#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9t h ALA 2 N 0.00 -0.24 -0.44 2.61 0.00 -2.03 0.22 119.26 119.37 2c9t h ALA 2 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2c9t h ALA 2 Cb 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2c9t h ALA 2 CO 0.00 -0.66 0.16 -0.91 0.00 0.00 0.00 179.25 177.84 2c9t h ASN 3 N -0.28 0.63 -0.80 0.00 2.35 -1.99 -1.47 115.58 114.02 2c9t h ASN 3 Ca 0.01 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.55 2c9t h ASN 3 Cb 0.27 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 2c9t h ASN 3 CO -0.04 0.65 0.43 0.25 -1.65 0.00 0.00 177.43 177.06 2c9t h LEU 4 N 0.57 1.01 -0.58 1.61 5.85 -1.82 -0.95 115.31 121.00 2c9t h LEU 4 Ca 0.14 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2c9t h LEU 4 Cb 0.23 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2c9t h LEU 4 CO -0.01 0.83 0.24 0.24 -0.34 0.00 0.00 178.44 179.40 2c9t h MET 5 N 1.12 0.86 -0.31 1.25 2.86 -0.36 -1.28 114.93 119.06 2c9t h MET 5 Ca 0.28 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.80 2c9t h MET 5 Cb 0.05 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2c9t h MET 5 CO -0.04 0.74 0.12 0.00 1.06 0.00 0.00 176.91 178.78 2c9t h ARG 6 N 0.80 0.26 -0.65 1.72 3.08 -1.00 -1.74 114.38 116.85 2c9t h ARG 6 Ca 0.19 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.24 2c9t h ARG 6 Cb 0.19 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2c9t h ARG 6 CO -0.02 0.17 0.43 1.25 -1.07 0.00 0.00 179.97 180.73 2c9t h LEU 7 N 0.26 0.73 -0.30 3.04 5.85 -0.90 -1.93 115.31 122.06 2c9t h LEU 7 Ca 0.14 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2c9t h LEU 7 Cb 0.09 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2c9t h LEU 7 CO -0.13 0.52 -0.01 0.11 -0.34 0.00 0.00 178.44 178.59 2c9t h LYS 8 N 0.86 0.54 -0.63 1.25 1.57 -1.05 -0.73 116.57 118.38 2c9t h LYS 8 Ca 0.25 -0.18 0.11 0.00 -1.87 0.00 0.00 60.65 58.96 2c9t h LYS 8 Cb -0.07 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.11 2c9t h LYS 8 CO -0.07 0.69 0.18 1.03 -0.57 0.00 0.00 179.45 180.72 2c9t h SER 9 N 0.32 0.10 -0.15 0.86 0.87 -1.23 0.18 113.55 114.50 2c9t h SER 9 Ca 0.08 0.10 -0.17 0.00 -1.23 0.00 0.00 61.79 60.58 2c9t h SER 9 Cb 0.46 0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2c9t h SER 9 CO 0.02 0.05 -0.56 0.44 -0.53 0.00 0.00 176.83 176.25 2c9t h ASP 10 N 0.33 0.75 0.02 6.23 3.32 -1.11 0.49 116.42 126.44 2c9t h ASP 10 Ca 0.33 -0.61 -0.16 0.00 0.02 0.00 0.00 57.03 56.61 2c9t h ASP 10 Cb 0.48 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2c9t h ASP 10 CO -0.38 1.24 -0.53 -0.07 -1.72 0.00 0.00 179.24 177.78 2c9t h LEU 11 N 0.31 0.61 0.00 1.55 3.38 -0.93 -3.35 115.31 116.88 2c9t h LEU 11 Ca -0.03 -0.32 -0.17 0.00 0.09 0.00 0.00 57.88 57.45 2c9t h LEU 11 Cb 1.19 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 2c9t h LEU 11 CO 0.12 1.02 -1.69 0.49 0.09 0.00 0.00 178.44 178.47 2c9t n PHE 12 N -3.97 0.00 1.05 1.13 3.72 0.60 -4.70 117.46 115.29 2c9t n PHE 12 Ca -0.03 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.48 2c9t n PHE 12 Cb 0.59 -0.49 0.06 0.00 -0.94 0.00 0.00 39.48 38.71 2c9t n PHE 12 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2c9t n ASN 13 N -2.34 1.77 -0.08 4.37 4.13 0.16 -4.47 115.26 118.82 2c9t n ASN 13 Ca -0.15 -1.36 -0.22 0.00 1.68 0.00 0.00 54.58 54.53 2c9t n ASN 13 Cb 0.79 0.44 -0.12 0.00 -1.54 0.00 0.00 39.78 39.35 2c9t n ASN 13 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 2c9t h ARG 14 N 2.05 0.06 -6.22 3.52 3.08 -1.68 -3.49 114.38 111.70 2c9t h ARG 14 Ca 0.00 -0.11 -0.48 0.00 0.07 0.00 0.00 59.98 59.46 2c9t h ARG 14 Cb 0.69 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2c9t h ARG 14 CO 0.00 1.05 -0.37 -1.12 -1.07 0.00 0.00 179.97 178.46 2c9t s SER 15 N -6.88 5.20 0.83 7.04 0.01 -1.26 -5.11 113.70 113.53 2c9t s SER 15 Ca -0.27 -0.64 -0.12 0.00 1.31 0.00 0.00 55.95 56.23 2c9t s SER 15 Cb 0.06 -0.66 0.09 0.00 0.21 0.00 0.00 66.02 65.71 2c9t s SER 15 CO 0.64 -0.62 1.10 -2.84 0.41 0.00 0.00 173.24 171.93 2c9t s PRO 16 N -4.14 1.81 0.66 12.44 0.02 -1.26 -4.94 135.00 139.59 2c9t s PRO 16 Ca 0.48 0.65 -0.15 0.00 0.02 0.00 0.00 61.00 62.00 2c9t s PRO 16 Cb -0.05 -1.89 -0.00 0.00 0.02 0.00 0.00 34.50 32.58 2c9t s PRO 16 CO 0.28 -1.81 1.10 1.41 -0.33 0.00 0.00 177.00 177.65 2c9t s MET 17 N -5.12 2.86 -0.13 5.54 1.75 -1.26 -4.92 119.30 118.03 2c9t s MET 17 Ca 0.62 1.32 -0.37 0.00 -1.25 0.00 0.00 55.69 56.01 2c9t s MET 17 Cb -0.15 -1.96 -0.14 0.00 2.84 0.00 0.00 34.83 35.42 2c9t s MET 17 CO 0.55 -1.19 1.78 0.98 -0.65 0.00 0.00 175.02 176.48 2c9t n TYR 18 N -2.46 2.18 1.58 4.11 9.36 -1.26 -4.85 117.16 125.81 2c9t n TYR 18 Ca 0.10 0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.57 2c9t n TYR 18 Cb 0.52 -2.56 0.00 0.00 -0.63 0.00 0.00 39.34 36.67 2c9t n TYR 18 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2c9t n PRO 19 N 5.70 0.99 0.00 2.98 -0.04 -1.26 -4.80 135.00 138.57 2c9t n PRO 19 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2c9t n PRO 19 Cb 0.23 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2c9t n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c9t n GLY 20 N 0.30 -0.86 3.87 0.55 0.00 -1.26 -5.00 105.19 102.79 2c9t n GLY 20 Ca 0.00 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 2c9t n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2c9t s PRO 21 N -1.98 3.52 0.32 1.61 0.04 -1.26 -5.06 135.00 132.18 2c9t s PRO 21 Ca 0.00 0.69 0.03 0.00 0.04 0.00 0.00 61.00 61.76 2c9t s PRO 21 Cb 0.00 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2c9t s PRO 21 CO 0.00 -0.60 0.15 0.95 0.04 0.00 0.00 177.00 177.54 2c9t s THR 22 N -3.17 0.42 0.47 1.26 -4.23 -0.92 -4.98 115.64 104.48 2c9t s THR 22 Ca 0.55 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.26 2c9t s THR 22 Cb -0.11 -2.52 0.24 0.00 1.34 0.00 0.00 72.50 71.46 2c9t s THR 22 CO 0.53 0.00 2.07 0.07 -0.54 0.00 0.00 174.62 176.75 2c9t h LYS 23 N 2.16 0.00 0.00 3.99 2.10 -1.91 -1.37 116.57 121.55 2c9t h LYS 23 Ca -0.34 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.22 2c9t h LYS 23 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 2c9t h LYS 23 CO 0.54 0.12 -0.60 -0.44 -2.00 0.00 0.00 179.45 177.07 2c9t h ASP 24 N 0.00 0.00 -2.06 7.07 3.32 -1.96 -3.38 116.42 119.41 2c9t h ASP 24 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2c9t h ASP 24 Cb 0.25 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.40 2c9t h ASP 24 CO 0.02 0.39 -0.96 -0.67 -1.72 0.00 0.00 179.24 176.29 2c9t n ASP 25 N -3.11 1.29 -4.90 6.45 2.03 -0.89 -5.12 116.55 112.31 2c9t n ASP 25 Ca 0.00 -2.94 -0.28 0.00 0.52 0.00 0.00 54.79 52.09 2c9t n ASP 25 Cb 0.70 -0.64 0.05 0.00 -0.72 0.00 0.00 41.12 40.50 2c9t n ASP 25 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2c9t s PRO 26 N -1.67 2.76 0.02 -0.67 0.04 -0.57 -2.17 135.00 132.74 2c9t s PRO 26 Ca 0.37 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2c9t s PRO 26 Cb 0.18 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 2c9t s PRO 26 CO -0.08 -0.97 -0.04 -1.17 0.04 0.00 0.00 177.00 174.78 2c9t s LEU 27 N -5.23 2.22 -0.18 -3.56 2.96 -0.48 -4.95 118.68 109.45 2c9t s LEU 27 Ca 0.57 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.97 2c9t s LEU 27 Cb -0.11 0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.58 2c9t s LEU 27 CO 0.49 -0.24 0.01 -0.89 -1.32 0.00 0.00 176.35 174.39 2c9t s THR 28 N -1.28 4.22 -0.19 3.68 2.01 -1.26 -0.84 115.64 121.98 2c9t s THR 28 Ca -0.13 -0.