#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 0.39 -0.23 -1.58 0.00 -2.03 -0.35 119.26 115.47 2c9t h ALA 2 Ca 0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 2c9t h ALA 2 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2c9t h ALA 2 CO 0.00 0.02 -0.57 -0.91 0.00 0.00 0.00 179.25 177.80 2c9t h ASN 3 N 0.32 0.79 -0.19 0.00 2.35 -1.99 -1.84 115.58 115.03 2c9t h ASN 3 Ca 0.10 -0.43 -0.05 0.00 -0.55 0.00 0.00 56.30 55.36 2c9t h ASN 3 Cb 0.24 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 2c9t h ASN 3 CO -0.00 1.19 -0.09 0.25 -1.65 0.00 0.00 177.43 177.12 2c9t h LEU 4 N 0.54 0.40 -0.52 1.61 5.85 -1.83 0.23 115.31 121.59 2c9t h LEU 4 Ca 0.01 -0.41 0.10 0.00 0.84 0.00 0.00 57.88 58.42 2c9t h LEU 4 Cb 1.14 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.97 2c9t h LEU 4 CO 0.12 0.73 -0.04 0.24 -0.34 0.00 0.00 178.44 179.15 2c9t h MET 5 N 0.08 0.08 -0.22 1.25 2.86 -1.02 0.18 114.93 118.14 2c9t h MET 5 Ca 0.04 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 2c9t h MET 5 Cb 0.58 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 2c9t h MET 5 CO 0.03 0.05 -0.04 -0.09 1.06 0.00 0.00 176.91 177.92 2c9t h ARG 6 N 0.08 0.02 -0.13 1.72 2.43 -1.27 0.26 114.38 117.49 2c9t h ARG 6 Ca 0.26 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2c9t h ARG 6 Cb 0.40 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2c9t h ARG 6 CO -0.46 0.01 0.08 1.25 -1.51 0.00 0.00 179.97 179.34 2c9t h LEU 7 N 0.02 0.15 -0.64 3.80 5.85 -0.12 -0.58 115.31 123.78 2c9t h LEU 7 Ca 0.11 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 2c9t h LEU 7 Cb 0.16 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2c9t h LEU 7 CO -0.22 0.12 0.15 0.11 -0.34 0.00 0.00 178.44 178.26 2c9t h LYS 8 N 0.16 1.03 -0.57 1.25 1.57 -0.54 -1.67 116.57 117.80 2c9t h LYS 8 Ca 0.05 -0.25 0.04 0.00 -1.87 0.00 0.00 60.65 58.62 2c9t h LYS 8 Cb -0.00 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.13 2c9t h LYS 8 CO -0.01 0.93 0.31 1.03 -0.57 0.00 0.00 179.45 181.14 2c9t h SER 9 N 0.95 0.46 -0.51 0.86 0.87 -0.72 -1.35 113.55 114.11 2c9t h SER 9 Ca 0.20 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 2c9t h SER 9 Cb 0.37 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2c9t h SER 9 CO 0.00 0.31 0.09 0.44 -0.53 0.00 0.00 176.83 177.15 2c9t h ASP 10 N 0.59 0.85 0.70 6.23 3.32 -0.72 -1.77 116.42 125.62 2c9t h ASP 10 Ca 0.25 -0.18 -0.26 0.00 0.02 0.00 0.00 57.03 56.86 2c9t h ASP 10 Cb 0.12 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 2c9t h ASP 10 CO -0.15 0.86 -1.19 -0.07 -1.72 0.00 0.00 179.24 176.97 2c9t h LEU 11 N 0.85 0.34 0.00 1.55 3.38 -1.03 -3.37 115.31 117.03 2c9t h LEU 11 Ca 0.18 -0.36 -0.19 0.00 0.09 0.00 0.00 57.88 57.60 2c9t h LEU 11 Cb 0.37 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2c9t h LEU 11 CO 0.01 1.28 -1.81 0.49 0.09 0.00 0.00 178.44 178.50 2c9t n PHE 12 N -3.50 0.00 1.00 1.13 3.72 -0.53 -4.70 117.46 114.58 2c9t n PHE 12 Ca -0.07 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.43 2c9t n PHE 12 Cb 1.00 -0.56 -0.12 0.00 -0.94 0.00 0.00 39.48 38.87 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 -2.38 1.03 -0.00 4.37 4.13 -0.67 -4.44 115.26 117.30 2c9t n ASN 13 Ca -0.17 -1.02 -0.09 0.00 1.68 0.00 0.00 54.58 54.98 2c9t n ASN 13 Cb 0.81 0.98 -0.14 0.00 -1.54 0.00 0.00 39.78 39.90 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 0.08 0.02 -5.13 3.52 3.08 -1.72 -3.49 114.38 110.74 2c9t h ARG 14 Ca 0.00 -0.03 -0.44 0.00 0.07 0.00 0.00 59.98 59.58 2c9t h ARG 14 Cb 0.51 0.01 -0.14 0.00 0.08 0.00 0.00 29.97 30.43 2c9t h ARG 14 CO 0.00 0.63 -0.61 -1.12 -1.07 0.00 0.00 179.97 177.80 2c9t s SER 15 N -6.27 2.04 0.59 7.04 0.01 -1.26 -5.14 113.70 110.71 2c9t s SER 15 Ca -0.04 -1.39 -0.16 0.00 1.31 0.00 0.00 55.95 55.67 2c9t s SER 15 Cb 0.08 -0.00 -0.03 0.00 0.21 0.00 0.00 66.02 66.28 2c9t s SER 15 CO 0.82 -0.65 1.07 -2.84 0.41 0.00 0.00 173.24 172.05 2c9t s PRO 16 N -3.93 3.26 0.74 12.44 0.02 -1.26 -4.97 135.00 141.30 2c9t s PRO 16 Ca 0.37 1.27 -0.14 0.00 0.02 0.00 0.00 61.00 62.51 2c9t s PRO 16 Cb 0.08 -2.02 0.05 0.00 0.02 0.00 0.00 34.50 32.63 2c9t s PRO 16 CO 0.15 -0.86 1.20 1.41 -0.33 0.00 0.00 177.00 178.56 2c9t s MET 17 N -3.98 2.08 0.07 5.54 1.75 -1.26 -4.88 119.30 118.62 2c9t s MET 17 Ca 0.65 1.71 -0.33 0.00 -1.25 0.00 0.00 55.69 56.47 2c9t s MET 17 Cb -0.17 -1.83 -0.12 0.00 2.84 0.00 0.00 34.83 35.54 2c9t s MET 17 CO 0.36 -1.87 1.75 0.98 -0.65 0.00 0.00 175.02 175.58 2c9t n TYR 18 N -2.85 2.38 1.79 4.11 9.36 -1.26 -4.88 117.16 125.82 2c9t n TYR 18 Ca 0.13 0.07 0.04 0.00 3.32 0.00 0.00 57.90 61.46 2c9t n TYR 18 Cb 0.50 -2.63 0.18 0.00 -0.63 0.00 0.00 39.34 36.76 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 5.06 1.16 0.00 2.98 -0.04 -1.26 -4.80 135.00 138.10 2c9t n PRO 19 Ca 0.19 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2c9t n PRO 19 Cb 0.31 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.69 -1.03 3.81 0.55 0.00 -1.26 -4.99 105.19 102.96 2c9t n GLY 20 Ca 0.06 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.89 3.43 0.41 1.61 0.04 -1.26 -5.04 135.00 132.30 2c9t s PRO 21 Ca 0.00 1.17 0.03 0.00 0.04 0.00 0.00 61.00 62.24 2c9t s PRO 21 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2c9t s PRO 21 CO 0.00 -0.72 0.07 0.95 0.04 0.00 0.00 177.00 177.34 2c9t s THR 22 N -2.47 1.03 0.23 1.26 -4.23 -1.01 -4.97 115.64 105.48 2c9t s THR 22 Ca 0.63 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.48 2c9t s THR 22 Cb -0.15 -2.50 0.35 0.00 1.34 0.00 0.00 72.50 71.54 2c9t s THR 22 CO 0.36 0.00 2.05 0.07 -0.54 0.00 0.00 174.62 176.56 2c9t h LYS 23 N 1.78 0.00 0.00 3.99 2.10 -1.92 -1.82 116.57 120.71 2c9t h LYS 23 Ca -0.40 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.06 2c9t h LYS 23 Cb 1.27 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.57 2c9t h LYS 23 CO 0.67 0.00 -1.45 -0.44 -2.00 0.00 0.00 179.45 176.23 2c9t h ASP 24 N 0.00 0.00 -2.14 7.07 3.32 -1.96 -3.41 116.42 119.31 2c9t h ASP 24 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 2c9t h ASP 24 Cb 0.10 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.25 2c9t h ASP 24 CO 0.00 0.67 -0.90 -0.67 -1.72 0.00 0.00 179.24 176.62 2c9t n ASP 25 N -2.94 1.46 -4.86 6.45 2.03 -0.75 -5.11 116.55 112.84 2c9t n ASP 25 Ca -0.11 -2.95 -0.31 0.00 0.52 0.00 0.00 54.79 51.95 2c9t n ASP 25 Cb 0.88 -0.65 0.02 0.00 -0.72 0.00 0.00 41.12 40.65 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 -1.55 3.47 -0.01 -0.67 0.04 -0.82 -2.40 135.00 133.07 2c9t s PRO 26 Ca 0.36 0.80 0.02 0.00 0.04 0.00 0.00 61.00 62.23 2c9t s PRO 26 Cb 0.14 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 2c9t s PRO 26 CO -0.09 -0.67 -0.08 -1.17 0.04 0.00 0.00 177.00 175.03 2c9t s LEU 27 N -5.22 2.01 -0.22 -3.56 2.96 -0.28 -4.98 118.68 109.40 2c9t s LEU 27 Ca 0.56 -0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 54.23 2c9t s LEU 27 Cb -0.12 -0.42 -0.05 0.00 0.50 0.00 0.00 46.19 46.11 2c9t s LEU 27 CO 0.53 0.10 0.13 -0.89 -1.32 0.00 0.00 176.35 174.90 2c9t s THR 28 N -0.19 5.15 -0.16 3.68 2.01 -1.26 -0.53 115.64 124.33 2c9t s THR 28 Ca 0.03 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.11 2c9t s THR 28 Cb -0.03 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 2c9t s THR 28 CO -0.00 0.38 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.54 2c9t s VAL 29 N 0.87 3.44 -0.22 3.82 1.01 0.47 -4.42 120.40 125.37 2c9t s VAL 29 Ca 0.06 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 2c9t s VAL 29 Cb -0.13 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2c9t s VAL 29 CO 0.03 0.49 0.10 -0.89 0.00 0.00 0.00 175.10 174.82 2c9t s THR 30 N 0.66 4.93 -0.09 3.92 2.01 -0.06 -1.18 115.64 125.83 2c9t s THR 30 Ca -0.04 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.00 2c9t s THR 30 Cb -0.15 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.07 2c9t s THR 30 CO 0.02 0.40 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.49 2c9t s LEU 31 N 0.84 2.94 0.01 4.42 1.43 0.16 -1.60 118.68 126.89 2c9t s LEU 31 Ca 0.05 -0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 52.92 2c9t s LEU 31 Cb -0.13 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2c9t s LEU 31 CO 0.02 0.29 0.16 -0.83 0.23 0.00 0.00 176.35 176.22 2c9t s GLY 32 N -0.39 0.05 -0.10 -3.19 0.00 -0.63 -4.38 107.32 98.68 2c9t s GLY 32 Ca 0.05 -0.20 0.02 0.00 0.00 0.00 0.00 44.72 44.59 2c9t s GLY 32 CO 0.02 -0.35 -0.18 -1.36 0.00 0.00 0.00 173.10 171.23 2c9t s PHE 33 N -1.81 2.68 -0.44 1.90 0.08 -1.26 -0.25 117.98 118.87 2c9t s PHE 33 Ca -0.11 -0.74 -0.08 0.00 0.12 0.00 0.00 56.93 56.11 2c9t s PHE 33 Cb -0.05 -1.75 0.10 0.00 -0.57 0.00 0.00 43.02 40.75 2c9t s PHE 33 CO -0.00 -0.25 0.29 0.99 -0.10 0.00 0.00 175.22 176.15 2c9t s THR 34 N 0.19 4.11 -0.15 0.64 2.01 -0.48 -2.03 115.64 119.93 2c9t s THR 34 Ca -0.11 -1.64 -0.28 0.00 0.31 0.00 0.00 61.69 59.97 2c9t s THR 34 Cb -0.16 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 2c9t s THR 34 CO 0.06 -0.64 0.94 -0.22 -0.69 0.00 0.00 174.62 174.07 2c9t s LEU 35 N 1.37 4.19 -0.26 4.42 2.96 -0.83 -0.36 118.68 130.17 2c9t s LEU 35 Ca 0.05 1.36 0.02 0.00 -0.22 0.00 0.00 54.13 55.34 2c9t s LEU 35 Cb -0.24 -3.43 -0.17 0.00 0.50 0.00 0.00 46.19 42.85 2c9t s LEU 35 CO 0.00 -0.47 -0.22 0.00 -1.32 0.00 0.00 176.35 174.34 2c9t n GLN 36 N 5.35 0.65 -3.64 1.98 6.02 -0.06 -3.52 117.38 124.17 2c9t n GLN 36 Ca 0.08 0.15 -0.08 0.00 -0.01 0.00 0.00 57.00 57.13 2c9t n GLN 36 Cb 0.48 -1.52 -0.07 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 -6.48 -0.60 -0.46 1.08 2.15 -0.84 -0.31 116.67 111.21 2c9t s ASP 37 Ca -0.34 1.07 -0.21 0.00 0.43 0.00 0.00 52.55 53.50 2c9t s ASP 37 Cb 0.09 1.15 0.03 0.00 -0.30 0.00 0.00 42.92 43.89 2c9t s ASP 37 CO 0.60 -0.18 0.67 -0.63 -0.17 0.00 0.00 175.17 175.46 2c9t s ILE 38 N 0.70 4.79 -0.09 4.11 1.01 -1.26 -0.54 121.20 129.92 2c9t s ILE 38 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 60.65 60.44 2c9t s ILE 38 Cb -0.05 -4.26 -0.28 0.00 0.01 0.00 0.00 42.46 37.88 2c9t s ILE 38 CO -0.09 -0.70 0.68 0.58 0.00 0.00 0.00 174.94 175.41 2c9t h VAL 39 N 5.89 1.24 -3.03 2.92 2.07 -1.55 -3.39 116.25 120.39 2c9t h VAL 39 Ca -0.26 -2.44 -0.16 0.00 0.82 0.00 0.00 66.70 64.67 2c9t h VAL 39 Cb 1.09 2.90 -0.26 0.00 -1.52 0.00 0.00 31.29 33.51 2c9t h VAL 39 CO 0.93 0.69 -0.39 -0.75 0.02 0.00 0.00 177.57 178.07 2c9t s LYS 40 N -2.44 0.33 -0.02 1.57 2.20 -1.21 -4.88 119.74 115.29 2c9t s LYS 40 Ca -0.18 0.41 0.08 0.00 -0.36 0.00 0.00 55.97 55.92 2c9t s LYS 40 Cb 0.03 0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.47 2c9t s LYS 40 CO 0.78 -0.05 -0.25 0.08 -0.36 0.00 0.00 175.35 175.55 2c9t s VAL 41 N 0.24 2.13 -0.31 4.02 1.01 -1.26 -1.44 120.40 124.78 2c9t s VAL 41 Ca -0.01 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.89 2c9t s VAL 41 Cb -0.03 -1.74 0.10 0.00 0.00 0.00 0.00 36.38 34.71 2c9t s VAL 41 CO -0.00 0.58 0.08 -0.62 0.00 0.00 0.00 175.10 175.14 2c9t s ASP 42 N -0.62 4.15 0.00 3.32 -1.08 -0.78 -4.99 116.67 116.67 2c9t s ASP 42 Ca 0.10 -1.71 0.24 0.00 -0.52 0.00 0.00 52.55 50.66 2c9t s ASP 42 Cb -0.10 -1.02 1.08 0.00 -1.46 0.00 0.00 42.92 41.42 2c9t s ASP 42 CO -0.01 -0.40 1.77 -1.54 0.52 0.00 0.00 175.17 175.51 2c9t n SER 43 N 4.73 0.00 0.13 -0.34 3.41 -1.26 -1.49 113.62 118.79 2c9t n SER 43 Ca -0.01 0.29 0.06 0.00 -0.26 0.00 0.00 58.87 58.95 2c9t n SER 43 Cb 0.42 -0.42 0.03 0.00 -0.26 0.00 0.00 64.21 63.99 2c9t n SER 43 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2c9t h SER 44 N 0.00 0.00 -0.00 4.04 4.64 -1.96 -3.37 113.55 116.90 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 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2c9t h SER 44 CO 0.00 0.28 -0.13 0.35 -0.87 0.00 0.00 176.83 176.46 2c9t n THR 45 N -3.00 0.00 -3.79 2.95 -2.24 -1.18 -5.03 114.28 101.99 2c9t n THR 45 Ca -0.00 -0.44 -0.25 0.00 -2.27 0.00 0.00 64.05 61.09 2c9t n THR 45 Cb 0.66 1.02 0.01 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.79 -1.91 -4.32 3.42 4.13 -0.56 -4.91 115.26 110.33 2c9t n ASN 46 Ca 0.01 -0.94 -0.31 0.00 1.68 0.00 0.00 54.58 55.02 2c9t n ASN 46 Cb 0.06 -3.52 -0.16 0.00 -1.54 0.00 0.00 39.78 34.62 2c9t n ASN 46 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2c9t s GLU 47 N -6.17 2.32 0.05 3.52 2.02 -1.12 -0.76 118.70 118.55 2c9t s GLU 47 Ca 0.12 -0.89 0.08 0.00 0.02 0.00 0.00 54.97 54.30 2c9t s GLU 47 Cb -0.04 -2.13 -0.03 0.00 0.10 0.00 0.00 34.13 32.04 2c9t s GLU 47 CO 0.85 0.50 -0.21 0.08 0.02 0.00 0.00 175.26 176.50 2c9t s VAL 48 N -0.46 1.73 -0.18 2.63 1.01 -0.69 -1.87 120.40 122.57 2c9t s VAL 48 Ca 0.05 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.76 2c9t s VAL 48 Cb -0.11 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.76 2c9t s VAL 48 CO 0.01 0.19 -0.14 -1.81 0.00 0.00 0.00 175.10 173.35 2c9t s ASP 49 N -1.29 3.68 0.08 3.32 1.11 -0.52 -1.46 116.67 121.59 2c9t s ASP 49 Ca 0.08 -0.50 0.08 0.00 0.18 0.00 0.00 52.55 52.38 2c9t s ASP 49 Cb -0.09 -1.59 -0.04 0.00 1.07 0.00 0.00 42.92 42.28 2c9t s ASP 49 CO 0.02 0.03 -0.16 -0.76 1.18 0.00 0.00 175.17 175.48 2c9t s LEU 50 N 1.13 2.74 -0.13 1.23 1.43 -0.35 -1.28 118.68 123.45 2c9t s LEU 50 Ca 0.01 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2c9t s LEU 50 Cb -0.14 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2c9t s LEU 50 CO -0.05 0.21 -0.21 -0.69 0.23 0.00 0.00 176.35 175.85 2c9t s VAL 51 N -1.06 2.23 0.09 -1.59 1.01 0.30 -0.98 120.40 120.41 2c9t s VAL 51 Ca 0.17 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 2c9t s VAL 51 Cb -0.11 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.39 2c9t s VAL 51 CO 0.09 0.55 0.25 -0.72 0.00 0.00 0.00 175.10 175.26 2c9t s TYR 52 N 