#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8j s ASP 10 N 0.00 6.43 0.13 -1.84 -0.00 -1.26 -5.02 116.67 115.12 3h8j s ASP 10 Ca 0.00 0.69 -0.18 0.00 -0.00 0.00 0.00 52.55 53.06 3h8j s ASP 10 Cb 0.00 -2.13 -0.03 0.00 -0.00 0.00 0.00 42.92 40.76 3h8j s ASP 10 CO 0.00 -0.21 1.78 0.22 -0.00 0.00 0.00 175.17 176.96 3h8j h TYR 11 N 1.58 0.31 -2.65 4.23 3.20 -2.05 -3.09 116.97 118.50 3h8j h TYR 11 Ca -0.48 0.01 -0.65 0.00 3.14 0.00 0.00 58.73 60.75 3h8j h TYR 11 Cb 1.19 -0.10 -0.16 0.00 1.54 0.00 0.00 36.73 39.20 3h8j h TYR 11 CO 0.57 0.19 0.52 0.15 -1.64 0.00 0.00 178.16 177.95 3h8j s LYS 12 N -6.17 3.17 0.77 1.82 -0.14 -1.26 -5.03 119.74 112.90 3h8j s LYS 12 Ca -0.13 -1.04 -0.14 0.00 -1.36 0.00 0.00 55.97 53.30 3h8j s LYS 12 Cb 0.10 -4.34 0.06 0.00 -1.68 0.00 0.00 37.83 31.97 3h8j s LYS 12 CO 0.70 -1.77 1.19 -1.83 -0.76 0.00 0.00 175.35 172.88 3h8j s GLU 13 N 3.66 1.92 0.26 1.68 -1.05 -1.17 -4.54 118.70 119.45 3h8j s GLU 13 Ca 0.22 1.71 -0.30 0.00 -0.15 0.00 0.00 54.97 56.45 3h8j s GLU 13 Cb -0.16 -1.81 -0.09 0.00 -0.44 0.00 0.00 34.13 31.62 3h8j s GLU 13 CO 0.07 -1.99 1.22 0.20 0.95 0.00 0.00 175.26 175.70 3h8j s GLY 14 N -2.19 2.84 -0.08 -3.83 0.00 -1.26 -4.30 107.32 98.50 3h8j s GLY 14 Ca 0.73 1.04 0.04 0.00 0.00 0.00 0.00 44.72 46.53 3h8j s GLY 14 CO 0.48 1.80 -0.22 -0.42 0.00 0.00 0.00 173.10 174.74 3h8j s ILE 15 N -0.66 2.31 -0.24 0.90 1.01 -0.41 -2.95 121.20 121.16 3h8j s ILE 15 Ca 0.50 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 3h8j s ILE 15 Cb -0.35 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 3h8j s ILE 15 CO 0.43 0.56 0.04 0.00 0.00 0.00 0.00 174.94 175.97 3h8j s LEU 17 N 1.55 3.95 -0.22 0.00 1.43 0.31 -0.43 118.68 125.27 3h8j s LEU 17 Ca 0.06 -0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 52.93 3h8j s LEU 17 Cb -0.15 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 3h8j s LEU 17 CO 0.02 -0.08 0.11 -0.63 0.23 0.00 0.00 176.35 176.00 3h8j s ILE 18 N 1.71 4.93 -1.33 -0.59 1.01 -0.21 -0.98 121.20 125.74 3h8j s ILE 18 Ca 0.07 0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.58 3h8j s ILE 18 Cb -0.16 -3.27 0.02 0.00 0.01 0.00 0.00 42.46 39.06 3h8j s ILE 18 CO 0.09 0.39 2.06 -0.67 0.00 0.00 0.00 174.94 176.80 3h8j n ASP 19 N 4.15 3.96 0.13 3.58 2.03 0.25 -0.73 116.55 129.92 3h8j n ASP 19 Ca -0.16 -2.84 -0.22 0.00 0.52 0.00 0.00 54.79 52.09 3h8j n ASP 19 Cb 0.52 -1.63 -0.15 0.00 -0.72 0.00 0.00 41.12 39.14 3h8j n ASP 19 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3h8j h PHE 20 N 6.77 0.84 -0.93 -0.67 3.57 -1.67 -3.23 116.94 121.62 3h8j h PHE 20 Ca 0.51 -0.61 0.04 0.00 3.53 0.00 0.00 57.97 61.44 3h8j h PHE 20 Cb 0.72 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.36 3h8j h PHE 20 CO 1.42 1.49 0.60 0.77 -2.23 0.00 0.00 178.31 180.36 3h8j h SER 21 N 0.13 0.99 -0.29 0.41 0.02 -1.87 -1.17 113.55 111.77 3h8j h SER 21 Ca -0.23 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.61 3h8j h SER 21 Cb 2.12 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 64.43 3h8j h SER 21 CO 0.25 0.66 -0.19 -0.61 -1.14 0.00 0.00 176.83 175.81 3h8j h GLN 22 N 1.14 0.75 -0.13 3.45 5.75 -1.90 -1.02 115.11 123.15 3h8j h GLN 22 Ca 0.38 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 3h8j h GLN 22 Cb 0.05 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 3h8j h GLN 22 CO -0.14 0.88 0.04 0.82 -2.65 0.00 0.00 178.83 177.79 3h8j h ILE 23 N 0.66 1.17 -0.40 2.39 2.04 -1.39 -1.28 117.51 120.70 3h8j h ILE 23 Ca 0.10 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3h8j h ILE 23 Cb 0.68 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3h8j h ILE 23 CO 0.05 0.16 0.21 0.00 0.00 0.00 0.00 178.15 178.57 3h8j h ALA 24 N 0.86 0.52 -0.53 1.87 0.00 -1.13 -2.19 119.26 118.66 3h8j h ALA 24 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3h8j h ALA 24 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3h8j h ALA 24 CO -0.00 0.06 0.10 1.25 0.00 0.00 0.00 179.25 180.66 3h8j h LEU 25 N 0.51 0.83 -0.79 0.00 5.85 -1.15 0.70 115.31 121.26 3h8j h LEU 25 Ca 0.14 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 3h8j h LEU 25 Cb 0.08 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3h8j h LEU 25 CO -0.02 0.86 0.48 0.28 -0.34 0.00 0.00 178.44 179.70 3h8j h SER 26 N 0.75 0.94 -0.59 1.25 0.02 -1.14 0.16 113.55 114.94 3h8j h SER 26 Ca 0.16 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 3h8j h SER 26 Cb 0.38 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3h8j h SER 26 CO 0.01 0.72 -0.00 0.74 -1.14 0.00 0.00 176.83 177.16 3h8j h THR 27 N 1.08 1.27 -0.62 -2.27 2.02 -1.08 -3.03 112.91 110.27 3h8j h THR 27 Ca 0.28 -1.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.26 3h8j h THR 27 Cb -0.05 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3h8j h THR 27 CO -0.05 0.42 0.16 0.00 0.37 0.00 0.00 175.52 176.41 3h8j h ALA 28 N 0.98 1.11 0.00 6.16 0.00 -0.29 0.42 119.26 127.65 3h8j h ALA 28 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3h8j h ALA 28 Cb 0.56 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3h8j h ALA 28 CO 0.03 0.60 0.00 -0.07 0.00 0.00 0.00 179.25 179.81 3h8j h LEU 29 N 0.93 0.00 0.07 0.00 3.38 -0.87 -0.07 115.31 118.75 3h8j h LEU 29 Ca 0.20 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.85 3h8j h LEU 29 Cb 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3h8j h LEU 29 CO -0.00 0.00 -1.77 0.52 0.09 0.00 0.00 178.44 177.27 3h8j n VAL 30 N -2.96 1.67 0.10 1.22 0.31 -0.84 -4.63 118.33 113.20 3h8j n VAL 30 Ca -0.00 -0.41 -0.15 0.00 -0.01 0.00 0.00 64.34 63.77 3h8j n VAL 30 Cb 0.24 -1.84 -0.12 0.00 -0.91 0.00 0.00 33.84 31.20 3h8j n VAL 30 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3h8j h ASN 31 N -0.37 0.40 -3.60 4.52 4.21 -0.70 -3.44 115.58 116.59 3h8j h ASN 31 Ca -0.42 -0.41 -0.62 0.00 1.21 0.00 0.00 56.30 56.07 3h8j h ASN 31 Cb 1.74 -0.13 -0.13 0.00 -1.12 0.00 0.00 38.32 38.68 3h8j h ASN 31 CO -0.05 1.30 -0.29 -0.36 -1.29 0.00 0.00 177.43 176.74 3h8j s PHE 32 N -2.74 3.31 0.54 1.19 0.08 -0.06 -5.07 117.98 115.23 3h8j s PHE 32 Ca -0.04 0.44 -0.20 0.00 0.12 0.00 0.00 56.93 57.26 3h8j s PHE 32 Cb 0.08 -2.48 -0.05 0.00 -0.57 0.00 0.00 43.02 39.99 3h8j s PHE 32 CO 0.88 -0.08 1.17 -1.25 -0.10 0.00 0.00 175.22 175.84 3h8j s PRO 33 N 1.55 3.32 0.89 0.24 0.04 -1.26 -4.79 135.00 135.00 3h8j s PRO 33 Ca 0.15 1.75 -0.13 0.00 0.04 0.00 0.00 61.00 62.80 3h8j s PRO 33 Cb -0.15 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.35 3h8j s PRO 33 CO 0.08 -0.91 0.61 -0.25 0.04 0.00 0.00 177.00 176.57 3h8j n ASP 34 N -1.19 -1.30 -3.89 6.66 10.43 -1.26 -3.87 116.55 122.13 3h8j n ASP 34 Ca 0.11 0.41 -0.28 0.00 2.57 0.00 0.00 54.79 57.60 3h8j n ASP 34 Cb 0.50 -1.28 0.02 0.00 1.84 0.00 0.00 41.12 42.20 3h8j n ASP 34 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3h8j n LYS 35 N -2.04 -4.94 -3.76 -1.24 5.02 -0.89 -4.98 118.16 105.33 3h8j n LYS 35 Ca 0.09 0.56 -0.13 0.00 -2.02 0.00 0.00 58.31 56.81 3h8j n LYS 35 Cb 0.52 -5.28 -0.12 0.00 -0.02 0.00 0.00 35.03 30.13 3h8j n LYS 35 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3h8j s GLU 36 N -6.48 0.24 0.20 1.97 2.12 -1.25 -5.11 118.70 110.39 3h8j s GLU 36 Ca 0.43 0.42 -0.32 0.00 0.36 0.00 0.00 54.97 55.86 3h8j s GLU 36 Cb -0.22 0.01 -0.12 0.00 0.26 0.00 0.00 34.13 34.07 3h8j s GLU 36 CO 0.84 -0.09 1.70 0.21 -0.54 0.00 0.00 175.26 177.38 3h8j s LYS 37 N 0.65 4.14 -0.37 4.30 2.20 -1.26 -4.48 119.74 124.91 3h8j s LYS 37 Ca -0.04 2.57 -0.17 0.00 -0.36 0.00 0.00 55.97 57.97 3h8j s LYS 37 Cb -0.06 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 3h8j s LYS 37 CO -0.04 -0.74 0.43 0.42 -0.36 0.00 0.00 175.35 175.07 3h8j s ILE 38 N 1.23 5.09 0.43 5.43 1.01 -1.26 -5.06 121.20 128.07 3h8j s ILE 38 Ca 0.74 0.00 0.08 0.00 0.00 0.00 0.00 60.65 61.48 3h8j s ILE 38 Cb -0.49 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.05 3h8j s ILE 38 CO 0.32 -0.24 0.52 0.54 0.00 0.00 0.00 174.94 176.07 3h8j s ASN 39 N 1.77 5.37 0.21 3.58 2.20 -1.26 -4.23 114.94 122.58 3h8j s ASN 39 Ca 0.14 -0.59 -0.10 0.00 -0.94 0.00 0.00 52.86 51.37 3h8j s ASN 39 Cb -0.16 -0.52 0.21 0.00 -2.00 0.00 0.00 41.25 38.78 3h8j s ASN 39 CO 0.13 -0.78 1.82 0.25 -2.94 0.00 0.00 177.10 175.58 3h8j h LEU 40 N 0.74 0.58 -0.49 3.54 5.85 -1.93 -2.19 115.31 121.41 3h8j h LEU 40 Ca -0.40 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.27 3h8j h LEU 40 Cb 1.28 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3h8j h LEU 40 CO 0.49 0.38 0.00 -1.28 -0.34 0.00 0.00 178.44 177.70 3h8j h SER 41 N 0.71 0.84 -0.34 1.25 0.87 -1.98 0.32 113.55 115.22 3h8j h SER 41 Ca 0.28 -0.30 0.06 0.00 -1.23 0.00 0.00 61.79 60.60 3h8j h SER 41 Cb 0.13 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 61.81 3h8j h SER 41 CO -0.16 0.94 0.02 0.24 -0.53 0.00 0.00 176.83 177.34 3h8j h MET 42 N 0.72 0.12 -0.25 2.24 2.86 -1.89 -0.78 114.93 117.94 3h8j h MET 42 Ca 0.14 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.62 3h8j h MET 42 Cb 0.51 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 3h8j h MET 42 CO 0.02 0.08 -0.46 0.28 1.06 0.00 0.00 176.91 177.89 3h8j h VAL 43 N 0.12 1.30 -0.20 -2.22 2.07 -1.20 -2.03 116.25 114.10 3h8j h VAL 43 Ca 0.17 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 3h8j h VAL 43 Cb 0.22 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3h8j h VAL 43 CO -0.26 0.53 0.07 -0.09 0.02 0.00 0.00 177.57 177.84 3h8j h ARG 44 N 0.52 0.31 -0.28 1.57 2.43 -0.63 -0.62 114.38 117.67 3h8j h ARG 44 Ca 0.03 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3h8j h ARG 44 Cb 1.00 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 3h8j h ARG 44 CO 0.09 0.38 0.08 0.45 -1.51 0.00 0.00 179.97 179.47 3h8j h HIS 45 N 0.17 0.14 -0.39 2.20 3.86 -1.09 -1.42 115.15 118.63 3h8j h HIS 45 Ca 0.07 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3h8j h HIS 45 Cb 0.20 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 3h8j h HIS 45 CO -0.01 0.05 0.20 1.25 0.86 0.00 0.00 177.93 180.28 3h8j h LEU 46 N 0.19 0.49 -0.37 2.43 6.46 -1.20 -0.49 115.31 122.83 3h8j h LEU 46 Ca 0.13 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 3h8j h LEU 46 Cb 0.11 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 3h8j h LEU 46 CO -0.15 0.46 0.14 0.40 -0.62 0.00 0.00 178.44 178.68 3h8j h ILE 47 N 0.49 1.19 -0.36 4.05 2.04 -0.97 -1.08 117.51 122.87 3h8j h ILE 47 Ca 0.13 -0.60 -0.14 0.00 1.00 0.00 0.00 64.86 65.25 3h8j h ILE 47 Cb 0.09 