#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 -0.22 -0.19 -1.58 0.00 -2.03 0.30 119.26 115.54 2c9t h ALA 2 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2c9t h ALA 2 Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2c9t h ALA 2 CO 0.00 -0.62 -0.39 -0.91 0.00 0.00 0.00 179.25 177.33 2c9t h ASN 3 N -0.24 0.45 -0.21 0.00 2.35 -1.99 -1.55 115.58 114.38 2c9t h ASN 3 Ca -0.02 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.49 2c9t h ASN 3 Cb 0.19 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2c9t h ASN 3 CO 0.04 0.80 -0.04 0.25 -1.65 0.00 0.00 177.43 176.83 2c9t h LEU 4 N 0.36 0.40 -0.65 1.61 5.85 -1.78 -0.46 115.31 120.64 2c9t h LEU 4 Ca 0.03 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.49 2c9t h LEU 4 Cb 0.85 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.70 2c9t h LEU 4 CO 0.07 0.66 0.30 0.24 -0.34 0.00 0.00 178.44 179.37 2c9t h MET 5 N 0.14 0.51 0.18 1.25 2.86 -0.26 -1.35 114.93 118.26 2c9t h MET 5 Ca 0.06 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2c9t h MET 5 Cb 0.48 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 2c9t h MET 5 CO 0.02 0.34 -0.12 -0.09 1.06 0.00 0.00 176.91 178.12 2c9t h ARG 6 N 0.53 -0.29 -0.27 1.72 2.43 -1.12 -1.57 114.38 115.80 2c9t h ARG 6 Ca 0.32 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.55 2c9t h ARG 6 Cb 0.35 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 2c9t h ARG 6 CO -0.27 -0.19 0.02 1.25 -1.51 0.00 0.00 179.97 179.27 2c9t h LEU 7 N -0.30 -0.05 -0.67 3.80 5.85 -0.88 -0.09 115.31 122.97 2c9t h LEU 7 Ca -0.01 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2c9t h LEU 7 Cb 0.25 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2c9t h LEU 7 CO 0.01 0.01 0.29 0.11 -0.34 0.00 0.00 178.44 178.52 2c9t h LYS 8 N 0.11 0.99 -0.62 1.25 1.57 -1.24 0.26 116.57 118.88 2c9t h LYS 8 Ca 0.13 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2c9t h LYS 8 Cb 0.15 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 2c9t h LYS 8 CO -0.19 0.81 0.39 1.03 -0.57 0.00 0.00 179.45 180.92 2c9t h SER 9 N 0.94 0.66 0.18 0.86 0.87 -0.99 0.66 113.55 116.73 2c9t h SER 9 Ca 0.23 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 2c9t h SER 9 Cb 0.17 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2c9t h SER 9 CO -0.02 0.46 -0.47 0.44 -0.53 0.00 0.00 176.83 176.71 2c9t h ASP 10 N 0.78 0.38 0.11 6.23 3.32 -0.59 -1.36 116.42 125.29 2c9t h ASP 10 Ca 0.24 -0.18 -0.28 0.00 0.02 0.00 0.00 57.03 56.83 2c9t h ASP 10 Cb -0.02 -0.11 0.03 0.00 0.22 0.00 0.00 39.33 39.45 2c9t h ASP 10 CO -0.08 0.80 -1.16 -0.07 -1.72 0.00 0.00 179.24 177.00 2c9t h LEU 11 N 0.28 0.84 0.00 1.55 3.38 -0.79 -3.38 115.31 117.19 2c9t h LEU 11 Ca 0.02 -0.82 -0.30 0.00 0.09 0.00 0.00 57.88 56.87 2c9t h LEU 11 Cb 0.94 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 2c9t h LEU 11 CO 0.08 1.57 -2.12 0.49 0.09 0.00 0.00 178.44 178.56 2c9t n PHE 12 N -3.85 0.00 1.14 1.13 3.72 0.21 -4.65 117.46 115.16 2c9t n PHE 12 Ca -0.13 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.39 2c9t n PHE 12 Cb 0.95 -0.79 0.20 0.00 -0.94 0.00 0.00 39.48 38.90 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 -2.70 2.28 -0.06 4.37 3.02 -0.51 -4.45 115.26 117.21 2c9t n ASN 13 Ca -0.28 -1.69 -0.21 0.00 -0.03 0.00 0.00 54.58 52.37 2c9t n ASN 13 Cb 0.99 0.11 -0.13 0.00 -0.61 0.00 0.00 39.78 40.15 2c9t n ASN 13 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2c9t n ARG 14 N 0.62 0.70 -4.14 3.52 1.74 -1.24 -5.02 116.66 112.84 2c9t n ARG 14 Ca 0.14 0.25 -0.25 0.00 -0.77 0.00 0.00 57.85 57.22 2c9t n ARG 14 Cb 0.49 -1.63 -0.07 0.00 -1.02 0.00 0.00 32.46 30.23 2c9t n ARG 14 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2c9t s SER 15 N -6.87 4.42 0.95 0.55 0.15 -1.26 -5.12 113.70 106.52 2c9t s SER 15 Ca -0.28 -1.10 -0.11 0.00 0.70 0.00 0.00 55.95 55.16 2c9t s SER 15 Cb 0.08 -0.42 0.16 0.00 -1.71 0.00 0.00 66.02 64.13 2c9t s SER 15 CO 0.68 -0.57 1.10 -2.84 1.20 0.00 0.00 173.24 172.81 2c9t s PRO 16 N -3.92 0.75 0.70 5.44 0.02 -1.26 -4.97 135.00 131.76 2c9t s PRO 16 Ca 0.40 1.23 -0.14 0.00 0.02 0.00 0.00 61.00 62.51 2c9t s PRO 16 