0.64 0.03 -0.12 5.22 -0.85 -0.93 -0.88 117.35 120.46 2c9t s TYR 52 Ca -0.11 -0.39 -0.14 0.00 -0.52 0.00 0.00 57.07 55.91 2c9t s TYR 52 Cb -0.16 0.04 -0.05 0.00 0.38 0.00 0.00 41.96 42.17 2c9t s TYR 52 CO 0.02 -0.57 0.33 0.71 -1.52 0.00 0.00 175.55 174.52 2c9t s TYR 53 N -3.65 3.52 -0.39 -3.49 2.02 0.52 -1.29 117.35 114.58 2c9t s TYR 53 Ca 0.03 0.70 -0.08 0.00 -0.37 0.00 0.00 57.07 57.34 2c9t s TYR 53 Cb 0.03 -2.34 0.06 0.00 -0.40 0.00 0.00 41.96 39.32 2c9t s TYR 53 CO -0.10 0.33 0.21 -2.00 -1.57 0.00 0.00 175.55 172.42 2c9t s GLU 54 N 0.13 2.61 -0.11 -0.62 2.12 -0.20 -1.38 118.70 121.24 2c9t s GLU 54 Ca 0.19 -1.36 -0.30 0.00 0.36 0.00 0.00 54.97 53.86 2c9t s GLU 54 Cb -0.14 -3.69 -0.02 0.00 0.26 0.00 0.00 34.13 30.54 2c9t s GLU 54 CO 0.06 -0.86 1.13 -0.65 -0.54 0.00 0.00 175.26 174.41 2c9t s GLN 55 N 1.42 4.34 -0.07 4.30 -0.21 0.65 -3.25 119.66 126.85 2c9t s GLN 55 Ca 0.02 1.54 0.03 0.00 0.02 0.00 0.00 55.36 56.98 2c9t s GLN 55 Cb -0.22 -3.60 0.00 0.00 1.00 0.00 0.00 33.01 30.20 2c9t s GLN 55 CO 0.03 -0.48 -0.18 -0.65 -2.12 0.00 0.00 175.29 171.89 2c9t s GLN 56 N 2.51 2.15 -0.02 2.91 -0.21 0.29 -1.60 119.66 125.69 2c9t s GLN 56 Ca 0.52 -0.62 0.01 0.00 0.02 0.00 0.00 55.36 55.29 2c9t s GLN 56 Cb -0.21 -1.74 0.01 0.00 1.00 0.00 0.00 33.01 32.08 2c9t s GLN 56 CO 0.17 0.15 -0.03 1.03 -2.12 0.00 0.00 175.29 174.48 2c9t s ARG 57 N 0.36 0.49 0.30 2.91 0.52 -0.62 -0.93 118.95 121.97 2c9t s ARG 57 Ca -0.12 -0.09 -0.06 0.00 -0.52 0.00 0.00 55.73 54.93 2c9t s ARG 57 Cb -0.15 -0.53 -0.00 0.00 0.52 0.00 0.00 34.95 34.79 2c9t s ARG 57 CO 0.05 -0.01 0.45 1.67 0.02 0.00 0.00 175.30 177.48 2c9t s TRP 58 N 0.47 0.79 -0.03 -0.53 -2.14 -0.66 -0.88 118.94 115.96 2c9t s TRP 58 Ca -0.05 -1.09 -0.00 0.00 2.66 0.00 0.00 56.10 57.62 2c9t s TRP 58 Cb -0.09 -0.00 0.03 0.00 -3.10 0.00 0.00 33.47 30.31 2c9t s TRP 58 CO -0.00 -1.05 0.05 0.21 -2.66 0.00 0.00 176.95 173.49 2c9t s LYS 59 N -3.47 -0.02 -0.07 3.25 2.20 -1.26 0.61 119.74 120.98 2c9t s LYS 59 Ca 0.28 0.22 0.05 0.00 -0.36 0.00 0.00 55.97 56.15 2c9t s LYS 59 Cb 0.00 -0.23 -0.00 0.00 -1.51 0.00 0.00 37.83 36.08 2c9t s LYS 59 CO 0.15 -0.17 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.24 2c9t s LEU 60 N 1.08 2.01 0.39 5.43 1.43 -0.42 -4.92 118.68 123.67 2c9t s LEU 60 Ca -0.09 -0.48 0.11 0.00 -1.03 0.00 0.00 54.13 52.64 2c9t s LEU 60 Cb -0.13 -1.26 0.80 0.00 0.03 0.00 0.00 46.19 45.64 2c9t s LEU 60 CO -0.03 0.18 1.90 0.78 0.23 0.00 0.00 176.35 179.41 2c9t h ASN 61 N 6.41 0.13 0.21 2.29 4.21 -1.88 -2.48 115.58 124.48 2c9t h ASN 61 Ca -0.27 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.21 2c9t h ASN 61 Cb 1.20 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.36 2c9t h ASN 61 CO 0.47 0.35 0.00 -1.54 -1.29 0.00 0.00 177.43 175.42 2c9t n SER 62 N -4.24 0.00 -0.70 5.81 3.41 -1.26 -2.17 113.62 114.47 2c9t n SER 62 Ca -0.01 0.48 0.07 0.00 -0.26 0.00 0.00 58.87 59.15 2c9t n SER 62 Cb 0.30 -0.49 0.14 0.00 -0.26 0.00 0.00 64.21 63.91 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 2.81 -4.81 1.04 4.77 -0.93 -4.99 117.00 113.40 2c9t n LEU 63 Ca 0.02 -1.69 -0.33 0.00 -0.03 0.00 0.00 56.01 53.97 2c9t n LEU 63 Cb 0.07 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 2c9t n LEU 63 CO 0.06 0.66 0.68 -0.04 -1.33 0.00 0.00 177.39 177.41 2c9t s MET 64 N -1.04 4.07 0.20 3.23 -1.94 -0.92 -4.04 119.30 118.86 2c9t s MET 64 Ca 0.24 1.22 -0.14 0.00 -1.71 0.00 0.00 55.69 55.30 2c9t s MET 64 Cb 0.14 -2.15 0.01 0.00 2.01 0.00 0.00 34.83 34.83 2c9t s MET 64 CO 0.18 -0.18 0.45 1.67 -0.01 0.00 0.00 175.02 177.14 2c9t s TRP 65 N -2.09 0.13 -0.36 -0.03 -2.14 -0.37 -4.95 118.94 109.13 2c9t s TRP 65 Ca 0.64 -0.49 -0.17 0.00 2.66 0.00 0.00 56.10 58.74 2c9t s TRP 65 Cb -0.12 0.23 -0.00 0.00 -3.10 0.00 0.00 33.47 30.48 2c9t s TRP 65 CO 0.16 -0.89 0.44 0.34 -2.66 0.00 0.00 176.95 174.33 2c9t s ASP 66 N -2.94 6.23 0.54 -2.66 -1.08 -1.26 -4.66 116.67 110.85 2c9t s ASP 66 Ca 0.15 -0.24 0.28 0.00 -0.52 0.00 0.00 52.55 52.21 2c9t s ASP 66 Cb 0.00 -2.23 1.44 0.00 -1.46 0.00 0.00 42.92 40.67 2c9t s ASP 66 CO 0.01 -0.45 1.95 -0.65 0.52 0.00 0.00 175.17 176.56 2c9t h PRO 67 N 8.52 0.00 -0.10 4.34 0.11 -1.94 -1.60 132.00 141.33 2c9t h PRO 67 Ca -0.28 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 2c9t h PRO 67 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2c9t h PRO 67 CO 0.75 0.00 -0.16 -0.91 -0.21 0.00 0.00 178.00 177.46 2c9t h ASN 68 N 0.00 0.16 0.76 -2.05 2.35 -1.93 0.23 115.58 115.10 2c9t h ASN 68 Ca 0.31 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2c9t h ASN 68 Cb 1.27 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.60 2c9t h ASN 68 CO -0.00 0.34 0.00 -0.62 -1.65 0.00 0.00 177.43 175.50 2c9t n GLU 69 N -4.27 0.07 -2.68 0.81 1.02 -0.60 -4.07 120.64 110.92 2c9t n GLU 69 Ca -0.01 0.08 -0.06 0.00 -0.02 0.00 0.00 57.16 57.15 2c9t n GLU 69 Cb 0.28 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.24 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 -1.46 1.53 -2.76 -0.32 4.01 -0.66 -4.97 117.16 112.52 2c9t n TYR 70 Ca 0.07 -2.29 -0.16 0.00 -0.16 0.00 0.00 57.90 55.36 2c9t n TYR 70 Cb 0.27 -0.26 0.02 0.00 -0.31 0.00 0.00 39.34 39.05 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 -0.52 -0.19 2.38 2.72 0.00 -1.17 -2.11 105.19 106.29 2c9t n GLY 71 Ca 0.14 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.30 -4.79 -4.68 1.61 3.02 0.74 -4.97 115.26 104.90 2c9t n ASN 72 Ca -0.09 0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 2c9t n ASN 72 Cb 0.59 -4.11 -0.03 0.00 -0.61 0.00 0.00 39.78 35.62 2c9t n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2c9t s ILE 73 N -2.71 3.30 -0.42 2.41 1.01 -0.90 -4.89 121.20 119.01 2c9t s ILE 73 Ca 0.00 0.58 0.19 0.00 0.00 0.00 0.00 60.65 61.42 2c9t s ILE 73 Cb 0.00 -3.37 -0.25 0.00 0.01 0.00 0.00 42.46 38.84 2c9t s ILE 73 CO 0.00 -0.02 0.59 0.35 0.00 0.00 0.00 174.94 175.86 2c9t n THR 74 N 5.08 0.00 -3.52 2.92 -2.24 -1.26 -4.30 114.28 110.95 2c9t n THR 74 Ca 0.16 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 2c9t n THR 74 Cb 0.42 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 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 -3.54 -0.39 0.22 3.42 -4.77 -1.26 -0.94 116.67 109.42 2c9t s ASP 75 Ca -0.00 0.16 -0.17 0.00 -3.30 0.00 0.00 52.55 49.23 2c9t s ASP 75 Cb 0.13 0.37 0.02 0.00 -1.09 0.00 0.00 42.92 42.35 2c9t s ASP 75 CO 0.78 -0.54 0.55 0.72 0.70 0.00 0.00 175.17 177.39 2c9t s PHE 76 N -2.42 -0.04 -0.07 2.11 -0.12 0.25 -4.99 117.98 112.70 2c9t s PHE 76 Ca 0.02 -0.33 0.01 0.00 -0.05 0.00 0.00 56.93 56.59 2c9t s PHE 76 Cb -0.01 0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 42.77 2c9t s PHE 76 CO -0.05 -1.00 -0.08 1.03 -0.05 0.00 0.00 175.22 175.08 2c9t s ARG 77 N -3.91 2.72 -0.03 1.99 3.00 -1.26 -0.58 118.95 120.88 2c9t s ARG 77 Ca 0.12 -0.57 -0.19 