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 2c9t s THR 28 Cb -0.09 -2.89 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 2c9t s THR 28 CO -0.01 0.46 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.67 2c9t s VAL 29 N 0.56 3.75 -0.20 3.82 1.01 0.82 -4.38 120.40 125.78 2c9t s VAL 29 Ca -0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 2c9t s VAL 29 Cb -0.14 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2c9t s VAL 29 CO 0.02 0.45 0.12 -0.89 0.00 0.00 0.00 175.10 174.80 2c9t s THR 30 N 0.88 5.24 0.03 3.92 2.01 0.13 -1.92 115.64 125.94 2c9t s THR 30 Ca -0.00 0.13 0.07 0.00 0.31 0.00 0.00 61.69 62.20 2c9t s THR 30 Cb -0.14 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 2c9t s THR 30 CO 0.02 0.44 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.45 2c9t s LEU 31 N 0.44 2.65 -0.01 4.42 1.43 0.26 -1.23 118.68 126.64 2c9t s LEU 31 Ca 0.07 -0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 2c9t s LEU 31 Cb -0.12 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.59 2c9t s LEU 31 CO -0.01 0.26 0.37 -0.83 0.23 0.00 0.00 176.35 176.38 2c9t s GLY 32 N -1.40 -0.22 -0.07 -3.19 0.00 -0.76 -4.26 107.32 97.42 2c9t s GLY 32 Ca 0.15 0.44 0.05 0.00 0.00 0.00 0.00 44.72 45.36 2c9t s GLY 32 CO 0.05 0.21 -0.24 -1.36 0.00 0.00 0.00 173.10 171.76 2c9t s PHE 33 N -1.49 2.50 -0.53 1.90 0.08 -1.26 0.02 117.98 119.20 2c9t s PHE 33 Ca -0.12 -0.81 -0.08 0.00 0.12 0.00 0.00 56.93 56.04 2c9t s PHE 33 Cb -0.04 -1.65 0.14 0.00 -0.57 0.00 0.00 43.02 40.90 2c9t s PHE 33 CO 0.04 -0.27 0.39 0.99 -0.10 0.00 0.00 175.22 176.26 2c9t s THR 34 N 0.01 4.13 -0.14 0.64 2.01 -0.34 -1.67 115.64 120.28 2c9t s THR 34 Ca -0.09 -2.12 -0.29 0.00 0.31 0.00 0.00 61.69 59.50 2c9t s THR 34 Cb -0.15 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 2c9t s THR 34 CO 0.05 -0.81 1.24 -0.22 -0.69 0.00 0.00 174.62 174.20 2c9t s LEU 35 N 0.93 4.20 -0.24 4.42 2.96 -0.93 -1.11 118.68 128.92 2c9t s LEU 35 Ca 0.09 1.71 0.03 0.00 -0.22 0.00 0.00 54.13 55.75 2c9t s LEU 35 Cb -0.23 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.75 2c9t s LEU 35 CO -0.03 -0.72 -0.20 0.00 -1.32 0.00 0.00 176.35 174.09 2c9t n GLN 36 N 6.31 0.64 -3.58 1.98 6.02 -0.29 -3.36 117.38 125.09 2c9t n GLN 36 Ca 0.13 0.13 -0.13 0.00 -0.01 0.00 0.00 57.00 57.12 2c9t n GLN 36 Cb 0.45 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.16 2c9t n GLN 36 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2c9t s ASP 37 N -6.31 -0.55 -0.40 1.08 2.15 -0.81 -0.35 116.67 111.49 2c9t s ASP 37 Ca -0.31 0.77 -0.15 0.00 0.43 0.00 0.00 52.55 53.29 2c9t s ASP 37 Cb 0.08 0.69 0.01 0.00 -0.30 0.00 0.00 42.92 43.40 2c9t s ASP 37 CO 0.59 -0.38 0.33 -0.63 -0.17 0.00 0.00 175.17 174.91 2c9t s ILE 38 N -0.64 5.21 -0.14 4.11 1.01 -1.26 -1.25 121.20 128.25 2c9t s ILE 38 Ca -0.04 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 59.98 2c9t s ILE 38 Cb -0.02 -3.92 -0.25 0.00 0.01 0.00 0.00 42.46 38.28 2c9t s ILE 38 CO 0.03 -0.29 0.43 0.58 0.00 0.00 0.00 174.94 175.69 2c9t h VAL 39 N 5.63 0.94 -3.28 2.92 2.07 -1.45 -3.41 116.25 119.66 2c9t h VAL 39 Ca -0.28 -2.33 -0.18 0.00 0.82 0.00 0.00 66.70 64.74 2c9t h VAL 39 Cb 1.12 2.56 -0.26 0.00 -1.52 0.00 0.00 31.29 33.19 2c9t h VAL 39 CO 0.73 0.64 -0.49 -0.75 0.02 0.00 0.00 177.57 177.72 2c9t s LYS 40 N -2.46 0.23 -0.05 1.57 2.20 -1.21 -4.92 119.74 115.11 2c9t s LYS 40 Ca -0.23 0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.67 2c9t s LYS 40 Cb 0.05 0.11 -0.00 0.00 -1.51 0.00 0.00 37.83 36.48 2c9t s LYS 40 CO 0.72 -0.03 -0.19 0.08 -0.36 0.00 0.00 175.35 175.57 2c9t s VAL 41 N 0.05 1.58 -0.31 4.02 1.01 -1.26 -0.91 120.40 124.58 2c9t s VAL 41 Ca -0.01 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2c9t s VAL 41 Cb -0.02 -1.36 0.09 0.00 0.00 0.00 0.00 36.38 35.10 2c9t s VAL 41 CO 0.00 0.45 0.05 -0.62 0.00 0.00 0.00 175.10 174.99 2c9t s ASP 42 N 0.07 4.31 0.40 3.32 -1.08 0.11 -4.98 116.67 118.81 2c9t s ASP 42 Ca -0.06 -1.78 0.28 0.00 -0.52 0.00 0.00 52.55 50.47 2c9t s ASP 42 Cb -0.13 -1.23 1.04 0.00 -1.46 0.00 0.00 42.92 41.14 2c9t s ASP 42 CO 0.03 -0.37 1.82 0.77 0.52 0.00 0.00 175.17 177.94 2c9t h SER 43 N 7.87 0.00 1.94 -0.34 4.64 -1.94 -1.45 113.55 124.27 2c9t h SER 43 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2c9t h SER 43 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2c9t h SER 43 CO 0.48 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.21 2c9t h SER 44 N 0.00 0.00 0.00 4.97 4.64 -1.96 -3.37 113.55 117.83 2c9t h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c9t h SER 44 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2c9t h SER 44 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 2c9t n THR 45 N -3.09 0.00 -3.79 2.95 -2.24 -1.17 -5.03 114.28 101.91 2c9t n THR 45 Ca 0.04 -0.42 -0.23 0.00 -2.27 0.00 0.00 64.05 61.17 2c9t n THR 45 Cb 0.52 1.12 0.01 0.00 -2.10 0.00 0.00 70.33 69.88 2c9t n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2c9t n ASN 46 N -0.22 -0.84 -4.32 3.42 3.02 -0.56 -4.93 115.26 110.83 2c9t n ASN 46 Ca 0.00 -0.89 -0.32 0.00 -0.03 0.00 0.00 54.58 53.34 2c9t n ASN 46 Cb 0.03 -3.69 -0.15 0.00 -0.61 0.00 0.00 39.78 35.36 2c9t n ASN 46 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2c9t s GLU 47 N -6.18 2.83 0.07 3.52 2.02 -1.14 -0.85 118.70 118.96 2c9t s GLU 47 Ca 0.00 -0.81 0.09 0.00 0.02 0.00 0.00 54.97 54.27 2c9t s GLU 47 Cb -0.00 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.87 2c9t s GLU 47 CO 0.84 0.35 -0.25 0.08 0.02 0.00 0.00 175.26 176.30 2c9t s VAL 48 N -0.05 2.05 -0.25 2.63 1.01 -0.65 -0.72 120.40 124.43 2c9t s VAL 48 Ca -0.05 -1.47 -0.03 0.00 0.00 0.00 0.00 61.98 60.43 2c9t s VAL 48 Cb -0.14 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.47 2c9t s VAL 48 CO 0.05 0.23 -0.04 -1.81 0.00 0.00 0.00 175.10 173.52 2c9t s ASP 49 N -1.50 4.41 0.08 3.32 1.11 -0.08 -1.16 116.67 122.84 2c9t s ASP 49 Ca 0.11 -0.75 0.02 0.00 0.18 0.00 0.00 52.55 52.11 2c9t s ASP 49 Cb -0.10 -1.71 -0.04 0.00 1.07 0.00 0.00 42.92 42.15 2c9t s ASP 49 CO 0.03 -0.12 0.13 -0.76 1.18 0.00 0.00 175.17 175.63 2c9t s LEU 50 N 1.38 3.99 -0.15 1.23 1.43 0.37 -1.05 118.68 125.88 2c9t s LEU 50 Ca 0.02 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 2c9t s LEU 50 Cb -0.16 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 43.42 2c9t s LEU 50 CO -0.03 0.17 -0.21 -0.69 0.23 0.00 0.00 176.35 175.81 2c9t s VAL 51 N -1.44 2.08 0.14 -1.59 1.01 -0.38 -1.07 120.40 119.14 2c9t s VAL 51 Ca 0.31 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 2c9t s VAL 51 Cb -0.12 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 