0.42 0.93 -0.78 0.00 5.75 -1.91 -1.88 115.11 117.64 3g2j h GLN 729 Ca 0.11 -0.06 0.14 0.00 -0.15 0.00 0.00 58.65 58.70 3g2j h GLN 729 Cb 0.01 -0.21 -0.09 0.00 1.07 0.00 0.00 27.48 28.26 3g2j h GLN 729 CO -0.02 0.62 0.34 1.49 -2.65 0.00 0.00 178.83 178.61 3g2j h GLU 730 N 0.96 0.48 -0.16 1.69 4.81 -1.88 0.28 114.58 120.77 3g2j h GLU 730 Ca 0.47 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.51 3g2j h GLU 730 Cb 0.46 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3g2j h GLU 730 CO -0.23 0.32 -0.51 1.88 -0.73 0.00 0.00 179.01 179.74 3g2j h TYR 731 N 0.49 0.82 -0.58 0.92 -1.99 -1.50 -2.43 116.97 112.70 3g2j h TYR 731 Ca 0.43 -0.33 0.08 0.00 2.00 0.00 0.00 58.73 60.90 3g2j h TYR 731 Cb 0.63 -0.14 -0.06 0.00 2.00 0.00 0.00 36.73 39.16 3g2j h TYR 731 CO -0.14 1.12 0.23 -0.92 -0.00 0.00 0.00 178.16 178.45 3g2j h TYR 732 N 0.29 0.41 -0.20 4.88 5.03 -0.87 -0.43 116.97 126.08 3g2j h TYR 732 Ca -0.02 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.22 3g2j h TYR 732 Cb 1.14 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.31 3g2j h TYR 732 CO 0.10 0.13 -0.28 -0.44 -1.32 0.00 0.00 178.16 176.35 3g2j h ASP 733 N 0.43 0.38 -0.01 -2.11 3.32 -0.43 -3.31 116.42 114.69 3g2j h ASP 733 Ca 0.28 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3g2j h ASP 733 Cb 0.31 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3g2j h ASP 733 CO -0.27 0.66 -0.63 0.54 -1.72 0.00 0.00 179.24 177.82 3g2j n ARG 734 N -4.11 1.06 -3.97 3.56 1.74 -0.92 -4.79 116.66 109.23 3g2j n ARG 734 Ca -0.01 -0.56 -0.31 0.00 -0.77 0.00 0.00 57.85 56.21 3g2j n ARG 734 Cb 0.41 -1.41 -0.15 0.00 -1.02 0.00 0.00 32.46 30.29 3g2j n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3g2j s ILE 735 N -2.51 2.00 0.22 0.55 1.01 -0.21 -5.00 121.20 117.25 3g2j s ILE 735 Ca 0.13 -2.09 -0.08 0.00 0.00 0.00 0.00 60.65 58.61 3g2j s ILE 735 Cb 0.16 -2.45 0.17 0.00 0.01 0.00 0.00 42.46 40.35 3g2j s ILE 735 CO 0.63 -0.55 1.84 -0.65 0.00 0.00 0.00 174.94 176.21 3g2j h PRO 736 N 7.72 0.82 -0.85 2.79 0.11 -1.86 -0.57 132.00 140.15 3g2j h PRO 736 Ca -0.07 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 3g2j h PRO 736 Cb 1.02 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.91 3g2j h PRO 736 CO 0.50 0.54 0.43 0.93 -0.21 0.00 0.00 178.00 180.20 3g2j h GLU 737 N 0.84 1.21 -0.45 1.05 5.08 -1.95 -1.50 114.58 118.86 3g2j h GLU 737 Ca 0.32 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 3g2j h GLU 737 Cb 0.12 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3g2j h GLU 737 CO -0.15 0.91 -0.16 1.25 -1.00 0.00 0.00 179.01 179.86 3g2j h LEU 738 N 1.20 0.86 -0.26 1.33 5.85 -1.80 -2.93 115.31 119.55 3g2j h LEU 738 Ca 0.30 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3g2j h LEU 738 Cb 0.08 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3g2j h LEU 738 CO -0.04 1.01 0.17 -0.09 -0.34 0.00 0.00 178.44 179.15 3g2j h ARG 739 N 0.75 0.35 -0.34 1.25 2.43 -0.61 -2.38 114.38 115.82 3g2j h ARG 739 Ca 0.11 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3g2j h ARG 739 Cb 0.68 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 3g2j h ARG 739 CO 0.05 0.25 0.08 0.37 -1.51 0.00 0.00 179.97 179.21 3g2j h GLN 740 N 0.34 0.20 -0.52 0.20 4.15 -1.27 0.46 115.11 118.67 3g2j h GLN 740 Ca 0.09 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.57 3g2j h GLN 740 Cb -0.02 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.57 3g2j h GLN 740 CO -0.02 0.13 0.20 0.82 -1.93 0.00 0.00 178.83 178.03 3g2j h ILE 741 N 0.21 0.83 -0.62 2.39 2.04 -1.36 0.25 117.51 121.25 3g2j h ILE 741 Ca 0.16 -0.13 -0.09 0.00 1.00 0.00 0.00 64.86 65.80 3g2j h ILE 741 Cb 0.17 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3g2j h ILE 741 CO -0.20 0.07 0.04 0.40 0.00 0.00 0.00 178.15 178.46 3g2j h ILE 742 N 0.38 