0.00 0.00 0.00 0.00 55.73 55.09 2c9t s ARG 77 Cb -0.02 -2.56 0.04 0.00 0.00 0.00 0.00 34.95 32.41 2c9t s ARG 77 CO 0.01 0.65 0.41 -0.08 0.00 0.00 0.00 175.30 176.29 2c9t s THR 78 N -0.78 0.04 0.09 0.02 -1.32 -0.47 -5.00 115.64 108.23 2c9t s THR 78 Ca 0.12 -0.34 -0.36 0.00 -1.21 0.00 0.00 61.69 59.90 2c9t s THR 78 Cb -0.11 -0.71 -0.18 0.00 -1.51 0.00 0.00 72.50 69.99 2c9t s THR 78 CO 0.01 -0.19 1.08 -0.24 -2.21 0.00 0.00 174.62 173.08 2c9t n SER 79 N 1.23 0.54 0.14 8.08 2.88 -1.26 -1.09 113.62 124.13 2c9t n SER 79 Ca -0.21 1.14 0.11 0.00 -1.33 0.00 0.00 58.87 58.58 2c9t n SER 79 Cb 0.56 -1.06 0.51 0.00 -0.75 0.00 0.00 64.21 63.47 2c9t n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2c9t n ALA 80 N 1.53 1.29 0.41 -1.46 0.00 -0.37 -1.36 120.51 120.55 2c9t n ALA 80 Ca 0.18 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.89 2c9t n ALA 80 Cb 0.17 -1.32 0.45 0.00 0.00 0.00 0.00 19.45 18.75 2c9t n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c9t h ALA 81 N 2.12 1.00 0.00 0.00 0.00 -1.88 -3.14 119.26 117.36 2c9t h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c9t h ALA 81 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2c9t h ALA 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 2c9t n ASP 82 N -2.58 0.31 -4.25 0.00 8.00 -0.47 -4.90 116.55 112.66 2c9t n ASP 82 Ca 0.03 0.53 -0.15 0.00 0.71 0.00 0.00 54.79 55.91 2c9t n ASP 82 Cb 0.36 -0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.74 2c9t n ASP 82 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2c9t s ILE 83 N -3.04 1.24 0.44 0.53 -4.36 -1.19 -5.00 121.20 109.83 2c9t s ILE 83 Ca 0.12 -1.98 -0.24 0.00 -0.26 0.00 0.00 60.65 58.29 2c9t s ILE 83 Cb 0.16 -1.77 -0.08 0.00 1.25 0.00 0.00 42.46 42.02 2c9t s ILE 83 CO 0.54 -0.66 1.26 0.86 0.24 0.00 0.00 174.94 177.18 2c9t s TRP 84 N -3.00 2.78 0.02 1.37 -0.00 -1.26 -4.95 118.94 113.89 2c9t s TRP 84 Ca 0.15 1.46 0.00 0.00 -0.00 0.00 0.00 56.10 57.71 2c9t s TRP 84 Cb 0.00 -3.58 -0.01 0.00 -0.00 0.00 0.00 33.47 29.88 2c9t s TRP 84 CO 0.02 -1.96 -0.03 0.95 -0.00 0.00 0.00 176.95 175.93 2c9t s THR 85 N -1.36 0.15 0.70 5.86 -4.23 -1.26 -5.09 115.64 110.41 2c9t s THR 85 Ca 0.61 -0.65 -0.14 0.00 -1.18 0.00 0.00 61.69 60.33 2c9t s THR 85 Cb -0.35 -0.24 0.02 0.00 1.34 0.00 0.00 72.50 73.27 2c9t s THR 85 CO 0.43 -0.32 1.13 -2.16 -0.54 0.00 0.00 174.62 173.17 2c9t s PRO 86 N -1.01 2.48 -0.68 3.99 0.04 -1.26 -4.93 135.00 133.63 2c9t s PRO 86 Ca -0.10 1.46 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 2c9t s PRO 86 Cb -0.07 -1.90 0.13 0.00 0.04 0.00 0.00 34.50 32.70 2c9t s PRO 86 CO -0.01 -1.51 2.54 -0.40 0.04 0.00 0.00 177.00 177.66 2c9t n ASP 87 N -2.72 6.94 -4.69 6.66 5.75 -1.26 -4.98 116.55 122.26 2c9t n ASP 87 Ca 0.11 -3.33 -0.42 0.00 -0.01 0.00 0.00 54.79 51.13 2c9t n ASP 87 Cb 0.52 -1.22 -0.03 0.00 -1.03 0.00 0.00 41.12 39.36 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 -2.70 3.89 -0.01 2.12 -1.09 -1.26 -2.77 121.20 119.39 2c9t s ILE 88 Ca 0.56 1.25 0.02 0.00 -2.23 0.00 0.00 60.65 60.24 2c9t s ILE 88 Cb 0.35 -3.80 -0.00 0.00 -1.58 0.00 0.00 42.46 37.43 2c9t s ILE 88 CO -0.24 -0.01 -0.05 -0.89 -1.23 0.00 0.00 174.94 172.52 2c9t s THR 89 N 2.46 0.43 0.13 2.92 2.01 0.27 -4.91 115.64 118.94 2c9t s THR 89 Ca 0.61 -0.22 -0.31 0.00 0.31 0.00 0.00 61.69 62.08 2c9t s THR 89 Cb -0.29 -0.38 -0.09 0.00 0.01 0.00 0.00 72.50 71.76 2c9t s THR 89 CO 0.25 0.13 1.48 0.00 -0.69 0.00 0.00 174.62 175.79 2c9t s ALA 90 N -0.02 3.67 -1.05 7.40 0.00 -1.26 -1.42 121.76 129.08 2c9t s ALA 90 Ca 0.01 1.22 0.26 0.00 0.00 0.00 0.00 51.96 53.44 2c9t s ALA 90 Cb -0.03 -3.58 0.61 0.00 0.00 0.00 0.00 23.12 20.11 2c9t s ALA 90 CO -0.00 -0.73 1.49 0.66 0.00 0.00 0.00 175.76 177.18 2c9t n TYR 91 N 4.13 0.00 -2.23 0.00 4.01 0.23 -4.08 117.16 119.22 2c9t n TYR 91 Ca 0.13 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.84 2c9t n TYR 91 Cb 0.41 -0.27 0.08 0.00 -0.31 0.00 0.00 39.34 39.24 2c9t n TYR 91 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2c9t n SER 92 N -1.45 2.25 -4.79 7.72 3.41 -1.26 -5.01 113.62 114.49 2c9t n SER 92 Ca 0.06 -2.93 -0.32 0.00 -0.26 0.00 0.00 58.87 55.42 2c9t n SER 92 Cb 0.34 -0.41 0.05 0.00 -0.26 0.00 0.00 64.21 63.92 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 -3.13 5.17 0.00 4.04 1.04 -1.26 -1.69 113.70 117.88 2c9t s SER 93 Ca 0.37 1.82 0.01 0.00 0.48 0.00 0.00 55.95 58.64 2c9t s SER 93 Cb 0.37 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.96 2c9t s SER 93 CO -0.06 -1.58 0.14 0.35 0.98 0.00 0.00 173.24 173.06 2c9t n THR 94 N -2.77 0.00 -3.96 2.02 -2.24 0.13 -4.83 114.28 102.62 2c9t n THR 94 Ca 0.09 -0.48 -0.08 0.00 -2.27 0.00 0.00 64.05 61.31 2c9t n THR 94 Cb 0.53 1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.92 0.68 0.04 -0.78 1.81 -1.25 -5.05 118.95 113.48 2c9t s ARG 95 Ca 0.01 -0.97 -0.36 0.00 -1.72 0.00 0.00 55.73 52.69 2c9t s ARG 95 Cb 0.01 0.26 -0.15 0.00 -0.45 0.00 0.00 34.95 34.62 2c9t s ARG 95 CO 0.04 -0.17 1.57 -2.30 -0.68 0.00 0.00 175.30 173.76 2c9t n PRO 96 N 0.30 1.70 -1.69 3.54 -0.02 -1.26 -4.70 135.00 132.86 2c9t n PRO 96 Ca -0.16 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 2c9t n PRO 96 Cb 0.61 -2.34 -0.01 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 3.56 1.98 -4.18 -1.45 0.31 -1.26 -4.90 118.33 112.40 2c9t n VAL 97 Ca 0.20 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.69 2c9t n VAL 97 Cb 0.24 -1.51 -0.10 0.00 -0.91 0.00 0.00 33.84 31.55 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 -1.83 3.76 -0.14 5.55 -0.21 -0.28 -4.95 119.66 121.56 2c9t s GLN 98 Ca 0.56 -0.40 -0.20 0.00 0.02 0.00 0.00 55.36 55.34 2c9t s GLN 98 Cb -0.58 -3.07 -0.03 0.00 1.00 0.00 0.00 33.01 30.33 2c9t s GLN 98 CO 0.62 0.32 0.56 0.08 -2.12 0.00 0.00 175.29 174.75 2c9t s VAL 99 N 0.19 5.11 -0.64 1.09 1.01 -1.26 -0.23 120.40 125.66 2c9t s VAL 99 Ca 0.02 1.10 0.10 0.00 0.00 0.00 0.00 61.98 63.20 2c9t s VAL 99 Cb -0.13 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 2c9t s VAL 99 CO 0.01 0.23 0.51 0.18 0.00 0.00 0.00 175.10 176.03 2c9t n LEU 100 N 4.24 0.73 -4.47 3.92 4.77 0.77 -4.97 117.00 122.00 2c9t n LEU 100 Ca -0.04 -0.59 -0.23 0.00 -0.03 0.00 0.00 56.01 55.12 2c9t n LEU 100 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2c9t n LEU 100 CO 0.44 0.16 -0.40 -0.94 -1.33 0.00 0.00 177.39 175.32 2c9t s SER 101 N -1.79 3.26 0.37 -1.43 1.04 -1.23 -4.92 113.70 109.00 2c9t s SER 101 Ca 0.05 -1.15 -0.27 0.00 0.48 0.00 0.00 55.95 55.06 2c9t s SER 101 Cb 0.08 -0.26 -0.12 0.00 0.10 0.00 0.00 66.02 65.83 2c9t s SER 101 CO 0.37 -0.20 1.29 -2.65 0.98 0.00 0.00 173.24 173.03 2c9t n PRO 102 N -0.65 2.10 -3.05 4.02 -0.02 -1.26 -4.90 135.00 131.24 2c9t n PRO 102 Ca -0.05 0.74 -0.44 0.00 -2.02 0.00 0.00 63.50 61.72 2c9t n PRO 102 Cb 0.63 -2.36 -0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2c9t