2c9t s VAL 51 CO 0.24 0.55 0.23 -0.72 0.00 0.00 0.00 175.10 175.40 2c9t s TYR 52 N 0.93 0.43 -0.21 5.22 -0.85 -0.65 -1.14 117.35 121.08 2c9t s TYR 52 Ca -0.04 -0.81 -0.09 0.00 -0.52 0.00 0.00 57.07 55.61 2c9t s TYR 52 Cb -0.15 -0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.02 2c9t s TYR 52 CO -0.05 -0.65 0.11 0.71 -1.52 0.00 0.00 175.55 174.15 2c9t s TYR 53 N -3.96 3.31 -0.45 -3.49 2.02 -0.27 -0.99 117.35 113.53 2c9t s TYR 53 Ca 0.16 0.17 -0.11 0.00 -0.37 0.00 0.00 57.07 56.92 2c9t s TYR 53 Cb 0.04 -2.17 0.09 0.00 -0.40 0.00 0.00 41.96 39.52 2c9t s TYR 53 CO -0.02 0.14 0.32 -2.00 -1.57 0.00 0.00 175.55 172.42 2c9t s GLU 54 N 0.66 2.69 -0.03 -0.62 2.12 -0.75 -1.20 118.70 121.56 2c9t s GLU 54 Ca 0.06 -1.50 -0.30 0.00 0.36 0.00 0.00 54.97 53.59 2c9t s GLU 54 Cb -0.12 -3.91 -0.04 0.00 0.26 0.00 0.00 34.13 30.31 2c9t s GLU 54 CO 0.01 -1.03 1.31 -0.65 -0.54 0.00 0.00 175.26 174.36 2c9t s GLN 55 N 1.47 4.31 -0.07 4.30 -0.21 0.10 -3.40 119.66 126.16 2c9t s GLN 55 Ca 0.04 1.83 0.03 0.00 0.02 0.00 0.00 55.36 57.28 2c9t s GLN 55 Cb -0.24 -3.59 0.01 0.00 1.00 0.00 0.00 33.01 30.19 2c9t s GLN 55 CO 0.03 -0.53 -0.17 -0.65 -2.12 0.00 0.00 175.29 171.84 2c9t s GLN 56 N 2.41 2.10 -0.03 2.91 -0.21 0.28 -1.82 119.66 125.30 2c9t s GLN 56 Ca 0.60 -0.60 -0.01 0.00 0.02 0.00 0.00 55.36 55.37 2c9t s GLN 56 Cb -0.28 -1.70 0.03 0.00 1.00 0.00 0.00 33.01 32.06 2c9t s GLN 56 CO 0.24 0.13 0.06 0.50 -2.12 0.00 0.00 175.29 174.10 2c9t s ARG 57 N 0.40 -0.00 0.35 2.91 6.06 -0.36 -0.70 118.95 127.61 2c9t s ARG 57 Ca -0.13 0.24 0.01 0.00 -2.50 0.00 0.00 55.73 53.35 2c9t s ARG 57 Cb -0.15 -0.23 -0.00 0.00 0.06 0.00 0.00 34.95 34.63 2c9t s ARG 57 CO 0.05 -0.17 0.44 -2.67 -2.50 0.00 0.00 175.30 170.45 2c9t n TRP 58 N 4.19 -1.28 -3.83 5.12 2.14 -0.66 0.21 117.44 123.34 2c9t n TRP 58 Ca -0.27 -2.53 -0.13 0.00 2.07 0.00 0.00 57.50 56.64 2c9t n TRP 58 Cb 0.51 0.48 -0.14 0.00 -0.81 0.00 0.00 31.31 31.35 2c9t n TRP 58 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 2c9t s LYS 59 N -2.98 0.08 -0.06 -2.67 2.20 -1.26 -0.05 119.74 115.00 2c9t s LYS 59 Ca 0.33 0.15 0.04 0.00 -0.36 0.00 0.00 55.97 56.12 2c9t s LYS 59 Cb -0.00 -0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 2c9t s LYS 59 CO 0.23 -0.04 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.50 2c9t s LEU 60 N 0.25 1.90 0.39 5.43 1.43 -0.00 -4.92 118.68 123.15 2c9t s LEU 60 Ca -0.02 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 2c9t s LEU 60 Cb -0.03 -1.05 0.77 0.00 0.03 0.00 0.00 46.19 45.92 2c9t s LEU 60 CO -0.01 0.14 2.04 0.78 0.23 0.00 0.00 176.35 179.53 2c9t h ASN 61 N 6.47 0.56 0.28 2.29 2.35 -1.87 -2.36 115.58 123.30 2c9t h ASN 61 Ca -0.30 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 2c9t h ASN 61 Cb 1.19 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2c9t h ASN 61 CO 0.48 0.41 0.00 -1.54 -1.65 0.00 0.00 177.43 175.13 2c9t n SER 62 N -4.46 0.00 -0.57 5.81 3.41 -1.26 -2.32 113.62 114.24 2c9t n SER 62 Ca 0.04 0.48 0.05 0.00 -0.26 0.00 0.00 58.87 59.18 2c9t n SER 62 Cb 0.06 -0.49 0.13 0.00 -0.26 0.00 0.00 64.21 63.65 2c9t n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2c9t n LEU 63 N -1.49 2.77 -4.80 1.04 4.77 -0.89 -4.98 117.00 113.43 2c9t n LEU 63 Ca 0.02 -1.93 -0.35 0.00 -0.03 0.00 0.00 56.01 53.72 2c9t n LEU 63 Cb 0.09 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2c9t n LEU 63 CO 0.08 0.69 0.71 -0.04 -1.33 0.00 0.00 177.39 177.49 2c9t s MET 64 N -0.99 3.98 0.15 3.23 -1.94 -0.98 -3.72 119.30 119.03 2c9t s MET 64 Ca 0.20 1.37 -0.09 0.00 -1.71 0.00 0.00 55.69 55.47 2c9t s MET 64 Cb 0.11 -2.25 -0.01 0.00 2.01 0.00 0.00 34.83 34.69 2c9t s MET 64 CO 0.14 -0.28 0.26 1.67 -0.01 0.00 0.00 175.02 176.80 2c9t s TRP 65 N -1.91 0.36 -0.32 -0.03 -2.14 -0.20 -4.91 118.94 109.79 2c9t s TRP 65 Ca 0.64 -0.74 -0.20 0.00 2.66 0.00 0.00 56.10 58.45 2c9t s TRP 65 Cb -0.17 -0.07 -0.01 0.00 -3.10 0.00 0.00 33.47 30.12 2c9t s TRP 65 CO 0.21 -0.67 0.63 0.34 -2.66 0.00 0.00 176.95 174.80 2c9t s ASP 66 N -2.95 6.47 0.46 -2.66 -1.08 -1.26 -4.66 116.67 111.00 2c9t s ASP 66 Ca 0.15 0.34 0.18 0.00 -0.52 0.00 0.00 52.55 52.70 2c9t s ASP 66 Cb 0.04 -2.33 1.16 0.00 -1.46 0.00 0.00 42.92 40.32 2c9t s ASP 66 CO -0.02 -0.52 1.96 -0.65 0.52 0.00 0.00 175.17 176.45 2c9t h PRO 67 N 8.28 0.27 0.00 4.34 0.11 -1.94 -2.20 132.00 140.87 2c9t h PRO 67 Ca -0.27 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 2c9t h PRO 67 Cb 1.11 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2c9t h PRO 67 CO 0.81 0.18 -0.00 -0.91 -0.21 0.00 0.00 178.00 177.87 2c9t h ASN 68 N 0.28 0.00 0.45 -2.05 2.35 -1.93 0.20 115.58 114.89 2c9t h ASN 68 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2c9t h ASN 68 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 2c9t h ASN 68 CO -0.07 0.00 -0.07 -0.62 -1.65 0.00 0.00 177.43 175.02 2c9t n GLU 69 N -4.39 0.57 -2.68 0.81 1.02 -0.83 -4.17 120.64 110.96 2c9t n GLU 69 Ca -0.03 -0.12 -0.08 0.00 -0.02 0.00 0.00 57.16 56.91 2c9t n GLU 69 Cb 0.09 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.05 2c9t n GLU 69 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2c9t n TYR 70 N -1.11 1.22 -3.88 -0.32 4.01 -0.54 -4.99 117.16 111.54 2c9t n TYR 70 Ca 0.14 -2.70 -0.29 0.00 -0.16 0.00 0.00 57.90 54.90 2c9t n TYR 70 Cb 0.26 -0.35 0.03 0.00 -0.31 0.00 0.00 39.34 38.96 2c9t n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c9t n GLY 71 N -0.15 -0.46 3.65 2.72 0.00 -1.17 -1.66 105.19 108.13 2c9t n GLY 71 Ca 0.09 0.18 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 2c9t n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2c9t n ASN 72 N -2.88 -3.36 -4.68 1.61 5.03 0.60 -4.96 115.26 106.62 2c9t n ASN 72 Ca -0.02 -0.58 -0.42 0.00 0.87 0.00 0.00 54.58 54.42 2c9t n ASN 72 Cb 0.55 -2.78 -0.03 0.00 -1.02 0.00 0.00 39.78 36.50 2c9t n ASN 72 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2c9t s ILE 73 N -3.00 3.72 -0.16 2.41 1.01 -0.66 -4.91 121.20 119.60 2c9t s ILE 73 Ca 0.51 1.06 0.17 0.00 0.00 0.00 0.00 60.65 62.39 2c9t s ILE 73 Cb -0.28 -3.68 -0.25 0.00 0.01 0.00 0.00 42.46 38.26 2c9t s ILE 73 CO 0.63 -0.02 0.43 0.35 0.00 0.00 0.00 174.94 176.33 2c9t n THR 74 N 4.84 0.00 -3.54 2.92 -2.24 -1.26 -4.35 114.28 110.65 2c9t n THR 74 Ca 0.14 -0.34 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 2c9t n THR 74 Cb 0.43 0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 2c9t n THR 74 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2c9t s ASP 75 N -3.69 -0.39 0.25 3.42 -4.77 -1.26 -1.30 116.67 108.93 2c9t s ASP 75 Ca -0.04 0.24 -0.15 0.00 -3.30 0.00 0.00 52.55 49.30 2c9t s ASP 75 Cb 0.11 0.36 0.00 0.00 -1.09 0.00 0.00 42.92 42.30 2c9t s ASP 75 CO 0.70 -0.49 0.53 0.72 0.70 0.00 0.00 175.17 177.34 2c9t s PHE 76 N -2.02 0.18 -0.07 2.11 -0.12 -0.04 -4.98 117.98 113.03 2c9t s PHE 76 Ca 0.01 -0.57 0.02 0.00 -0.05 0.00 0.00 56.93 56.34 2c9t s PHE 76 Cb -0.01 0.32 -0.02 0.00 -0.63 0.00 0.00 43.02 42.68 2c9t s PHE 76 CO -0.03 -1.03 -0.13 1.03 -0.05 0.00 0.00 175.22 175.01 2c9t s ARG 77 N -3.98 2.75 0.06 1.99 3.00 -1.26 -0.33 118.95 121.19 2c9t s ARG 77 Ca 0.18 -0.68 -0.16 0.00 0.00 0.00 0.00 55.73 55.07 2c9t s ARG 77 Cb -0.02 -2.46 0.03 0.00 0.00 0.00 0.00 34.95 32.50 2c9t s ARG 77 CO 0.07 0.52 0.37 -0.08 0.00 0.00 0.00 175.30 176.18 2c9t s THR 78 N -0.45 0.07 0.21 0.02 -1.32 -0.38 -5.00 115.64 108.78 2c9t s THR 78 Ca 0.06 -0.56 -0.32 0.00 -1.21 0.00 0.00 61.69 59.65 2c9t s THR 78 Cb -0.12 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.72 2c9t s THR 78 CO 0.02 -0.31 1.24 -0.24 -2.21 0.00 0.00 174.62 173.12 2c9t n SER 79 N 0.36 1.85 0.25 8.08 2.88 -1.26 -0.80 113.62 124.98 2c9t n SER 79 Ca -0.18 1.14 0.18 0.00 -1.33 0.00 0.00 58.87 58.68 2c9t n SER 79 Cb 0.61 -1.30 0.86 0.00 -0.75 0.00 0.00 64.21 63.63 2c9t n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2c9t h ALA 80 N 3.57 1.58 0.00 -1.46 0.00 -0.71 -0.97 119.26 121.26 2c9t h ALA 80 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2c9t h ALA 80 Cb 1.