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3h8j h ILE 47 CO -0.02 0.21 -0.34 -0.07 0.00 0.00 0.00 178.15 177.93 3h8j h LEU 48 N 0.45 0.85 -0.84 1.44 3.38 -1.16 -0.49 115.31 118.95 3h8j h LEU 48 Ca 0.12 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3h8j h LEU 48 Cb 0.20 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3h8j h LEU 48 CO -0.01 1.11 0.52 0.78 0.09 0.00 0.00 178.44 180.93 3h8j h ASN 49 N 0.67 0.99 -0.39 -0.43 2.35 -0.98 -0.96 115.58 116.84 3h8j h ASN 49 Ca 0.07 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 3h8j h ASN 49 Cb 0.90 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 3h8j h ASN 49 CO 0.08 0.76 -0.20 -1.28 -1.65 0.00 0.00 177.43 175.14 3h8j h SER 50 N 1.14 0.85 -0.49 5.81 0.87 -0.89 -2.39 113.55 118.45 3h8j h SER 50 Ca 0.30 -0.41 0.02 0.00 -1.23 0.00 0.00 61.79 60.47 3h8j h SER 50 Cb -0.07 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.63 3h8j h SER 50 CO -0.06 1.07 0.30 0.40 -0.53 0.00 0.00 176.83 178.01 3h8j h ILE 51 N 0.63 1.06 -0.56 2.23 2.04 -0.89 -1.98 117.51 120.05 3h8j h ILE 51 Ca 0.09 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.79 3h8j h ILE 51 Cb 0.76 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3h8j h ILE 51 CO 0.06 0.11 0.29 0.50 0.00 0.00 0.00 178.15 179.11 3h8j h LYS 52 N 0.59 0.54 -0.10 2.37 3.64 -0.97 0.38 116.57 123.03 3h8j h LYS 52 Ca 0.19 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3h8j h LYS 52 Cb 0.01 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3h8j h LYS 52 CO -0.08 0.36 0.03 0.35 -2.27 0.00 0.00 179.45 177.84 3h8j h PHE 53 N 0.56 0.16 0.00 1.91 3.04 -1.22 -2.82 116.94 118.57 3h8j h PHE 53 Ca 0.25 -0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.08 3h8j h PHE 53 Cb 0.15 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 3h8j h PHE 53 CO -0.10 0.29 -0.48 -0.91 -2.02 0.00 0.00 178.31 175.09 3h8j h ASN 54 N -0.02 0.00 -0.27 0.41 2.35 -1.07 -2.76 115.58 114.22 3h8j h ASN 54 Ca 0.03 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 3h8j h ASN 54 Cb 0.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 3h8j h ASN 54 CO -0.00 0.48 -0.25 0.58 -1.65 0.00 0.00 177.43 176.59 3h8j h VAL 55 N 0.00 1.31 -1.00 2.81 2.07 -0.97 -2.10 116.25 118.37 3h8j h VAL 55 Ca -0.00 -1.41 0.06 0.00 0.82 0.00 0.00 66.70 66.17 3h8j h VAL 55 Cb 1.32 1.62 -0.07 0.00 -1.52 0.00 0.00 31.29 32.64 3h8j h VAL 55 CO 0.06 0.45 0.64 0.50 0.02 0.00 0.00 177.57 179.24 3h8j h LYS 56 N 0.36 1.15 -0.21 1.57 3.64 -1.45 -0.19 116.57 121.44 3h8j h LYS 56 Ca 0.04 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3h8j h LYS 56 Cb 0.81 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3h8j h LYS 56 CO 0.06 0.76 0.13 -0.22 -2.27 0.00 0.00 179.45 177.91 3h8j h LYS 57 N 1.18 0.28 -0.30 1.90 1.63 -1.33 -1.68 116.57 118.25 3h8j h LYS 57 Ca 0.43 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.20 3h8j h LYS 57 Cb 0.14 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 3h8j h LYS 57 CO -0.17 0.20 0.18 0.00 -3.45 0.00 0.00 179.45 176.22 3h8j h ALA 58 N 1.06 0.39 -0.76 5.00 0.00 -0.73 -2.58 119.26 121.63 3h8j h ALA 58 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3h8j h ALA 58 Cb -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3h8j h ALA 58 CO -0.02 -0.11 0.31 0.87 0.00 0.00 0.00 179.25 180.30 3h8j h LYS 59 N 0.39 1.13 -0.21 0.00 1.57 -0.85 -0.62 116.57 117.99 3h8j h LYS 59 Ca 0.11 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.56 3h8j h LYS 59 Cb 0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3h8j h LYS 59 CO -0.02 0.92 -0.43 1.79 -0.57 0.00 0.00 179.45 181.14 3h8j h THR 60 N 1.11 1.31 0.00 -0.16 1.35 -1.23 -2.33 112.91 112.95 3h8j h THR 60 Ca 0.26 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 3h8j h THR 60 Cb 0.20 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3h8j h THR 60 CO -0.02 0.50 0.00 0.18 -0.25 0.00 0.00 175.52 175.93 3h8j n LEU 61 N -4.02 0.16 0.00 3.87 4.77 -0.98 -4.89 117.00 115.91 3h8j n LEU 61 Ca -0.02 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 3h8j n LEU 61 Cb 0.52 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3h8j n LEU 61 CO 0.45 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3h8j n GLY 62 N 0.56 1.06 3.41 -0.72 0.00 -0.79 -5.09 105.19 103.61 3h8j n GLY 62 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3h8j n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h8j s TYR 63 N -2.00 3.01 -0.14 1.61 2.02 -0.31 -4.60 117.35 116.94 3h8j s TYR 63 Ca 0.00 -0.59 0.12 0.00 -0.37 0.00 0.00 57.07 56.22 3h8j s TYR 63 Cb 0.00 -2.08 -0.17 0.00 -0.40 0.00 0.00 41.96 39.31 3h8j s TYR 63 CO 0.00 -0.33 0.04 0.25 -1.57 0.00 0.00 175.55 173.94 3h8j n THR 64 N 4.39 0.94 -2.83 -0.71 -2.24 -1.16 -3.23 114.28 109.44 3h8j n THR 64 Ca -0.17 -0.57 -0.43 0.00 -2.27 0.00 0.00 64.05 60.61 3h8j n THR 64 Cb 0.52 -0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 68.04 3h8j n THR 64 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3h8j s LYS 65 N -2.33 3.76 -0.23 -0.78 2.47 -1.15 -4.98 119.74 116.49 3h8j s LYS 65 Ca -0.08 0.45 -0.09 0.00 -1.56 0.00 0.00 55.97 54.69 3h8j s LYS 65 Cb 0.04 -3.83 -0.04 0.00 -1.46 0.00 0.00 37.83 32.54 3h8j s LYS 65 CO 0.55 -1.00 0.11 0.42 0.16 0.00 0.00 175.35 175.59 3h8j s ILE 66 N 3.50 4.92 -0.19 5.43 -1.09 -1.26 -0.19 121.20 132.33 3h8j s ILE 66 Ca 0.37 0.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.83 3h8j s ILE 66 Cb -0.12 -3.28 0.03 0.00 -1.58 0.00 0.00 42.46 37.51 3h8j s ILE 66 CO 0.20 0.36 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.40 3h8j s VAL 67 N 1.10 2.03 -0.36 2.92 1.01 0.42 -2.28 120.40 125.25 3h8j s VAL 67 Ca 0.06 -1.01 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 3h8j s VAL 67 Cb -0.14 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.36 3h8j s VAL 67 CO 0.04 0.45 0.59 -0.76 0.00 0.00 0.00 175.10 175.42 3h8j s LEU 68 N 1.28 4.30 -0.22 3.92 1.43 0.37 -1.04 118.68 128.71 3h8j s LEU 68 Ca 0.03 0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.06 3h8j s LEU 68 Cb -0.14 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 3h8j s LEU 68 CO -0.12 -0.55 0.31 0.00 0.23 0.00 0.00 176.35 176.22 3h8j s ILE 70 N 1.28 3.50 -0.26 0.00 -1.09 -0.40 -1.95 121.20 122.28 3h8j s ILE 70 Ca 0.14 -0.55 -0.23 0.00 -2.23 0.00 0.00 60.65 57.78 3h8j s ILE 70 Cb -0.14 -2.42 -0.01 0.00 -1.58 0.00 0.00 42.46 38.31 3h8j s ILE 70 CO 0.07 0.59 0.78 -1.81 -1.23 0.00 0.00 174.94 173.34 3h8j s ASP 71 N -0.74 6.75 -0.31 3.58 1.01 -1.26 -2.90 116.67 122.79 3h8j s ASP 71 Ca 0.11 0.90 0.01 0.00 0.71 0.00 0.00 52.55 54.28 3h8j s ASP 71 Cb -0.11 -2.41 0.10 0.00 1.01 0.00 0.00 42.92 41.51 3h8j s ASP 71 CO 0.01 -0.50 0.06 0.21 0.21 0.00 0.00 175.17 175.16 3h8j s ASN 72 N 1.42 4.26 -0.32 0.27 3.84 -0.98 -4.95 114.94 118.48 3h8j s ASN 72 Ca 0.32 -1.77 0.08 0.00 0.21 0.00 0.00 52.86 51.70 3h8j s ASN 72 Cb -0.15 -1.17 0.53 0.00 -0.55 0.00 0.00 41.25 39.92 3h8j s ASN 72 CO 0.08 -0.38 1.54 0.00 -2.79 0.00 0.00 177.10 175.55 3h8j n ALA 73 N 4.62 4.54 -0.33 1.71 0.00 -1.26 0.01 120.51 129.80 3h8j n ALA 73 Ca -0.01 -3.12 0.06 0.00 0.00 0.00 0.00 53.44 50.37 3h8j n ALA 73 Cb 0.42 -0.85 0.21 0.00 0.00 0.00 0.00 19.45 19.24 3h8j n ALA 73 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3h8j h LYS 74 N 1.00 0.83 -0.18 0.00 3.64 -1.96 -2.12 116.57 117.79 3h8j h LYS 74 Ca 0.29 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3h8j h LYS 74 Cb 1.85 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 3h8j h LYS 74 CO 0.50 0.55 0.00 0.43 -2.27 0.00 0.00 179.45 178.66 3h8j n SER 75 N -4.71 3.15 0.00 4.20 7.64 -1.26 -5.07 113.62 117.57 3h8j n SER 75 Ca 0.17 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 57.26 3h8j n SER 75 Cb 0.35 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3h8j n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h8j n GLY 76 N -0.60 0.71 3.01 0.23 0.00 -0.80 -4.90 105.19 102.85 3h8j n GLY 76 Ca 0.16 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 3h8j n GLY 76 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h8j s TYR 77 N 0.00 -0.12 0.47 1.61 2.02 -1.26 -4.02 117.35 116.05 3h8j s TYR 77 Ca 0.00 0.29 0.13 0.00 -0.37 0.00 0.00 57.07 57.11 3h8j s TYR 77 Cb 0.00 0.03 1.10 0.00 -0.40 0.00 0.00 41.96 42.69 3h8j s TYR 77 CO 0.00 -0.09 2.10 0.11 -1.57 0.00 0.00 175.55 176.10 3h8j h TRP 78 N 5.78 0.17 0.00 2.71 5.08 -1.58 -1.01 115.95 127.10 3h8j h TRP 78 Ca -0.26 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.64 3h8j h TRP 78 Cb 1.20 -0.06 -0.01 0.00 -3.00 0.00 0.00 29.16 27.29 3h8j h TRP 78 CO 0.43 0.13 -0.36 0.00 -1.28 0.00 0.00 178.44 177.36 3h8j h ARG 79 N 0.18 0.00 0.00 0.12 3.08 -1.95 -2.70 114.38 113.11 3h8j h ARG 79 Ca 0.05 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.91 3h8j h ARG 79 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3h8j h ARG 79 CO -0.01 0.36 -0.86 -0.09 -1.07 0.00 0.00 179.97 178.30 3h8j h ARG 80 N 0.00 0.03 0.00 0.04 2.43 -1.36 0.35 114.38 115.87 3h8j h ARG 80 Ca -0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3h8j h ARG 80 Cb 0.67 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3h8j h ARG 80 CO 0.05 0.88 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.87 3h8j h ASP 81 N 0.02 0.00 0.13 -3.80 3.32 -1.10 -2.43 116.42 112.55 3h8j h ASP 81 Ca -0.02 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.72 3h8j h ASP 81 Cb 1.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.06 3h8j h ASP 81 CO 0.12 0.07 -1.63 0.15 -1.72 0.00 0.00 179.24 176.22 3h8j h PHE 82 N 0.00 0.49 -3.04 4.55 3.57 -1.26 -3.44 116.94 117.81 3h8j h PHE 82 Ca -0.00 -0.36 -0.58 0.00 3.53 0.00 0.00 57.97 60.56 3h8j h PHE 82 Cb 0.14 -0.02 -0.40 0.00 2.79 0.00 0.00 35.95 38.46 3h8j h PHE 82 CO 0.00 1.64 -0.76 0.00 -2.23 0.00 0.00 178.31 176.96 3h8j s ALA 83 N -2.51 1.43 0.54 2.41 0.00 0.12 -5.02 121.76 118.72 3h8j s ALA 83 Ca -0.20 -1.71 0.27 0.00 0.00 0.00 0.00 51.96 50.32 3h8j s ALA 83 Cb 0.05 -1.62 1.43 0.00 0.00 0.00 0.00 23.12 22.99 3h8j s ALA 83 CO 0.78 -1.74 1.96 0.10 0.00 0.00 0.00 175.76 176.86 3h8j h TYR 84 N 7.91 0.00 0.00 0.00 -0.00 -1.71 -0.79 116.97 122.38 3h8j h TYR 84 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.61 3h8j h TYR 84 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.73 3h8j h TYR 84 CO 0.37 0.00 -0.09 2.48 -0.00 0.00 0.00 178.16 180.92 3h8j n TYR 85 N -4.29 0.36 -1.67 0.10 4.11 -1.26 -4.82 117.16 109.70 3h8j n TYR 85 Ca 0.12 0.11 -0.51 0.00 -0.00 0.00 0.00 57.90 57.62 3h8j n TYR 85 Cb 0.70 -0.64 -0.05 0.00 -0.00 0.00 0.00 39.34 39.34 3h8j n TYR 85 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.86 177.84 3h8j n TYR 86 N -1.81 2.08 -1.64 -3.48 9.36 -0.30 -1.87 117.16 119.50 3h8j n TYR 86 Ca 0.06 0.32 -0.17 0.00 3.32 0.00 0.00 57.90 61.43 3h8j n TYR 86 Cb 0.38 -2.52 -0.06 0.00 -0.63 0.00 0.00 39.34 36.51 3h8j n TYR 86 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3h8j n LYS 87 N 4.67 -1.46 0.22 2.98 5.02 -0.34 -4.84 118.16 124.40 3h8j n LYS 87 Ca 0.21 0.97 0.09 0.00 -2.02 0.00 0.00 58.31 57.56 3h8j n LYS 87 Cb 0.23 -5.33 0.42 0.00 -0.02 0.00 0.00 35.03 30.33 3h8j n LYS 87 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3h8j h LYS 88 N 0.00 0.00 0.00 1.97 1.79 -1.64 -2.99 116.57 115.70 3h8j h LYS 88 Ca -0.36 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.07 3h8j h LYS 88 Cb 1.