1.26 -0.48 -0.67 1.08 -0.90 0.02 117.51 118.20 3g2j h ILE 742 Ca 0.25 -1.11 -0.00 0.00 -0.39 0.00 0.00 64.86 63.61 3g2j h ILE 742 Cb 0.27 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 34.73 3g2j h ILE 742 CO -0.25 0.41 0.30 -0.33 -0.69 0.00 0.00 178.15 177.58 3g2j h GLU 743 N 0.99 0.65 -0.42 2.37 5.08 -0.34 -0.69 114.58 122.21 3g2j h GLU 743 Ca 0.18 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3g2j h GLU 743 Cb 0.51 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3g2j h GLU 743 CO 0.02 0.47 0.26 1.96 -1.00 0.00 0.00 179.01 180.72 3g2j h GLN 744 N 0.64 0.57 -0.00 2.33 4.20 -0.07 0.12 115.11 122.90 3g2j h GLN 744 Ca 0.17 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 3g2j h GLN 744 Cb -0.02 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 3g2j h GLN 744 CO -0.03 0.41 0.00 -0.07 -0.67 0.00 0.00 178.83 178.47 3g2j h LEU 745 N 0.56 0.00 -0.35 1.46 3.38 -0.85 -1.53 115.31 117.99 3g2j h LEU 745 Ca 0.15 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3g2j h LEU 745 Cb -0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3g2j h LEU 745 CO -0.03 0.03 0.10 0.28 0.09 0.00 0.00 178.44 178.91 3g2j h SER 746 N -0.03 0.51 0.87 -0.43 0.02 -0.94 -3.18 113.55 110.37 3g2j h SER 746 Ca 0.00 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3g2j h SER 746 Cb 0.03 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3g2j h SER 746 CO -0.00 0.59 0.00 -1.54 -1.14 0.00 0.00 176.83 174.74 3g2j n SER 747 N -4.64 0.63 0.00 3.07 3.41 0.42 -4.59 113.62 111.91 3g2j n SER 747 Ca -0.01 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 3g2j n SER 747 Cb 0.18 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 3g2j n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g2j n GLY 748 N 0.31 1.06 0.36 5.00 0.00 -1.10 -4.88 105.19 105.94 3g2j n GLY 748 Ca 0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 3g2j n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3g2j h PHE 749 N 0.00 1.16 -0.14 1.61 3.04 -1.53 -2.61 116.94 118.46 3g2j h PHE 749 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3g2j h PHE 749 Cb 0.07 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 38.20 3g2j h PHE 749 CO 0.00 0.66 0.00 1.19 -2.02 0.00 0.00 178.31 178.14 3g2j n PHE 750 N -4.49 0.16 -3.04 0.41 3.72 -1.26 -4.53 117.46 108.44 3g2j n PHE 750 Ca 0.13 -0.08 -0.16 0.00 -0.05 0.00 0.00 57.45 57.29 3g2j n PHE 750 Cb 0.10 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 3g2j n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3g2j n SER 751 N 1.13 -1.69 -0.35 4.37 3.41 -1.01 -4.76 113.62 114.72 3g2j n SER 751 Ca 0.16 -2.79 -0.03 0.00 -0.26 0.00 0.00 58.87 55.96 3g2j n SER 751 Cb 0.54 0.57 0.10 0.00 -0.26 0.00 0.00 64.21 65.17 3g2j n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3g2j h PRO 752 N 4.77 1.28 -0.07 4.33 0.11 -1.72 -2.76 132.00 137.93 3g2j h PRO 752 Ca 0.08 -0.13 -0.22 0.00 0.11 0.00 0.00 66.00 65.85 3g2j h PRO 752 Cb 0.98 -0.26 0.01 0.00 0.11 0.00 0.00 31.00 31.84 3g2j h PRO 752 CO 0.28 0.90 -0.84 0.87 -0.21 0.00 0.00 178.00 179.00 3g2j h LYS 753 N 1.29 0.57 -3.25 1.05 1.57 -1.96 -3.36 116.57 112.48 3g2j h LYS 753 Ca 0.33 -0.52 -0.65 0.00 -1.87 0.00 0.00 60.65 57.94 3g2j h LYS 753 Cb -0.03 0.12 -0.39 0.00 0.08 0.00 0.00 32.23 32.01 3g2j h LYS 753 CO -0.06 1.14 -0.44 -0.65 -0.57 0.00 0.00 179.45 178.87 3g2j s GLN 754 N -3.52 2.59 0.55 3.15 -0.21 -1.12 -4.98 119.66 116.12 3g2j s GLN 754 Ca -0.08 -3.12 0.22 0.00 0.02 0.00 0.00 55.36 52.41 3g2j s GLN 754 Cb 0.09 -3.57 1.48 0.00 1.00 0.00 0.00 33.01 32.01 3g2j s GLN 754 CO 0.88 -1.24 2.15 -1.35 -2.12 0.00 0.00 175.29 173.62 3g2j h PRO 755 N 5.92 0.00 -0.49 2.91 0.11 -1.65 -1.64 132.00 137.17 3g2j h PRO 755 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3g2j h PRO 755 