Cb 0.04 -1.72 0.02 0.00 0.02 0.00 0.00 34.50 32.86 2c9t s PRO 16 CO 0.22 -2.71 1.11 1.41 -0.33 0.00 0.00 177.00 176.71 2c9t s MET 17 N -4.68 2.58 -0.05 5.54 1.75 -1.26 -4.93 119.30 118.25 2c9t s MET 17 Ca 0.66 1.37 -0.37 0.00 -1.25 0.00 0.00 55.69 56.11 2c9t s MET 17 Cb -0.22 -1.92 -0.15 0.00 2.84 0.00 0.00 34.83 35.38 2c9t s MET 17 CO 0.59 -1.42 1.65 0.98 -0.65 0.00 0.00 175.02 176.17 2c9t n TYR 18 N -2.74 2.03 1.84 4.11 9.36 -1.26 -4.88 117.16 125.63 2c9t n TYR 18 Ca 0.10 0.37 0.03 0.00 3.32 0.00 0.00 57.90 61.72 2c9t n TYR 18 Cb 0.52 -2.50 0.16 0.00 -0.63 0.00 0.00 39.34 36.89 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 4.60 1.12 0.00 2.98 -0.04 -1.26 -4.83 135.00 137.57 2c9t n PRO 19 Ca 0.22 -0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2c9t n PRO 19 Cb 0.22 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.65 -0.45 3.82 0.55 0.00 -1.26 -5.03 105.19 103.48 2c9t n GLY 20 Ca 0.05 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.05 3.06 0.27 1.61 0.04 -1.26 -5.05 135.00 131.61 2c9t s PRO 21 Ca 0.00 1.01 0.02 0.00 0.04 0.00 0.00 61.00 62.07 2c9t s PRO 21 Cb 0.00 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 2c9t s PRO 21 CO 0.00 -1.01 0.10 0.95 0.04 0.00 0.00 177.00 177.08 2c9t s THR 22 N -2.90 0.58 0.54 1.26 -4.23 -0.82 -4.95 115.64 105.12 2c9t s THR 22 Ca 0.59 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.30 2c9t s THR 22 Cb -0.14 -2.63 0.30 0.00 1.34 0.00 0.00 72.50 71.36 2c9t s THR 22 CO 0.50 0.00 2.17 0.07 -0.54 0.00 0.00 174.62 176.83 2c9t h LYS 23 N 2.34 0.00 0.00 3.99 2.10 -1.91 -0.58 116.57 122.51 2c9t h LYS 23 Ca -0.38 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.21 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 0.61 0.00 -0.31 -0.44 -2.00 0.00 0.00 179.45 177.31 2c9t h ASP 24 N 0.00 0.00 -2.06 7.07 3.32 -1.95 -3.38 116.42 119.41 2c9t h ASP 24 Ca 0.01 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.51 2c9t h ASP 24 Cb 0.02 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.17 2c9t h ASP 24 CO -0.00 0.31 -1.00 -0.67 -1.72 0.00 0.00 179.24 176.16 2c9t n ASP 25 N -3.19 1.37 -4.83 6.45 2.03 -0.37 -5.12 116.55 112.91 2c9t n ASP 25 Ca 0.03 -3.00 -0.31 0.00 0.52 0.00 0.00 54.79 52.03 2c9t n ASP 25 Cb 0.65 -0.63 0.04 0.00 -0.72 0.00 0.00 41.12 40.45 2c9t n ASP 25 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2c9t s PRO 26 N -1.95 3.09 0.04 -0.67 0.02 -0.38 -1.94 135.00 133.21 2c9t s PRO 26 Ca 0.38 0.95 0.04 0.00 0.02 0.00 0.00 61.00 62.39 2c9t s PRO 26 Cb 0.22 -2.01 -0.02 0.00 0.02 0.00 0.00 34.50 32.71 2c9t s PRO 26 CO -0.09 -0.98 -0.12 -0.51 -0.33 0.00 0.00 177.00 174.98 2c9t s LEU 27 N -5.36 2.18 -0.19 -5.54 1.02 -0.31 -4.95 118.68 105.53 2c9t s LEU 27 Ca 0.58 -0.45 -0.06 0.00 0.02 0.00 0.00 54.13 54.22 2c9t s LEU 27 Cb -0.14 -0.46 -0.03 0.00 0.02 0.00 0.00 46.19 45.58 2c9t s LEU 27 CO 0.53 -0.02 0.04 -0.89 0.02 0.00 0.00 176.35 176.02 2c9t s THR 28 N -0.91 4.45 -0.21 5.49 2.01 -1.26 -0.35 115.64 124.87 2c9t s THR 28 Ca -0.01 -0.15 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 2c9t s THR 28 Cb -0.08 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 2c9t s THR 28 CO 0.01 0.44 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.66 2c9t s VAL 29 N 0.62 3.57 -0.29 3.82 1.01 0.06 -4.38 120.40 124.80 2c9t s VAL 29 Ca 0.02 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 2c9t s VAL 29 Cb -0.13 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 2c9t s VAL 29 CO 0.02 0.43 0.41 -0.89 0.00 0.00 0.00 175.10 175.07 2c9t s THR 30 N 1.24 5.13 -0.01 3.92 2.01 0.05 -1.15 115.64 126.83 2c9t s THR 30 Ca 0.03 0.48 -0.05 0.00 0.31 0.00 0.00 61.69 62.46 2c9t s THR 30 Cb -0.14 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2c9t s THR 30 CO -0.01 0.04 0.22 -0.76 -0.69 0.00 0.00 174.62 173.43 2c9t s LEU 31 N 2.15 4.37 -0.13 4.42 1.43 0.11 -1.67 118.68 129.36 2c9t s LEU 31 Ca 0.16 0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 53.61 2c9t s LEU 31 Cb -0.16 -2.60 0.04 0.00 0.03 0.00 0.00 46.19 43.50 2c9t s LEU 31 CO 0.11 0.27 0.34 -0.83 0.23 0.00 0.00 176.35 176.47 2c9t s GLY 32 N -1.74 -0.26 -0.06 -3.19 0.00 -0.58 -4.24 107.32 97.25 2c9t s GLY 32 Ca 0.26 1.01 0.02 0.00 0.00 0.00 0.00 44.72 46.02 2c9t s GLY 32 CO 0.16 0.92 -0.10 -1.36 0.00 0.00 0.00 173.10 172.72 2c9t s PHE 33 N 0.33 2.83 -0.37 1.90 0.08 -1.26 -0.34 117.98 121.16 2c9t s PHE 33 Ca -0.01 -0.08 0.02 0.00 0.12 0.00 0.00 56.93 56.98 2c9t s PHE 33 Cb -0.03 -1.68 0.10 0.00 -0.57 0.00 0.00 43.02 40.84 2c9t s PHE 33 CO -0.01 0.25 0.10 0.99 -0.10 0.00 0.00 175.22 176.45 2c9t s THR 34 N -0.72 2.55 -0.17 0.64 2.01 -0.47 -1.78 115.64 117.70 2c9t s THR 34 Ca 0.11 -2.34 -0.26 0.00 0.31 0.00 0.00 61.69 59.51 2c9t s THR 34 Cb -0.11 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.55 2c9t s THR 34 CO 0.01 -0.63 0.87 -0.22 -0.69 0.00 0.00 174.62 173.96 2c9t s LEU 35 N 0.89 4.18 -0.22 4.42 2.96 -0.75 -1.43 118.68 128.72 2c9t s LEU 35 Ca 0.11 1.23 0.02 0.00 -0.22 0.00 0.00 54.13 55.28 2c9t s LEU 35 Cb -0.20 -3.30 -0.20 0.00 0.50 0.00 0.00 46.19 42.99 2c9t s LEU 35 CO -0.07 -0.43 -0.06 0.00 -1.32 0.00 0.00 176.35 174.48 2c9t n GLN 36 N 5.29 0.67 -3.64 1.98 6.02 0.24 -3.35 117.38 124.60 2c9t n GLN 36 Ca 0.06 0.16 -0.10 0.00 -0.01 0.00 0.00 57.00 57.10 2c9t n GLN 36 Cb 0.49 -1.56 -0.07 0.00 1.02 0.00 0.00 30.24 30.11 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 -6.49 -0.61 -0.40 1.08 2.15 -0.93 0.72 116.67 112.19 2c9t s ASP 37 Ca -0.29 1.13 -0.20 0.00 0.43 0.00 0.00 52.55 53.62 2c9t s ASP 37 Cb 0.08 1.17 0.01 0.00 -0.30 0.00 0.00 42.92 43.88 2c9t s ASP 37 CO 0.66 -0.19 0.61 -0.63 -0.17 0.00 0.00 175.17 175.45 2c9t s ILE 38 N 0.54 4.89 -0.09 4.11 1.01 -1.26 -0.80 121.20 129.60 2c9t s ILE 38 Ca -0.01 0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 2c9t s ILE 38 Cb -0.05 -4.12 -0.26 0.00 0.01 0.00 0.00 42.46 38.04 2c9t s ILE 38 CO -0.06 -0.45 0.49 0.58 0.00 0.00 0.00 174.94 175.51 2c9t h VAL 39 N 5.77 0.74 -2.71 2.92 2.07 -1.16 -3.41 116.25 120.47 2c9t h VAL 39 Ca -0.26 -2.46 -0.10 0.00 0.82 0.00 0.00 66.70 64.70 2c9t h VAL 39 Cb 1.11 2.55 -0.21 0.00 -1.52 0.00 0.00 31.29 33.22 2c9t h VAL 39 CO 0.85 0.83 -0.16 -0.75 0.02 0.00 0.00 177.57 178.36 2c9t s LYS 40 N -2.57 0.69 -0.03 1.57 2.20 -1.22 -4.96 119.74 115.42 2c9t s LYS 40 Ca -0.18 0.19 0.03 0.00 -0.36 0.00 0.00 55.97 55.65 2c9t s LYS 40 Cb 0.07 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.71 2c9t s LYS 40 CO 0.80 -0.17 -0.10 0.08 -0.36 0.00 0.00 175.35 175.60 2c9t s VAL 41 N -0.73 0.85 -0.27 4.02 1.01 -1.26 -1.58 120.40 122.44 2c9t s VAL 41 Ca -0.08 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2c9t s VAL 41 Cb -0.04 -0.75 0.08 0.00 0.00 0.00 0.00 36.38 35.67 2c9t s VAL 41 CO 0.04 0.26 0.02 -0.62 0.00 0.00 0.00 175.10 174.80 2c9t s ASP 42 N 0.15 4.00 0.03 3.32 -1.08 -0.54 -4.99 116.67 117.56 2c9t s ASP 42 Ca -0.03 -1.48 0.27 0.00 -0.52 0.00 0.00 52.55 50.80 2c9t s ASP 42 Cb -0.09 -1.12 0.92 0.00 -1.46 0.00 0.00 42.92 41.17 2c9t s ASP 42 CO 0.01 -0.32 1.72 -1.54 0.52 0.00 0.00 175.17 175.55 2c9t n SER 43 N 4.67 0.27 0.09 -0.34 3.41 -1.26 -0.56 113.62 119.90 2c9t n SER 43 Ca -0.06 0.25 -0.11 0.00 -0.26 0.00 0.00 58.87 58.70 2c9t n SER 43 Cb 0.43 -0.25 -0.08 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.26 0.00 4.04 4.64 -1.97 -3.37 113.55 117.15 2c9t h SER 44 Ca 0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2c9t h SER 44 Cb 0.54 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2c9t h SER 44 CO 0.00 1.13 -0.67 0.35 -0.87 0.00 0.00 176.83 176.77 2c9t n THR 45 N -3.54 0.00 -3.44 2.95 -2.24 -1.17 -5.02 114.28 101.82 2c9t n THR 45 Ca -0.04 -0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.30 2c9t n THR 45 Cb 0.91 0.87 0.07 0.00 -2.10 0.00 0.00 70.33 70.09 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 -1.36 -3.56 -4.16 3.42 4.13 0.27 -4.91 115.26 109.08 2c9t n ASN 46 Ca 0.01 -0.71 -0.25 0.00 1.68 0.00 0.00 54.58 55.32 2c9t n ASN 46 Cb 0.19 -4.85 -0.15 0.00 -1.54 0.00 0.00 39.78 33.42 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 -5.20 1.39 0.08 3.52 2.02 -1.14 -0.53 118.70 118.83 2c9t s GLU 47 Ca 0.18 -0.63 0.07 0.00 0.02 0.00 0.00 54.97 54.61 2c9t s GLU 47 Cb -0.03 -1.35 -0.03 0.00 0.10 0.00 