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 3h8j h LYS 88 CO 0.50 0.24 -0.22 -2.95 -1.08 0.00 0.00 179.45 175.94 3h8j h ASN 89 N 0.00 0.00 -0.03 0.86 -0.00 -1.89 -2.95 115.58 111.57 3h8j h ASN 89 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.28 3h8j h ASN 89 Cb 0.79 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.11 3h8j h ASN 89 CO 0.03 0.22 -0.05 0.03 -0.00 0.00 0.00 177.43 177.66 3h8j h ARG 90 N 0.00 0.10 -0.92 4.14 3.08 -1.84 -2.98 114.38 115.95 3h8j h ARG 90 Ca -0.00 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.02 3h8j h ARG 90 Cb 0.41 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 3h8j h ARG 90 CO 0.03 0.61 0.61 0.78 -1.07 0.00 0.00 179.97 180.92 3h8j h GLY 91 N -0.41 1.32 0.20 0.04 0.00 -1.67 -0.93 103.07 101.63 3h8j h GLY 91 Ca 0.00 -0.46 0.16 0.00 0.00 0.00 0.00 47.33 47.03 3h8j h GLY 91 CO 0.01 0.41 0.50 1.70 0.00 0.00 0.00 176.54 179.16 3h8j h LYS 92 N 1.18 0.66 -0.56 4.80 3.64 -1.48 -2.21 116.57 122.61 3h8j h LYS 92 Ca 0.36 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.62 3h8j h LYS 92 Cb -0.02 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 3h8j h LYS 92 CO -0.10 0.44 0.03 0.00 -2.27 0.00 0.00 179.45 177.54 3h8j h ALA 93 N 1.59 0.75 -0.06 5.00 0.00 -1.02 -3.13 119.26 122.39 3h8j h ALA 93 Ca 0.50 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3h8j h ALA 93 Cb 0.72 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3h8j h ALA 93 CO -0.37 0.56 -0.58 0.00 0.00 0.00 0.00 179.25 178.86 3h8j h ARG 94 N 0.86 0.20 -0.86 0.00 3.08 -1.21 -3.07 114.38 113.37 3h8j h ARG 94 Ca 0.16 -0.13 0.20 0.00 0.07 0.00 0.00 59.98 60.28 3h8j h ARG 94 Cb 0.51 0.02 -0.12 0.00 0.08 0.00 0.00 29.97 30.46 3h8j h ARG 94 CO 0.02 0.72 0.36 0.93 -1.07 0.00 0.00 179.97 180.94 3h8j h GLU 95 N 0.15 0.40 0.38 0.04 5.08 -1.37 -2.82 114.58 116.44 3h8j h GLU 95 Ca -0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3h8j h GLU 95 Cb 1.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3h8j h GLU 95 CO 0.09 0.27 -0.18 0.93 -1.00 0.00 0.00 179.01 179.11 3h8j h GLU 96 N 0.41 -0.49 -4.25 2.33 5.08 -1.64 -3.47 114.58 112.55 3h8j h GLU 96 Ca 0.52 0.03 -0.43 0.00 -1.00 0.00 0.00 59.36 58.48 3h8j h GLU 96 Cb 0.93 0.11 0.13 0.00 0.50 0.00 0.00 28.75 30.42 3h8j h GLU 96 CO -0.50 -0.18 -0.80 0.45 -1.00 0.00 0.00 179.01 176.98 3h8j n SER 97 N -5.16 -2.53 -1.06 1.42 2.88 -1.07 -4.92 113.62 103.18 3h8j n SER 97 Ca -0.09 0.48 0.12 0.00 -1.33 0.00 0.00 58.87 58.04 3h8j n SER 97 Cb 0.28 -0.60 0.17 0.00 -0.75 0.00 0.00 64.21 63.31 3h8j n SER 97 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3h8j n THR 98 N -1.03 0.34 -2.60 2.46 5.66 -1.26 -4.94 114.28 112.91 3h8j n THR 98 Ca 0.06 -0.67 -0.37 0.00 -3.05 0.00 0.00 64.05 60.02 3h8j n THR 98 Cb 0.33 1.15 -0.05 0.00 -1.55 0.00 0.00 70.33 70.21 3h8j n THR 98 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 3h8j s TRP 99 N -1.62 3.40 -1.48 1.09 -0.00 -1.26 -2.10 118.94 116.97 3h8j s TRP 99 Ca 0.34 1.68 -0.12 0.00 -0.00 0.00 0.00 56.10 58.00 3h8j s TRP 99 Cb 0.21 -3.08 0.02 0.00 -0.00 0.00 0.00 33.47 30.62 3h8j s TRP 99 CO 0.30 -0.41 2.41 -3.47 -0.00 0.00 0.00 176.95 175.79 3h8j n ASP 100 N 0.17 5.75 -0.25 5.86 2.03 -1.26 -4.72 116.55 124.13 3h8j n ASP 100 Ca 0.04 -2.82 0.01 0.00 0.52 0.00 0.00 54.79 52.55 3h8j n ASP 100 Cb 0.49 -1.59 0.14 0.00 -0.72 0.00 0.00 41.12 39.45 3h8j n ASP 100 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 3h8j h TRP 101 N 5.58 0.63 -0.33 -0.67 4.06 -1.93 -0.69 115.95 122.59 3h8j h TRP 101 Ca 0.65 0.03 0.02 0.00 2.06 0.00 0.00 58.89 61.65 3h8j h TRP 101 Cb 0.51 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.46 3h8j h TRP 101 CO 1.57 0.23 0.16 1.49 -3.56 0.00 0.00 178.44 178.32 3h8j h GLU 102 N 0.60 0.32 -0.56 0.49 4.81 -1.98 -0.25 114.58 118.00 3h8j h GLU 102 Ca 0.35 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 3h8j h GLU 102 Cb 0.37 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3h8j h GLU 102 CO -0.27 0.21 0.11 0.78 -0.73 0.00 0.00 179.01 179.11 3h8j h GLY 103 N 0.33 0.99 0.90 1.92 0.00 -1.72 -1.35 103.07 104.13 3h8j h GLY 103 Ca 0.14 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3h8j h GLY 103 CO -0.10 0.60 -0.09 -1.82 0.00 0.00 0.00 176.54 175.12 3h8j h TYR 104 N 0.81 -0.23 -0.40 5.60 3.20 -0.69 -1.17 116.97 124.09 3h8j h TYR 104 Ca 0.17 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 3h8j h TYR 104 Cb 0.38 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 3h8j h TYR 104 CO 0.03 -0.14 0.06 0.74 -1.64 0.00 0.00 178.16 177.21 3h8j h PHE 105 N -0.21 0.71 -0.52 -3.82 0.04 -1.01 0.80 116.94 112.93 3h8j h PHE 105 Ca 0.00 -0.10 0.03 0.00 2.80 0.00 0.00 57.97 60.70 3h8j h PHE 105 Cb 0.20 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 3h8j h PHE 105 CO -0.11 0.70 0.30 1.49 -0.60 0.00 0.00 178.31 180.09 3h8j h GLU 106 N 0.51 0.57 -0.32 1.51 4.81 -1.19 -1.61 114.58 118.87 3h8j h GLU 106 Ca 0.12 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.14 3h8j h GLU 106 Cb 0.37 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3h8j h GLU 106 CO 0.01 0.38 -0.48 0.77 -0.73 0.00 0.00 179.01 178.95 3h8j h SER 107 N 0.59 0.95 -0.77 1.04 0.02 -1.05 -3.09 113.55 111.23 3h8j h SER 107 Ca 0.21 -0.48 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 3h8j h SER 107 Cb 0.05 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.29 3h8j h SER 107 CO -0.11 1.27 0.34 0.77 -1.14 0.00 0.00 176.83 177.96 3h8j h SER 108 N 0.68 1.05 -0.86 3.07 4.64 -0.52 -1.28 113.55 120.34 3h8j h SER 108 Ca 0.03 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 3h8j h SER 108 Cb 1.08 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.86 3h8j h SER 108 CO 0.11 0.91 0.44 0.45 -0.87 0.00 0.00 176.83 177.86 3h8j h HIS 109 N 1.13 1.21 -0.40 4.77 3.86 -1.30 0.29 115.15 124.72 3h8j h HIS 109 Ca 0.27 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.40 3h8j h HIS 109 Cb 0.17 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 3h8j h HIS 109 CO 0.02 0.86 0.14 0.87 0.86 0.00 0.00 177.93 180.68 3h8j h LYS 110 N 1.22 0.60 -0.62 2.45 1.57 -1.35 -2.40 116.57 118.03 3h8j h LYS 110 Ca 0.30 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3h8j h LYS 110 Cb 0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3h8j h LYS 110 CO -0.04 0.59 0.05 0.28 -0.57 0.00 0.00 179.45 179.75 3h8j h VAL 111 N 0.50 1.26 -0.78 0.50 2.07 -0.87 -2.23 116.25 116.70 3h8j h VAL 111 Ca 0.13 -1.10 0.06 0.00 0.82 0.00 0.00 66.70 66.61 3h8j h VAL 111 Cb 0.22 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 3h8j h VAL 111 CO -0.01 0.40 0.47 0.40 0.02 0.00 0.00 177.57 178.86 3h8j h ILE 112 N 0.97 1.03 -0.07 4.57 1.08 -0.81 0.11 117.51 124.39 3h8j h ILE 112 Ca 0.18 -0.30 -0.06 0.00 -0.39 0.00 0.00 64.86 64.29 3h8j h ILE 112 Cb 0.51 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 3h8j h ILE 112 CO 0.02 0.16 -0.25 0.44 -0.69 0.00 0.00 178.15 177.83 3h8j h ASP 113 N 0.87 0.12 -0.40 1.72 3.32 -1.16 -1.46 116.42 119.44 3h8j h ASP 113 Ca 0.34 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.28 3h8j h ASP 113 Cb 0.15 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3h8j h ASP 113 CO -0.17 0.37 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.32 3h8j h GLU 114 N 0.11 0.75 -0.75 3.56 5.08 -0.47 -2.09 114.58 120.77 3h8j h GLU 114 Ca 0.02 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 58.16 3h8j h GLU 114 Cb 0.51 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 3h8j h GLU 114 CO 0.04 0.88 0.44 -0.07 -1.00 0.00 0.00 179.01 179.29 3h8j h LEU 115 N 0.56 0.66 -1.22 1.33 3.38 -0.32 -0.66 115.31 119.05 3h8j h LEU 115 Ca 0.10 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3h8j h LEU 115 Cb 0.59 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3h8j h LEU 115 CO 0.03 0.42 0.14 0.11 0.09 0.00 0.00 178.44 179.23 3h8j h LYS 116 N 0.80 0.67 0.00 1.13 1.57 -1.07 -1.60 116.57 118.07 3h8j h LYS 116 Ca 0.34 -0.11 -0.23 0.00 -1.87 0.00 0.00 60.65 58.78 3h8j h LYS 116 Cb 0.20 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3h8j h LYS 116 CO -0.19 0.60 -1.20 0.00 -0.57 0.00 0.00 179.45 178.10 3h8j h ALA 117 N 1.49 0.51 0.00 3.86 0.00 -0.66 -3.43 119.26 121.03 3h8j h ALA 117 Ca 0.15 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3h8j h ALA 117 Cb 0.21 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3h8j h ALA 117 CO -0.01 1.30 -0.76 0.66 0.00 0.00 0.00 179.25 180.44 3h8j n TYR 118 N -3.23 0.00 -3.95 0.00 4.01 -0.32 -4.79 117.16 108.88 3h8j n TYR 118 Ca -0.05 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.40 3h8j n TYR 118 Cb 0.96 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.95 3h8j n TYR 118 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3h8j s MET 119 N -1.65 3.38 -0.23 -0.72 -1.94 -0.61 -3.47 119.30 114.06 3h8j s MET 119 Ca 0.00 -0.54 -0.01 0.00 -1.71 0.00 0.00 55.69 53.43 3h8j s MET 119 Cb 0.00 -2.97 0.13 0.00 2.01 0.00 0.00 34.83 34.00 3h8j s MET 119 CO 0.00 0.56 2.11 -0.35 -0.01 0.00 0.00 175.02 177.33 3h8j n PRO 120 N -0.08 1.63 -4.39 2.03 -0.04 -1.26 -4.38 135.00 128.50 3h8j n PRO 120 Ca -0.06 -1.17 -0.27 0.00 -0.04 0.00 0.00 63.50 61.95 3h8j n PRO 120 Cb 0.52 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 3h8j n PRO 120 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3h8j s TYR 121 N -1.23 2.24 -0.40 0.54 2.02 -1.26 -4.84 117.35 114.42 3h8j s TYR 121 Ca 0.25 -0.38 -0.29 0.00 -0.37 0.00 0.00 57.07 56.28 3h8j s TYR 121 Cb 0.19 -1.16 0.02 0.00 -0.40 0.00 0.00 41.96 40.61 3h8j s TYR 121 CO -0.02 0.39 1.15 0.42 -1.57 0.00 0.00 175.55 175.93 3h8j s ILE 122 N -1.37 4.29 -0.53 2.71 -1.09 -0.97 -4.91 121.20 119.33 3h8j s ILE 122 Ca 0.16 1.40 -0.16 0.00 -2.23 0.00 0.00 60.65 59.82 3h8j s ILE 122 Cb -0.09 -4.47 0.11 0.00 -1.58 0.00 0.00 42.46 36.44 3h8j s ILE 122 CO 0.07 -0.74 0.51 -0.69 -1.23 0.00 0.00 174.94 172.86 3h8j s VAL 123 N 4.21 5.16 -0.81 2.92 1.01 -1.26 -0.48 120.40 131.15 3h8j s VAL 123 Ca 0.49 -1.33 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 3h8j s VAL 123 Cb -0.10 -4.31 0.05 0.00 0.00 0.00 0.00 36.38 32.02 3h8j s VAL 123 CO 0.25 -0.84 1.24 -0.04 0.00 0.00 0.00 175.10 175.71 3h8j s MET 124 N 1.76 3.31 -0.19 2.72 -1.94 0.36 -4.93 119.30 120.39 3h8j s MET 124 Ca 0.04 -0.74 -0.04 0.00 -1.71 0.00 0.00 55.69 53.25 3h8j s MET 124 Cb -0.28 -4.55 0.06 0.00 2.01 0.00 0.00 34.83 32.07 3h8j s MET 124 CO 0.04 -2.06 0.06 0.34 -0.01 0.00 0.00 175.02 173.40 3h8j s ASP 125 N 4.02 2.69 -0.04 3.03 2.15 -1.26 -1.27 116.67 126.00 3h8j s ASP 125 Ca 0.35 -0.75 -0.00 0.00 0.43 0.00 0.00 52.55 52.57 3h8j s ASP 125 Cb -0.08 -0.45 0.03 0.00 -0.30 0.00 0.00 42.92 42.12 3h8j s ASP 125 CO 0.05 -0.33 0.00 -0.63 -0.17 0.00 0.00 175.17 174.10 3h8j s ILE 126 N 1.98 0.23 0.16 4.11 1.01 -1.26 -5.10 121.20 122.32 3h8j s ILE 126 Ca 0.01 0.11 -0.34 0.00 0.00 0.00 0.00 60.65 60.42 3h8j s ILE 126 Cb -0.17 -0.34 -0.14 0.00 0.01 0.00 0.00 42.46 41.82 3h8j s ILE 126 CO -0.09 0.18 1.54 -0.67 0.00 0.00 0.00 174.94 175.90 3h8j n ASP 127 N 4.45 2.93 0.00 3.58 -0.08 -1.26 -1.22 116.55 124.95 3h8j n ASP 127 Ca -0.20 1.09 0.00 0.00 -1.51 0.00 0.00 54.79 54.17 3h8j n ASP 127 Cb 0.50 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 42.56 3h8j n ASP 127 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3h8j n LYS 128 N 3.25 0.00 -4.48 -0.67 5.02 0.10 -4.95 118.16 116.42 3h8j n LYS 128 Ca 0.17 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.14 3h8j n LYS 128 Cb 0.28 -2.43 -0.11 0.00 -0.02 0.00 0.00 35.03 32.75 3h8j n LYS 128 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3h8j s TYR 129 N -2.54 2.81 0.13 2.13 1.51 -0.36 -1.34 117.35 119.69 3h8j s TYR 129 Ca 0.00 -0.10 0.03 0.00 -1.01 0.00 0.00 57.07 56.00 3h8j s TYR 129 Cb 0.00 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 3h8j s TYR 129 CO 0.00 0.35 0.18 -1.21 -1.11 0.00 0.00 175.55 173.76 3h8j s GLU 130 N -1.49 3.12 0.28 -0.62 2.02 -1.26 -2.33 118.70 118.41 3h8j s GLU 130 Ca 0.17 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.47 3h8j s GLU 130 Cb -0.11 -2.81 0.56 0.00 0.10 0.00 0.00 34.13 31.87 3h8j s GLU 130 CO 0.08 0.53 1.81 0.00 0.02 0.00 0.00 175.26 177.69 3h8j h ALA 131 N 2.61 1.45 0.00 5.21 0.00 -1.84 -0.11 119.26 126.58 3h8j h ALA 131 Ca -0.47 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3h8j h ALA 131 Cb 1.19 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3h8j h ALA 131 CO 0.67 0.11 -0.15 -0.44 0.00 0.00 0.00 179.25 179.44 3h8j h ASP 132 N 0.86 0.00 0.09 0.00 3.45 -1.94 -1.22 116.42 117.66 3h8j h ASP 132 Ca 0.49 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.95 3h8j h ASP 132 Cb 0.57 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 3h8j h ASP 132 CO -0.30 0.15 -0.04 0.44 -1.57 0.00 0.00 179.24 177.92 3h8j h ASP 133 N 0.00 -0.10 -0.44 6.45 3.32 -1.42 -0.77 116.42 123.46 3h8j h ASP 133 Ca -0.00 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 56.80 3h8j h ASP 133 Cb 0.34 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 3h8j h ASP 133 CO 0.02 0.23 0.23 0.45 -1.72 0.00 0.00 179.24 178.45 3h8j h HIS 134 N -0.44 0.43 0.03 4.55 3.86 -1.18 -1.44 115.15 120.95 3h8j h HIS 134 Ca -0.01 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3h8j h HIS 134 Cb 0.37 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.72 3h8j h HIS 134 CO 0.03 0.22 -0.01 0.82 0.86 0.00 0.00 177.93 179.85 3h8j h ILE 135 N 0.46 1.04 -0.58 2.45 2.04 -1.25 -0.24 117.51 121.44 3h8j h ILE 135 Ca 0.19 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.88 3h8j h ILE 135 Cb 0.08 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3h8j h ILE 135 CO -0.12 0.05 0.33 0.00 0.00 0.00 0.00 178.15 178.41 3h8j h ALA 136 N 0.84 0.76 0.01 1.87 0.00 -0.94 -0.36 119.26 121.44 3h8j h ALA 136 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 3h8j h ALA 136 Cb 0.12 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.80 3h8j h ALA 136 CO 0.01 0.02 -1.07 0.28 0.00 0.00 0.00 179.25 178.49 3h8j h VAL 137 N 0.64 1.28 -0.03 0.00 2.07 -1.18 -2.88 116.25 116.15 3h8j h VAL 137 Ca 0.25 -2.27 -0.14 0.00 0.82 0.00 0.00 66.70 65.36 3h8j h VAL 137 Cb 0.10 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3h8j h VAL 137 CO -0.14 0.70 -0.62 -0.07 0.02 0.00 0.00 177.57 177.47 3h8j h LEU 138 N 0.38 0.12 -0.35 2.57 3.38 -0.96 -2.10 115.31 118.35 3h8j h LEU 138 Ca -0.14 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3h8j h LEU 138 Cb 1.72 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 3h8j h LEU 138 CO 0.21 0.71 0.10 0.58 0.09 0.00 0.00 178.44 180.13 3h8j h VAL 139 N 0.08 1.21 -0.38 1.22 2.07 -1.08 0.18 116.25 119.55 3h8j h VAL 139 Ca -0.01 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 66.85 3h8j h VAL 139 Cb 1.11 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 3h8j h VAL 139 CO 0.09 0.24 0.15 0.50 0.02 0.00 0.00 177.57 178.57 3h8j h LYS 140 N 0.42 0.31 0.96 1.57 3.64 -1.41 0.03 116.57 122.10 3h8j h LYS 140 Ca 0.11 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3h8j h LYS 140 Cb 0.26 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3h8j h LYS 140 CO -0.00 0.20 -0.46 -0.22 -2.27 0.00 0.00 179.45 176.70 3h8j h LYS 141 N 0.32 -1.24 -0.69 1.90 3.64 -1.13 -2.72 116.57 116.64 3h8j h LYS 141 Ca 0.17 0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3h8j h LYS 141 Cb 0.13 0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 3h8j h LYS 141 CO -0.16 -0.83 0.35 0.74 -2.27 0.00 0.00 179.45 177.28 3h8j h PHE 142 N -1.32 0.96 -0.34 1.91 0.04 -0.60 -2.38 116.94 115.21 3h8j h PHE 142 Ca -0.13 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.58 3h8j h PHE 142 Cb 0.99 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.82 3h8j h PHE 142 CO 0.01 0.69 0.11 1.03 -0.60 0.00 0.00 178.31 179.55 3h8j h SER 143 N 0.97 0.50 0.35 2.17 0.87 -1.02 -1.61 113.55 115.78 3h8j h SER 143 Ca 0.24 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 3h8j h SER 143 Cb 0.08 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 3h8j h SER 143 CO -0.03 0.57 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.64 3h8j h LEU 144 N 0.40 0.00 -0.64 2.23 3.38 -1.23 -1.65 115.31 117.80 3h8j h LEU 144 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3h8j h LEU 144 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3h8j h LEU 144 CO -0.00 0.13 -0.03 -0.62 0.09 0.00 0.00 178.44 178.00 3h8j n GLU 145 N -3.72 1.35 -1.09 1.13 1.02 -0.76 -4.94 120.64 113.64 3h8j n GLU 145 Ca -0.02 -0.64 0.00 0.00 -0.02 0.00 0.00 57.16 56.48 3h8j n GLU 145 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3h8j n GLU 145 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h8j n GLY 146 N 1.16 0.64 3.79 0.62 0.00 -0.62 -5.00 105.19 105.78 3h8j n GLY 146 Ca 0.19 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 3h8j n GLY 146 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h8j s HIS 147 N -2.00 3.62 0.45 1.61 3.76 -0.68 -4.81 115.29 117.24 3h8j s HIS 147 Ca 0.00 0.87 -0.24 0.00 -0.15 0.00 0.00 55.06 55.54 3h8j s HIS 147 Cb 0.00 -2.35 -0.07 0.00 1.11 0.00 0.00 32.58 31.27 3h8j s HIS 147 CO 0.00 0.45 1.24 0.15 -0.85 0.00 0.00 174.74 175.73 3h8j s LYS 148 N -0.35 3.75 -0.04 1.40 1.02 -1.26 -4.42 119.74 119.84 3h8j s LYS 148 Ca 0.22 1.99 0.03 0.00 0.02 0.00 0.00 55.97 58.23 3h8j s LYS 148 Cb -0.15 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 3h8j s LYS 148 CO 0.10 -0.62 -0.13 0.42 -0.92 0.00 0.00 175.35 174.20 3h8j s ILE 149 N -1.39 1.16 -0.20 2.17 1.01 -0.19 -1.29 121.20 122.48 3h8j s ILE 149 Ca 0.62 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 3h8j s ILE 149 Cb -0.34 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.11 3h8j s ILE 149 CO 0.42 0.35 -0.13 -0.22 0.00 0.00 0.00 174.94 175.36 3h8j s LEU 150 N 0.27 2.50 -0.25 2.97 2.96 -0.42 -1.37 118.68 125.34 3h8j s LEU 150 Ca -0.07 -0.52 -0.14 0.00 -0.22 0.00 0.00 54.13 53.19 3h8j s LEU 150 Cb -0.12 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3h8j s LEU 150 CO 0.02 0.00 0.31 -0.63 -1.32 0.00 0.00 176.35 174.73 3h8j s ILE 151 N 1.32 5.23 -0.42 6.68 1.01 0.44 -0.53 121.20 134.93 3h8j s ILE 151 Ca 0.04 0.47 -0.16 0.00 0.00 0.00 0.00 60.65 61.00 3h8j s ILE 151 Cb -0.14 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.71 3h8j s ILE 151 CO -0.07 0.22 0.37 -0.63 0.00 0.00 0.00 174.94 174.84 3h8j s ILE 152 N 1.69 5.17 -0.21 2.92 1.01 -0.16 -0.86 121.20 130.76 3h8j s ILE 152 Ca 0.13 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 3h8j s ILE 152 Cb -0.15 -3.99 0.08 0.00 0.01 0.00 0.00 42.46 38.41 3h8j s ILE 152 CO 0.09 -0.38 0.49 -0.55 0.00 0.00 0.00 174.94 174.59 3h8j s SER 153 N 1.76 -0.58 0.16 3.58 0.15 -0.57 -0.58 113.70 117.61 3h8j s SER 153 Ca 0.09 1.12 -0.10 0.00 0.70 0.00 0.00 55.95 57.75 3h8j s SER 153 Cb -0.18 1.26 -0.00 0.00 -1.71 0.00 0.00 66.02 65.39 3h8j s SER 153 CO 0.12 -0.22 1.52 0.28 1.20 0.00 0.00 173.24 176.14 3h8j h SER 154 N 7.57 1.00 0.00 5.45 0.02 -1.89 -3.34 113.55 122.36 3h8j h SER 154 Ca -0.26 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.27 3h8j h SER 154 Cb 1.16 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.42 3h8j h SER 154 CO 0.19 1.21 0.00 0.47 -1.14 0.00 0.00 176.83 177.56 3h8j n ASP 155 N -4.08 0.17 -4.77 3.07 9.92 -1.26 -4.71 116.55 114.89 3h8j n ASP 155 Ca -0.01 -1.04 -0.40 0.00 -0.53 0.00 0.00 54.79 52.81 3h8j n ASP 155 Cb 0.50 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.99 3h8j n ASP 155 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3h8j s GLY 156 N -0.04 2.93 -0.43 0.44 0.00 -1.26 -4.97 107.32 103.99 3h8j s GLY 156 Ca 0.00 1.47 -0.15 0.00 0.00 0.00 0.00 44.72 46.04 3h8j s GLY 156 CO 0.00 2.10 0.33 -0.35 0.00 0.00 0.00 173.10 175.18 3h8j s ASP 157 N -0.43 6.12 -0.19 1.64 3.68 -1.26 -4.92 116.67 121.31 3h8j s ASP 157 Ca 0.59 -1.01 0.14 0.00 2.13 0.00 0.00 52.55 54.40 3h8j s ASP 157 Cb -0.44 -2.17 0.40 0.00 -1.45 0.00 0.00 42.92 39.26 3h8j s ASP 157 CO 0.57 -0.50 1.26 0.49 0.13 0.00 0.00 175.17 177.12 3h8j n PHE 158 N 5.17 