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2c9t h ALA 80 CO 0.71 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.62 2c9t h ALA 81 N 1.58 1.00 0.00 0.00 0.00 -1.89 -3.05 119.26 116.90 2c9t h ALA 81 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2c9t h ALA 81 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2c9t h ALA 81 CO -0.00 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 178.81 2c9t h ASP 82 N 0.00 0.00 -3.19 0.00 3.32 -1.53 -3.46 116.42 111.56 2c9t h ASP 82 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2c9t h ASP 82 Cb 0.57 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.96 2c9t h ASP 82 CO 0.00 0.00 -0.76 0.27 -1.72 0.00 0.00 179.24 177.03 2c9t s ILE 83 N -3.19 1.88 0.33 0.35 -4.36 -1.15 -5.01 121.20 110.06 2c9t s ILE 83 Ca 0.08 -2.13 -0.29 0.00 -0.26 0.00 0.00 60.65 58.06 2c9t s ILE 83 Cb 0.10 -2.01 -0.11 0.00 1.25 0.00 0.00 42.46 41.70 2c9t s ILE 83 CO 0.58 -0.46 1.46 0.86 0.24 0.00 0.00 174.94 177.63 2c9t s TRP 84 N -2.55 2.77 0.05 1.37 -0.00 -1.26 -4.97 118.94 114.36 2c9t s TRP 84 Ca 0.21 1.12 0.04 0.00 -0.00 0.00 0.00 56.10 57.48 2c9t s TRP 84 Cb -0.03 -3.94 -0.02 0.00 -0.00 0.00 0.00 33.47 29.48 2c9t s TRP 84 CO 0.08 -2.84 -0.13 0.95 -0.00 0.00 0.00 176.95 175.01 2c9t s THR 85 N -0.75 1.00 0.48 5.86 -4.23 -1.26 -5.10 115.64 111.64 2c9t s THR 85 Ca 0.55 -1.11 -0.22 0.00 -1.18 0.00 0.00 61.69 59.74 2c9t s THR 85 Cb -0.45 -0.95 -0.08 0.00 1.34 0.00 0.00 72.50 72.36 2c9t s THR 85 CO 0.55 -0.14 1.10 -2.16 -0.54 0.00 0.00 174.62 173.43 2c9t s PRO 86 N -1.41 3.75 -0.41 3.99 0.04 -1.26 -4.94 135.00 134.75 2c9t s PRO 86 Ca -0.02 1.57 -0.04 0.00 0.04 0.00 0.00 61.00 62.55 2c9t s PRO 86 Cb -0.09 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.22 2c9t s PRO 86 CO 0.02 -0.51 2.89 -0.40 0.04 0.00 0.00 177.00 179.04 2c9t n ASP 87 N -0.74 6.33 -4.71 6.66 5.75 -1.26 -4.96 116.55 123.63 2c9t n ASP 87 Ca 0.08 -3.10 -0.42 0.00 -0.01 0.00 0.00 54.79 51.35 2c9t n ASP 87 Cb 0.50 -1.26 -0.03 0.00 -1.03 0.00 0.00 41.12 39.30 2c9t n ASP 87 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2c9t s ILE 88 N -1.73 4.27 0.01 2.12 -1.09 -1.26 -3.00 121.20 120.52 2c9t s ILE 88 Ca 0.60 1.63 0.01 0.00 -2.23 0.00 0.00 60.65 60.65 2c9t s ILE 88 Cb 0.37 -4.04 -0.01 0.00 -1.58 0.00 0.00 42.46 37.20 2c9t s ILE 88 CO -0.19 0.12 -0.02 -0.89 -1.23 0.00 0.00 174.94 172.73 2c9t s THR 89 N 1.07 0.16 0.08 2.92 2.01 0.66 -4.92 115.64 117.61 2c9t s THR 89 Ca 0.57 -0.33 -0.31 0.00 0.31 0.00 0.00 61.69 61.93 2c9t s THR 89 Cb -0.27 -0.19 -0.06 0.00 0.01 0.00 0.00 72.50 71.99 2c9t s THR 89 CO 0.29 -0.11 1.26 0.00 -0.69 0.00 0.00 174.62 175.37 2c9t s ALA 90 N -0.45 3.46 -0.52 7.40 0.00 -1.26 -1.70 121.76 128.69 2c9t s ALA 90 Ca -0.04 0.94 0.24 0.00 0.00 0.00 0.00 51.96 53.10 2c9t s ALA 90 Cb -0.03 -3.47 0.46 0.00 0.00 0.00 0.00 23.12 20.08 2c9t s ALA 90 CO -0.00 -0.49 1.64 1.88 0.00 0.00 0.00 175.76 178.79 2c9t h TYR 91 N 6.79 0.00 -0.28 0.00 0.05 -1.31 -3.35 116.97 118.87 2c9t h TYR 91 Ca -0.42 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.13 2c9t h TYR 91 Cb 1.21 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 38.68 2c9t h TYR 91 CO 0.66 0.00 -0.82 -1.13 -1.05 0.00 0.00 178.16 175.82 2c9t n SER 92 N -2.85 2.39 -4.75 3.88 3.41 -1.26 -5.05 113.62 109.39 2c9t n SER 92 Ca 0.04 -3.09 -0.35 0.00 -0.26 0.00 0.00 58.87 55.21 2c9t n SER 92 Cb 0.50 -0.42 0.04 0.00 -0.26 0.00 0.00 64.21 64.07 2c9t n SER 92 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2c9t s SER 93 N -3.17 5.11 0.00 4.04 1.04 -1.26 -1.25 113.70 118.22 2c9t s SER 93 Ca 0.39 2.31 0.06 0.00 0.48 0.00 0.00 55.95 59.18 2c9t s SER 93 Cb 0.38 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.85 2c9t s SER 93 CO -0.06 -1.64 0.28 0.35 0.98 0.00 0.00 173.24 173.16 2c9t n THR 94 N -1.81 0.00 -4.08 2.02 -2.24 -0.44 -4.84 114.28 102.89 2c9t n THR 94 Ca 0.13 -0.37 -0.07 0.00 -2.27 0.00 0.00 64.05 61.46 2c9t n THR 94 Cb 0.50 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.64 2c9t n THR 94 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2c9t s ARG 95 N -1.47 0.62 0.21 -0.78 0.52 -1.25 -5.06 118.95 111.74 2c9t s ARG 95 Ca 0.03 -1.21 -0.32 0.00 -0.52 0.00 0.00 55.73 53.70 2c9t s ARG 95 Cb 0.04 0.21 -0.14 0.00 0.52 0.00 0.00 34.95 35.59 2c9t s ARG 95 CO 0.23 -0.12 1.41 -2.30 0.02 0.00 0.00 175.30 174.54 2c9t n PRO 96 N 0.10 1.90 -1.69 3.54 -0.02 -1.26 -4.74 135.00 132.83 2c9t n PRO 96 Ca -0.14 0.68 -0.44 0.00 -2.02 0.00 0.00 63.50 61.58 2c9t n PRO 96 Cb 0.61 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 2c9t n PRO 96 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2c9t n VAL 97 N 2.19 0.78 -3.58 -1.45 0.31 -1.26 -4.87 118.33 110.45 2c9t n VAL 97 Ca 0.13 -0.20 -0.36 0.00 -0.01 0.00 0.00 64.34 63.91 2c9t n VAL 97 Cb 0.29 -1.65 -0.07 0.00 -0.91 0.00 0.00 33.84 31.50 2c9t n VAL 97 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2c9t s GLN 98 N -0.16 4.24 -0.13 5.55 -0.21 -0.72 -4.97 119.66 123.26 2c9t s GLN 98 Ca 0.69 0.02 -0.17 0.00 0.02 0.00 0.00 55.36 55.92 2c9t s GLN 98 Cb -0.60 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 29.94 2c9t s GLN 98 CO 0.47 0.24 0.43 0.08 -2.12 0.00 0.00 175.29 174.39 2c9t s VAL 99 N 0.47 5.22 -0.90 1.09 1.01 -1.26 -0.40 120.40 125.63 2c9t s VAL 99 Ca 0.14 0.85 0.07 0.00 0.00 0.00 0.00 61.98 63.05 2c9t s VAL 99 Cb -0.13 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.54 2c9t s VAL 99 CO 0.02 0.34 0.71 0.18 0.00 0.00 0.00 175.10 176.36 2c9t n LEU 100 N 3.67 1.55 -4.16 3.92 4.77 0.16 -4.95 117.00 121.96 2c9t n LEU 100 Ca -0.08 -0.97 -0.10 0.00 -0.03 0.00 0.00 56.01 54.83 2c9t n LEU 100 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 2c9t n LEU 100 CO 0.42 0.31 -0.36 -0.94 -1.33 0.00 0.00 177.39 175.49 2c9t s SER 101 N -0.68 0.91 0.30 -1.43 1.04 -1.25 -4.90 113.70 107.69 2c9t s SER 101 Ca 0.08 -1.04 -0.29 0.00 0.48 0.00 0.00 55.95 55.18 2c9t s SER 101 Cb 0.06 0.14 -0.13 0.00 0.10 0.00 0.00 66.02 66.20 2c9t s SER 101 CO 0.10 -0.54 1.35 -2.65 0.98 0.00 0.00 173.24 172.49 2c9t n PRO 102 N -0.03 2.11 -2.81 4.02 -0.02 -1.26 -4.82 135.00 132.19 2c9t n PRO 102 Ca -0.11 0.75 -0.44 0.00 -2.02 0.00 0.00 63.50 61.68 2c9t n PRO 102 Cb 0.61 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2c9t n PRO 102 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2c9t n GLN 103 N 1.26 3.40 -4.21 -0.52 1.13 -1.26 -4.90 117.38 112.27 2c9t n GLN 103 Ca 0.08 -3.74 -0.22 0.00 -1.94 0.00 0.00 57.00 51.18 2c9t n GLN 103 Cb 0.34 -3.05 -0.17 0.00 0.11 0.00 0.00 30.24 27.47 2c9t n GLN 103 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2c9t s ILE 104 N 1.55 0.69 0.24 5.09 1.01 -1.26 0.04 121.20 128.56 2c9t s ILE 104 Ca 0.43 -0.19 0.08 0.00 0.00 0.00 0.00 60.65 60.96 2c9t s ILE 104 Cb -0.00 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 2c9t s ILE 104 CO 0.01 0.26 0.11 0.00 0.00 0.00 0.00 174.94 175.32 2c9t s ALA 105 N 0.99 3.41 -0.15 9.38 0.00 0.02 -4.61 121.76 130.80 2c9t s ALA 105 Ca -0.10 -1.47 -0.04 0.00 0.00 0.00 0.00 51.96 50.36 2c9t s ALA 105 Cb -0.14 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 2c9t s ALA 105 CO -0.00 0.31 -0.03 0.08 0.00 0.00 0.00 175.76 176.11 2c9t s VAL 106 N -2.11 3.97 -0.12 0.00 1.01 -0.56 -1.25 120.40 121.33 2c9t s VAL 106 Ca 0.32 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.98 2c9t s VAL 106 Cb -0.08 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 2c9t s VAL 106 CO 0.23 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.96 2c9t s VAL 107 N 0.26 2.60 0.25 2.92 1.01 0.56 -1.35 120.40 126.64 2c9t s VAL 107 Ca -0.02 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.22 2c9t s VAL 107 Cb -0.14 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 2c9t s VAL 107 CO 0.03 0.54 0.03 0.42 0.00 0.00 0.00 175.10 176.12 2c9t s THR 108 N 0.40 3.67 0.47 3.92 -4.23 0.31 -0.86 115.64 119.31 2c9t s THR 108 Ca -0.14 -1.75 0.37 0.00 -1.18 0.00 0.00 61.69 59.00 2c9t s THR 108 Cb -0.17 -2.95 0.40 0.00 1.34 0.00 0.00 72.50 71.12 2c9t s THR 108 CO 0.06 -0.33 2.21 1.12 -0.54 0.00 0.00 174.62 177.14 2c9t h HIS 109 N 1.94 0.00 0.00 3.99 2.07 -1.49 0.29 115.15 121.96 2c9t h HIS 109 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 2c9t h HIS 109 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 2c9t h HIS 109 CO 0.65 0.02 0.00 -0.40 -3.07 0.00 0.00 177.93 175.14 2c9t n ASP 110 N -3.26 0.00 0.00 3.10 5.75 -1.26 -1.03 116.55 119.85 2c9t n ASP 110 Ca -0.02 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 2c9t n ASP 110 Cb 0.16 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 2c9t n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2c9t n GLY 111 N 0.55 0.51 3.74 6.12 0.00 0.10 -4.66 105.19 111.55 2c9t n GLY 111 Ca 0.05 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2c9t n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c9t s SER 112 N -2.03 7.45 -0.06 1.61 0.01 -1.18 -0.82 113.70 118.69 2c9t s SER 112 Ca 0.00 1.92 0.06 0.00 1.31 0.00 0.00 55.95 59.24 2c9t s SER 112 Cb 0.00 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 2c9t s SER 112 CO 0.00 -0.07 -0.25 -0.69 0.41 0.00 0.00 173.24 172.64 2c9t s VAL 113 N -0.29 2.07 -0.09 3.43 1.01 0.93 -0.53 120.40 126.92 2c9t s VAL 113 Ca 0.47 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2c9t s VAL 113 Cb -0.26 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.40 2c9t s VAL 113 CO 0.32 0.57 -0.07 -0.32 0.00 0.00 0.00 175.10 175.60 2c9t s MET 114 N -0.18 1.37 -0.05 2.72 0.00 -0.46 -1.65 119.30 121.05 2c9t s MET 114 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 55.69 55.44 2c9t s MET 114 Cb -0.14 -1.39 0.02 0.00 0.00 0.00 0.00 34.83 33.33 2c9t s MET 114 CO 0.04 -0.19 -0.03 0.12 0.00 0.00 0.00 175.02 174.96 2c9t s PHE 115 N 1.43 0.72 -0.55 4.11 5.36 0.12 -1.50 117.98 127.68 2c9t s PHE 115 Ca -0.01 -0.20 0.05 0.00 -0.96 0.00 0.00 56.93 55.81 2c9t s PHE 115 Cb -0.13 -0.71 0.18 0.00 -0.34 0.00 0.00 43.02 42.02 2c9t s PHE 115 CO -0.04 -0.24 0.46 -0.89 -1.46 0.00 0.00 175.22 173.04 2c9t n ILE 116 N 4.39 0.31 -2.36 3.12 5.41 -1.26 -0.55 119.36 128.41 2c9t n ILE 116 Ca -0.20 -4.22 -0.42 0.00 1.00 0.00 0.00 62.75 58.92 2c9t n ILE 116 Cb 0.51 -1.94 -0.03 0.00 -0.71 0.00 0.00 39.64 37.47 2c9t n ILE 116 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2c9t s PRO 117 N -0.90 4.45 0.02 0.38 0.04 -1.22 -4.75 135.00 133.03 2c9t s PRO 117 Ca 0.30 1.87 -0.25 0.00 0.04 0.00 0.00 61.00 62.96 2c9t s PRO 117 Cb 0.03 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 2c9t s PRO 117 CO -0.16 -0.19 0.79 0.00 0.04 0.00 0.00 177.00 177.47 2c9t s ALA 118 N 0.49 3.33 0.00 8.56 0.00 -1.26 -1.81 121.76 131.08 2c9t s ALA 118 Ca 0.56 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.83 2c9t s ALA 118 Cb -0.32 -3.04 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 2c9t s ALA 118 CO 0.33 -0.00 -0.03 -0.65 0.00 0.00 0.00 175.76 175.41 2c9t s GLN 119 N 0.21 0.23 -0.27 0.00 -0.21 -0.16 0.37 119.66 119.83 2c9t s GLN 119 Ca 0.40 -0.16 -0.10 0.00 0.02 0.00 0.00 55.36 55.53 2c9t s GLN 119 Cb -0.20 -0.19 -0.04 0.00 1.00 0.00 0.00 33.01 33.57 2c9t s GLN 119 CO 0.23 0.05 0.14 0.50 -2.12 0.00 0.00 175.29 174.09 2c9t s ARG 120 N -0.21 3.84 -0.19 2.91 3.52 0.47 -1.64 118.95 127.65 2c9t s ARG 120 Ca -0.00 -0.38 -0.02 0.00 -0.13 0.00 0.00 55.73 55.20 2c9t s ARG 120 Cb -0.02 -3.52 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 2c9t s ARG 120 CO -0.00 -0.17 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.07 2c9t s LEU 121 N 1.66 2.79 -0.11 -0.88 2.96 -0.23 -1.75 118.68 123.13 2c9t s LEU 121 Ca 0.07 -0.38 -0.23 0.00 -0.22 0.00 0.00 54.13 53.37 2c9t s LEU 121 Cb -0.16 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 2c9t s LEU 121 CO 0.08 0.05 0.68 -0.44 -1.32 0.00 0.00 176.35 175.40 2c9t s SER 122 N 1.06 6.90 0.04 3.68 0.01 -1.26 -0.48 113.70 123.66 2c9t s SER 122 Ca 0.00 1.08 -0.00 0.00 1.31 0.00 0.00 55.95 58.34 2c9t s SER 122 Cb -0.15 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 2c9t s SER 122 CO -0.01 -0.16 -0.03 0.72 0.41 0.00 0.00 173.24 174.16 2c9t s PHE 123 N 1.14 0.47 -0.17 2.43 -0.12 -0.31 -1.33 117.98 120.09 2c9t s PHE 123 Ca 0.35 -0.89 -0.29 0.00 -0.05 0.00 0.00 56.93 56.05 2c9t s PHE 123 Cb -0.17 -0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 41.83 2c9t s PHE 123 CO 0.15 -0.30 2.04 -1.64 -0.05 0.00 0.00 175.22 175.42 2c9t s MET 124 N -3.13 3.49 -0.28 1.99 -1.94 -0.38 -1.64 119.30 117.42 2c9t s MET 124 Ca 0.00 2.07 -0.09 0.00 -1.71 0.00 0.00 55.69 55.96 2c9t s MET 124 Cb 0.02 -4.26 0.12 0.00 2.01 0.00 0.00 34.83 32.72 2c9t s MET 124 CO -0.07 -1.69 0.60 0.00 -0.01 0.00 0.00 175.02 173.85 2c9t s ASP 126 N 2.78 6.58 0.00 0.00 -1.08 -1.26 -3.34 116.67 120.35 2c9t s ASP 126 Ca -0.05 0.44 0.17 0.00 -0.52 0.00 0.00 52.55 52.59 2c9t s ASP 126 Cb -0.12 -2.55 0.86 0.00 -1.46 0.00 0.00 42.92 39.65 2c9t s ASP 126 CO -0.18 -1.31 1.58 -0.81 0.52 0.00 0.00 175.17 174.97 2c9t n PRO 127 N 7.96 1.27 -1.68 4.34 -0.04 -1.26 -4.90 135.00 140.70 2c9t n PRO 127 Ca 0.12 -0.41 -0.52 0.00 -0.04 0.00 0.00 63.50 62.65 2c9t n PRO 127 Cb 0.49 