0.00 34.13 32.82 2c9t s GLU 47 CO 0.76 0.37 -0.19 0.08 0.02 0.00 0.00 175.26 176.30 2c9t s VAL 48 N -0.43 1.50 -0.20 2.63 1.01 -0.41 -1.46 120.40 123.05 2c9t s VAL 48 Ca 0.07 -1.37 -0.02 0.00 0.00 0.00 0.00 61.98 60.66 2c9t s VAL 48 Cb -0.07 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.95 2c9t s VAL 48 CO -0.01 -0.04 -0.12 -1.81 0.00 0.00 0.00 175.10 173.13 2c9t s ASP 49 N -1.65 3.76 0.10 3.32 1.11 -0.61 -0.75 116.67 121.95 2c9t s ASP 49 Ca 0.04 -0.51 0.04 0.00 0.18 0.00 0.00 52.55 52.30 2c9t s ASP 49 Cb -0.10 -1.62 -0.04 0.00 1.07 0.00 0.00 42.92 42.24 2c9t s ASP 49 CO 0.03 -0.01 0.06 -0.76 1.18 0.00 0.00 175.17 175.67 2c9t s LEU 50 N 1.38 3.68 -0.15 1.23 1.43 -0.35 -0.53 118.68 125.38 2c9t s LEU 50 Ca 0.05 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2c9t s LEU 50 Cb -0.14 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.73 2c9t s LEU 50 CO -0.08 0.16 -0.21 -0.69 0.23 0.00 0.00 176.35 175.76 2c9t s VAL 51 N -1.42 2.08 0.16 -1.59 1.01 0.02 -1.28 120.40 119.37 2c9t s VAL 51 Ca 0.28 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 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 0.21 0.55 0.24 -0.72 0.00 0.00 0.00 175.10 175.38 2c9t s TYR 52 N 0.88 0.47 -0.18 5.22 -0.85 -0.73 -0.59 117.35 121.58 2c9t s TYR 52 Ca -0.05 -0.84 -0.12 0.00 -0.52 0.00 0.00 57.07 55.54 2c9t s TYR 52 Cb -0.15 -0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.01 2c9t s TYR 52 CO -0.04 -0.68 0.21 0.71 -1.52 0.00 0.00 175.55 174.23 2c9t s TYR 53 N -3.98 3.44 -0.41 -3.49 2.02 -0.51 -0.56 117.35 113.86 2c9t s TYR 53 Ca 0.18 0.46 -0.09 0.00 -0.37 0.00 0.00 57.07 57.26 2c9t s TYR 53 Cb 0.04 -2.24 0.08 0.00 -0.40 0.00 0.00 41.96 39.44 2c9t s TYR 53 CO -0.00 0.27 0.25 -2.00 -1.57 0.00 0.00 175.55 172.50 2c9t s GLU 54 N 0.38 2.57 0.01 -0.62 2.12 -0.28 -1.37 118.70 121.52 2c9t s GLU 54 Ca 0.12 -1.47 -0.30 0.00 0.36 0.00 0.00 54.97 53.68 2c9t s GLU 54 Cb -0.12 -3.75 -0.03 0.00 0.26 0.00 0.00 34.13 30.48 2c9t s GLU 54 CO 0.01 -0.95 1.00 -0.65 -0.54 0.00 0.00 175.26 174.13 2c9t s GLN 55 N 1.40 4.56 -0.06 4.30 -0.21 0.54 -3.28 119.66 126.92 2c9t s GLN 55 Ca 0.03 1.45 0.02 0.00 0.02 0.00 0.00 55.36 56.88 2c9t s GLN 55 Cb -0.23 -3.45 0.01 0.00 1.00 0.00 0.00 33.01 30.35 2c9t s GLN 55 CO 0.02 -0.05 -0.12 -0.65 -2.12 0.00 0.00 175.29 172.37 2c9t s GLN 56 N 0.96 1.54 -0.02 2.91 -0.21 0.15 -1.53 119.66 123.46 2c9t s GLN 56 Ca 0.52 -0.39 0.02 0.00 0.02 0.00 0.00 55.36 55.54 2c9t s GLN 56 Cb -0.22 -1.31 0.01 0.00 1.00 0.00 0.00 33.01 32.49 2c9t s GLN 56 CO 0.28 0.04 -0.07 1.03 -2.12 0.00 0.00 175.29 174.45 2c9t s ARG 57 N 0.58 0.81 0.36 2.91 0.52 -0.67 -1.37 118.95 122.09 2c9t s ARG 57 Ca -0.12 -0.24 -0.04 0.00 -0.52 0.00 0.00 55.73 54.81 2c9t s ARG 57 Cb -0.15 -0.77 0.01 0.00 0.52 0.00 0.00 34.95 34.56 2c9t s ARG 57 CO 0.03 0.08 0.53 1.67 0.02 0.00 0.00 175.30 177.63 2c9t s TRP 58 N 0.25 0.96 -0.04 -0.53 -2.14 -0.96 -0.77 118.94 115.72 2c9t s TRP 58 Ca -0.03 -1.25 -0.02 0.00 2.66 0.00 0.00 56.10 57.45 2c9t s TRP 58 Cb -0.08 0.05 0.02 0.00 -3.10 0.00 0.00 33.47 30.35 2c9t s TRP 58 CO 0.00 -1.22 0.09 0.21 -2.66 0.00 0.00 176.95 173.37 2c9t s LYS 59 N -2.86 0.07 -0.10 3.25 2.20 -1.26 -0.58 119.74 120.45 2c9t s LYS 59 Ca 0.29 0.21 0.03 0.00 -0.36 0.00 0.00 55.97 56.13 2c9t s LYS 59 Cb -0.01 -0.08 0.01 0.00 -1.51 0.00 0.00 37.83 36.23 2c9t s LYS 59 CO 0.20 -0.09 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.40 2c9t s LEU 60 N 0.59 1.88 0.30 5.43 1.43 -0.17 -4.93 118.68 123.22 2c9t s LEU 60 Ca -0.05 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2c9t s LEU 60 Cb -0.06 -1.18 0.56 0.00 0.03 0.00 0.00 46.19 45.53 2c9t s LEU 60 CO -0.02 0.08 1.88 0.78 0.23 0.00 0.00 176.35 179.30 2c9t h ASN 61 N 7.07 0.89 0.00 2.29 2.35 -1.86 -1.87 115.58 124.45 2c9t h ASN 61 Ca -0.27 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2c9t h ASN 61 Cb 1.20 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.41 2c9t h ASN 61 CO 0.49 0.54 0.02 0.77 -1.65 0.00 0.00 177.43 177.60 2c9t h SER 62 N 0.99 0.00 -0.47 5.81 4.64 -1.95 -0.74 113.55 121.83 2c9t h SER 62 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2c9t