0.28 0.30 -5.34 3.72 -1.26 -4.70 117.46 115.64 3h8j n PHE 158 Ca -0.11 -1.25 0.17 0.00 -0.05 0.00 0.00 57.45 56.21 3h8j n PHE 158 Cb 0.46 -0.26 0.81 0.00 -0.94 0.00 0.00 39.48 39.55 3h8j n PHE 158 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3h8j h THR 159 N 0.71 0.00 0.00 4.37 1.35 -1.83 -0.43 112.91 117.09 3h8j h THR 159 Ca 0.03 -0.24 -0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3h8j h THR 159 Cb 1.16 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3h8j h THR 159 CO 0.09 0.00 -0.01 1.56 -0.25 0.00 0.00 175.52 176.91 3h8j h GLN 160 N 0.00 0.00 -0.62 4.72 4.20 -1.85 -1.56 115.11 120.01 3h8j h GLN 160 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h8j h GLN 160 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3h8j h GLN 160 CO 0.00 0.01 0.00 1.28 -0.67 0.00 0.00 178.83 179.45 3h8j n LEU 161 N -3.23 2.89 0.32 1.46 4.77 -0.17 -4.49 117.00 118.54 3h8j n LEU 161 Ca -0.02 -1.46 0.20 0.00 -0.03 0.00 0.00 56.01 54.70 3h8j n LEU 161 Cb 0.12 -0.46 1.08 0.00 -2.33 0.00 0.00 43.42 41.83 3h8j n LEU 161 CO 0.23 0.48 1.16 1.12 -1.33 0.00 0.00 177.39 179.05 3h8j h HIS 162 N 2.17 0.00 0.00 -1.77 2.07 -1.45 -2.12 115.15 114.04 3h8j h HIS 162 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3h8j h HIS 162 Cb 0.96 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.94 3h8j h HIS 162 CO 0.44 0.00 -0.04 0.87 -3.07 0.00 0.00 177.93 176.13 3h8j h LYS 163 N 0.00 0.00 -6.42 5.12 1.57 -1.86 -3.45 116.57 111.54 3h8j h LYS 163 Ca 0.01 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3h8j h LYS 163 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3h8j h LYS 163 CO -0.00 0.00 0.28 0.71 -0.57 0.00 0.00 179.45 179.87 3h8j s TYR 164 N -3.18 3.75 0.52 -1.35 2.02 -0.80 -5.03 117.35 113.27 3h8j s TYR 164 Ca 0.08 1.64 -0.19 0.00 -0.37 0.00 0.00 57.07 58.23 3h8j s TYR 164 Cb 0.07 -2.97 -0.07 0.00 -0.40 0.00 0.00 41.96 38.59 3h8j s TYR 164 CO 0.65 0.19 1.07 -1.25 -1.57 0.00 0.00 175.55 174.64 3h8j s PRO 165 N 0.20 3.60 -1.26 -1.71 0.04 -1.26 -4.18 135.00 130.42 3h8j s PRO 165 Ca 0.44 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.89 3h8j s PRO 165 Cb -0.22 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3h8j s PRO 165 CO 0.27 -0.61 0.86 0.09 0.04 0.00 0.00 177.00 177.64 3h8j n ASN 166 N -1.22 -1.78 -4.15 6.66 4.13 -1.26 -4.83 115.26 112.81 3h8j n ASN 166 Ca 0.10 -0.72 -0.33 0.00 1.68 0.00 0.00 54.58 55.31 3h8j n ASN 166 Cb 0.52 -4.58 -0.16 0.00 -1.54 0.00 0.00 39.78 34.02 3h8j n ASN 166 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3h8j s VAL 167 N -3.51 2.11 0.23 2.41 1.01 -1.26 -1.02 120.40 120.38 3h8j s VAL 167 Ca 0.03 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 61.18 3h8j s VAL 167 Cb -0.01 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 3h8j s VAL 167 CO 0.77 0.54 -0.20 -0.54 0.00 0.00 0.00 175.10 175.67 3h8j s LYS 168 N 1.09 1.54 -0.05 2.72 1.02 -0.47 -4.87 119.74 120.72 3h8j s LYS 168 Ca -0.00 -1.64 0.01 0.00 0.02 0.00 0.00 55.97 54.35 3h8j s LYS 168 Cb -0.14 -1.64 0.02 0.00 -0.52 0.00 0.00 37.83 35.55 3h8j s LYS 168 CO -0.08 0.32 -0.05 -1.14 -0.92 0.00 0.00 175.35 173.48 3h8j s GLN 169 N -3.25 0.94 -0.11 1.68 0.74 -1.26 -0.42 119.66 117.98 3h8j s GLN 169 Ca 0.25 -0.12 -0.00 0.00 0.05 0.00 0.00 55.36 55.54 3h8j s GLN 169 Cb -0.05 -0.96 -0.02 0.00 1.10 0.00 0.00 33.01 33.07 3h8j s GLN 169 CO 0.12 -0.11 -0.08 -0.46 -0.55 0.00 0.00 175.29 174.20 3h8j s TRP 170 N 1.08 2.90 -0.36 1.67 -0.11 -0.04 -0.66 118.94 123.42 3h8j s TRP 170 Ca -0.08 -0.26 -0.11 0.00 1.22 0.00 0.00 56.10 56.86 3h8j s TRP 170 Cb -0.14 -1.81 0.02 0.00 -1.50 0.00 0.00 33.47 30.04 3h8j s TRP 170 CO -0.01 0.07 0.20 0.45 -4.62 0.00 0.00 176.95 173.05 3h8j s SER 171 N -0.16 5.73 0.20 5.86 0.15 -0.34 -1.51 113.70 123.63 3h8j s SER 171 Ca 0.01 -0.89 -0.08 0.00 0.70 0.00 0.00 55.95 55.70 3h8j s SER 171 Cb -0.13 -2.03 0.13 0.00 -1.71 0.00 0.00 66.02 62.28 3h8j s SER 171 CO 0.03 -0.35 1.70 -0.65 1.20 0.00 0.00 173.24 175.17 3h8j h PRO 172 N 8.44 1.09 -0.58 5.44 0.11 -1.87 0.19 132.00 144.81 3h8j h PRO 172 Ca -0.27 -0.29 -0.09 0.00 0.11 0.00 0.00 66.00 65.47 3h8j h PRO 172 Cb 1.11 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3h8j h PRO 172 CO 0.66 1.00 0.02 1.98 -0.21 0.00 0.00 178.00 181.45 3h8j h MET 173 N 1.02 1.01 -0.03 1.05 4.05 -1.92 -3.11 114.93 117.00 3h8j h MET 173 Ca 0.20 -0.31 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 3h8j h MET 173 Cb 0.43 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 3h8j h MET 173 CO 0.01 0.99 -0.01 0.72 0.23 0.00 0.00 176.91 178.85 3h8j n HIS 174 N -4.24 0.00 -3.88 1.39 8.25 -1.19 -4.99 115.22 110.55 3h8j n HIS 174 Ca 0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.15 3h8j n HIS 174 Cb 0.32 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.45 3h8j n HIS 174 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3h8j n LYS 175 N 1.22 -1.57 -3.61 -0.41 5.02 0.64 -4.96 118.16 114.50 3h8j n LYS 175 Ca 0.13 0.34 -0.10 0.00 -2.02 0.00 0.00 58.31 56.65 3h8j n LYS 175 Cb 0.55 -3.86 -0.03 0.00 -0.02 0.00 0.00 35.03 31.68 3h8j n LYS 175 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3h8j s LYS 176 N -6.54 1.38 0.33 1.97 -2.85 -1.13 -5.00 119.74 107.90 3h8j s LYS 176 Ca 0.32 -0.70 -0.26 0.00 -1.00 0.00 0.00 55.97 54.33 3h8j s LYS 176 Cb -0.14 0.56 -0.09 0.00 -2.06 0.00 0.00 37.83 36.10 3h8j s LYS 176 CO 0.90 -0.60 1.00 -1.58 0.10 0.00 0.00 175.35 175.17 3h8j s TRP 177 N -3.82 3.58 -0.10 1.78 0.52 -1.26 -1.20 118.94 118.44 3h8j s TRP 177 Ca 0.05 1.74 0.01 0.00 0.02 0.00 0.00 56.10 57.92 3h8j s TRP 177 Cb -0.02 -3.04 -0.02 0.00 -1.15 0.00 0.00 33.47 29.24 3h8j s TRP 177 CO -0.06 -0.13 -0.11 0.08 0.02 0.00 0.00 176.95 176.74 3h8j s VAL 178 N -1.52 3.31 0.20 4.03 1.01 0.16 -4.91 120.40 122.68 3h8j s VAL 178 Ca 0.51 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.57 3h8j s VAL 178 Cb -0.22 -2.36 -0.11 0.00 0.00 0.00 0.00 36.38 33.69 3h8j s VAL 178 CO 0.28 0.55 1.59 -0.54 0.00 0.00 0.00 175.10 176.98 3h8j s LYS 179 N -0.20 4.19 -0.22 2.72 -0.14 -1.26 -4.15 119.74 120.68 3h8j s LYS 179 Ca 0.01 2.43 -0.11 0.00 -1.36 0.00 0.00 55.97 56.95 3h8j s LYS 179 Cb -0.13 -3.12 -0.10 0.00 -1.68 0.00 0.00 37.83 32.81 3h8j s LYS 179 CO 0.03 -0.62 -0.28 -0.89 -0.76 0.00 0.00 175.35 172.83 3h8j n ILE 180 N 3.54 1.20 -2.73 2.17 2.08 -1.26 -4.64 119.36 119.71 3h8j n ILE 180 Ca 0.13 -0.31 -0.43 0.00 0.56 0.00 0.00 62.75 62.70 3h8j n ILE 180 Cb 0.38 -1.79 -0.01 0.00 -0.75 0.00 0.00 39.64 37.47 3h8j n ILE 180 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3h8j s LYS 181 N -2.40 3.84 0.29 0.38 1.02 -1.26 -4.34 119.74 117.27 3h8j s LYS 181 Ca -0.31 -1.88 0.20 0.00 0.02 0.00 0.00 55.97 54.00 3h8j s LYS 181 Cb 0.12 -5.26 0.12 0.00 -0.52 0.00 0.00 37.83 32.29 3h8j s LYS 181 CO 0.39 -2.04 1.32 0.66 -0.92 0.00 0.00 175.35 174.76 3h8j h SER 182 N 8.25 0.00 0.00 2.83 4.64 -1.89 -3.48 113.55 123.91 3h8j h SER 182 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3h8j h SER 182 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3h8j h SER 182 CO 1.33 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 178.11 3h8j n GLY 183 N 1.19 2.54 0.61 -0.77 0.00 -1.26 -4.78 105.19 102.73 3h8j n GLY 183 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3h8j n GLY 183 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h8j n SER 184 N 0.00 1.14 0.03 1.61 3.41 -1.26 -4.92 113.62 113.63 3h8j n SER 184 Ca 0.00 -2.61 -0.11 0.00 -0.26 0.00 0.00 58.87 55.89 3h8j n SER 184 Cb 0.00 -0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 63.56 3h8j n SER 184 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h8j h ALA 185 N 0.38 -0.06 -0.67 7.33 0.00 -1.88 0.23 119.26 124.60 3h8j h ALA 185 Ca -0.05 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3h8j h ALA 185 Cb 1.33 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 3h8j h ALA 185 CO 0.02 -0.56 0.10 0.93 0.00 0.00 0.00 179.25 179.74 3h8j h GLU 186 N -0.12 1.11 -0.57 0.00 4.39 -1.91 -0.31 114.58 117.16 3h8j h GLU 186 Ca 0.04 -0.30 -0.10 0.00 0.34 0.00 0.00 59.36 59.34 3h8j h GLU 186 Cb 0.18 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3h8j h GLU 186 CO -0.11 1.02 -0.04 0.82 -1.16 0.00 0.00 179.01 179.55 3h8j h ILE 187 N 1.04 1.27 -0.38 3.13 2.04 -1.85 -0.66 117.51 122.09 3h8j h ILE 187 Ca 0.20 -1.19 -0.10 0.00 1.00 0.00 0.00 64.86 64.77 3h8j h ILE 187 Cb 0.46 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3h8j h ILE 187 CO 0.01 0.43 -0.18 0.44 0.00 0.00 0.00 178.15 178.85 3h8j h ASP 188 N 0.93 0.73 -0.26 1.72 3.32 -0.65 -0.65 116.42 121.55 3h8j h ASP 188 Ca 0.16 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 3h8j h ASP 188 Cb 0.60 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3h8j h ASP 188 CO 0.04 0.91 -0.00 0.00 -1.72 0.00 0.00 179.24 178.46 3h8j h MET 190 N 0.24 0.00 -0.81 0.00 1.85 -0.87 -2.18 114.93 113.16 3h8j h MET 190 Ca 0.07 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.12 3h8j h MET 190 Cb 0.42 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.41 3h8j h MET 190 CO 0.01 0.27 0.35 1.15 -0.40 0.00 0.00 176.91 178.29 3h8j h THR 191 N 0.00 1.26 -0.34 -0.77 2.02 -1.06 -0.67 112.91 113.35 3h8j h THR 191 Ca -0.00 -0.79 -0.13 0.00 0.77 0.00 0.00 66.41 66.26 3h8j h THR 191 Cb 0.52 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3h8j h THR 191 CO 0.03 0.33 -0.28 0.11 0.37 0.00 0.00 175.52 176.09 3h8j h LYS 192 N 1.17 0.79 -0.75 6.66 1.57 -1.39 0.12 116.57 124.74 3h8j h LYS 192 Ca 0.27 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3h8j h LYS 192 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3h8j h LYS 192 CO -0.03 1.02 0.37 0.82 -0.57 0.00 0.00 179.45 181.06 3h8j h ILE 193 N 0.57 1.24 0.10 1.86 2.04 -1.13 -0.24 117.51 121.95 3h8j h ILE 193 Ca 0.06 -0.67 -0.36 0.00 1.00 0.00 0.00 64.86 64.90 3h8j h ILE 193 Cb 0.85 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3h8j h ILE 193 CO 0.07 0.28 -1.98 0.18 0.00 0.00 0.00 178.15 176.71 3h8j n LEU 194 N -4.40 2.59 0.00 1.44 4.77 -0.28 -4.40 117.00 116.72 3h8j n LEU 194 Ca 0.07 0.20 0.11 0.00 -0.03 0.00 0.00 56.01 56.35 3h8j n LEU 194 Cb 0.13 -1.08 -0.01 0.00 -2.33 0.00 0.00 43.42 40.13 3h8j n LEU 194 CO 0.39 0.80 0.04 0.29 -1.33 0.00 0.00 177.39 177.58 3h8j n LYS 195 N -3.57 0.08 0.00 3.23 5.02 0.41 -1.36 118.16 121.98 3h8j n LYS 195 Ca -0.34 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 3h8j n LYS 195 Cb 1.00 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 3h8j n LYS 195 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h8j n GLY 196 N 1.47 0.17 2.52 0.72 0.00 -0.10 -3.47 105.19 106.50 3h8j n GLY 196 Ca 0.04 -1.96 -0.24 0.00 0.00 0.00 0.00 46.02 43.86 3h8j n GLY 196 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h8j s ASP 197 N -0.64 1.71 0.48 1.61 2.15 0.25 -4.37 116.67 117.86 3h8j s ASP 197 Ca 0.00 -2.35 0.20 0.00 0.43 0.00 0.00 52.55 50.83 3h8j s ASP 197 Cb 0.00 -0.05 1.22 0.00 -0.30 0.00 0.00 42.92 43.79 3h8j s ASP 197 CO 0.00 -0.23 1.97 0.50 -0.17 0.00 0.00 175.17 177.24 3h8j h LYS 198 N 6.38 0.20 0.00 4.34 3.64 -1.91 0.45 116.57 129.67 3h8j h LYS 198 Ca 0.14 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3h8j h LYS 198 Cb 0.98 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3h8j h LYS 198 CO 0.27 0.13 -0.01 1.57 -2.27 0.00 0.00 179.45 179.15 3h8j h LYS 199 N 0.21 0.00 -0.07 1.90 2.10 -1.95 -1.27 116.57 117.48 3h8j h LYS 199 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 3h8j h LYS 199 Cb 0.