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3g2j h PRO 755 CO 0.75 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 3g2j n ASP 756 N -4.24 4.20 -0.31 -2.05 3.85 -1.26 -3.14 116.55 113.59 3g2j n ASP 756 Ca -0.01 -2.50 0.13 0.00 -0.71 0.00 0.00 54.79 51.70 3g2j n ASP 756 Cb 0.18 -0.50 0.30 0.00 -1.35 0.00 0.00 41.12 39.75 3g2j n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3g2j h LEU 757 N 3.10 0.48 -3.58 -2.12 5.85 -1.62 -1.76 115.31 115.66 3g2j h LEU 757 Ca 0.00 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 3g2j h LEU 757 Cb 1.31 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.36 3g2j h LEU 757 CO 0.19 0.09 0.12 0.49 -0.34 0.00 0.00 178.44 178.99 3g2j n PHE 758 N -4.95 2.22 -0.12 1.25 3.01 -1.26 -4.50 117.46 113.11 3g2j n PHE 758 Ca 0.22 -0.92 0.02 0.00 1.01 0.00 0.00 57.45 57.78 3g2j n PHE 758 Cb 0.61 -0.59 0.32 0.00 -0.01 0.00 0.00 39.48 39.82 3g2j n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3g2j h LYS 759 N 3.34 0.78 -0.30 -1.08 2.10 -1.63 -2.03 116.57 117.75 3g2j h LYS 759 Ca 0.12 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 3g2j h LYS 759 Cb 2.12 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 33.26 3g2j h LYS 759 CO 0.60 0.53 0.19 -0.44 -2.00 0.00 0.00 179.45 178.32 3g2j h ASP 760 N 0.80 0.35 -0.22 7.07 3.32 -1.83 0.19 116.42 126.11 3g2j h ASP 760 Ca 0.22 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3g2j h ASP 760 Cb -0.07 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3g2j h ASP 760 CO -0.04 0.28 0.13 0.40 -1.72 0.00 0.00 179.24 178.29 3g2j h ILE 761 N 0.39 1.09 -0.10 0.35 2.04 -1.77 0.16 117.51 119.67 3g2j h ILE 761 Ca 0.11 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 3g2j h ILE 761 Cb -0.02 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3g2j h ILE 761 CO -0.02 0.09 0.06 0.58 0.00 0.00 0.00 178.15 178.86 3g2j h VAL 762 N 0.27 1.07 -0.43 1.67 2.07 -1.27 -0.34 116.25 119.29 3g2j h VAL 762 Ca 0.08 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.49 3g2j h VAL 762 Cb 0.03 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3g2j h VAL 762 CO -0.01 0.06 0.13 -1.13 0.02 0.00 0.00 177.57 176.63 3g2j h ASN 763 N 0.10 0.10 0.02 0.57 -1.24 -0.32 0.11 115.58 114.91 3g2j h ASN 763 Ca 0.04 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 3g2j h ASN 763 Cb 0.04 0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.15 3g2j h ASN 763 CO -0.01 0.09 -0.01 -0.03 -1.29 0.00 0.00 177.43 176.18 3g2j h MET 764 N 0.28 -0.02 -0.86 6.67 4.05 -0.44 0.14 114.93 124.75 3g2j h MET 764 Ca 0.21 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.70 3g2j h MET 764 Cb 0.23 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 30.96 3g2j h MET 764 CO -0.24 0.10 0.52 -0.07 0.23 0.00 0.00 176.91 177.46 3g2j h LEU 765 N -0.14 0.80 0.06 3.39 4.07 -0.75 0.23 115.31 122.96 3g2j h LEU 765 Ca -0.00 0.03 -0.28 0.00 0.08 0.00 0.00 57.88 57.70 3g2j h LEU 765 Cb 0.13 -0.14 0.02 0.00 1.08 0.00 0.00 40.66 41.76 3g2j h LEU 765 CO 0.00 0.49 -1.17 0.24 -1.08 0.00 0.00 178.44 176.93 3g2j h MET 766 N 0.93 0.61 0.00 1.13 2.86 -0.79 -3.41 114.93 116.25 3g2j h MET 766 Ca 0.39 -0.76 -0.02 0.00 -2.06 0.00 0.00 59.70 57.25 3g2j h MET 766 Cb 0.24 0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 3g2j h MET 766 CO -0.20 1.33 -1.07 0.72 1.06 0.00 0.00 176.91 178.75 3g2j n HIS 767 N -3.79 0.00 -2.58 -0.22 8.25 0.47 -4.33 115.22 113.02 3g2j n HIS 767 Ca -0.12 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.24 3g2j n HIS 767 Cb 0.95 -0.05 0.03 0.00 1.12 0.00 0.00 29.99 32.04 3g2j n HIS 767 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3g2j n HIS 768 N -2.11 1.80 -2.91 4.41 8.25 -0.07 -5.03 115.22 119.55 3g2j n HIS 768 Ca -0.02 -2.41 -0.43 0.00 -0.26 0.00 0.00 57.72 54.60 3g2j n HIS 768 Cb 0.53 