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.60 2c9t n PRO 127 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2c9t n THR 128 N -0.35 0.32 -0.02 0.52 -1.04 -1.26 -1.00 114.28 111.46 2c9t n THR 128 Ca 0.13 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2c9t n THR 128 Cb 0.15 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 2c9t n THR 128 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2c9t n GLY 129 N 3.92 0.32 0.49 3.41 0.00 -1.26 -4.79 105.19 107.28 2c9t n GLY 129 Ca 0.23 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.55 2c9t n GLY 129 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2c9t h VAL 130 N 0.00 0.48 -0.20 1.61 3.04 -1.28 -0.58 116.25 119.32 2c9t h VAL 130 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 2c9t h VAL 130 Cb 0.00 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 29.67 2c9t h VAL 130 CO 0.00 0.01 0.00 -0.90 -1.01 0.00 0.00 177.57 175.67 2c9t n ASP 131 N -4.29 1.34 -4.88 3.17 5.75 -1.26 -0.65 116.55 115.72 2c9t n ASP 131 Ca 0.23 -2.05 -0.22 0.00 -0.01 0.00 0.00 54.79 52.74 2c9t n ASP 131 Cb 1.09 -0.22 -0.02 0.00 -1.03 0.00 0.00 41.12 40.94 2c9t n ASP 131 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2c9t s SER 132 N -0.85 4.93 0.31 -1.12 1.04 -0.22 -4.93 113.70 112.86 2c9t s SER 132 Ca 0.14 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2c9t s SER 132 Cb 0.08 -0.32 0.51 0.00 0.10 0.00 0.00 66.02 66.39 2c9t s SER 132 CO 0.08 -0.77 1.92 -0.33 0.98 0.00 0.00 173.24 175.12 2c9t h GLU 133 N 0.95 0.85 -0.10 4.02 5.08 -1.89 -2.76 114.58 120.73 2c9t h GLU 133 Ca -0.40 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 57.69 2c9t h GLU 133 Cb 1.27 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2c9t h GLU 133 CO 0.57 0.66 -0.64 0.93 -1.00 0.00 0.00 179.01 179.53 2c9t h GLU 134 N 0.85 0.38 0.00 2.33 3.07 -1.95 -3.49 114.58 115.77 2c9t h GLU 134 Ca 0.21 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2c9t h GLU 134 Cb 0.08 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2c9t h GLU 134 CO -0.03 0.89 0.00 0.41 -1.40 0.00 0.00 179.01 178.88 2c9t n GLY 135 N 0.38 -0.03 2.99 -3.84 0.00 -1.04 -4.83 105.19 98.81 2c9t n GLY 135 Ca -0.03 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 2c9t n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c9t s VAL 136 N 0.00 0.09 -0.14 1.61 0.11 0.78 -4.43 120.40 118.41 2c9t s VAL 136 Ca 0.00 -0.73 -0.05 0.00 -2.93 0.00 0.00 61.98 58.27 2c9t s VAL 136 Cb 0.00 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 2c9t s VAL 136 CO 0.00 -0.40 0.02 -0.89 -3.33 0.00 0.00 175.10 170.50 2c9t s THR 137 N -1.21 4.42 0.26 5.04 2.01 -1.26 -0.52 115.64 124.38 2c9t s THR 137 Ca -0.13 -0.18 0.09 0.00 0.31 0.00 0.00 61.69 61.77 2c9t s THR 137 Cb -0.08 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 2c9t s THR 137 CO -0.00 0.52 -0.13 0.00 -0.69 0.00 0.00 174.62 174.32 2c9t s ALA 139 N -2.84 -0.08 -0.09 0.00 0.00 -1.26 -1.07 121.76 116.41 2c9t s ALA 139 Ca 0.27 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 2c9t s ALA 139 Cb -0.00 -0.00 0.05 0.00 0.00 0.00 0.00 23.12 23.17 2c9t s ALA 139 CO 0.11 -0.08 0.20 0.54 0.00 0.00 0.00 175.76 176.53 2c9t s VAL 140 N -0.51 -0.17 0.22 0.00 0.11 0.04 -4.93 120.40 115.16 2c9t s VAL 140 Ca -0.06 0.24 -0.15 0.00 -2.93 0.00 0.00 61.98 59.08 2c9t s VAL 140 Cb -0.04 -0.33 -0.08 0.00 -1.53 0.00 0.00 36.38 34.40 2c9t s VAL 140 CO -0.00 0.10 0.63 -0.54 -3.33 0.00 0.00 175.10 171.96 2c9t s LYS 141 N 1.73 4.01 -0.03 1.54 1.02 -1.26 -0.13 119.74 126.62 2c9t s LYS 141 Ca -0.04 0.58 0.03 0.00 0.02 0.00 0.00 55.97 56.56 2c9t s LYS 141 Cb -0.11 -2.75 -0.00 0.00 -0.52 0.00 0.00 37.83 34.45 2c9t s LYS 141 CO -0.07 0.35 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.52 2c9t s PHE 142 N -1.67 1.29 0.07 3.18 0.08 -0.18 -0.75 117.98 120.01 2c9t s PHE 142 Ca 0.45 -0.34 -0.26 0.00 0.12 0.00 0.00 56.93 56.90 2c9t s PHE 142 Cb -0.14 -0.89 0.09 0.00 -0.57 0.00 0.00 43.02 41.51 2c9t s PHE 142 CO 0.20 -0.12 1.18 0.20 -0.10 0.00 0.00 175.22 176.57 2c9t s GLY 143 N 0.09 -0.01 0.62 4.36 0.00 -0.69 -1.27 107.32 110.43 2c9t s GLY 143 Ca -0.03 -0.15 -0.18 0.00 0.00 0.00 0.00 44.72 44.37 2c9t s GLY 143 CO 0.01 4.36 1.21 -0.45 0.00 0.00 0.00 173.10 178.23 2c9t s SER 144 N -3.65 4.96 0.08 1.64 0.15 -1.26 -0.25 113.70 115.37 2c9t s SER 144 Ca 0.27 2.39 0.11 0.00 0.70 0.00 0.00 55.95 59.41 2c9t s SER 144 Cb -0.02 -2.60 -0.18 0.00 -1.71 0.00 0.00 66.02 61.52 2c9t s SER 144 CO 0.02 -1.75 1.05 -0.25 1.20 0.00 0.00 173.24 173.51 2c9t h TRP 145 N 0.61 0.00 0.00 3.44 2.91 -1.91 -3.43 115.95 117.58 2c9t h TRP 145 Ca -0.50 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.52 2c9t h TRP 145 Cb 1.30 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.95 2c9t h TRP 145 CO 0.46 0.91 -0.03 1.33 -1.03 0.00 0.00 178.44 180.08 2c9t n VAL 146 N -3.19 0.00 -4.49 2.65 0.24 -1.26 -5.06 118.33 107.22 2c9t n VAL 146 Ca -0.06 -0.23 -0.34 0.00 -2.04 0.00 0.00 64.34 61.67 2c9t n VAL 146 Cb 0.95 0.95 -0.12 0.00 -1.47 0.00 0.00 33.84 34.15 2c9t n VAL 146 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2c9t s TYR 147 N -0.53 3.00 0.92 6.34 2.02 -1.26 -5.11 117.35 122.73 2c9t s TYR 147 Ca 0.00 -0.15 -0.14 0.00 -0.37 0.00 0.00 57.07 56.41 2c9t s TYR 147 Cb 0.00 -1.85 0.15 0.00 -0.40 0.00 0.00 41.96 39.86 2c9t s TYR 147 CO 0.00 0.14 1.22 -1.54 -1.57 0.00 0.00 175.55 173.80 2c9t s SER 148 N -0.18 3.50 0.31 2.29 1.04 -1.26 -4.68 113.70 114.72 2c9t s SER 148 Ca 0.03 0.61 0.25 0.00 0.48 0.00 0.00 55.95 57.32 2c9t s SER 148 Cb -0.13 -0.92 1.04 0.00 0.10 0.00 0.00 66.02 66.11 2c9t s SER 148 CO 0.03 -2.52 1.76 1.23 0.98 0.00 0.00 173.24 174.72 2c9t h GLY 149 N -1.48 0.00 1.92 7.32 0.00 -0.60 0.04 103.07 110.26 2c9t h GLY 149 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2c9t h GLY 149 CO 0.52 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.75 2c9t n PHE 150 N -2.39 0.00 -0.01 5.60 3.72 -1.26 -3.93 117.46 119.19 2c9t n PHE 150 Ca 0.02 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.39 2c9t n PHE 150 Cb 0.25 -0.46 -0.01 0.00 -0.94 0.00 0.00 39.48 38.32 2c9t n PHE 150 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2c9t n GLU 151 N -1.46 0.07 -3.97 -1.08 1.02 -0.22 -4.19 120.64 110.81 2c9t n GLU 151 Ca 0.06 0.03 -0.34 0.00 -0.02 0.00 0.00 57.16 56.89 2c9t n GLU 151 Cb 0.25 -0.62 -0.14 0.00 -0.02 0.00 0.00 31.44 30.91 2c9t n GLU 151 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2c9t s ILE 152 N -2.07 2.72 0.14 -3.67 1.01 -0.17 -1.39 121.20 117.78 2c9t s ILE 152 Ca -0.04 -1.37 -0.23 0.00 0.00 0.00 0.00 60.65 59.00 2c9t s ILE 152 Cb 0.02 -2.53 -0.08 0.00 0.01 0.00 0.00 42.46 39.88 2c9t s ILE 152 CO 0.06 -0.01 0.70 -0.62 0.00 0.00 0.00 174.94 175.07 2c9t s ASP 153 N 1.23 7.27 -0.05 3.58 2.15 -0.02 -3.96 116.67 126.86 2c9t s ASP 153 Ca -0.05 1.51 0.02 0.00 0.43 0.00 0.00 52.55 54.46 2c9t s ASP 153 Cb -0.19 -2.45 -0.03 0.00 -0.30 0.00 0.00 42.92 39.95 2c9t s ASP 153 CO -0.03 0.23 -0.09 -0.76 -0.17 0.00 0.00 175.17 174.35 2c9t s LEU 154 N -1.16 3.05 0.04 -1.34 