n PRO 102 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2c9t s GLN 103 N -1.98 4.12 -0.02 -0.52 -1.52 -1.26 -4.90 119.66 113.57 2c9t s GLN 103 Ca 0.57 -2.74 0.01 0.00 -1.95 0.00 0.00 55.36 51.25 2c9t s GLN 103 Cb -0.55 -4.94 0.01 0.00 -0.22 0.00 0.00 33.01 27.32 2c9t s GLN 103 CO 0.61 -1.64 -0.04 0.42 -0.25 0.00 0.00 175.29 174.40 2c9t s ILE 104 N 0.87 0.39 0.27 1.08 1.01 -1.26 -1.23 121.20 122.32 2c9t s ILE 104 Ca 0.40 -0.12 0.10 0.00 0.00 0.00 0.00 60.65 61.02 2c9t s ILE 104 Cb -0.05 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 42.00 2c9t s ILE 104 CO -0.02 0.15 -0.02 0.00 0.00 0.00 0.00 174.94 175.05 2c9t s ALA 105 N 0.41 3.13 -0.16 9.38 0.00 -0.25 -4.54 121.76 129.73 2c9t s ALA 105 Ca -0.05 -1.68 -0.04 0.00 0.00 0.00 0.00 51.96 50.20 2c9t s ALA 105 Cb -0.08 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 2c9t s ALA 105 CO -0.00 0.26 -0.04 0.08 0.00 0.00 0.00 175.76 176.06 2c9t s VAL 106 N -2.35 3.80 -0.08 0.00 1.01 -0.29 -1.36 120.40 121.13 2c9t s VAL 106 Ca 0.31 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2c9t s VAL 106 Cb -0.06 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 2c9t s VAL 106 CO 0.19 0.48 -0.19 -0.69 0.00 0.00 0.00 175.10 174.90 2c9t s VAL 107 N 0.51 2.61 0.23 2.92 1.01 0.26 -1.51 120.40 126.42 2c9t s VAL 107 Ca -0.03 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.17 2c9t s VAL 107 Cb -0.14 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2c9t s VAL 107 CO 0.03 0.56 0.02 -0.89 0.00 0.00 0.00 175.10 174.82 2c9t s THR 108 N -0.11 3.68 0.24 3.92 2.01 -0.16 -0.59 115.64 124.64 2c9t s THR 108 Ca -0.03 -1.65 0.31 0.00 0.31 0.00 0.00 61.69 60.62 2c9t s THR 108 Cb -0.14 -2.92 0.33 0.00 0.01 0.00 0.00 72.50 69.78 2c9t s THR 108 CO 0.04 -0.26 2.01 1.12 -0.69 0.00 0.00 174.62 176.83 2c9t h HIS 109 N 2.17 0.00 0.00 4.92 2.07 -1.34 0.47 115.15 123.44 2c9t h HIS 109 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 2c9t h HIS 109 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 2c9t h HIS 109 CO 0.64 0.09 0.00 -0.40 -3.07 0.00 0.00 177.93 175.19 2c9t n ASP 110 N -3.29 0.00 0.00 3.10 5.75 -1.26 -1.23 116.55 119.62 2c9t n ASP 110 Ca -0.00 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 54.09 2c9t n ASP 110 Cb 0.30 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.63 0.70 3.77 6.12 0.00 0.16 -4.69 105.19 111.88 2c9t n GLY 111 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.77 6.43 -0.03 1.61 0.01 -1.23 -1.31 113.70 116.41 2c9t s SER 112 Ca 0.00 2.48 0.04 0.00 1.31 0.00 0.00 55.95 59.79 2c9t s SER 112 Cb 0.00 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 2c9t s SER 112 CO 0.00 -0.75 -0.16 -0.69 0.41 0.00 0.00 173.24 172.05 2c9t s VAL 113 N -1.34 1.33 -0.16 3.43 1.01 0.20 -0.98 120.40 123.89 2c9t s VAL 113 Ca 0.57 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 2c9t s VAL 113 Cb -0.34 -1.14 0.04 0.00 0.00 0.00 0.00 36.38 34.95 2c9t s VAL 113 CO 0.43 0.38 -0.04 -0.04 0.00 0.00 0.00 175.10 175.84 2c9t s MET 114 N -0.10 1.28 -0.08 2.72 -1.94 -0.57 -1.66 119.30 118.95 2c9t s MET 114 Ca -0.00 -0.47 0.03 0.00 -1.71 0.00 0.00 55.69 53.54 2c9t s MET 114 Cb -0.09 -1.95 0.01 0.00 2.01 0.00 0.00 34.83 34.80 2c9t s MET 114 CO 0.01 -0.45 -0.18 0.12 -0.01 0.00 0.00 175.02 174.51 2c9t s PHE 115 N 1.68 1.99 -0.50 -0.03 5.36 -0.11 -1.14 117.98 125.24 2c9t s PHE 115 Ca 0.01 -0.76 0.06 0.00 -0.96 0.00 0.00 56.93 55.27 2c9t s PHE 115 Cb -0.15 -1.37 0.20 0.00 -0.34 0.00 0.00 43.02 41.36 2c9t s PHE 115 CO -0.07 -0.33 0.48 -0.89 -1.46 0.00 0.00 175.22 172.95 2c9t n ILE 116 N 3.60 0.00 -2.29 3.12 5.41 -1.26 -0.54 119.36 127.41 2c9t n ILE 116 Ca -0.21 -4.13 -0.42 0.00 1.00 0.00 0.00 62.75 58.99 2c9t n ILE 116 Cb 0.52 -1.91 -0.03 0.00 -0.71 0.00 0.00 39.64 37.52 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 -0.97 4.32 0.11 0.38 0.04 -1.20 -4.76 135.00 132.93 2c9t s PRO 117 Ca 0.33 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 2c9t s PRO 117 Cb 0.08 -3.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.08 2c9t s PRO 117 CO -0.14 -0.48 1.04 0.00 0.04 0.00 0.00 177.00 177.46 2c9t s ALA 118 N 1.95 3.29 -0.00 8.56 0.00 -1.26 -1.04 121.76 133.26 2c9t s ALA 118 Ca 0.62 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.26 2c9t s ALA 118 Cb -0.31 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.48 2c9t s ALA 118 CO 0.27 -0.18 -0.01 -0.65 0.00 0.00 0.00 175.76 175.19 2c9t s GLN 119 N 0.21 0.06 -0.20 0.00 -0.21 -0.41 -0.16 119.66 118.94 2c9t s GLN 119 Ca 0.50 -0.02 -0.08 0.00 0.02 0.00 0.00 55.36 55.77 2c9t s GLN 119 Cb -0.26 -0.07 -0.04 0.00 1.00 0.00 0.00 33.01 33.64 2c9t s GLN 119 CO 0.31 0.01 0.09 0.50 -2.12 0.00 0.00 175.29 174.09 2c9t s ARG 120 N 0.00 4.00 -0.11 2.91 3.52 0.68 -2.18 118.95 127.77 2c9t s ARG 120 Ca 0.00 -0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.30 2c9t s ARG 120 Cb -0.01 -3.32 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 2c9t s ARG 120 CO -0.00 0.20 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.37 2c9t s LEU 121 N 0.59 1.72 -0.18 -0.88 2.96 -0.15 -1.12 118.68 121.62 2c9t s LEU 121 Ca 0.05 -0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 53.38 2c9t s LEU 121 Cb -0.13 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.41 2c9t s LEU 121 CO 0.01 0.01 0.33 -0.44 -1.32 0.00 0.00 176.35 174.93 2c9t s SER 122 N 1.06 6.42 0.16 3.68 0.01 -1.26 -1.21 113.70 122.56 2c9t s SER 122 Ca -0.05 0.49 -0.03 0.00 1.31 0.00 0.00 55.95 57.67 2c9t s SER 122 Cb -0.15 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 2c9t s SER 122 CO -0.03 0.03 0.13 0.72 0.41 0.00 0.00 173.24 174.50 2c9t s PHE 123 N 0.85 0.81 -0.14 2.43 -0.12 -0.53 -0.70 117.98 120.58 2c9t s PHE 123 Ca 0.17 -1.16 -0.29 0.00 -0.05 0.00 0.00 56.93 55.60 2c9t s PHE 123 Cb -0.14 -0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 41.83 2c9t s PHE 123 CO 0.06 -0.60 1.46 -1.64 -0.05 0.00 0.00 175.22 174.45 2c9t s MET 124 N -4.05 4.13 -0.30 1.99 -1.94 -0.68 -1.70 119.30 116.75 2c9t s MET 124 Ca 0.26 1.84 -0.08 0.00 -1.71 0.00 0.00 55.69 55.99 2c9t s MET 124 Cb 0.06 -3.89 0.14 0.00 2.01 0.00 0.00 34.83 33.15 2c9t s MET 124 CO 0.04 -0.86 0.65 0.00 -0.01 0.00 0.00 175.02 174.84 2c9t s ASP 126 N 2.88 6.39 -0.05 0.00 -1.08 -1.26 -3.35 116.67 120.20 2c9t s ASP 126 Ca -0.01 -0.15 0.06 0.00 -0.52 0.00 0.00 52.55 51.93 2c9t s ASP 126 Cb -0.12 -2.48 0.27 0.00 -1.46 0.00 0.00 42.92 39.12 2c9t s ASP 126 CO -0.19 -1.32 1.03 -0.81 0.52 0.00 0.00 175.17 174.40 2c9t n PRO 127 N 7.82 2.08 -1.68 4.34 -0.04 -1.26 -4.85 135.00 141.41 2c9t n PRO 127 Ca 0.05 -1.04 -0.45 0.00 -0.04 0.00 0.00 63.50 62.02 2c9t n PRO 127 Cb 0.48 -1.56 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.23 0.51 -0.07 0.52 -1.04 -1.26 -2.04 114.28 111.13 2c9t n THR 128 Ca 0.09 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2c9t