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 3h8j h LYS 199 CO -0.06 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.15 3h8j n ASP 200 N -3.19 2.46 -1.16 7.07 8.00 0.09 -4.83 116.55 124.99 3h8j n ASP 200 Ca -0.02 -2.57 -0.15 0.00 0.71 0.00 0.00 54.79 52.76 3h8j n ASP 200 Cb 0.11 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 40.88 3h8j n ASP 200 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3h8j n ASN 201 N -0.78 -4.88 -4.70 -2.24 4.13 -0.48 -1.20 115.26 105.10 3h8j n ASN 201 Ca 0.10 0.37 -0.41 0.00 1.68 0.00 0.00 54.58 56.33 3h8j n ASN 201 Cb 0.50 -3.71 -0.04 0.00 -1.54 0.00 0.00 39.78 34.99 3h8j n ASN 201 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3h8j s VAL 202 N -2.54 4.93 0.26 2.41 1.01 -0.84 -4.67 120.40 120.96 3h8j s VAL 202 Ca 0.00 1.74 0.06 0.00 0.00 0.00 0.00 61.98 63.79 3h8j s VAL 202 Cb 0.00 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 3h8j s VAL 202 CO 0.00 0.15 0.25 0.00 0.00 0.00 0.00 175.10 175.51 3h8j s ALA 203 N 1.27 3.71 0.72 5.51 0.00 -1.26 -0.59 121.76 131.13 3h8j s ALA 203 Ca 0.43 -1.38 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 3h8j s ALA 203 Cb -0.19 -1.42 0.03 0.00 0.00 0.00 0.00 23.12 21.54 3h8j s ALA 203 CO 0.20 0.23 1.20 0.45 0.00 0.00 0.00 175.76 177.84 3h8j n SER 204 N -1.27 1.38 0.00 0.00 2.88 -1.23 -4.05 113.62 111.33 3h8j n SER 204 Ca -0.08 0.70 0.09 0.00 -1.33 0.00 0.00 58.87 58.26 3h8j n SER 204 Cb 0.58 -1.51 0.45 0.00 -0.75 0.00 0.00 64.21 62.97 3h8j n SER 204 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3h8j n VAL 205 N -2.57 0.51 0.84 2.46 0.24 -0.46 -2.54 118.33 116.82 3h8j n VAL 205 Ca 0.14 0.13 0.11 0.00 -2.04 0.00 0.00 64.34 62.68 3h8j n VAL 205 Cb 0.49 -0.82 0.30 0.00 -1.47 0.00 0.00 33.84 32.34 3h8j n VAL 205 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3h8j n LYS 206 N -1.33 2.03 -4.34 7.34 5.02 -1.26 -4.35 118.16 121.27 3h8j n LYS 206 Ca 0.08 -1.56 -0.17 0.00 -2.02 0.00 0.00 58.31 54.64 3h8j n LYS 206 Cb 0.16 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.64 3h8j n LYS 206 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3h8j s VAL 207 N -1.65 0.84 0.69 -0.18 -7.23 -1.05 -4.78 120.40 107.04 3h8j s VAL 207 Ca 0.34 -2.01 -0.17 0.00 -1.81 0.00 0.00 61.98 58.33 3h8j s VAL 207 Cb 0.19 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.62 3h8j s VAL 207 CO 0.27 -0.15 1.26 -2.11 -0.31 0.00 0.00 175.10 174.06 3h8j n ARG 208 N -0.47 0.88 -0.29 4.82 1.85 -1.26 -4.84 116.66 117.35 3h8j n ARG 208 Ca -0.03 0.36 0.03 0.00 -1.00 0.00 0.00 57.85 57.21 3h8j n ARG 208 Cb 0.65 -2.50 0.23 0.00 -1.05 0.00 0.00 32.46 29.79 3h8j n ARG 208 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3h8j h SER 209 N 0.18 0.92 -0.55 2.89 4.64 -1.96 -1.82 113.55 117.85 3h8j h SER 209 Ca -0.50 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.67 3h8j h SER 209 Cb 1.33 -0.20 -0.09 0.00 -0.31 0.00 0.00 62.40 63.13 3h8j h SER 209 CO 0.51 0.62 0.19 -0.90 -0.87 0.00 0.00 176.83 176.38 3h8j n ASP 210 N -4.46 4.19 -0.23 4.97 3.85 -1.26 -4.38 116.55 119.23 3h8j n ASP 210 Ca 0.12 -2.90 -0.04 0.00 -0.71 0.00 0.00 54.79 51.27 3h8j n ASP 210 Cb 0.14 -0.69 0.02 0.00 -1.35 0.00 0.00 41.12 39.25 3h8j n ASP 210 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 3h8j h PHE 211 N 2.15 -0.85 0.00 2.11 3.57 -1.67 -0.47 116.94 121.78 3h8j h PHE 211 Ca 0.18 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 3h8j h PHE 211 Cb 1.92 0.47 -0.00 0.00 2.79 0.00 0.00 35.95 41.13 3h8j h PHE 211 CO 0.97 -0.37 -0.10 -1.49 -2.23 0.00 0.00 178.31 175.09 3h8j h TRP 212 N -0.12 0.00 0.00 0.41 -0.00 -1.83 0.17 115.95 114.59 3h8j h TRP 212 Ca 0.27 0.00 -0.13 0.00 -0.00 0.00 0.00 58.89 59.03 3h8j h TRP 212 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.69 3h8j h TRP 212 CO -0.65 0.10 -1.36 0.34 -0.00 0.00 0.00 178.44 176.87 3h8j n PHE 213 N -3.72 0.93 -0.48 0.49 7.35 -0.31 -4.31 117.46 117.41 3h8j n PHE 213 Ca -0.02 0.30 0.05 0.00 -0.76 0.00 0.00 57.45 57.02 3h8j n PHE 213 Cb 0.21 -1.04 0.08 0.00 0.35 0.00 0.00 39.48 39.08 3h8j n PHE 213 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3h8j n THR 214 N -2.82 1.42 -1.69 -2.13 -2.24 -0.44 -5.05 114.28 101.32 3h8j n THR 214 Ca -0.08 -1.53 -0.44 0.00 -2.27 0.00 0.00 64.05 59.73 3h8j n THR 214 Cb 0.77 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 69.14 3h8j n THR 214 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3h8j n ARG 215 N -0.78 2.48 -3.80 -0.78 0.63 0.02 -5.00 116.66 109.43 3h8j n ARG 215 Ca 0.08 0.89 -0.27 0.00 -0.92 0.00 0.00 57.85 57.64 3h8j n ARG 215 Cb 0.45 -2.71 -0.03 0.00 0.45 0.00 0.00 32.46 30.62 3h8j n ARG 215 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3h8j s VAL 216 N 1.32 5.25 0.06 5.15 -7.23 -1.26 -5.03 120.40 118.66 3h8j s VAL 216 Ca 0.78 -0.52 -0.35 0.00 -1.81 0.00 0.00 61.98 60.08 3h8j s VAL 216 Cb -0.59 -3.74 -0.15 0.00 0.56 0.00 0.00 36.38 32.46 3h8j s VAL 216 CO 0.36 -0.15 1.57 -0.62 -0.31 0.00 0.00 175.10 175.94 3h8j n GLU 217 N -0.66 1.77 0.00 4.82 1.02 -1.26 -1.53 120.64 124.79 3h8j n GLU 217 Ca -0.06 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 3h8j n GLU 217 Cb 0.54 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 3h8j n GLU 217 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h8j n GLY 218 N 3.36 2.12 3.75 0.62 0.00 -1.26 -5.05 105.19 108.73 3h8j n GLY 218 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3h8j n GLY 218 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h8j s GLU 219 N -1.00 4.40 0.12 1.61 2.12 -0.58 -5.04 118.70 120.33 3h8j s GLU 219 Ca 0.00 2.10 0.06 0.00 0.36 0.00 0.00 54.97 57.49 3h8j s GLU 219 Cb 0.00 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 3h8j s GLU 219 CO 0.00 -0.19 -0.14 1.03 -0.54 0.00 0.00 175.26 175.42 3h8j s ARG 220 N -0.83 1.01 -0.23 4.30 1.81 -1.26 -4.97 118.95 118.78 3h8j s ARG 220 Ca 0.53 -1.22 -0.19 0.00 -1.72 0.00 0.00 55.73 53.12 3h8j s ARG 220 Cb -0.37 -0.89 -0.03 0.00 -0.45 0.00 0.00 34.95 33.21 3h8j s ARG 220 CO 0.44 0.17 0.57 0.99 -0.68 0.00 0.00 175.30 176.79 3h8j s THR 221 N -2.11 5.04 0.36 0.02 2.01 -1.26 -5.04 115.64 114.67 3h8j s THR 221 Ca 0.08 1.04 -0.28 0.00 0.31 0.00 0.00 61.69 62.84 3h8j s THR 221 Cb -0.05 -3.89 -0.11 0.00 0.01 0.00 0.00 72.50 68.46 3h8j s THR 221 CO 0.03 0.10 1.44 -2.65 -0.69 0.00 0.00 174.62 172.85 3h8j n PRO 222 N 5.28 2.53 -1.31 4.92 -0.02 -1.26 -4.95 135.00 140.19 3h8j n PRO 222 Ca -0.03 0.89 -0.32 0.00 -2.02 0.00 0.00 63.50 62.02 3h8j n PRO 222 Cb 0.50 -2.58 0.09 0.00 -0.02 0.00 0.00 33.50 31.49 3h8j n PRO 222 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3h8j s SER 223 N -0.15 4.36 -0.02 2.55 1.04 -1.26 -4.93 113.70 115.29 3h8j s SER 223 Ca 0.54 1.99 0.03 0.00 0.48 0.00 0.00 55.95 58.99 3h8j s SER 223 Cb -0.50 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.07 3h8j s SER 223 CO 0.63 -2.14 -0.09 -0.32 0.98 0.00 0.00 173.24 172.30 3h8j s MET 224 N -4.55 0.91 0.18 4.02 1.75 -1.26 -5.11 119.30 115.25 3h8j s MET 224 Ca 0.65 -0.33 -0.32 0.00 -1.25 0.00 0.00 55.69 54.45 3h8j s MET 224 Cb -0.20 -0.86 -0.11 0.00 2.84 0.00 0.00 34.83 36.50 3h8j s MET 224 CO 0.51 0.15 1.63 0.15 -0.65 0.00 0.00 175.02 176.82 3h8j s LYS 225 N 0.04 4.18 0.47 4.11 -0.14 -1.26 -4.88 119.74 122.25 3h8j s LYS 225 Ca -0.01 2.46 0.18 0.00 -1.36 0.00 0.00 55.97 57.24 3h8j s LYS 225 Cb -0.07 -3.13 1.16 0.00 -1.68 0.00 0.00 37.83 34.12 3h8j s LYS 225 CO 0.00 -0.67 1.99 1.15 -0.76 0.00 0.00 175.35 177.06 3h8j h THR 226 N 3.94 0.84 -0.05 2.17 2.02 -2.00 -1.30 112.91 118.54 3h8j h THR 226 Ca -0.43 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 3h8j h THR 226 Cb 1.20 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3h8j h THR 226 CO 0.93 0.05 -0.23 0.77 0.37 0.00 0.00 175.52 177.41 3h8j h SER 227 N 0.26 0.07 -0.31 4.18 4.64 -1.99 0.82 113.55 121.23 3h8j h SER 227 Ca 0.26 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.50 3h8j h SER 227 Cb 0.69 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 3h8j h SER 227 CO -0.05 0.30 -0.08 0.40 -0.87 0.00 0.00 176.83 176.53 3h8j h ILE 228 N 0.07 1.28 -0.03 0.95 2.04 -1.62 0.01 117.51 120.22 3h8j h ILE 228 Ca 0.01 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 64.76 3h8j h ILE 228 Cb 0.44 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3h8j h ILE 228 CO 0.03 0.36 -0.08 0.58 0.00 0.00 0.00 178.15 179.05 3h8j h VAL 229 N 0.37 0.79 -0.77 1.67 2.07 -1.21 -1.20 116.25 117.97 3h8j h VAL 229 Ca 0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3h8j h VAL 229 Cb 0.58 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3h8j h VAL 229 CO 0.03 0.00 0.44 -0.33 0.02 0.00 0.00 177.57 177.74 3h8j h GLU 230 N -0.12 1.06 -0.43 1.57 5.08 -0.83 0.49 114.58 121.39 3h8j h GLU 230 Ca 0.04 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3h8j h GLU 230 Cb 0.18 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3h8j h GLU 230 CO -0.10 0.77 0.23 0.00 -1.00 0.00 0.00 179.01 178.91 3h8j h ALA 231 N 1.23 0.55 -0.01 3.43 0.00 -0.75 -1.81 119.26 121.91 3h8j h ALA 231 Ca 0.27 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 3h8j h ALA 231 Cb -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3h8j h ALA 231 CO -0.05 0.08 -0.84 0.82 0.00 0.00 0.00 179.25 179.27 3h8j h ILE 232 N 0.56 1.49 -0.58 0.00 2.04 -0.98 -1.96 117.51 118.09 3h8j h ILE 232 Ca 0.15 -2.56 0.01 0.00 1.00 0.00 0.00 64.86 63.46 3h8j h ILE 232 Cb 0.06 2.