1.43 -1.26 -0.12 118.68 119.32 2c9t s LEU 154 Ca 0.34 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 2c9t s LEU 154 Cb -0.22 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 2c9t s LEU 154 CO 0.24 0.35 -0.04 -0.75 0.23 0.00 0.00 176.35 176.37 2c9t s LYS 155 N -0.85 0.51 0.18 1.70 2.20 -0.81 -4.96 119.74 117.72 2c9t s LYS 155 Ca 0.13 -0.92 0.11 0.00 -0.36 0.00 0.00 55.97 54.92 2c9t s LYS 155 Cb -0.11 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.20 2c9t s LYS 155 CO 0.02 -0.05 -0.25 0.95 -0.36 0.00 0.00 175.35 175.66 2c9t s THR 156 N -2.51 2.32 -0.20 3.43 -4.23 -1.26 -0.57 115.64 112.63 2c9t s THR 156 Ca -0.04 -1.97 0.19 0.00 -1.18 0.00 0.00 61.69 58.70 2c9t s THR 156 Cb -0.02 -2.09 -0.02 0.00 1.34 0.00 0.00 72.50 71.70 2c9t s THR 156 CO -0.04 -0.07 1.04 0.44 -0.54 0.00 0.00 174.62 175.46 2c9t h ASP 157 N 3.36 0.00 -5.04 3.99 3.32 -1.96 -3.47 116.42 116.63 2c9t h ASP 157 Ca -0.47 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.46 2c9t h ASP 157 Cb 1.20 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.57 2c9t h ASP 157 CO 0.46 0.29 -0.38 0.28 -1.72 0.00 0.00 179.24 178.17 2c9t s THR 158 N -3.13 0.09 -1.46 0.35 -1.32 -1.26 -5.05 115.64 103.86 2c9t s THR 158 Ca -0.00 -0.77 0.25 0.00 -1.21 0.00 0.00 61.69 59.95 2c9t s THR 158 Cb 0.09 -0.77 0.10 0.00 -1.51 0.00 0.00 72.50 70.41 2c9t s THR 158 CO 0.78 -0.42 1.40 0.47 -2.21 0.00 0.00 174.62 174.64 2c9t n ASP 159 N 0.93 0.96 -4.69 8.08 8.00 -1.26 -4.76 116.55 123.80 2c9t n ASP 159 Ca -0.20 -0.76 -0.38 0.00 0.71 0.00 0.00 54.79 54.16 2c9t n ASP 159 Cb 0.58 0.29 -0.07 0.00 -0.02 0.00 0.00 41.12 41.90 2c9t n ASP 159 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2c9t s GLN 160 N -2.71 4.23 0.34 -1.24 2.00 -1.26 -0.56 119.66 120.45 2c9t s GLN 160 Ca 0.18 0.25 -0.28 0.00 -2.00 0.00 0.00 55.36 53.51 2c9t s GLN 160 Cb 0.18 -3.49 -0.10 0.00 0.80 0.00 0.00 33.01 30.40 2c9t s GLN 160 CO 0.62 0.06 1.25 0.08 -0.50 0.00 0.00 175.29 176.80 2c9t s VAL 161 N 1.00 2.89 -0.30 1.34 1.01 -0.85 -4.83 120.40 120.66 2c9t s VAL 161 Ca 0.21 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 62.76 2c9t s VAL 161 Cb -0.14 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2c9t s VAL 161 CO 0.08 0.19 1.24 -0.62 0.00 0.00 0.00 175.10 175.98 2c9t s ASP 162 N -0.65 6.76 0.00 3.32 2.15 -0.67 -4.84 116.67 122.73 2c9t s ASP 162 Ca 0.50 1.19 0.12 0.00 0.43 0.00 0.00 52.55 54.79 2c9t s ASP 162 Cb -0.37 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 39.98 2c9t s ASP 162 CO 0.49 -1.01 1.17 0.18 -0.17 0.00 0.00 175.17 175.83 2c9t n LEU 163 N 7.36 2.74 0.27 -1.34 4.77 -1.26 -2.18 117.00 127.36 2c9t n LEU 163 Ca 0.14 -1.69 0.12 0.00 -0.03 0.00 0.00 56.01 54.55 2c9t n LEU 163 Cb 0.47 -0.18 0.75 0.00 -2.33 0.00 0.00 43.42 42.12 2c9t n LEU 163 CO 0.62 0.64 1.01 0.77 -1.33 0.00 0.00 177.39 179.10 2c9t h SER 164 N 2.37 0.00 -0.21 -1.43 4.64 -1.88 -1.52 113.55 115.51 2c9t h SER 164 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2c9t h SER 164 Cb 0.69 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.69 2c9t h SER 164 CO 0.00 0.09 -0.38 -1.54 -0.87 0.00 0.00 176.83 174.13 2c9t n SER 165 N -3.80 2.40 -4.75 4.97 3.41 -1.26 -5.02 113.62 109.56 2c9t n SER 165 Ca -0.02 -3.86 -0.41 0.00 -0.26 0.00 0.00 58.87 54.32 2c9t n SER 165 Cb 0.19 -0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 63.57 2c9t n SER 165 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2c9t s TYR 166 N -3.30 2.90 -0.18 7.33 5.04 -0.57 -4.62 117.35 123.94 2c9t s TYR 166 Ca 0.42 0.96 -0.29 0.00 -2.44 0.00 0.00 57.07 55.72 2c9t s TYR 166 Cb 0.39 -3.92 -0.05 0.00 0.35 0.00 0.00 41.96 38.73 2c9t s TYR 166 CO -0.04 -3.00 1.99 -0.47 -1.34 0.00 0.00 175.55 172.70 2c9t s TYR 167 N -0.10 1.46 0.01 4.97 5.04 0.53 -4.84 117.35 124.41 2c9t s TYR 167 Ca 0.60 0.34 0.30 0.00 -2.44 0.00 0.00 57.07 55.88 2c9t s TYR 167 Cb -0.44 -4.03 1.48 0.00 0.35 0.00 0.00 41.96 39.32 2c9t s TYR 167 CO 0.46 -4.02 1.92 0.00 -1.34 0.00 0.00 175.55 172.57 2c9t h ALA 168 N 13.02 1.00 -0.21 3.97 0.00 -1.90 -1.91 119.26 133.23 2c9t h ALA 168 Ca -0.40 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 2c9t h ALA 168 Cb 1.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2c9t h ALA 168 CO 0.97 0.00 -0.11 0.43 0.00 0.00 0.00 179.25 180.54 2c9t n SER 169 N -2.62 2.69 -4.53 0.00 7.64 -1.26 -5.04 113.62 110.50 2c9t n SER 169 Ca -0.01 -3.48 -0.34 0.00 1.01 0.00 0.00 58.87 56.05 2c9t n SER 169 Cb 0.15 -0.56 0.10 0.00 -1.01 0.00 0.00 64.21 62.89 2c9t n SER 169 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2c9t n SER 170 N -1.03 -0.70 0.23 6.43 2.88 -0.72 -4.91 113.62 115.81 2c9t n SER 170 Ca 0.25 0.52 0.11 0.00 -1.33 0.00 0.00 58.87 58.42 2c9t n SER 170 Cb 0.88 -1.31 0.47 0.00 -0.75 0.00 0.00 64.21 63.49 2c9t n SER 170 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2c9t h LYS 171 N -0.87 0.00 -5.32 -1.46 1.79 -1.91 -3.44 116.57 105.36 2c9t h LYS 171 Ca -0.45 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.34 2c9t h LYS 171 Cb 1.31 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 31.64 2c9t h LYS 171 CO 0.41 0.17 -0.87 0.71 -1.08 0.00 0.00 179.45 178.79 2c9t s TYR 172 N -3.59 2.59 0.07 -1.35 2.02 -1.26 -0.49 117.35 115.33 2c9t s TYR 172 Ca 0.01 -1.06 -0.25 0.00 -0.37 0.00 0.00 57.07 55.41 2c9t s TYR 172 Cb 0.09 -1.73 -0.06 0.00 -0.40 0.00 0.00 41.96 39.86 2c9t s TYR 172 CO 0.62 -0.43 0.75 -2.00 -1.57 0.00 0.00 175.55 172.93 2c9t s GLU 173 N 0.39 4.49 -0.23 -0.62 2.12 0.16 -4.79 118.70 120.22 2c9t s GLU 173 Ca -0.17 1.06 -0.23 0.00 0.36 0.00 0.00 54.97 55.99 2c9t s GLU 173 Cb -0.18 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 2c9t s GLU 173 CO 0.08 0.35 0.75 0.42 -0.54 0.00 0.00 175.26 176.31 2c9t s ILE 174 N -0.29 4.91 -0.15 -3.70 -1.09 -1.26 -2.01 121.20 117.60 2c9t s ILE 174 Ca 0.37 1.40 -0.12 0.00 -2.23 0.00 0.00 60.65 60.07 2c9t s ILE 174 Cb -0.21 -4.04 -0.24 0.00 -1.58 0.00 0.00 42.46 36.39 2c9t s ILE 174 CO 0.23 -0.01 0.33 -0.07 -1.23 0.00 0.00 174.94 174.19 2c9t h LEU 175 N 8.92 0.28 -7.59 2.97 3.38 -1.46 -3.49 115.31 118.33 2c9t h LEU 175 Ca -0.26 -0.80 -0.08 0.00 0.09 0.00 0.00 57.88 56.83 2c9t h LEU 175 Cb 1.11 -0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.62 2c9t h LEU 175 CO 0.83 1.73 -0.24 -0.94 0.09 0.00 0.00 178.44 179.91 2c9t s SER 176 N -6.99 -0.08 -0.22 -0.43 1.04 -1.07 -5.00 113.70 100.94 2c9t s SER 176 Ca -0.24 -0.34 -0.08 0.00 0.48 0.00 0.00 55.95 55.77 2c9t s SER 176 Cb 0.06 0.38 0.10 0.00 0.10 0.00 0.00 66.02 66.66 2c9t s SER 176 CO 0.71 -0.70 0.47 0.00 0.98 0.00 0.00 173.24 174.71 2c9t s ALA 177 N -3.17 -1.36 0.13 5.32 0.00 -1.26 -1.30 121.76 120.13 2c9t s ALA 177 Ca -0.01 1.70 0.06 0.00 0.00 0.00 0.00 51.96 53.71 2c9t s ALA 177 Cb 0.01 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 2c9t s ALA 177 CO -0.07 -0.79 -0.14 0.95 0.00 0.00 0.00 175.76 175.71 2c9t s THR 178 N 2.65 1.38 -0.25 0.00 -4.23 -0.12 -2.00 115.64 113.08 2c9t s THR 178 Ca -0.03 -1.77 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 2c9t s