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 31.33 3g2j n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3g2j s ASP 769 N -3.58 6.26 0.39 0.41 2.15 -0.39 -4.84 116.67 117.07 3g2j s ASP 769 Ca 0.35 -1.28 0.28 0.00 0.43 0.00 0.00 52.55 52.33 3g2j s ASP 769 Cb 0.38 -2.39 1.31 0.00 -0.30 0.00 0.00 42.92 41.92 3g2j s ASP 769 CO -0.02 -1.31 1.85 0.03 -0.17 0.00 0.00 175.17 175.55 3g2j h ARG 770 N 9.36 0.00 -0.11 4.34 3.08 -1.96 -3.20 114.38 125.89 3g2j h ARG 770 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3g2j h ARG 770 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3g2j h ARG 770 CO 1.15 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.24 3g2j n PHE 771 N -2.54 0.14 -3.62 3.04 3.72 -1.26 -5.02 117.46 111.92 3g2j n PHE 771 Ca 0.00 -0.40 -0.20 0.00 -0.05 0.00 0.00 57.45 56.79 3g2j n PHE 771 Cb 0.17 -0.03 0.05 0.00 -0.94 0.00 0.00 39.48 38.73 3g2j n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3g2j n LYS 772 N -0.04 -5.59 -0.05 -1.08 5.02 -1.21 -4.68 118.16 110.52 3g2j n LYS 772 Ca 0.04 0.70 -0.08 0.00 -2.02 0.00 0.00 58.31 56.95 3g2j n LYS 772 Cb 0.28 -5.44 -0.02 0.00 -0.02 0.00 0.00 35.03 29.83 3g2j n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3g2j h VAL 773 N -1.92 0.78 -0.53 -0.18 2.07 -1.93 -2.54 116.25 112.00 3g2j h VAL 773 Ca -0.60 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 3g2j h VAL 773 Cb 1.35 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3g2j h VAL 773 CO 0.55 0.00 0.31 -0.26 0.02 0.00 0.00 177.57 178.19 3g2j h PHE 774 N 0.02 0.69 0.00 1.57 0.05 -1.90 -2.75 116.94 114.62 3g2j h PHE 774 Ca 0.11 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.89 3g2j h PHE 774 Cb 0.17 -0.23 -0.00 0.00 2.00 0.00 0.00 35.95 37.88 3g2j h PHE 774 CO -0.23 0.47 -0.08 0.00 -0.18 0.00 0.00 178.31 178.29 3g2j h ALA 775 N 1.62 1.70 -0.01 2.45 0.00 -1.83 -2.55 119.26 120.63 3g2j h ALA 775 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3g2j h ALA 775 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3g2j h ALA 775 CO -0.04 0.10 -0.57 -0.25 0.00 0.00 0.00 179.25 178.49 3g2j n ASP 776 N -4.19 1.70 0.12 0.00 8.00 -1.05 -4.68 116.55 116.44 3g2j n ASP 776 Ca -0.03 -1.35 -0.13 0.00 0.71 0.00 0.00 54.79 53.99 3g2j n ASP 776 Cb 0.16 0.61 -0.06 0.00 -0.02 0.00 0.00 41.12 41.81 3g2j n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3g2j h TYR 777 N 1.74 -0.59 0.28 1.24 5.03 -1.28 -0.85 116.97 122.54 3g2j h TYR 777 Ca 0.00 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 3g2j h TYR 777 Cb 0.66 0.24 -0.00 0.00 1.55 0.00 0.00 36.73 39.18 3g2j h TYR 777 CO 0.00 -0.32 -0.17 0.93 -1.32 0.00 0.00 178.16 177.28 3g2j h GLU 778 N -0.43 -0.42 -0.20 1.82 5.08 -1.84 -0.46 114.58 118.14 3g2j h GLU 778 Ca 0.02 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3g2j h GLU 778 Cb 0.44 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3g2j h GLU 778 CO -0.11 -0.28 -0.04 1.49 -1.00 0.00 0.00 179.01 179.07 3g2j h GLU 779 N -0.43 0.30 0.26 2.33 4.81 -1.86 -1.22 114.58 118.77 3g2j h GLU 779 Ca -0.03 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3g2j h GLU 779 Cb 0.36 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3g2j h GLU 779 CO 0.03 0.37 -0.12 -0.92 -0.73 0.00 0.00 179.01 177.63 3g2j h TYR 780 N 0.29 -0.32 -0.56 0.92 3.20 -0.79 -0.73 116.97 118.98 3g2j h TYR 780 Ca 0.07 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.98 3g2j h TYR 780 Cb 0.27 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 3g2j h TYR 780 CO 0.01 -0.04 0.29 0.28 -1.64 0.00 0.00 178.16 177.06 3g2j h VAL 781 N -0.59 0.94 -0.45 1.81 2.07 -0.93 0.86 116.25 119.95 3g2j h VAL 781 Ca -0.04 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.33 3g2j h VAL 781 Cb 0.43 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3g2j h VAL 781 CO 