h SER 62 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2c9t h SER 62 CO -0.19 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.95 2c9t n LEU 63 N -2.34 3.57 -4.79 5.97 4.77 -0.70 -4.97 117.00 118.51 2c9t n LEU 63 Ca -0.02 -1.62 -0.36 0.00 -0.03 0.00 0.00 56.01 53.98 2c9t n LEU 63 Cb 0.06 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 2c9t n LEU 63 CO 0.10 0.80 0.72 -0.04 -1.33 0.00 0.00 177.39 177.65 2c9t s MET 64 N -1.35 4.11 0.16 3.23 -1.94 -0.29 -4.11 119.30 119.11 2c9t s MET 64 Ca 0.41 1.45 -0.10 0.00 -1.71 0.00 0.00 55.69 55.74 2c9t s MET 64 Cb 0.23 -2.44 -0.00 0.00 2.01 0.00 0.00 34.83 34.63 2c9t s MET 64 CO 0.32 -0.18 0.29 1.67 -0.01 0.00 0.00 175.02 177.11 2c9t s TRP 65 N -1.76 0.34 -0.37 -0.03 -2.14 -0.73 -4.95 118.94 109.30 2c9t s TRP 65 Ca 0.60 -0.70 -0.15 0.00 2.66 0.00 0.00 56.10 58.50 2c9t s TRP 65 Cb -0.20 -0.02 0.00 0.00 -3.10 0.00 0.00 33.47 30.15 2c9t s TRP 65 CO 0.25 -0.72 0.36 0.34 -2.66 0.00 0.00 176.95 174.52 2c9t s ASP 66 N -2.95 6.16 0.60 -2.66 -1.08 -1.26 -4.64 116.67 110.83 2c9t s ASP 66 Ca 0.15 -0.49 0.28 0.00 -0.52 0.00 0.00 52.55 51.98 2c9t s ASP 66 Cb 0.03 -2.19 1.39 0.00 -1.46 0.00 0.00 42.92 40.69 2c9t s ASP 66 CO -0.01 -0.41 1.80 -0.65 0.52 0.00 0.00 175.17 176.42 2c9t h PRO 67 N 8.57 0.00 0.00 4.34 0.11 -1.94 -2.04 132.00 141.04 2c9t h PRO 67 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2c9t h PRO 67 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2c9t h PRO 67 CO 0.72 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.60 2c9t h ASN 68 N 0.00 0.00 1.27 -2.05 2.35 -1.94 1.22 115.58 116.44 2c9t h ASN 68 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2c9t h ASN 68 Cb 1.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.75 2c9t h ASN 68 CO -0.00 0.00 -0.38 -0.33 -1.65 0.00 0.00 177.43 175.07 2c9t h GLU 69 N 0.00 0.00 -1.04 0.81 5.08 -1.79 -3.38 114.58 114.26 2c9t h GLU 69 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 2c9t h GLU 69 Cb 0.74 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.57 2c9t h GLU 69 CO 0.00 0.00 -0.88 0.66 -1.00 0.00 0.00 179.01 177.79 2c9t n TYR 70 N -2.41 2.56 -3.58 4.33 4.01 -0.99 -4.96 117.16 116.11 2c9t n TYR 70 Ca 0.04 -2.64 -0.27 0.00 -0.16 0.00 0.00 57.90 54.87 2c9t n TYR 70 Cb 0.47 -0.23 0.02 0.00 -0.31 0.00 0.00 39.34 39.29 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 -0.51 -0.50 2.34 2.72 0.00 -1.12 -2.26 105.19 105.86 2c9t n GLY 71 Ca 0.32 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.63 -4.65 -4.68 1.61 3.02 0.42 -4.99 115.26 103.35 2c9t n ASN 72 Ca -0.00 0.13 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 2c9t n ASN 72 Cb 0.55 -3.67 -0.03 0.00 -0.61 0.00 0.00 39.78 36.02 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 -2.68 3.93 -0.30 2.41 1.01 -0.96 -4.87 121.20 119.75 2c9t s ILE 73 Ca 0.00 1.25 0.16 0.00 0.00 0.00 0.00 60.65 62.06 2c9t s ILE 73 Cb 0.00 -3.80 -0.22 0.00 0.01 0.00 0.00 42.46 38.45 2c9t s ILE 73 CO 0.00 -0.04 0.47 0.35 0.00 0.00 0.00 174.94 175.72 2c9t n THR 74 N 4.90 0.00 -3.48 2.92 -2.24 -1.26 -4.34 114.28 110.78 2c9t n THR 74 Ca 0.13 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 2c9t n THR 74 Cb 0.44 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 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 -3.30 -0.50 0.16 3.42 -4.77 -1.26 -1.48 116.67 108.94 2c9t s ASP 75 Ca -0.01 0.17 -0.13 0.00 -3.30 0.00 0.00 52.55 49.28 2c9t s ASP 75 Cb 0.11 0.49 0.01 0.00 -1.09 0.00 0.00 42.92 42.44 2c9t s ASP 75 CO 0.65 -0.72 0.36 0.72 0.70 0.00 0.00 175.17 176.88 2c9t s PHE 76 N -2.80 0.10 -0.05 2.11 -0.12 -0.13 -5.00 117.98 112.09 2c9t s PHE 76 Ca -0.00 -0.46 -0.02 0.00 -0.05 0.00 0.00 56.93 56.40 2c9t s PHE 76 Cb -0.01 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 2c9t s PHE 76 CO -0.06 -0.75 0.05 1.03 -0.05 0.00 0.00 175.22 175.43 2c9t s ARG 77 N -3.90 3.04 0.07 1.99 1.81 -1.26 -0.80 118.95 119.91 2c9t s ARG 77 Ca 0.11 -0.42 -0.19 0.00 -1.72 0.00 0.00 55.73 53.50 2c9t s ARG 77 Cb 0.02 -2.85 0.04 0.00 -0.45 0.00 0.00 34.95 31.71 2c9t s ARG 77 CO -0.04 0.69 0.46 -0.08 -0.68 0.00 