n THR 128 Cb 0.45 -2.03 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 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 4.29 0.93 0.19 3.41 0.00 -1.26 -4.74 105.19 108.01 2c9t n GLY 129 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.27 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 0.98 0.00 1.61 3.04 -1.59 -2.73 116.25 117.55 2c9t h VAL 130 Ca 0.00 -1.44 0.00 0.00 -1.01 0.00 0.00 66.70 64.25 2c9t h VAL 130 Cb 0.00 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 2c9t h VAL 130 CO 0.00 0.37 0.00 -0.90 -1.01 0.00 0.00 177.57 176.03 2c9t n ASP 131 N -3.67 0.00 -4.97 3.17 5.75 -1.26 0.36 116.55 115.93 2c9t n ASP 131 Ca -0.01 -0.40 -0.19 0.00 -0.01 0.00 0.00 54.79 54.18 2c9t n ASP 131 Cb 0.47 -0.15 0.05 0.00 -1.03 0.00 0.00 41.12 40.46 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 -2.30 5.19 0.15 -1.12 1.04 -1.03 -4.86 113.70 110.77 2c9t s SER 132 Ca 0.30 -0.55 -0.05 0.00 0.48 0.00 0.00 55.95 56.13 2c9t s SER 132 Cb 0.17 -0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 2c9t s SER 132 CO 0.33 -1.21 1.37 -0.08 0.98 0.00 0.00 173.24 174.63 2c9t h GLU 133 N 0.21 0.49 0.00 4.02 4.81 -1.88 -3.18 114.58 119.05 2c9t h GLU 133 Ca -0.35 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.44 2c9t h GLU 133 Cb 1.28 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.76 2c9t h GLU 133 CO 0.43 1.07 0.00 0.93 -0.73 0.00 0.00 179.01 180.71 2c9t h GLU 134 N 0.32 0.00 0.00 1.92 4.39 -1.96 -3.49 114.58 115.76 2c9t h GLU 134 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2c9t h GLU 134 Cb 1.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 2c9t h GLU 134 CO 0.14 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.40 2c9t n GLY 135 N 0.53 1.82 3.53 -3.84 0.00 -1.20 -4.88 105.19 101.15 2c9t n GLY 135 Ca 0.02 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 -0.15 1.61 0.11 -0.15 -4.29 120.40 117.53 2c9t s VAL 136 Ca 0.00 -0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 58.97 2c9t s VAL 136 Cb 0.00 -0.94 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 2c9t s VAL 136 CO 0.00 -0.02 0.02 -0.89 -3.33 0.00 0.00 175.10 170.88 2c9t s THR 137 N -0.47 4.41 0.11 5.04 2.01 -1.26 -1.14 115.64 124.34 2c9t s THR 137 Ca -0.06 -0.18 0.08 0.00 0.31 0.00 0.00 61.69 61.84 2c9t s THR 137 Cb -0.03 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 2c9t s THR 137 CO 0.05 0.51 -0.19 0.00 -0.69 0.00 0.00 174.62 174.30 2c9t s ALA 139 N -1.34 0.62 -0.01 0.00 0.00 -1.26 -0.60 121.76 119.17 2c9t s ALA 139 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2c9t s ALA 139 Cb -0.09 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2c9t s ALA 139 CO 0.04 0.08 0.02 0.54 0.00 0.00 0.00 175.76 176.43 2c9t s VAL 140 N -0.76 -0.01 0.03 0.00 0.11 -0.50 -4.91 120.40 114.35 2c9t s VAL 140 Ca -0.03 0.12 -0.16 0.00 -2.93 0.00 0.00 61.98 58.98 2c9t s VAL 140 Cb -0.06 -0.07 -0.06 0.00 -1.53 0.00 0.00 36.38 34.65 2c9t s VAL 140 CO 0.00 0.06 0.46 -0.54 -3.33 0.00 0.00 175.10 171.76 2c9t s LYS 141 N 0.66 4.01 -0.03 1.54 1.02 -1.26 -1.43 119.74 124.26 2c9t s LYS 141 Ca -0.06 0.52 0.06 0.00 0.02 0.00 0.00 55.97 56.52 2c9t s LYS 141 Cb -0.08 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 2c9t s LYS 141 CO -0.02 0.67 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.82 2c9t s PHE 142 N -1.09 2.49 0.06 3.18 0.08 -0.03 -0.60 117.98 122.06 2c9t s PHE 142 Ca 0.26 -0.32 -0.26 0.00 0.12 0.00 0.00 56.93 56.73 2c9t s PHE 142 Cb -0.18 -1.54 0.09 0.00 -0.57 0.00 0.00 43.02 40.82 2c9t s PHE 142 CO 0.15 0.07 1.19 0.20 -0.10 0.00 0.00 175.22 176.74 2c9t s GLY 143 N -0.73 -0.06 0.51 4.36 0.00 -0.51 -1.40 107.32 109.49 2c9t s GLY 143 Ca 0.11 -0.05 -0.22 0.00 0.00 0.00 0.00 44.72 44.55 2c9t s GLY 143 CO 0.00 4.05 1.31 -0.45 0.00 0.00 0.00 173.10 178.01 2c9t s SER 144 N -3.60 5.58 0.06 1.64 0.15 -1.26 -0.57 113.70 115.70 2c9t s SER 144 Ca 0.25 2.64 0.06 0.00 0.70 0.00 0.00 55.95 59.60 2c9t s SER 144 Cb -0.01 -2.63 -0.23 0.00 -1.71 0.00 0.00 66.02 61.44 2c9t s SER 144 CO 0.01 -1.35 1.06 -0.25 1.20 0.00 0.00 173.24 173.92 2c9t h TRP 145 N 1.70 0.12 0.00 3.44 2.91 -1.88 -3.42 115.95 118.82 2c9t h TRP 145 Ca -0.50 -0.09 0.00 0.00 1.13 0.00 0.00 58.89 59.43 2c9t h TRP 145 Cb 1.28 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 2c9t h TRP 145 CO 0.48 1.09 -0.27 1.33 -1.03 0.00 0.00 178.44 180.04 2c9t n VAL 146 N -3.32 0.00 -4.44 2.65 0.24 -1.26 -5.06 118.33 107.14 2c9t n VAL 146 Ca -0.07 -0.30 -0.34 0.00 -2.04 0.00 0.00 64.34 61.60 2c9t n VAL 146 Cb 0.99 0.82 -0.12 0.00 -1.47 0.00 0.00 33.84 34.06 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 -1.14 3.00 0.92 6.34 2.02 -1.26 -5.11 117.35 122.12 2c9t s TYR 147 Ca 0.00 -0.34 -0.13 0.00 -0.37 0.00 0.00 57.07 56.23 2c9t s TYR 147 Cb 0.00 -1.95 0.15 0.00 -0.40 0.00 0.00 41.96 39.76 2c9t s TYR 147 CO 0.00 -0.06 1.16 -1.54 -1.57 0.00 0.00 175.55 173.54 2c9t s SER 148 N 0.37 3.40 0.27 2.29 1.04 -1.26 -4.68 113.70 115.12 2c9t s SER 148 Ca -0.05 0.83 0.20 0.00 0.48 0.00 0.00 55.95 57.42 2c9t s SER 148 Cb -0.14 -1.31 1.00 0.00 0.10 0.00 0.00 66.02 65.67 2c9t s SER 148 CO 0.03 -2.60 1.62 0.61 0.98 0.00 0.00 173.24 173.88 2c9t n GLY 149 N -2.45 -0.98 0.25 7.32 0.00 0.98 -0.97 105.19 109.33 2c9t n GLY 149 Ca 0.08 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.37 2c9t n GLY 149 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2c9t n PHE 150 N -2.17 0.05 0.00 1.61 3.72 -1.26 -3.81 117.46 115.60 2c9t n PHE 150 Ca 0.00 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2c9t n PHE 150 Cb 0.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 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 -0.34 0.00 -4.04 -1.08 1.02 -0.60 -3.93 120.64 111.67 2c9t n GLU 151 Ca 0.18 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 57.00 2c9t n GLU 151 Cb 0.21 -0.32 -0.15 0.00 -0.02 0.00 0.00 31.44 31.16 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 -2.00 2.29 0.02 -3.67 1.01 -0.15 -1.12 121.20 117.58 2c9t s ILE 152 Ca 0.00 -1.79 -0.29 0.00 0.00 0.00 0.00 60.65 58.57 2c9t s ILE 152 Cb 0.00 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 2c9t s ILE 152 CO 0.00 -0.18 0.93 -0.62 0.00 0.00 0.00 174.94 175.07 2c9t s ASP 153 N 1.08 7.35 -0.13 3.58 2.15 0.30 -3.91 116.67 127.09 2c9t s ASP 153 Ca -0.04 1.63 -0.04 0.00 0.43 0.00 0.00 52.55 54.53 2c9t s ASP 153 Cb -0.20 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.84 2c9t s ASP 153 CO -0.05 -0.18 0.02 -0.76 -0.17 0.00 0.00 175.17 174.02 2c9t s LEU 154 N 0.68 3.61 0.07 -1.34 1.43 -1.26 -0.40 118.68 121.48 2c9t s LEU 154 Ca 0.48 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 2c9t s LEU 154 Cb -0.21 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2c9t s LEU 154 CO 0.27 0.27 -0.05 -0.75 0.23 0.00 0.00 176.35 176.32 2c9t s LYS 155 N -0.23 0.70 0.17 1.70 2.20 -0.33 -4.95 119.74 119.00 2c9t s LYS 155 Ca 0.06 -1.19 0.09 0.00 -0.36 0.00 0.00 55.97 54.57 2c9t s LYS 155 Cb -0.12 -0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.08 2c9t s LYS 155 CO 0.02 -0.04 -0.19 0.95 -0.36 0.00 0.00 175.35 175.73 2c9t s THR 156 N -3.32 1.89 -0.55 3.43 -4.23 -1.26 -0.67 115.64 110.93 2c9t s THR 156 Ca 0.06 -1.92 0.24 0.00 -1.18 0.00 0.00 61.69 58.89 2c9t s THR 156 Cb 0.03 -1.87 0.17 0.00 1.34 0.00 0.00 72.50 72.17 2c9t s THR 156 CO -0.05 -0.28 1.46 0.44 -0.54 0.00 0.00 174.62 175.64 2c9t h ASP 157 N 3.27 0.00 -4.64 3.99 3.32 -1.97 -3.48 116.42 116.91 2c9t h ASP 157 Ca -0.43 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 2c9t h ASP 157 Cb 1.21 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.55 2c9t h ASP 157 CO 0.50 0.04 0.28 0.28 -1.72 0.00 0.00 179.24 178.61 2c9t s THR 158 N -3.19 0.00 -2.20 0.35 -1.32 -1.26 -5.01 115.64 103.00 2c9t s THR 158 Ca 0.06 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.79 2c9t s THR 158 Cb 0.11 -1.00 0.60 0.00 -1.51 0.00 0.00 72.50 70.69 2c9t s THR 158 CO 0.69 0.00 1.78 -0.90 -2.21 0.00 0.00 174.62 173.98 2c9t n ASP 159 N 1.08 0.86 -4.50 8.08 5.75 -1.26 -4.72 116.55 121.84 2c9t n ASP 159 Ca -0.16 -1.43 -0.37 0.00 -0.01 0.00 0.00 54.79 52.81 2c9t n ASP 159 Cb 0.57 -0.03 -0.12 0.00 -1.03 0.00 0.00 41.12 40.51 2c9t n ASP 159 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2c9t s GLN 160 N -1.94 3.72 0.29 0.11 -1.52 -1.26 -0.89 119.66 118.17 2c9t s GLN 160 Ca 0.36 -0.45 -0.29 0.00 -1.95 0.00 0.00 55.36 53.02 2c9t s GLN 160 Cb 0.18 -3.50 -0.10 0.00 -0.22 0.00 0.00 33.01 29.37 2c9t s GLN 160 CO 0.29 -0.22 1.37 0.08 -0.25 0.00 0.00 175.29 176.55 2c9t s VAL 161 N 1.67 2.71 -0.36 1.09 1.01 -0.58 -4.85 120.40 121.09 2c9t s VAL 161 Ca 0.06 0.65 -0.29 0.00 0.00 0.00 0.00 61.98 62.41 2c9t s VAL 161 Cb -0.16 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2c9t s VAL 161 CO 0.07 0.13 1.43 -0.62 0.00 0.00 0.00 175.10 176.11 2c9t s ASP 162 N -0.06 6.39 0.00 3.32 2.15 -0.86 -4.88 116.67 122.73 2c9t s ASP 162 Ca 0.54 1.03 0.17 0.00 0.43 0.00 0.00 52.55 54.72 2c9t s ASP 162 Cb -0.41 -2.54 0.22 0.00 -0.30 0.00 0.00 42.92 39.89 2c9t s ASP 162 CO 0.48 -1.35 1.12 0.18 -0.17 0.00 0.00 175.17 175.44 2c9t n LEU 163 N 8.60 2.65 0.19 -1.34 4.77 -1.26 -1.97 117.00 128.64 2c9t n LEU 163 Ca 0.17 -1.25 0.13 0.00 -0.03 0.00 0.00 56.01 55.03 2c9t n LEU 163 Cb 0.47 -0.09 0.71 0.00 -2.33 0.00 0.00 43.42 42.18 2c9t n LEU 163 CO 0.68 0.53 1.11 0.77 -1.33 0.00 0.00 177.39 179.16 2c9t h SER 164 N 3.24 0.00 -0.60 -1.43 4.64 -1.89 0.23 113.55 117.73 2c9t h SER 164 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c9t h SER 164 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2c9t h SER 164 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 2c9t n SER 165 N -4.32 4.60 -4.74 4.97 7.64 -1.26 -5.00 113.62 115.50 2c9t n SER 165 Ca 0.01 -2.46 -0.41 0.00 1.01 0.00 0.00 58.87 57.02 2c9t n SER 165 Cb 0.25 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 2c9t n SER 165 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2c9t s TYR 166 N -1.86 3.16 -0.18 1.43 5.04 0.07 -4.63 117.35 120.37 2c9t s TYR 166 Ca 0.49 1.17 -0.29 0.00 -2.44 0.00 0.00 57.07 56.00 2c9t s TYR 166 Cb 0.32 -3.68 -0.05 0.00 0.35 0.00 0.00 41.96 38.89 2c9t s TYR 166 CO 0.23 -2.15 2.03 -0.47 -1.34 0.00 0.00 175.55 173.85 2c9t s TYR 167 N -0.04 1.40 0.45 4.97 5.04 0.58 -4.86 117.35 124.90 2c9t s TYR 167 Ca 0.57 0.34 0.12 0.00 -2.44 0.00 0.00 57.07 55.66 2c9t s TYR 167 Cb -0.39 -4.03 1.04 0.00 0.35 0.00 0.00 41.96 38.94 2c9t s TYR 167 CO 0.41 -4.08 2.07 0.00 -1.34 0.00 0.00 175.55 172.61 2c9t h ALA 168 N 13.26 1.90 -0.48 3.97 0.00 -1.90 -2.28 119.26 133.72 2c9t h ALA 168 Ca -0.41 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 2c9t h ALA 168 Cb 1.22 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 2c9t h ALA 168 CO 0.97 0.06 0.08 0.43 0.00 0.00 0.00 179.25 180.79 2c9t n SER 169 N -4.49 2.86 -4.63 0.00 7.64 -1.26 -5.02 113.62 108.73 2c9t n SER 169 Ca 0.03 -3.69 -0.35 0.00 1.01 0.00 0.00 58.87 55.87 2c9t n SER 169 Cb 0.16 -0.67 0.11 0.00 -1.01 0.00 0.00 64.21 62.79 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 -1.07 0.45 0.24 6.43 2.88 -0.86 -4.91 113.62 116.78 2c9t n SER 170 Ca 0.38 0.61 0.08 0.00 -1.33 0.00 0.00 58.87 58.61 2c9t n SER 170 Cb 1.17 -1.43 0.59 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.62 0.00 -5.31 -1.46 1.79 -1.90 -3.43 116.57 105.64 2c9t h LYS 171 Ca -0.47 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.35 2c9t h LYS 171 Cb 1.32 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.71 2c9t h LYS 171 CO 0.45 0.15 -0.75 0.71 -1.08 0.00 0.00 179.45 178.93 2c9t s TYR 172 N -4.55 2.84 0.12 -1.35 2.02 -1.26 -1.01 117.35 114.16 2c9t s TYR 172 Ca -0.04 -0.60 -0.04 0.00 -0.37 0.00 0.00 57.07 56.03 2c9t s TYR 172 Cb 0.15 -1.86 -0.05 0.00 -0.40 0.00 0.00 41.96 39.80 2c9t s TYR 172 CO 0.66 -0.19 0.33 -1.83 -1.57 0.00 0.00 175.55 172.95 2c9t s GLU 173 N 0.36 3.57 -0.25 -0.62 -1.05 -0.42 -4.77 118.70 115.52 2c9t s GLU 173 Ca -0.10 -0.18 -0.10 0.00 -0.15 0.00 0.00 54.97 54.44 2c9t s GLU 173 Cb -0.16 -2.90 -0.05 0.00 -0.44 0.00 0.00 34.13 30.58 2c9t s GLU 173 CO 0.05 0.51 0.15 0.42 0.95 0.00 0.00 175.26 177.34 2c9t s ILE 174 N -1.61 5.21 -0.13 1.83 -1.09 -1.26 -1.68 121.20 122.46 2c9t s ILE 174 Ca 0.39 0.13 -0.00 0.00 -2.23 0.00 0.00 60.65 58.94 2c9t s ILE 174 Cb -0.12 -3.44 -0.24 0.00 -1.58 0.00 0.00 42.46 37.07 2c9t s ILE 174 CO 0.25 0.33 0.32 0.18 -1.23 0.00 0.00 174.94 174.79 2c9t n LEU 175 N 4.51 2.23 -3.53 2.97 4.77 0.86 -4.98 117.00 123.82 2c9t n LEU 175 Ca -0.15 0.19 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 2c9t n LEU 175 Cb 0.52 -0.76 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 2c9t n LEU 175 CO 0.34 0.76 0.41 -0.94 -1.33 0.00 0.00 177.39 176.64 2c9t s SER 176 N -6.70 -0.49 -0.28 -1.43 1.04 -0.93 -4.97 113.70 99.93 2c9t s SER 176 Ca -0.20 -0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.05 2c9t s SER 176 Cb 0.07 0.63 0.17 0.00 0.10 0.00 0.00 66.02 66.99 2c9t s SER 176 CO 0.76 -1.06 0.55 0.00 0.98 0.00 0.00 173.24 174.46 2c9t s ALA 177 N -3.79 -1.96 0.13 5.32 0.00 -1.25 -1.05 121.76 119.16 2c9t s ALA 177 Ca 0.03 1.65 0.09 0.00 0.00 0.00 0.00 51.96 53.74 2c9t s ALA 177 Cb -0.02 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 2c9t s ALA 177 CO -0.08 -1.29 -0.23 0.95 0.00 0.00 0.00 175.76 175.12 2c9t s THR 178 N 2.78 1.97 -0.30 0.00 -4.23 -0.19 -1.53 115.64 114.15 2c9t s THR 178 Ca 0.17 -1.74 -0.01 0.00 -1.18 0.00 0.00 61.69 58.93 2c9t s THR 178 Cb -0.15 -1.81 0.10 0.00 1.34 0.00 0.00 72.50 71.97 2c9t s THR 178 CO -0.20 -0.07 0.09 0.00 -0.54 0.00 0.00 174.62 173.90 2c9t s GLN 179 N -2.22 0.75 -0.13 3.99 -2.07 -0.07 -1.29 119.66 118.61 2c9t s GLN 179 