0.06 0.10 0.24 0.50 0.02 0.00 0.00 177.57 178.49 3g2j h LYS 782 N 0.54 0.47 -0.27 1.57 1.63 -1.20 -1.66 116.57 117.64 3g2j h LYS 782 Ca 0.25 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.93 3g2j h LYS 782 Cb 0.17 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 3g2j h LYS 782 CO -0.18 0.31 -0.22 0.00 -3.45 0.00 0.00 179.45 175.91 3g2j h GLN 784 N 0.45 0.39 -0.60 0.00 1.08 -0.27 -1.94 115.11 114.23 3g2j h GLN 784 Ca 0.07 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 3g2j h GLN 784 Cb 0.64 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.98 3g2j h GLN 784 CO 0.05 0.42 0.10 0.93 -0.95 0.00 0.00 178.83 179.38 3g2j h GLU 785 N 0.38 0.98 -0.03 1.46 5.08 -0.84 -2.28 114.58 119.33 3g2j h GLU 785 Ca 0.09 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 3g2j h GLU 785 Cb 0.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3g2j h GLU 785 CO 0.01 0.90 -0.40 0.00 -1.00 0.00 0.00 179.01 178.52 3g2j h ARG 786 N 0.92 0.07 0.10 2.33 3.08 -1.17 -0.85 114.38 118.86 3g2j h ARG 786 Ca 0.19 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3g2j h ARG 786 Cb 0.40 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3g2j h ARG 786 CO 0.01 0.47 -0.05 0.28 -1.07 0.00 0.00 179.97 179.61 3g2j h VAL 787 N 0.06 1.00 -0.92 2.04 2.07 -1.13 -2.17 116.25 117.21 3g2j h VAL 787 Ca 0.00 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3g2j h VAL 787 Cb 0.74 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3g2j h VAL 787 CO 0.06 0.09 0.52 0.28 0.02 0.00 0.00 177.57 178.53 3g2j h SER 788 N -0.29 1.13 -0.14 0.57 0.02 -1.24 -0.30 113.55 113.29 3g2j h SER 788 Ca -0.01 -0.09 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3g2j h SER 788 Cb 0.24 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 3g2j h SER 788 CO 0.02 0.89 -0.03 0.00 -1.14 0.00 0.00 176.83 176.57 3g2j h ALA 789 N 1.29 0.10 -0.55 3.77 0.00 -1.13 -2.33 119.26 120.41 3g2j h ALA 789 Ca 0.32 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 3g2j h ALA 789 Cb -0.00 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3g2j h ALA 789 CO -0.06 -0.48 -0.03 1.25 0.00 0.00 0.00 179.25 179.94 3g2j h LEU 790 N 0.00 0.94 -1.72 0.00 6.46 -0.91 -2.76 115.31 117.33 3g2j h LEU 790 Ca 0.07 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.54 3g2j h LEU 790 Cb 0.10 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 3g2j h LEU 790 CO -0.14 1.02 -0.03 0.22 -0.62 0.00 0.00 178.44 178.88 3g2j h TYR 791 N 0.88 0.13 0.00 1.25 3.20 -0.84 -0.74 116.97 120.84 3g2j h TYR 791 Ca 0.16 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3g2j h TYR 791 Cb 0.56 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3g2j h TYR 791 CO 0.04 0.17 0.03 0.87 -1.64 0.00 0.00 178.16 177.63 3g2j h LYS 792 N 0.13 0.00 -3.28 1.82 1.57 -1.11 -3.31 116.57 112.39 3g2j h LYS 792 Ca 0.03 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.15 3g2j h LYS 792 Cb 0.15 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.07 3g2j h LYS 792 CO 0.01 0.00 -0.43 1.21 -0.57 0.00 0.00 179.45 179.67 3g2j s ASN 793 N -4.92 5.08 0.33 0.86 3.84 -0.29 -4.99 114.94 114.86 3g2j s ASN 793 Ca -0.04 -3.50 0.10 0.00 0.21 0.00 0.00 52.86 49.63 3g2j s ASN 793 Cb 0.12 -1.74 0.88 0.00 -0.55 0.00 0.00 41.25 39.95 3g2j s ASN 793 CO 0.37 -0.18 1.75 -0.65 -2.79 0.00 0.00 177.10 175.60 3g2j h PRO 794 N 6.03 0.59 -0.27 0.43 0.11 -1.76 -0.99 132.00 136.14 3g2j h PRO 794 Ca 0.08 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 3g2j h PRO 794 Cb 0.83 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 3g2j h PRO 794 CO 0.75 0.39 -0.15 -0.09 -0.21 0.00 0.00 178.00 178.69 3g2j h ARG 795 N 0.61 0.58 -0.03 1.05 2.43 -1.93 -1.75 114.38 115.33 3g2j h ARG 795 Ca 0.61 -0.26 -0.17 0.00 -0.81 0.00 0.00 59.98 59.35 3g2j h ARG 795 Cb 1.17 