0.00 175.30 175.64 2c9t s THR 78 N -1.03 0.05 0.27 0.02 -1.32 -0.35 -4.97 115.64 108.31 2c9t s THR 78 Ca 0.17 -0.39 -0.30 0.00 -1.21 0.00 0.00 61.69 59.97 2c9t s THR 78 Cb -0.12 -1.01 -0.14 0.00 -1.51 0.00 0.00 72.50 69.73 2c9t s THR 78 CO 0.07 -0.21 1.18 -0.24 -2.21 0.00 0.00 174.62 173.21 2c9t n SER 79 N 0.27 1.93 0.30 8.08 2.88 -1.26 -0.25 113.62 125.56 2c9t n SER 79 Ca -0.18 1.17 0.20 0.00 -1.33 0.00 0.00 58.87 58.73 2c9t n SER 79 Cb 0.61 -1.35 0.96 0.00 -0.75 0.00 0.00 64.21 63.68 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 2.82 1.00 0.00 -1.46 0.00 -1.37 -1.87 119.26 118.37 2c9t h ALA 80 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2c9t h ALA 80 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2c9t h ALA 80 CO 0.66 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.91 2c9t h ALA 81 N 2.01 1.00 0.00 0.00 0.00 -1.89 -3.02 119.26 117.36 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 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 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 0.76 -4.29 0.00 8.00 -0.70 -4.87 116.55 112.87 2c9t n ASP 82 Ca 0.02 0.62 -0.16 0.00 0.71 0.00 0.00 54.79 55.97 2c9t n ASP 82 Cb 0.29 -0.80 -0.10 0.00 -0.02 0.00 0.00 41.12 40.48 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 -3.20 1.44 0.30 0.53 -4.36 -1.14 -5.00 121.20 109.77 2c9t s ILE 83 Ca 0.08 -2.10 -0.29 0.00 -0.26 0.00 0.00 60.65 58.08 2c9t s ILE 83 Cb 0.11 -1.91 -0.10 0.00 1.25 0.00 0.00 42.46 41.81 2c9t s ILE 83 CO 0.51 -0.65 1.30 0.86 0.24 0.00 0.00 174.94 177.20 2c9t s TRP 84 N -3.06 3.12 0.07 1.37 -0.00 -1.26 -4.96 118.94 114.21 2c9t s TRP 84 Ca 0.19 1.39 0.05 0.00 -0.00 0.00 0.00 56.10 57.72 2c9t s TRP 84 Cb 0.00 -3.65 -0.03 0.00 -0.00 0.00 0.00 33.47 29.80 2c9t s TRP 84 CO 0.04 -1.81 -0.14 0.95 -0.00 0.00 0.00 176.95 175.99 2c9t s THR 85 N -0.90 1.06 0.55 5.86 -4.23 -1.26 -5.11 115.64 111.61 2c9t s THR 85 Ca 0.50 -1.28 -0.20 0.00 -1.18 0.00 0.00 61.69 59.53 2c9t s THR 85 Cb -0.39 -1.02 -0.05 0.00 1.34 0.00 0.00 72.50 72.37 2c9t s THR 85 CO 0.49 -0.24 1.18 -2.16 -0.54 0.00 0.00 174.62 173.35 2c9t s PRO 86 N -1.72 3.27 -0.53 3.99 0.04 -1.26 -4.94 135.00 133.85 2c9t s PRO 86 Ca -0.03 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 62.73 2c9t s PRO 86 Cb -0.10 -2.06 0.11 0.00 0.04 0.00 0.00 34.50 32.49 2c9t s PRO 86 CO 0.02 -0.95 2.64 -0.40 0.04 0.00 0.00 177.00 178.36 2c9t n ASP 87 N -1.25 6.67 -4.69 6.66 5.75 -1.26 -4.96 116.55 123.47 2c9t n ASP 87 Ca 0.12 -3.31 -0.42 0.00 -0.01 0.00 0.00 54.79 51.16 2c9t n ASP 87 Cb 0.50 -1.21 -0.03 0.00 -1.03 0.00 0.00 41.12 39.35 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 -2.72 3.75 -0.00 2.12 -1.09 -1.26 -2.85 121.20 119.16 2c9t s ILE 88 Ca 0.58 1.13 0.01 0.00 -2.23 0.00 0.00 60.65 60.14 2c9t s ILE 88 Cb 0.39 -3.72 -0.00 0.00 -1.58 0.00 0.00 42.46 37.54 2c9t s ILE 88 CO -0.26 -0.01 -0.05 -0.89 -1.23 0.00 0.00 174.94 172.51 2c9t s THR 89 N 2.43 0.36 -0.09 2.92 2.01 0.95 -4.91 115.64 119.31 2c9t s THR 89 Ca 0.63 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 2c9t s THR 89 Cb -0.31 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 2c9t s THR 89 CO 0.26 0.07 1.42 0.00 -0.69 0.00 0.00 174.62 175.69 2c9t s ALA 90 N -0.17 3.63 -1.36 7.40 0.00 -1.26 -1.51 121.76 128.48 2c9t s ALA 90 Ca 0.01 0.71 0.24 0.00 0.00 0.00 0.00 51.96 52.92 2c9t s ALA 90 Cb -0.02 -3.66 1.17 0.00 0.00 0.00 0.00 23.12 20.61 2c9t s ALA 90 CO -0.00 -1.18 1.78 0.66 0.00 0.00 0.00 175.76 177.01 2c9t n TYR 91 N 6.49 0.00 -2.56 0.00 4.01 0.32 -3.80 117.16 121.62 2c9t n TYR 91 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 2c9t n TYR 91 Cb 0.44 -0.32 0.05 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.32 1.61 -4.75 7.72 3.41 -1.26 -5.00 113.62 114.02 2c9t n SER 92 Ca 0.10 -2.27 -0.33 0.00 -0.26 0.00 0.00 58.87 56.12 2c9t n SER 92 Cb 0.20 -0.40 0.07 0.00 -0.26 0.00 0.00 64.21 63.82 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 -3.04 4.67 0.00 4.04 1.04 -1.25 -1.50 113.70 117.67 2c9t s SER 93 Ca 0.32 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.82 2c9t s SER 93 Cb 0.36 