THR 178 Cb -0.12 -1.59 0.08 0.00 1.34 0.00 0.00 72.50 72.21 2c9t s THR 178 CO -0.14 -0.43 0.10 0.00 -0.54 0.00 0.00 174.62 173.61 2c9t s GLN 179 N -2.77 0.33 -0.08 3.99 -2.07 0.27 -1.19 119.66 118.15 2c9t s GLN 179 Ca 0.10 -0.49 0.03 0.00 -1.82 0.00 0.00 55.36 53.18 2c9t s GLN 179 Cb -0.04 -1.64 0.01 0.00 -1.09 0.00 0.00 33.01 30.24 2c9t s GLN 179 CO 0.03 -0.86 -0.16 0.99 -1.32 0.00 0.00 175.29 173.97 2c9t s THR 180 N 1.98 1.47 0.16 3.63 2.01 -0.75 -4.18 115.64 119.96 2c9t s THR 180 Ca 0.06 -0.67 -0.31 0.00 0.31 0.00 0.00 61.69 61.07 2c9t s THR 180 Cb -0.16 -1.30 -0.10 0.00 0.01 0.00 0.00 72.50 70.94 2c9t s THR 180 CO -0.23 0.43 1.55 -0.60 -0.69 0.00 0.00 174.62 175.09 2c9t s ARG 181 N 0.54 4.22 -0.00 4.92 3.52 -1.26 -0.29 118.95 130.60 2c9t s ARG 181 Ca -0.16 2.34 0.07 0.00 -0.13 0.00 0.00 55.73 57.85 2c9t s ARG 181 Cb -0.17 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 2c9t s ARG 181 CO 0.06 -0.59 -0.21 -0.65 -0.81 0.00 0.00 175.30 173.10 2c9t s GLN 182 N 1.09 1.62 -0.19 5.12 -0.21 0.59 -4.95 119.66 122.72 2c9t s GLN 182 Ca 0.69 -0.78 -0.01 0.00 0.02 0.00 0.00 55.36 55.29 2c9t s GLN 182 Cb -0.43 -1.60 0.01 0.00 1.00 0.00 0.00 33.01 31.99 2c9t s GLN 182 CO 0.32 0.43 -0.14 0.08 -2.12 0.00 0.00 175.29 173.86 2c9t s VAL 183 N -0.55 2.61 -0.06 1.09 1.01 -1.26 -1.57 120.40 121.68 2c9t s VAL 183 Ca 0.08 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2c9t s VAL 183 Cb -0.08 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 2c9t s VAL 183 CO -0.00 0.49 -0.00 -1.58 0.00 0.00 0.00 175.10 174.01 2c9t s GLN 184 N 1.31 2.90 0.17 2.72 2.00 0.17 -4.96 119.66 123.99 2c9t s GLN 184 Ca 0.04 -0.48 0.11 0.00 -2.00 0.00 0.00 55.36 53.03 2c9t s GLN 184 Cb -0.14 -2.74 -0.04 0.00 0.80 0.00 0.00 33.01 30.89 2c9t s GLN 184 CO -0.08 0.68 -0.24 -1.01 -0.50 0.00 0.00 175.29 174.13 2c9t s HIS 185 N -0.94 2.27 0.09 1.67 3.76 -1.26 -0.86 115.29 120.02 2c9t s HIS 185 Ca 0.15 -0.37 0.10 0.00 -0.15 0.00 0.00 55.06 54.79 2c9t s HIS 185 Cb -0.11 -1.15 -0.04 0.00 1.11 0.00 0.00 32.58 32.39 2c9t s HIS 185 CO 0.05 0.44 -0.27 0.71 -0.85 0.00 0.00 174.74 174.82 2c9t s TYR 186 N -1.53 2.32 0.26 1.40 2.02 -1.26 -5.05 117.35 115.51 2c9t s TYR 186 Ca 0.18 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.45 2c9t s TYR 186 Cb -0.08 -1.31 0.34 0.00 -0.40 0.00 0.00 41.96 40.51 2c9t s TYR 186 CO 0.09 0.25 1.92 0.77 -1.57 0.00 0.00 175.55 177.01 2c9t h SER 187 N 4.26 1.09 -0.55 2.29 0.02 -2.01 -2.23 113.55 116.41 2c9t h SER 187 Ca -0.49 -0.02 0.14 0.00 -0.84 0.00 0.00 61.79 60.58 2c9t h SER 187 Cb 1.16 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 2c9t h SER 187 CO 0.41 0.75 0.39 0.00 -1.14 0.00 0.00 176.83 177.24 2c9t h PRO 190 N 6.97 0.40 -6.79 0.00 0.11 -1.89 -3.39 132.00 127.40 2c9t h PRO 190 Ca -0.36 -0.15 -0.50 0.00 0.11 0.00 0.00 66.00 65.10 2c9t h PRO 190 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2c9t h PRO 190 CO 0.48 0.64 0.42 -1.83 -0.21 0.00 0.00 178.00 177.50 2c9t s GLU 191 N -4.46 4.70 0.49 1.05 1.03 -1.26 -5.02 118.70 115.23 2c9t s GLU 191 Ca -0.06 1.66 -0.15 0.00 0.03 0.00 0.00 54.97 56.44 2c9t s GLU 191 Cb 0.14 -3.18 -0.08 0.00 -0.80 0.00 0.00 34.13 30.21 2c9t s GLU 191 CO 0.78 0.31 0.94 -1.25 -1.33 0.00 0.00 175.26 174.71 2c9t s PRO 192 N -1.41 3.92 -0.18 -4.83 0.04 -1.26 -4.69 135.00 126.58 2c9t s PRO 192 Ca 0.44 0.86 0.01 0.00 0.04 0.00 0.00 61.00 62.35 2c9t s PRO 192 Cb -0.29 -2.19 0.02 0.00 0.04 0.00 0.00 34.50 32.08 2c9t s PRO 192 CO 0.37 -0.22 -0.19 0.71 0.04 0.00 0.00 177.00 177.71 2c9t s TYR 193 N -2.56 2.81 -0.04 0.56 2.02 -0.04 -0.07 117.35 120.02 2c9t s TYR 193 Ca 0.57 -1.65 0.05 0.00 -0.37 0.00 0.00 57.07 55.68 2c9t s TYR 193 Cb -0.10 -1.93 -0.02 0.00 -0.40 0.00 0.00 41.96 39.51 2c9t s TYR 193 CO 0.31 -0.80 -0.18 0.42 -1.57 0.00 0.00 175.55 173.73 2c9t s ILE 194 N 1.29 2.73 0.10 2.71 1.01 -1.26 -0.65 121.20 127.12 2c9t s ILE 194 Ca 0.04 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 2c9t s ILE 194 Cb -0.13 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 2c9t s ILE 194 CO -0.12 0.59 0.12 1.51 0.00 0.00 0.00 174.94 177.03 2c9t s ASP 195 N -0.64 0.25 -0.23 3.58 -4.77 -0.61 -4.63 116.67 109.62 2c9t s ASP 195 Ca 0.10 -0.92 -0.03 0.00 -3.30 0.00 0.00 52.55 48.39 2c9t s ASP 195 Cb -0.11 0.31 0.00 0.00 -1.09 0.00 0.00 42.92 42.03 2c9t s ASP 195 CO 0.00 -0.73 -0.04 -0.69 0.70 0.00 0.00 175.17 174.41 2c9t s VAL 196 N -3.94 3.27 -0.27 2.11 1.01 -0.40 -0.30 120.40 121.89 2c9t s VAL 196 Ca 0.12 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 2c9t s VAL 196 Cb 0.06 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2c9t s VAL 196 CO -0.06 0.35 0.31 0.21 0.00 0.00 0.00 175.10 175.92 2c9t s ASN 197 N 1.44 6.19 -0.33 3.32 2.47 0.60 -1.01 114.94 127.62 2c9t s ASN 197 Ca 0.04 0.20 -0.14 0.00 0.42 0.00 0.00 52.86 53.39 2c9t s ASN 197 Cb -0.15 -2.18 -0.02 0.00 -1.45 0.00 0.00 41.25 37.45 2c9t s ASN 197 CO -0.03 -0.13 0.30 -0.22 -3.72 0.00 0.00 177.10 173.29 2c9t s LEU 198 N 1.90 4.44 -0.19 3.21 2.96 0.81 -1.81 118.68 130.00 2c9t s LEU 198 Ca 0.12 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 53.74 2c9t s LEU 198 Cb -0.16 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.31 2c9t s LEU 198 CO 0.10 -0.27 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.01 2c9t s VAL 199 N 1.87 2.38 -0.11 1.68 1.01 -0.33 -0.78 120.40 126.11 2c9t s VAL 199 Ca 0.09 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2c9t s VAL 199 Cb -0.17 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.18 2c9t s VAL 199 CO 0.11 0.48 -0.13 -0.69 0.00 0.00 0.00 175.10 174.87 2c9t s VAL 200 N 1.32 1.37 -0.18 2.92 1.01 -0.23 -0.94 120.40 125.67 2c9t s VAL 200 Ca 0.04 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 2c9t s VAL 200 Cb -0.14 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 2c9t s VAL 200 CO -0.10 0.42 0.02 -0.75 0.00 0.00 0.00 175.10 174.68 2c9t s LYS 201 N 1.09 3.80 0.14 2.72 2.20 -0.42 -1.01 119.74 128.27 2c9t s LYS 201 Ca -0.05 -0.44 -0.10 0.00 -0.36 0.00 0.00 55.97 55.02 2c9t s LYS 201 Cb -0.14 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 2c9t s LYS 201 CO -0.03 0.20 0.29 -0.59 -0.36 0.00 0.00 175.35 174.87 2c9t s PHE 202 N 0.52 0.21 0.13 4.03 -0.12 0.32 -1.03 117.98 122.04 2c9t s PHE 202 Ca 0.00 -0.58 -0.07 0.00 -0.05 0.00 0.00 56.93 56.23 2c9t s PHE 202 Cb -0.13 0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.26 2c9t s PHE 202 CO 0.02 -0.69 0.18 -0.98 -0.05 0.00 0.00 175.22 173.71 2c9t s ARG 203 N -3.91 0.97 0.27 1.99 1.70 -0.85 -0.15 118.95 118.96 2c9t s ARG 203 Ca 0.11 -1.17 -0.31 0.00 -0.47 0.00 0.00 55.73 53.89 2c9t s ARG 203 Cb 0.03 0.33 -0.12 0.00 -0.57 0.00 0.00 34.95 34.62 2c9t s ARG 203 CO -0.05 -0.32 1.58 0.39 -1.08 0.00 0.00 175.30 175.83 2c9t n GLU 204 N -0.12 2.58 0.00 3.89 1.02 0.17 -0.67 120.64 127.51 2c9t n GLU 204 Ca -0.10 0.92 0.02 0.00 -0.02 0.00 0.00 57.16 57.98 2c9t n GLU 204 Cb 0.63 -2.69 0.12 0.00 -0.02 0.00 0.00 31.44 29.48 2c9t n GLU 204 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85