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 3g2j h ARG 795 CO -0.41 0.83 -0.72 0.93 -1.51 0.00 0.00 179.97 179.10 3g2j h GLU 796 N 0.32 0.19 0.11 0.20 4.39 -1.69 -0.88 114.58 117.21 3g2j h GLU 796 Ca 0.06 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.61 3g2j h GLU 796 Cb 0.67 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 3g2j h GLU 796 CO 0.04 0.83 -0.17 2.35 -1.16 0.00 0.00 179.01 180.90 3g2j h TRP 797 N 0.13 -0.44 -0.54 4.33 2.91 -1.17 -2.19 115.95 118.97 3g2j h TRP 797 Ca -0.02 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.94 3g2j h TRP 797 Cb 1.27 0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 30.08 3g2j h TRP 797 CO 0.02 -0.25 0.08 1.15 -1.03 0.00 0.00 178.44 178.42 3g2j h THR 798 N -0.33 1.24 -0.28 2.65 2.02 -1.18 -0.73 112.91 116.31 3g2j h THR 798 Ca 0.02 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.23 3g2j h THR 798 Cb 0.35 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3g2j h THR 798 CO -0.09 0.34 -0.06 0.03 0.37 0.00 0.00 175.52 176.11 3g2j h ARG 799 N 0.82 0.43 -0.26 6.66 3.08 -1.11 0.73 114.38 124.73 3g2j h ARG 799 Ca 0.17 -0.10 -0.18 0.00 0.07 0.00 0.00 59.98 59.94 3g2j h ARG 799 Cb 0.37 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3g2j h ARG 799 CO 0.01 0.51 -0.55 1.98 -1.07 0.00 0.00 179.97 180.84 3g2j h MET 800 N 0.41 0.84 -0.33 0.04 4.05 -0.72 -2.53 114.93 116.69 3g2j h MET 800 Ca 0.09 -0.55 0.06 0.00 -0.28 0.00 0.00 59.70 59.01 3g2j h MET 800 Cb 0.36 0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.18 3g2j h MET 800 CO 0.02 1.18 0.01 0.28 0.23 0.00 0.00 176.91 178.63 3g2j h VAL 801 N 0.61 0.77 -0.85 -5.77 2.07 -0.69 -1.36 116.25 111.02 3g2j h VAL 801 Ca 0.01 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.53 3g2j h VAL 801 Cb 1.16 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 3g2j h VAL 801 CO 0.12 0.02 0.54 0.40 0.02 0.00 0.00 177.57 178.67 3g2j h ILE 802 N 0.11 1.10 -0.35 4.57 2.04 -0.81 -0.17 117.51 124.00 3g2j h ILE 802 Ca 0.16 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3g2j h ILE 802 Cb 0.21 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 3g2j h ILE 802 CO -0.26 0.19 0.13 0.03 0.00 0.00 0.00 178.15 178.24 3g2j h ARG 803 N 1.03 0.49 0.34 2.37 3.08 -1.00 0.03 114.38 120.73 3g2j h ARG 803 Ca 0.35 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 3g2j h ARG 803 Cb 0.07 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3g2j h ARG 803 CO -0.14 0.42 -0.17 -0.91 -1.07 0.00 0.00 179.97 178.11 3g2j h ASN 804 N 0.49 -0.39 -0.86 7.04 2.35 -0.04 -3.07 115.58 121.10 3g2j h ASN 804 Ca 0.12 -0.15 0.14 0.00 -0.55 0.00 0.00 56.30 55.86 3g2j h ASN 804 Cb 0.12 0.10 -0.09 0.00 0.05 0.00 0.00 38.32 38.50 3g2j h ASN 804 CO -0.01 0.04 0.46 0.40 -1.65 0.00 0.00 177.43 176.67 3g2j h ILE 805 N -0.95 0.76 0.00 2.81 2.04 -1.03 -1.37 117.51 119.78 3g2j h ILE 805 Ca -0.05 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 3g2j h ILE 805 Cb 0.52 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3g2j h ILE 805 CO 0.08 0.12 -0.12 0.00 0.00 0.00 0.00 178.15 178.23 3g2j h ALA 806 N 1.54 1.26 -0.32 1.87 0.00 -1.05 -2.62 119.26 119.94 3g2j h ALA 806 Ca 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3g2j h ALA 806 Cb 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3g2j h ALA 806 CO -0.34 0.14 0.00 0.25 0.00 0.00 0.00 179.25 179.30 3g2j n THR 807 N -3.60 1.36 1.74 0.00 -2.24 -0.57 -1.95 114.28 109.02 3g2j n THR 807 Ca -0.02 -1.24 0.14 0.00 -2.27 0.00 0.00 64.05 60.65 3g2j n THR 807 Cb 0.24 0.29 0.67 0.00 -2.10 0.00 0.00 70.33 69.43 3g2j n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3g2j n SER 808 N 0.22 0.71 -0.22 3.42 3.41 -0.87 -4.30 113.62 115.98 3g2j n SER 808 Ca 0.14 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 3g2j n SER 808 Cb 0.56 -0.01 