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.92 2c9t s SER 93 CO -0.09 -1.93 0.20 0.35 0.98 0.00 0.00 173.24 172.75 2c9t n THR 94 N -2.78 0.00 -3.83 2.02 -2.24 -0.12 -4.81 114.28 102.53 2c9t n THR 94 Ca 0.11 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 2c9t n THR 94 Cb 0.52 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.65 0.84 0.31 -0.78 0.52 -1.25 -5.04 118.95 112.89 2c9t s ARG 95 Ca 0.00 -0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 54.07 2c9t s ARG 95 Cb 0.00 0.35 -0.12 0.00 0.52 0.00 0.00 34.95 35.70 2c9t s ARG 95 CO 0.01 -0.27 1.56 -2.30 0.02 0.00 0.00 175.30 174.32 2c9t n PRO 96 N 0.09 2.67 -1.72 3.54 -0.02 -1.26 -4.70 135.00 133.60 2c9t n PRO 96 Ca -0.16 0.95 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 2c9t n PRO 96 Cb 0.62 -2.71 -0.01 0.00 -0.02 0.00 0.00 33.50 31.37 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 1.75 1.60 -3.72 -1.45 0.31 -1.26 -4.87 118.33 110.68 2c9t n VAL 97 Ca 0.07 -0.40 -0.35 0.00 -0.01 0.00 0.00 64.34 63.65 2c9t n VAL 97 Cb 0.37 -1.74 -0.08 0.00 -0.91 0.00 0.00 33.84 31.48 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 -1.38 4.12 -0.05 5.55 -0.21 -0.47 -4.97 119.66 122.25 2c9t s GLN 98 Ca 0.59 -0.16 -0.18 0.00 0.02 0.00 0.00 55.36 55.63 2c9t s GLN 98 Cb -0.54 -3.40 -0.05 0.00 1.00 0.00 0.00 33.01 30.02 2c9t s GLN 98 CO 0.57 0.34 0.48 0.08 -2.12 0.00 0.00 175.29 174.65 2c9t s VAL 99 N 0.22 5.07 -0.28 1.09 1.01 -1.26 -0.94 120.40 125.32 2c9t s VAL 99 Ca 0.10 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.10 2c9t s VAL 99 Cb -0.11 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2c9t s VAL 99 CO -0.01 0.43 0.33 0.18 0.00 0.00 0.00 175.10 176.03 2c9t n LEU 100 N 2.87 0.61 -4.34 3.92 4.77 0.40 -4.95 117.00 120.27 2c9t n LEU 100 Ca -0.09 -0.70 -0.18 0.00 -0.03 0.00 0.00 56.01 55.01 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 0.41 0.14 -0.43 -0.94 -1.33 0.00 0.00 177.39 175.24 2c9t s SER 101 N -0.92 2.50 0.39 -1.43 1.04 -1.25 -4.92 113.70 109.11 2c9t s SER 101 Ca 0.02 -1.03 -0.27 0.00 0.48 0.00 0.00 55.95 55.15 2c9t s SER 101 Cb 0.03 -0.12 -0.11 0.00 0.10 0.00 0.00 66.02 65.92 2c9t s SER 101 CO 0.10 -0.20 1.33 -2.65 0.98 0.00 0.00 173.24 172.80 2c9t n PRO 102 N -0.38 2.16 -3.10 4.02 -0.02 -1.26 -4.88 135.00 131.54 2c9t n PRO 102 Ca -0.08 0.76 -0.45 0.00 -2.02 0.00 0.00 63.50 61.72 2c9t n PRO 102 Cb 0.61 -2.43 -0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 -2.09 4.06 -0.00 -0.52 -1.52 -1.26 -4.89 119.66 113.44 2c9t s GLN 103 Ca 0.58 -2.72 0.01 0.00 -1.95 0.00 0.00 55.36 51.27 2c9t s GLN 103 Cb -0.52 -4.84 -0.00 0.00 -0.22 0.00 0.00 33.01 27.43 2c9t s GLN 103 CO 0.61 -1.56 -0.04 0.42 -0.25 0.00 0.00 175.29 174.47 2c9t s ILE 104 N 0.62 0.28 0.22 1.08 1.01 -1.26 -0.98 121.20 122.16 2c9t s ILE 104 Ca 0.36 -0.18 0.11 0.00 0.00 0.00 0.00 60.65 60.94 2c9t s ILE 104 Cb -0.06 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.12 2c9t s ILE 104 CO -0.04 0.06 -0.15 0.00 0.00 0.00 0.00 174.94 174.81 2c9t s ALA 105 N -0.13 2.80 -0.13 9.38 0.00 0.65 -4.57 121.76 129.76 2c9t s ALA 105 Ca 0.01 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 2c9t s ALA 105 Cb -0.02 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 2c9t s ALA 105 CO -0.00 0.38 -0.01 0.08 0.00 0.00 0.00 175.76 176.21 2c9t s VAL 106 N -1.99 4.21 -0.07 0.00 1.01 0.05 -1.21 120.40 122.41 2c9t s VAL 106 Ca 0.26 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2c9t s VAL 106 Cb -0.07 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2c9t s VAL 106 CO 0.14 0.53 -0.19 -0.69 0.00 0.00 0.00 175.10 174.90 2c9t s VAL 107 N -0.13 1.61 0.33 2.92 1.01 0.02 -0.97 120.40 125.19 2c9t s VAL 107 Ca 0.04 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.32 2c9t s VAL 107 Cb -0.13 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2c9t s VAL 107 CO 0.02 0.46 0.11 0.42 0.00 0.00 0.00 175.10 176.11 2c9t s THR 108 N 0.29 3.08 0.39 3.92 -4.23 -0.34 -0.96 115.64 117.79 2c9t s THR 108 Ca -0.12 -1.75 0.39 0.00 -1.18 0.00 0.00 61.69 59.04 2c9t s THR 108 Cb -0.15 -2.95 0.42 0.00 1.34 0.00 0.00 72.50 71.16 2c9t s THR 108 CO 0.05 -0.22 