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 3h8j h ILE 232 CO -0.02 0.74 0.38 0.00 0.00 0.00 0.00 178.15 179.25 3h8j h ALA 233 N 1.02 0.73 0.00 1.87 0.00 -0.78 -2.49 119.26 119.61 3h8j h ALA 233 Ca -0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3h8j h ALA 233 Cb 1.45 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3h8j h ALA 233 CO 0.13 0.16 -0.51 -0.91 0.00 0.00 0.00 179.25 178.11 3h8j h ASN 234 N 0.77 0.00 -1.64 0.00 2.35 -1.21 -3.41 115.58 112.45 3h8j h ASN 234 Ca 0.21 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.82 3h8j h ASN 234 Cb -0.08 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 38.02 3h8j h ASN 234 CO -0.05 0.51 -0.49 -0.62 -1.65 0.00 0.00 177.43 175.12 3h8j s ASP 235 N -6.51 0.07 0.28 5.81 3.68 -0.75 -5.03 116.67 114.21 3h8j s ASP 235 Ca 0.01 -0.13 0.24 0.00 2.13 0.00 0.00 52.55 54.80 3h8j s ASP 235 Cb 0.10 1.26 1.02 0.00 -1.45 0.00 0.00 42.92 43.85 3h8j s ASP 235 CO 0.73 -0.33 1.72 0.54 0.13 0.00 0.00 175.17 177.96 3h8j n ARG 236 N 5.37 0.20 0.30 4.34 1.74 -0.95 -1.52 116.66 126.13 3h8j n ARG 236 Ca 0.00 0.45 0.18 0.00 -0.77 0.00 0.00 57.85 57.71 3h8j n ARG 236 Cb 0.50 -1.90 0.90 0.00 -1.02 0.00 0.00 32.46 30.94 3h8j n ARG 236 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3h8j h GLU 237 N 0.00 0.00 0.00 5.56 5.08 -1.94 -1.72 114.58 121.56 3h8j h GLU 237 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h8j h GLU 237 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3h8j h GLU 237 CO 0.00 0.04 0.00 1.04 -1.00 0.00 0.00 179.01 179.09 3h8j n GLN 238 N -3.27 0.14 -0.29 2.33 1.13 -0.57 -3.05 117.38 113.79 3h8j n GLN 238 Ca -0.02 0.16 -0.05 0.00 -1.94 0.00 0.00 57.00 55.15 3h8j n GLN 238 Cb 0.19 -1.50 0.09 0.00 0.11 0.00 0.00 30.24 29.13 3h8j n GLN 238 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h8j h ALA 239 N 2.73 1.11 0.00 -1.58 0.00 -1.51 0.86 119.26 120.87 3h8j h ALA 239 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3h8j h ALA 239 Cb 0.23 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3h8j h ALA 239 CO 0.00 0.65 0.00 1.63 0.00 0.00 0.00 179.25 181.53 3h8j n LYS 240 N -4.29 0.10 -0.11 0.00 5.02 -1.17 -2.61 118.16 115.09 3h8j n LYS 240 Ca 0.08 0.32 -0.17 0.00 -2.02 0.00 0.00 58.31 56.52 3h8j n LYS 240 Cb 0.16 -1.68 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 3h8j n LYS 240 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3h8j n VAL 241 N -1.85 1.24 0.96 -0.18 0.31 -0.43 -4.64 118.33 113.74 3h8j n VAL 241 Ca 0.03 -0.45 0.11 0.00 -0.01 0.00 0.00 64.34 64.02 3h8j n VAL 241 Cb 0.21 -1.36 -0.02 0.00 -0.91 0.00 0.00 33.84 31.76 3h8j n VAL 241 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3h8j n LEU 242 N -3.29 0.83 -4.66 7.52 4.77 0.16 -4.90 117.00 117.43 3h8j n LEU 242 Ca -0.40 -0.34 -0.31 0.00 -0.03 0.00 0.00 56.01 54.94 3h8j n LEU 242 Cb 0.89 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.82 3h8j n LEU 242 CO 0.18 0.20 -0.35 -0.76 -1.33 0.00 0.00 177.39 175.33 3h8j s LEU 243 N -3.07 3.37 0.94 2.23 1.43 -1.07 -5.08 118.68 117.43 3h8j s LEU 243 Ca 0.08 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 3h8j s LEU 243 Cb 0.16 -2.07 0.15 0.00 0.03 0.00 0.00 46.19 44.47 3h8j s LEU 243 CO 0.82 0.21 1.10 0.42 0.23 0.00 0.00 176.35 179.13 3h8j s THR 244 N -1.22 2.29 0.19 5.49 -4.23 -1.26 -4.74 115.64 112.16 3h8j s THR 244 Ca 0.23 0.10 -0.12 0.00 -1.18 0.00 0.00 61.69 60.72 3h8j s THR 244 Cb -0.11 -2.67 0.11 0.00 1.34 0.00 0.00 72.50 71.17 3h8j s THR 244 CO 0.15 -0.12 1.84 -0.08 -0.54 0.00 0.00 174.62 175.87 3h8j h GLU 245 N -1.65 0.76 -0.55 3.99 4.81 -1.96 0.22 114.58 120.20 3h8j h GLU 245 Ca -0.52 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.65 3h8j h GLU 245 Cb 1.31 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 3h8j h GLU 245 CO 0.58 0.51 0.28 1.03 -0.73 0.00 0.00 179.01 180.68 3h8j h SER 246 N 0.79 0.71 -0.19 1.04 0.87 -1.96 -0.94 113.55 113.87 3h8j h SER 246 Ca 0.25 -0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.60 3h8j h SER 246 Cb -0.00 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3h8j h SER 246 CO -0.09 0.63 -0.19 -0.33 -0.53 0.00 0.00 176.83 176.32 3h8j h GLU 247 N 0.75 0.62 -0.55 2.24 5.08 -1.63 -2.18 114.58 118.91 3h8j h GLU 247 Ca 0.19 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3h8j h GLU 247 Cb 0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3h8j h GLU 247 CO -0.03 0.77 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.74 3h8j h TYR 248 N 0.55 1.13 -0.21 4.33 3.20 -0.24 0.38 116.97 126.13 3h8j h TYR 248 Ca 0.09 -0.23 -0.09 0.00 3.14 0.00 0.00 58.73 61.64 3h8j h TYR 248 Cb 0.63 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 3h8j h TYR 248 CO 0.03 1.04 -0.26 -0.91 -1.64 0.00 0.00 178.16 176.42 3h8j h ASN 249 N 0.91 0.38 -0.07 -2.11 2.35 -0.98 -1.29 115.58 114.78 3h8j h ASN 249 Ca 0.15 -0.13 -0.16 0.00 -0.55 0.00 0.00 56.30 55.61 3h8j h ASN 249 Cb 0.65 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 3h8j h ASN 249 CO 0.05 0.64 -0.52 0.03 -1.65 0.00 0.00 177.43 175.98 3h8j h ARG 250 N 0.34 0.65 -0.34 0.81 2.47 -1.15 -2.72 114.38 114.44 3h8j h ARG 250 Ca 0.05 -0.39 0.06 0.00 -1.26 0.00 0.00 59.98 58.44 3h8j h ARG 250 Cb 0.64 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.94 3h8j h ARG 250 CO 0.05 1.01 -0.03 -0.92 0.56 0.00 0.00 179.97 180.64 3h8j h TYR 251 N 0.50 -0.07 -0.98 3.04 3.20 -0.50 -0.50 116.97 121.66 3h8j h TYR 251 Ca 0.02 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.97 3h8j h TYR 251 Cb 1.07 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 39.36 3h8j h TYR 251 CO 0.05 -0.09 0.63 0.87 -1.64 0.00 0.00 178.16 177.99 3h8j h LYS 252 N 0.06 1.14 -0.44 1.82 1.57 -1.14 -0.83 116.57 118.75 3h8j h LYS 252 Ca 0.16 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3h8j h LYS 252 Cb 0.24 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3h8j h LYS 252 CO -0.30 0.75 0.16 0.93 -0.57 0.00 0.00 179.45 180.43 3h8j h GLU 253 N 1.17 0.66 0.00 3.15 5.08 -1.09 -3.11 114.58 120.43 3h8j h GLU 253 Ca 0.42 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 3h8j h GLU 253 Cb 0.13 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3h8j h GLU 253 CO -0.16 0.62 -0.34 -0.91 -1.00 0.00 0.00 179.01 177.22 3h8j h ASN 254 N 0.56 0.00 -0.68 1.42 4.21 -0.41 -2.75 115.58 117.94 3h8j h ASN 254 Ca 0.14 0.00 0.07 0.00 1.21 0.00 0.00 56.30 57.72 3h8j h ASN 254 Cb 0.21 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.35 3h8j h ASN 254 CO -0.01 0.34 0.36 -0.07 -1.29 0.00 0.00 177.43 176.76 3h8j h LEU 255 N 0.00 0.52 -1.22 1.61 3.38 -1.10 -1.05 115.31 117.44 3h8j h LEU 255 Ca -0.00 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3h8j h LEU 255 Cb 0.87 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3h8j h LEU 255 CO 0.04 0.33 -0.33 0.58 0.09 0.00 0.00 178.44 179.14 3h8j h VAL 256 N 0.66 1.26 0.00 1.22 2.07 -1.55 -0.54 116.25 119.36 3h8j h VAL 256 Ca 0.31 -1.23 -0.17 0.00 0.82 0.00 0.00 66.70 66.44 3h8j h VAL 256 Cb 0.24 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3h8j h VAL 256 CO -0.21 0.36 -0.83 -0.07 0.02 0.00 0.00 177.57 176.84 3h8j h LEU 257 N 0.08 0.00 0.00 2.57 3.38 -1.36 -3.42 115.31 116.57 3h8j h LEU 257 Ca 0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 3h8j h LEU 257 Cb 0.64 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3h8j h LEU 257 CO 0.05 0.76 -1.57 -0.38 0.09 0.00 0.00 178.44 177.39 3h8j n ILE 258 N -3.26 0.57 -2.87 1.22 2.08 -0.46 -5.02 119.36 111.61 3h8j n ILE 258 Ca -0.00 -0.18 -0.42 0.00 0.56 0.00 0.00 62.75 62.71 3h8j n ILE 258 Cb 0.85 -1.25 -0.04 0.00 -0.75 0.00 0.00 39.64 38.45 3h8j n ILE 258 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3h8j s ASP 259 N -5.45 6.84 0.52 4.38 3.68 -0.22 -4.93 116.67 121.49 3h8j s ASP 259 Ca -0.14 1.04 0.23 0.00 2.13 0.00 0.00 52.55 55.81 3h8j s ASP 259 Cb 0.05 -2.45 1.34 0.00 -1.45 0.00 0.00 42.92 40.40 3h8j s ASP 259 CO 0.20 -0.55 2.00 -0.26 0.13 0.00 0.00 175.17 176.70 3h8j h PHE 260 N 7.70 0.07 0.00 -5.34 0.04 -1.94 0.39 116.94 117.86 3h8j h PHE 260 Ca -0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.55 3h8j h PHE 260 Cb 1.09 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.22 3h8j h PHE 260 CO 0.76 0.03 0.00 -0.25 -0.60 0.00 0.00 178.31 178.24 3h8j n ASP 261 N -4.41 0.22 -1.29 2.17 8.00 -1.26 -2.59 116.55 117.39 3h8j n ASP 261 Ca 0.09 0.54 0.09 0.00 0.71 0.00 0.00 54.79 56.22 3h8j n ASP 261 Cb 0.54 -0.59 0.30 0.00 -0.02 0.00 0.00 41.12 41.35 3h8j n ASP 261 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3h8j n TYR 262 N -1.72 1.15 -1.89 1.24 4.02 0.13 -4.91 117.16 115.16 3h8j n TYR 262 Ca 0.04 -0.60 -0.42 0.00 -0.01 0.00 0.00 57.90 56.91 3h8j n TYR 262 Cb 0.25 -0.17 -0.03 0.00 -0.02 0.00 0.00 39.34 39.37 3h8j n TYR 262 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3h8j s ILE 263 N -1.66 2.98 0.68 -0.72 1.01 -1.07 -4.72 121.20 117.71 3h8j s ILE 263 Ca 0.44 0.42 -0.17 0.00 0.00 0.00 0.00 60.65 61.34 3h8j s ILE 263 Cb 0.28 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.48 3h8j s ILE 263 CO 0.23 -0.00 1.15 -2.65 0.00 0.00 0.00 174.94 173.66 3h8j n PRO 264 N 5.70 0.83 -0.22 2.79 -0.02 -1.26 -4.71 135.00 138.11 3h8j n PRO 264 Ca 0.16 0.34 0.02 0.00 -2.02 0.00 0.00 63.50 62.00 3h8j n PRO 264 Cb 0.40 -2.39 0.14 0.00 -0.02 0.00 0.00 33.50 31.63 3h8j n PRO 264 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3h8j h ASP 265 N 0.17 0.09 -0.15 2.55 3.45 -1.97 -0.81 116.42 119.75 3h8j h ASP 265 Ca -0.49 0.11 -0.10 0.00 0.43 0.00 0.00 57.03 56.98 3h8j h ASP 265 Cb 1.34 0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 40.23 3h8j h ASP 265 CO 0.50 0.04 -0.23 -0.55 -1.57 0.00 0.00 179.24 177.43 3h8j h ASN 266 N 0.32 0.59 0.16 6.45 -1.07 -1.98 0.41 115.58 120.46 3h8j h ASN 266 Ca 0.35 -0.20 -0.01 0.00 0.07 0.00 0.00 56.30 56.51 3h8j h ASN 266 Cb 0.53 -0.16 0.00 0.00 -2.07 0.00 0.00 38.32 36.62 3h8j h ASN 266 CO -0.41 0.81 -0.08 0.40 0.07 0.00 0.00 177.43 178.23 3h8j h ILE 267 N 0.52 0.96 -0.79 6.14 1.08 -1.71 -1.37 117.51 122.34 3h8j h ILE 267 Ca 0.08 -0.69 0.00 0.00 -0.39 0.00 0.00 64.86 63.86 3h8j h ILE 267 Cb 0.68 1.37 -0.04 0.00 -3.07 0.00 0.00 36.82 35.76 3h8j h ILE 267 CO 0.05 0.16 0.50 0.00 -0.69 0.00 0.00 178.15 178.17 3h8j h ALA 268 N 0.20 1.00 -0.12 1.87 0.00 -1.09 -2.09 119.26 119.03 3h8j h ALA 268 Ca -0.02 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3h8j