Ca 0.12 -1.05 0.02 0.00 -1.82 0.00 0.00 55.36 52.64 2c9t s GLN 179 Cb -0.09 -2.03 -0.00 0.00 -1.09 0.00 0.00 33.01 29.80 2c9t s GLN 179 CO 0.06 -0.96 -0.20 0.99 -1.32 0.00 0.00 175.29 173.87 2c9t s THR 180 N 1.61 2.35 0.07 3.63 2.01 -0.33 -4.09 115.64 120.90 2c9t s THR 180 Ca 0.09 -0.90 -0.31 0.00 0.31 0.00 0.00 61.69 60.88 2c9t s THR 180 Cb -0.17 -1.94 -0.07 0.00 0.01 0.00 0.00 72.50 70.32 2c9t s THR 180 CO -0.23 0.54 1.48 -0.60 -0.69 0.00 0.00 174.62 175.12 2c9t s ARG 181 N 0.57 4.26 -0.02 4.92 3.52 -1.26 0.12 118.95 131.06 2c9t s ARG 181 Ca -0.12 2.14 0.06 0.00 -0.13 0.00 0.00 55.73 57.68 2c9t s ARG 181 Cb -0.16 -3.44 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 2c9t s ARG 181 CO 0.04 -0.58 -0.22 -0.65 -0.81 0.00 0.00 175.30 173.08 2c9t s GLN 182 N 1.94 1.86 -0.09 5.12 -0.21 0.10 -4.96 119.66 123.44 2c9t s GLN 182 Ca 0.67 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 55.28 2c9t s GLN 182 Cb -0.37 -1.76 -0.03 0.00 1.00 0.00 0.00 33.01 31.86 2c9t s GLN 182 CO 0.30 0.44 -0.09 0.08 -2.12 0.00 0.00 175.29 173.90 2c9t s VAL 183 N -0.43 3.50 -0.02 1.09 1.01 -1.26 -1.11 120.40 123.18 2c9t s VAL 183 Ca 0.06 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.53 2c9t s VAL 183 Cb -0.09 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 2c9t s VAL 183 CO -0.00 0.57 -0.11 -1.58 0.00 0.00 0.00 175.10 173.98 2c9t s GLN 184 N -0.45 1.02 0.00 2.72 2.00 0.56 -4.94 119.66 120.57 2c9t s GLN 184 Ca 0.06 -0.40 0.07 0.00 -2.00 0.00 0.00 55.36 53.09 2c9t s GLN 184 Cb -0.12 -0.97 -0.03 0.00 0.80 0.00 0.00 33.01 32.70 2c9t s GLN 184 CO 0.02 0.21 -0.22 -1.01 -0.50 0.00 0.00 175.29 173.80 2c9t s HIS 185 N -0.12 2.46 -0.11 1.67 3.76 -1.26 0.40 115.29 122.08 2c9t s HIS 185 Ca 0.02 -0.33 -0.03 0.00 -0.15 0.00 0.00 55.06 54.56 2c9t s HIS 185 Cb -0.06 -1.50 -0.03 0.00 1.11 0.00 0.00 32.58 32.10 2c9t s HIS 185 CO -0.00 0.11 0.02 0.71 -0.85 0.00 0.00 174.74 174.73 2c9t s TYR 186 N -0.75 3.21 0.40 1.40 2.02 -1.26 -4.99 117.35 117.38 2c9t s TYR 186 Ca 0.12 0.15 0.25 0.00 -0.37 0.00 0.00 57.07 57.22 2c9t s TYR 186 Cb -0.10 -1.87 1.35 0.00 -0.40 0.00 0.00 41.96 40.94 2c9t s TYR 186 CO 0.01 0.39 1.61 0.66 -1.57 0.00 0.00 175.55 176.65 2c9t h SER 187 N 5.55 0.31 -0.10 2.29 4.64 -2.00 -1.03 113.55 123.21 2c9t h SER 187 Ca -0.47 0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 2c9t h SER 187 Cb 1.19 0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 2c9t h SER 187 CO 0.58 -0.27 -0.03 0.00 -0.87 0.00 0.00 176.83 176.23 2c9t h PRO 190 N 6.90 0.54 -6.59 0.00 0.13 -1.90 -3.36 132.00 127.72 2c9t h PRO 190 Ca -0.38 -0.18 -0.59 0.00 -0.87 0.00 0.00 66.00 63.97 2c9t h PRO 190 Cb 1.15 -0.04 0.10 0.00 0.13 0.00 0.00 31.00 32.34 2c9t h PRO 190 CO 0.44 0.70 0.41 -0.85 -0.23 0.00 0.00 178.00 178.48 2c9t n GLU 191 N -4.54 1.81 -2.90 0.86 0.00 -1.26 -4.93 120.64 109.67 2c9t n GLU 191 Ca -0.03 0.64 -0.34 0.00 0.00 0.00 0.00 57.16 57.43 2c9t n GLU 191 Cb 0.28 -2.17 -0.07 0.00 0.00 0.00 0.00 31.44 29.48 2c9t n GLU 191 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2c9t s PRO 192 N -1.25 4.24 -0.23 3.44 0.04 -1.26 -4.64 135.00 135.34 2c9t s PRO 192 Ca 0.61 1.04 -0.04 0.00 0.04 0.00 0.00 61.00 62.65 2c9t s PRO 192 Cb -0.65 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.49 2c9t s PRO 192 CO 0.57 0.09 -0.02 0.71 0.04 0.00 0.00 177.00 178.40 2c9t s TYR 193 N -1.99 3.00 -0.07 0.56 2.02 0.16 -0.01 117.35 121.02 2c9t s TYR 193 Ca 0.57 -0.93 0.06 0.00 -0.37 0.00 0.00 57.07 56.40 2c9t s TYR 193 Cb -0.11 -2.13 -0.01 0.00 -0.40 0.00 0.00 41.96 39.31 2c9t s TYR 193 CO 0.16 -0.54 -0.25 0.42 -1.57 0.00 0.00 175.55 173.77 2c9t s ILE 194 N 1.49 2.05 0.20 2.71 1.01 -1.26 -0.32 121.20 127.07 2c9t s ILE 194 Ca 0.05 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.65 2c9t s ILE 194 Cb -0.15 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 2c9t s ILE 194 CO -0.02 0.57 0.07 1.51 0.00 0.00 0.00 174.94 177.07 2c9t s ASP 195 N -0.06 0.77 -0.25 3.58 -4.77 -0.26 -4.65 116.67 111.03 2c9t s ASP 195 Ca -0.07 -1.30 -0.02 0.00 -3.30 0.00 0.00 52.55 47.86 2c9t s ASP 195 Cb -0.15 0.23 0.03 0.00 -1.09 0.00 0.00 42.92 41.94 2c9t s ASP 195 CO 0.05 -0.72 -0.05 -0.69 0.70 0.00 0.00 175.17 174.46 2c9t s VAL 196 N -3.89 2.95 -0.39 2.11 1.01 -0.49 0.03 120.40 121.74 2c9t s VAL 196 Ca 0.32 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 2c9t s VAL 196 Cb 0.07 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.95 2c9t s VAL 196 CO 0.09 0.18 0.69 0.21 0.00 0.00 0.00 175.10 176.26 2c9t s ASN 197 N 1.33 6.43 -0.37 3.32 2.47 0.12 -0.85 114.94 127.39 2c9t s ASN 197 Ca 0.00 0.06 -0.23 0.00 0.42 0.00 0.00 52.86 53.11 2c9t s ASN 197 Cb -0.17 -2.35 0.01 0.00 -1.45 0.00 0.00 41.25 37.30 2c9t s ASN 197 CO -0.04 -0.70 0.79 -0.22 -3.72 0.00 0.00 177.10 173.21 2c9t s LEU 198 N 2.89 4.13 -0.22 3.21 2.96 -0.51 -1.18 118.68 129.96 2c9t s LEU 198 Ca 0.26 0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.48 2c9t s LEU 198 Cb -0.14 -3.03 0.02 0.00 0.50 0.00 0.00 46.19 43.54 2c9t s LEU 198 CO 0.17 -0.75 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.66 2c9t s VAL 199 N 3.13 2.78 -0.19 1.68 1.01 -0.42 -1.41 120.40 126.99 2c9t s VAL 199 Ca 0.31 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.44 2c9t s VAL 199 Cb -0.13 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.96 2c9t s VAL 199 CO 0.17 0.35 -0.19 -0.69 0.00 0.00 0.00 175.10 174.75 2c9t s VAL 200 N 1.36 2.11 -0.19 2.92 1.01 0.23 -1.02 120.40 126.82 2c9t s VAL 200 Ca 0.03 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.88 2c9t s VAL 200 Cb -0.15 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 2c9t s VAL 200 CO -0.06 0.48 0.28 -0.75 0.00 0.00 0.00 175.10 175.05 2c9t s LYS 201 N 1.28 4.20 0.23 2.72 2.20 -0.21 -1.36 119.74 128.79 2c9t s LYS 201 Ca 0.04 0.03 -0.11 0.00 -0.36 0.00 0.00 55.97 55.56 2c9t s LYS 201 Cb -0.14 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 2c9t s LYS 201 CO -0.12 0.13 0.42 -0.59 -0.36 0.00 0.00 175.35 174.83 2c9t s PHE 202 N 0.80 0.47 0.14 4.03 -0.12 -0.29 -0.10 117.98 122.92 2c9t s PHE 202 Ca 0.15 -0.81 -0.17 0.00 -0.05 0.00 0.00 56.93 56.05 2c9t s PHE 202 Cb -0.13 0.07 0.04 0.00 -0.63 0.00 0.00 43.02 42.36 2c9t s PHE 202 CO 0.04 -0.92 0.43 -0.98 -0.05 0.00 0.00 175.22 173.75 2c9t s ARG 203 N -4.03 1.13 0.22 1.99 1.70 -0.68 -0.98 118.95 118.30 2c9t s ARG 203 Ca 0.24 -0.72 -0.31 0.00 -0.47 0.00 0.00 55.73 54.47 2c9t s ARG 203 Cb 0.01 0.49 -0.11 0.00 -0.57 0.00 0.00 34.95 34.76 2c9t s ARG 203 CO 0.09 -0.45 1.62 -1.21 -1.08 0.00 0.00 175.30 174.26 2c9t s GLU 204 N -3.81 4.16 0.00 3.89 2.02 0.16 -1.30 118.70 123.82 2c9t s GLU 204 Ca 0.04 2.50 0.29 0.00 0.02 0.00 0.00 54.97 57.82 2c9t s GLU 204 Cb 0.01 -3.09 1.19 0.00 0.10 0.00 0.00 34.13 32.34 2c9t s GLU 204 CO -0.10 -0.65 1.82 -2.13 0.02 0.00 0.00 175.26 174.22