0.11 0.00 -0.26 0.00 0.00 64.21 64.61 3g2j n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3g2j h GLY 809 N 5.02 0.94 0.74 5.00 0.00 -1.79 -2.20 103.07 110.79 3g2j h GLY 809 Ca 0.00 -0.18 0.14 0.00 0.00 0.00 0.00 47.33 47.29 3g2j h GLY 809 CO 0.00 0.04 0.49 1.70 0.00 0.00 0.00 176.54 178.77 3g2j h LYS 810 N 0.53 0.00 -0.63 4.80 3.64 -1.88 -2.48 116.57 120.55 3g2j h LYS 810 Ca 0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3g2j h LYS 810 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3g2j h LYS 810 CO -0.26 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.11 3g2j n PHE 811 N -3.81 1.21 -2.47 1.91 3.01 -0.83 -4.69 117.46 111.80 3g2j n PHE 811 Ca 0.09 -0.47 -0.41 0.00 1.01 0.00 0.00 57.45 57.68 3g2j n PHE 811 Cb 0.69 -0.24 -0.04 0.00 -0.01 0.00 0.00 39.48 39.88 3g2j n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3g2j s SER 812 N -0.74 7.20 0.22 4.37 0.15 -0.93 -0.42 113.70 123.54 3g2j s SER 812 Ca 0.39 2.11 0.20 0.00 0.70 0.00 0.00 55.95 59.34 3g2j s SER 812 Cb 0.26 -2.60 0.89 0.00 -1.71 0.00 0.00 66.02 62.86 3g2j s SER 812 CO 0.17 -0.29 1.60 -1.54 1.20 0.00 0.00 173.24 174.38 3g2j n SER 813 N 2.62 0.48 -0.18 5.45 3.41 -0.49 -1.72 113.62 123.19 3g2j n SER 813 Ca 0.04 0.65 -0.08 0.00 -0.26 0.00 0.00 58.87 59.22 3g2j n SER 813 Cb 0.46 -0.74 0.01 0.00 -0.26 0.00 0.00 64.21 63.68 3g2j n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3g2j h ASP 814 N 0.00 0.75 -0.04 4.04 3.32 -1.91 0.11 116.42 122.69 3g2j h ASP 814 Ca 0.00 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3g2j h ASP 814 Cb 0.21 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3g2j h ASP 814 CO 0.00 0.75 0.02 -0.09 -1.72 0.00 0.00 179.24 178.20 3g2j h ARG 815 N 0.71 0.07 -0.27 3.56 1.12 -1.64 -0.71 114.38 117.21 3g2j h ARG 815 Ca 0.17 -0.01 0.06 0.00 -1.11 0.00 0.00 59.98 59.08 3g2j h ARG 815 Cb 0.27 -0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 30.16 3g2j h ARG 815 CO -0.01 0.22 -0.10 1.15 -3.11 0.00 0.00 179.97 178.12 3g2j h THR 816 N -0.10 0.66 -0.37 0.20 2.02 -1.36 -1.76 112.91 112.21 3g2j h THR 816 Ca 0.01 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.07 3g2j h THR 816 Cb 0.17 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3g2j h THR 816 CO -0.00 0.00 -0.26 0.40 0.37 0.00 0.00 175.52 176.03 3g2j h ILE 817 N -0.05 1.27 -0.65 3.11 1.08 -0.71 -1.31 117.51 120.25 3g2j h ILE 817 Ca 0.14 -1.38 0.03 0.00 -0.39 0.00 0.00 64.86 63.25 3g2j h ILE 817 Cb 0.26 1.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.24 3g2j h ILE 817 CO -0.30 0.46 0.43 0.00 -0.69 0.00 0.00 178.15 178.05 3g2j h ALA 818 N 1.05 1.63 -0.16 1.87 0.00 -0.85 0.19 119.26 122.98 3g2j h ALA 818 Ca 0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3g2j h ALA 818 Cb 0.77 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3g2j h ALA 818 CO 0.06 0.31 -0.29 1.96 0.00 0.00 0.00 179.25 181.29 3g2j h GLN 819 N 0.79 0.49 -0.26 0.00 4.20 -0.57 -1.63 115.11 118.14 3g2j h GLN 819 Ca 0.26 -0.31 0.05 0.00 0.06 0.00 0.00 58.65 58.71 3g2j h GLN 819 Cb 0.05 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 3g2j h GLN 819 CO -0.07 0.91 -0.06 1.88 -0.67 0.00 0.00 178.83 180.82 3g2j h TYR 820 N 0.12 -0.13 -0.11 2.96 0.05 -1.01 0.50 116.97 119.35 3g2j h TYR 820 Ca 0.01 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.85 3g2j h TYR 820 Cb 0.88 0.10 -0.04 0.00 1.01 0.00 0.00 36.73 38.68 3g2j h TYR 820 CO 0.10 -0.11 -0.15 0.00 -1.05 0.00 0.00 178.16 176.95 3g2j h ALA 821 N 1.26 -0.08 0.08 3.88 0.00 -0.54 0.57 119.26 124.43 3g2j h ALA 821 Ca 0.12 0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 3g2j h ALA 821 Cb 0.19 0.30 0.03 0.00 0.00 0.00 0.00 17.79 18.30 3g2j h ALA 821 CO -0.26 -0.61 -1.09 0.00 0.00 0.00 0.00 179.25 177.29 3g2j h ARG 822 N -0.19 0.59 0.00 0.00 