h ALA 268 Cb 0.43 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3h8j h ALA 268 CO 0.04 0.44 -0.46 0.66 0.00 0.00 0.00 179.25 179.93 3h8j h SER 269 N 1.07 0.33 -0.69 0.00 4.64 -0.93 -1.58 113.55 116.39 3h8j h SER 269 Ca 0.29 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 3h8j h SER 269 Cb -0.08 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 3h8j h SER 269 CO -0.06 0.75 0.34 0.78 -0.87 0.00 0.00 176.83 177.76 3h8j h ASN 270 N 0.25 0.92 -0.12 4.97 2.35 -0.88 0.12 115.58 123.20 3h8j h ASN 270 Ca 0.02 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3h8j h ASN 270 Cb 0.91 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 39.04 3h8j h ASN 270 CO 0.07 0.79 0.02 0.40 -1.65 0.00 0.00 177.43 177.06 3h8j h ILE 271 N 1.01 1.21 -0.40 2.81 2.04 -0.87 -1.48 117.51 121.83 3h8j h ILE 271 Ca 0.25 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 3h8j h ILE 271 Cb 0.11 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3h8j h ILE 271 CO -0.03 0.19 0.10 0.58 0.00 0.00 0.00 178.15 178.99 3h8j h VAL 272 N -0.03 1.23 -0.65 1.67 2.07 -1.11 -1.90 116.25 117.53 3h8j h VAL 272 Ca 0.04 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 3h8j h VAL 272 Cb 0.28 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3h8j h VAL 272 CO 0.00 0.27 0.24 0.78 0.02 0.00 0.00 177.57 178.88 3h8j h ASN 273 N 0.51 0.89 -0.56 0.57 -0.26 -0.98 -0.11 115.58 115.63 3h8j h ASN 273 Ca 0.13 -0.13 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 3h8j h ASN 273 Cb 0.31 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.32 3h8j h ASN 273 CO 0.00 0.81 0.22 0.22 -1.06 0.00 0.00 177.43 177.62 3h8j h TYR 274 N 0.94 0.87 -0.06 1.19 5.03 -1.08 -1.61 116.97 122.25 3h8j h TYR 274 Ca 0.22 -0.07 -0.00 0.00 2.58 0.00 0.00 58.73 61.46 3h8j h TYR 274 Cb 0.21 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 38.23 3h8j h TYR 274 CO 0.02 0.71 0.03 -0.92 -1.32 0.00 0.00 178.16 176.67 3h8j h TYR 275 N 0.78 0.09 -0.58 -3.82 3.20 -0.87 -2.68 116.97 113.08 3h8j h TYR 275 Ca 0.19 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 3h8j h TYR 275 Cb 0.21 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 3h8j h TYR 275 CO 0.01 0.17 0.14 -0.91 -1.64 0.00 0.00 178.16 175.93 3h8j h ASN 276 N -0.02 0.84 -0.09 -2.11 2.35 -0.87 -2.67 115.58 113.01 3h8j h ASN 276 Ca 0.02 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3h8j h ASN 276 Cb 0.12 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3h8j h ASN 276 CO -0.00 0.82 0.00 -1.54 -1.65 0.00 0.00 177.43 175.06 3h8j n SER 277 N -4.26 1.74 -4.68 5.81 3.41 -0.62 -4.96 113.62 110.05 3h8j n SER 277 Ca 0.04 -1.63 -0.45 0.00 -0.26 0.00 0.00 58.87 56.57 3h8j n SER 277 Cb 0.24 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 3h8j n SER 277 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h8j n TYR 278 N 0.36 2.34 -2.97 7.33 4.19 -1.01 -4.92 117.16 122.48 3h8j n TYR 278 Ca 0.18 0.29 -0.44 0.00 3.31 0.00 0.00 57.90 61.24 3h8j n TYR 278 Cb 0.37 -2.54 -0.04 0.00 0.49 0.00 0.00 39.34 37.63 3h8j n TYR 278 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 3h8j s LYS 279 N 0.49 3.25 -0.04 2.98 1.02 -1.26 -5.02 119.74 121.16 3h8j s LYS 279 Ca 0.75 -1.31 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 3h8j s LYS 279 Cb -0.64 -4.45 -0.04 0.00 -0.52 0.00 0.00 37.83 32.18 3h8j s LYS 279 CO 0.41 -1.71 1.27 -1.17 -0.92 0.00 0.00 175.35 173.24 3h8j s LEU 280 N 3.11 4.29 0.30 3.17 2.96 -1.26 -4.98 118.68 126.27 3h8j s LEU 280 Ca 0.22 1.92 -0.29 0.00 -0.22 0.00 0.00 54.13 55.76 3h8j s LEU 280 Cb -0.15 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.88 3h8j s LEU 280 CO 0.03 -0.64 1.13 -2.84 -1.32 0.00 0.00 176.35 172.71 3h8j s PRO 281 N 2.32 4.53 0.51 0.98 0.02 -1.26 -5.01 135.00 137.09 3h8j s PRO 281 Ca 0.59 1.86 -0.23 0.00 0.02 0.00 0.00 61.00 63.23 3h8j s PRO 281 Cb -0.27 -3.10 -0.06 0.00 0.02 0.00 0.00 34.50 31.09 3h8j s PRO 281 CO 0.23 0.09 1.37 -1.25 -0.33 0.00 0.00 177.00 177.12 3h8j s PRO 282 N -1.62 3.34 0.32 5.54 0.04 -1.26 -4.56 135.00 136.80 3h8j s PRO 282 Ca 0.47 2.27 0.23 0.00 0.04 0.00 0.00 61.00 64.01 3h8j s PRO 282 Cb -0.33 -2.39 1.16 0.00 0.04 0.00 0.00 34.50 32.99 3h8j s PRO 282 CO 0.42 -1.04 1.69 0.54 0.04 0.00 0.00 177.00 178.65 3h8j n ARG 283 N -0.74 0.16 0.29 4.56 1.74 -1.26 -1.53 116.66 119.87 3h8j n ARG 283 Ca 0.09 0.60 0.16 0.00 -0.77 0.00 0.00 57.85 57.92 3h8j n ARG 283 Cb 0.44 -1.96 0.85 0.00 -1.02 0.00 0.00 32.46 30.78 3h8j n ARG 283 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3h8j h GLY 284 N 0.50 0.00 2.00 -0.13 0.00 -1.92 -2.54 103.07 100.98 3h8j h GLY 284 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h8j h GLY 284 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.04 3h8j h LYS 285 N 0.00 0.00 0.24 4.80 1.79 -1.51 -3.29 116.57 118.60 3h8j h LYS 285 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3h8j h LYS 285 Cb 0.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 3h8j h LYS 285 CO 0.01 0.00 -0.11 0.82 -1.08 0.00 0.00 179.45 179.08 3h8j h ILE 286 N 0.00 0.80 -0.06 1.86 2.04 -1.48 -1.61 117.51 119.07 3h8j h ILE 286 Ca 0.00 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.65 3h8j h ILE 286 Cb 0.68 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3h8j h ILE 286 CO 0.00 0.05 -0.05 0.22 0.00 0.00 0.00 178.15 178.37 3h8j h TYR 287 N -0.43 -0.12 -0.14 1.37 3.20 -1.75 -1.50 116.97 117.59 3h8j h TYR 287 Ca -0.03 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 3h8j h TYR 287 Cb 0.33 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3h8j h TYR 287 CO -0.03 -0.08 -0.09 0.66 -1.64 0.00 0.00 178.16 176.98 3h8j h SER 288 N -0.06 0.20 -0.19 -2.11 4.64 -1.67 -1.51 113.55 112.85 3h8j h SER 288 Ca 0.04 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3h8j h SER 288 Cb 0.12 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3h8j h SER 288 CO -0.10 0.32 0.02 0.22 -0.87 0.00 0.00 176.83 176.41 3h8j h TYR 289 N 0.21 0.34 -0.69 4.77 3.20 -0.87 -0.81 116.97 123.12 3h8j h TYR 289 Ca 0.04 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3h8j h TYR 289 Cb 0.29 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 3h8j h TYR 289 CO 0.00 0.50 0.36 0.74 -1.64 0.00 0.00 178.16 178.12 3h8j h PHE 290 N 0.09 0.96 -0.01 -3.82 -1.00 -0.76 0.08 116.94 112.48 3h8j h PHE 290 Ca 0.05 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 3h8j h PHE 290 Cb 0.35 -0.30 -0.00 0.00 3.61 0.00 0.00 35.95 39.61 3h8j h PHE 290 CO 0.03 0.69 0.01 0.28 -1.61 0.00 0.00 178.31 177.70 3h8j h VAL 291 N 0.95 1.13 -0.98 -0.55 2.07 -1.28 0.66 116.25 118.26 3h8j h VAL 291 Ca 0.24 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.44 3h8j h VAL 291 Cb 0.06 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 3h8j h VAL 291 CO -0.04 0.10 0.63 0.50 0.02 0.00 0.00 177.57 178.78 3h8j h LYS 292 N -0.14 1.12 -0.02 1.57 3.64 -0.79 -1.14 116.57 120.82 3h8j h LYS 292 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3h8j h LYS 292 Cb 0.16 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3h8j h LYS 292 CO -0.00 0.74 0.00 0.00 -2.27 0.00 0.00 179.45 177.92 3h8j n ALA 293 N -2.36 2.63 -1.90 5.00 0.00 -0.01 -4.90 120.51 118.95 3h8j n ALA 293 Ca 0.15 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 3h8j n ALA 293 Cb 0.17 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 3h8j n ALA 293 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h8j n GLY 294 N 1.06 0.43 2.91 0.00 0.00 -0.43 -4.92 105.19 104.23 3h8j n GLY 294 Ca 0.21 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 3h8j n GLY 294 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h8j n LEU 295 N -1.67 6.53 0.26 0.99 4.77 0.15 -4.78 117.00 123.26 3h8j n LEU 295 Ca -0.14 -4.48 0.16 0.00 -0.03 0.00 0.00 56.01 51.52 3h8j n LEU 295 Cb 0.54 -1.55 0.62 0.00 -2.33 0.00 0.00 43.42 40.70 3h8j n LEU 295 CO 0.18 1.21 0.95 0.77 -1.33 0.00 0.00 177.39 179.17 3h8j h SER 296 N 5.99 0.00 1.29 -1.43 4.64 -1.92 -2.10 113.55 120.02 3h8j h SER 296 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3h8j h SER 296 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3h8j h SER 296 CO 1.66 0.05 0.00 0.11 -0.87 0.00 0.00 176.83 177.77 3h8j h LYS 297 N 0.00 0.00 0.00 4.77 1.57 -1.96 -3.30 116.57 117.65 3h8j h LYS 297 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h8j h LYS 297 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3h8j h LYS 297 CO 0.01 0.00 -1.49 1.28 -0.57 0.00 0.00 179.45 178.68 3h8j n LEU 298 N -2.32 0.27 0.00 2.94 4.77 -0.80 -4.14 117.00 117.71 3h8j n LEU 298 Ca 0.04 -0.16 0.04 0.00 -0.03 0.00 0.00 56.01 55.90 3h8j n LEU 298 Cb 0.38 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.66 3h8j n LEU 298 CO 0.28 0.07 0.62 0.35 -1.33 0.00 0.00 177.39 177.37 3h8j n THR 299 N -1.89 1.29 0.14 -5.08 -2.24 -1.15 -0.58 114.28 104.77 3h8j n THR 299 Ca -0.01 0.32 0.10 0.00 -2.27 0.00 0.00 64.05 62.20 3h8j n THR 299 Cb 0.40 -1.18 0.05 0.00 -2.10 0.00 0.00 70.33 67.50 3h8j n THR 299 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3h8j h ASN 300 N 0.00 0.00 -0.06 3.42 2.35 -1.77 -3.38 115.58 116.13 3h8j h ASN 300 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3h8j h ASN 300 Cb 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 3h8j h ASN 300 CO 0.00 0.06 -0.31 -1.20 -1.65 0.00 0.00 177.43 174.33 3h8j n SER 301 N -2.85 2.04 -0.32 5.81 7.64 0.25 -4.75 113.62 121.44 3h8j n SER 301 Ca 0.01 -3.68 0.19 0.00 1.01 0.00 0.00 58.87 56.40 3h8j n SER 301 Cb 0.57 -0.52 0.45 0.00 -1.01 0.00 0.00 64.21 63.70 3h8j n SER 301 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3h8j h ILE 302 N 0.82 0.59 0.00 0.44 1.08 -1.75 0.83 117.51 119.51 3h8j h ILE 302 Ca 0.03 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 3h8j h ILE 302 Cb 1.11 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 3h8j h ILE 302 CO 0.06 0.09 0.00 -0.46 -0.69 0.00 0.00 178.15 177.16 3h8j n ASN 303 N -4.68 0.57 -0.69 1.72 6.94 -1.26 -2.40 115.26 115.46 3h8j n ASN 303 Ca 0.24 0.66 0.12 0.00 -0.02 0.00 0.00 54.58 55.58 3h8j n ASN 303 Cb 0.76 -0.77 0.36 0.00 -2.36 0.00 0.00 39.78 37.77 3h8j n ASN 303 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3h8j n GLU 304 N -2.15 1.92 0.00 -3.83 1.02 0.28 -5.16 120.64 112.73 3h8j n GLU 304 Ca 0.02 -1.37 0.06 0.00 -0.02 0.00 0.00 57.16 55.85 3h8j n GLU 304 Cb 0.19 -1.45 0.05 0.00 -0.02 0.00 0.00 31.44 30.21 3h8j n GLU 304 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50