3.08 -1.23 0.26 114.38 116.89 3g2j h ARG 822 Ca 0.09 -0.75 0.00 0.00 0.07 0.00 0.00 59.98 59.39 3g2j h ARG 822 Cb 0.32 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3g2j h ARG 822 CO -0.23 1.33 -1.30 0.39 -1.07 0.00 0.00 179.97 179.09 3g2j n GLU 823 N -3.89 0.43 0.00 0.04 1.02 0.16 -4.22 120.64 114.18 3g2j n GLU 823 Ca -0.13 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 3g2j n GLU 823 Cb 0.91 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 3g2j n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3g2j n ILE 824 N -2.15 0.02 0.12 -3.67 5.41 0.05 -4.86 119.36 114.27 3g2j n ILE 824 Ca -0.00 0.01 0.10 0.00 1.00 0.00 0.00 62.75 63.85 3g2j n ILE 824 Cb 0.49 -1.48 0.02 0.00 -0.71 0.00 0.00 39.64 37.96 3g2j n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 3g2j h TRP 825 N 0.00 0.00 -3.43 1.39 6.55 -1.08 -3.49 115.95 115.89 3g2j h TRP 825 Ca 0.00 0.00 -0.16 0.00 0.95 0.00 0.00 58.89 59.68 3g2j h TRP 825 Cb 0.96 0.00 0.07 0.00 -0.86 0.00 0.00 29.16 29.33 3g2j h TRP 825 CO 0.00 0.09 -0.33 0.41 -1.05 0.00 0.00 178.44 177.56 3g2j n GLY 826 N 1.19 0.17 3.07 1.49 0.00 0.72 -4.92 105.19 106.92 3g2j n GLY 826 Ca -0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 3g2j n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g2j s VAL 827 N -3.15 0.59 -0.27 1.61 -7.23 -0.10 -5.01 120.40 106.85 3g2j s VAL 827 Ca 0.11 -1.13 -0.13 0.00 -1.81 0.00 0.00 61.98 59.02 3g2j s VAL 827 Cb -0.05 -0.69 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 3g2j s VAL 827 CO 0.33 -0.39 0.27 -1.61 -0.31 0.00 0.00 175.10 173.39 3g2j s GLU 828 N -1.68 4.00 0.90 4.82 0.41 -1.26 -3.43 118.70 122.46 3g2j s GLU 828 Ca -0.09 -0.14 -0.10 0.00 -0.41 0.00 0.00 54.97 54.24 3g2j s GLU 828 Cb -0.09 -3.64 0.14 0.00 -1.78 0.00 0.00 34.13 28.75 3g2j s GLU 828 CO 0.00 -0.18 1.13 -1.25 -0.49 0.00 0.00 175.26 174.47 3g2j s PRO 829 N 1.78 1.16 -0.14 0.39 0.04 -1.26 -4.92 135.00 132.04 3g2j s PRO 829 Ca 0.11 1.42 -0.07 0.00 0.04 0.00 0.00 61.00 62.49 3g2j s PRO 829 Cb -0.16 -1.75 0.05 0.00 0.04 0.00 0.00 34.50 32.68 3g2j s PRO 829 CO 0.10 -2.49 0.34 0.45 0.04 0.00 0.00 177.00 175.43 3g2j s SER 830 N -2.83 -0.40 0.00 6.66 0.15 0.11 -5.02 113.70 112.37 3g2j s SER 830 Ca 0.66 0.73 0.23 0.00 0.70 0.00 0.00 55.95 58.26 3g2j s SER 830 Cb -0.22 0.61 0.67 0.00 -1.71 0.00 0.00 66.02 65.38 3g2j s SER 830 CO 0.58 -0.18 1.52 0.54 1.20 0.00 0.00 173.24 176.90 3g2j n ARG 831 N 4.23 1.95 -2.37 5.44 5.12 -1.26 -3.07 116.66 126.69 3g2j n ARG 831 Ca -0.24 -1.41 -0.41 0.00 -1.93 0.00 0.00 57.85 53.86 3g2j n ARG 831 Cb 0.54 -1.44 -0.03 0.00 -1.16 0.00 0.00 32.46 30.37 3g2j n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3g2j s GLN 832 N -1.78 4.49 0.46 5.56 -0.21 -1.26 -4.97 119.66 121.94 3g2j s GLN 832 Ca 0.34 1.88 -0.22 0.00 0.02 0.00 0.00 55.36 57.38 3g2j s GLN 832 Cb 0.19 -3.24 -0.08 0.00 1.00 0.00 0.00 33.01 30.89 3g2j s GLN 832 CO 0.29 -0.09 1.11 1.03 -2.12 0.00 0.00 175.29 175.51 3g2j s ARG 833 N -0.24 3.82 0.35 2.91 1.81 -1.26 -4.95 118.95 121.39 3g2j s ARG 833 Ca 0.53 1.61 -0.09 0.00 -1.72 0.00 0.00 55.73 56.06 3g2j s ARG 833 Cb -0.33 -2.34 -0.06 0.00 -0.45 0.00 0.00 34.95 31.77 3g2j s ARG 833 CO 0.37 -0.46 0.69 -0.51 -0.68 0.00 0.00 175.30 174.70 3g2j s LEU 834 N -3.10 3.94 0.28 2.53 1.43 -0.40 -5.03 118.68 118.33 3g2j s LEU 834 Ca 0.64 1.00 -0.30 0.00 -1.03 0.00 0.00 54.13 54.44 3g2j s LEU 834 Cb -0.24 -3.85 -0.12 0.00 0.03 0.00 0.00 46.19 42.01 3g2j s LEU 834 CO 0.29 -0.30 1.61 -2.65 0.23 0.00 0.00 176.35 175.54 3g2j n PRO 835 N -1.03 2.70 0.00 1.29 -0.02 -1.26 -4.63 135.00 132.06 3g2j n PRO 835 Ca 0.01 0.96 0.10 0.00 -2.02 0.00 0.00 63.50 62.56 3g2j n PRO 835 Cb 0.54 -2.75 0.61 0.00 -0.02 0.00 0.00 33.50 31.88 3g2j n PRO 835 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48