2.19 1.12 -0.54 0.00 0.00 174.62 177.22 2c9t h HIS 109 N 1.62 0.00 0.00 3.99 2.07 -1.57 -0.55 115.15 120.71 2c9t h HIS 109 Ca -0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 2c9t h HIS 109 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 2c9t h HIS 109 CO 0.64 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.10 2c9t n ASP 110 N -3.09 0.00 0.00 3.10 5.75 -1.26 -1.77 116.55 119.28 2c9t n ASP 110 Ca -0.01 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 2c9t n ASP 110 Cb 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 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 0.70 0.73 3.73 6.12 0.00 -0.22 -4.69 105.19 111.56 2c9t n GLY 111 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.17 7.26 -0.07 1.61 0.01 -1.22 -1.00 113.70 118.13 2c9t s SER 112 Ca 0.00 2.02 0.05 0.00 1.31 0.00 0.00 55.95 59.34 2c9t s SER 112 Cb 0.00 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2c9t s SER 112 CO 0.00 -0.25 -0.24 -0.69 0.41 0.00 0.00 173.24 172.46 2c9t s VAL 113 N 0.09 2.04 -0.14 3.43 1.01 0.26 -1.20 120.40 125.89 2c9t s VAL 113 Ca 0.51 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.46 2c9t s VAL 113 Cb -0.28 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.38 2c9t s VAL 113 CO 0.33 0.56 -0.16 -0.32 0.00 0.00 0.00 175.10 175.51 2c9t s MET 114 N 0.02 2.41 -0.06 2.72 0.00 -0.15 -2.26 119.30 121.97 2c9t s MET 114 Ca -0.09 -0.61 0.01 0.00 0.00 0.00 0.00 55.69 55.00 2c9t s MET 114 Cb -0.15 -2.11 0.02 0.00 0.00 0.00 0.00 34.83 32.59 2c9t s MET 114 CO 0.05 -0.15 -0.08 0.12 0.00 0.00 0.00 175.02 174.97 2c9t s PHE 115 N 1.23 1.12 -0.56 4.11 5.36 -0.47 -0.77 117.98 128.01 2c9t s PHE 115 Ca -0.00 -0.40 0.05 0.00 -0.96 0.00 0.00 56.93 55.61 2c9t s PHE 115 Cb -0.14 -0.90 0.18 0.00 -0.34 0.00 0.00 43.02 41.82 2c9t s PHE 115 CO -0.07 -0.27 0.46 -0.89 -1.46 0.00 0.00 175.22 172.99 2c9t n ILE 116 N 4.12 0.37 -1.92 3.12 5.41 -1.26 -0.67 119.36 128.53 2c9t n ILE 116 Ca -0.22 -4.25 -0.42 0.00 1.00 0.00 0.00 62.75 58.86 2c9t n ILE 116 Cb 0.51 -1.95 -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 -0.93 4.19 0.07 0.38 0.04 -1.21 -4.75 135.00 132.79 2c9t s PRO 117 Ca 0.30 2.34 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 2c9t s PRO 117 Cb 0.03 -3.64 -0.05 0.00 0.04 0.00 0.00 34.50 30.88 2c9t s PRO 117 CO -0.16 -0.75 1.07 0.00 0.04 0.00 0.00 177.00 177.19 2c9t s ALA 118 N 2.78 3.28 0.01 8.56 0.00 -1.26 -1.12 121.76 134.01 2c9t s ALA 118 Ca 0.75 0.69 0.01 0.00 0.00 0.00 0.00 51.96 53.41 2c9t s ALA 118 Cb -0.40 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.35 2c9t s ALA 118 CO 0.32 -0.26 -0.04 -0.65 0.00 0.00 0.00 175.76 175.13 2c9t s GLN 119 N 0.64 0.33 -0.18 0.00 -0.21 0.28 -0.45 119.66 120.07 2c9t s GLN 119 Ca 0.53 -0.39 -0.05 0.00 0.02 0.00 0.00 55.36 55.48 2c9t s GLN 119 Cb -0.25 -0.18 -0.03 0.00 1.00 0.00 0.00 33.01 33.55 2c9t s GLN 119 CO 0.30 0.04 -0.01 0.50 -2.12 0.00 0.00 175.29 173.99 2c9t s ARG 120 N -0.77 3.67 -0.11 2.91 3.52 -0.11 -1.76 118.95 126.29 2c9t s ARG 120 Ca -0.05 -0.51 0.02 0.00 -0.13 0.00 0.00 55.73 55.06 2c9t s ARG 120 Cb -0.05 -3.01 0.01 0.00 -1.56 0.00 0.00 34.95 30.33 2c9t s ARG 120 CO -0.00 0.14 -0.19 -1.17 -0.81 0.00 0.00 175.30 173.27 2c9t s LEU 121 N 0.65 1.91 -0.17 -0.88 2.96 -0.41 -1.37 118.68 121.37 2c9t s LEU 121 Ca -0.01 -0.50 -0.15 0.00 -0.22 0.00 0.00 54.13 53.25 2c9t s LEU 121 Cb -0.14 -1.24 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 2c9t s LEU 121 CO 0.02 0.06 0.37 -0.44 -1.32 0.00 0.00 176.35 175.05 2c9t s SER 122 N 0.78 6.47 0.08 3.68 0.01 -1.26 -1.21 113.70 122.25 2c9t s SER 122 Ca -0.10 0.55 -0.02 0.00 1.31 0.00 0.00 55.95 57.69 2c9t s SER 122 Cb -0.16 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 2c9t s SER 122 CO 0.01 -0.00 0.03 0.72 0.41 0.00 0.00 173.24 174.40 2c9t s PHE 123 N 0.91 0.54 -0.21 2.43 -0.12 0.07 -0.94 117.98 120.66 2c9t s PHE 123 Ca 0.19 -1.04 -0.29 0.00 -0.05 0.00 0.00 56.93 55.75 2c9t s PHE 123 Cb -0.14 -0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 41.85 2c9t s PHE 123 CO 0.07 -0.44 1.97 -1.64 -0.05 0.00 0.00 175.22 175.13 2c9t s MET 124 N -3.94 3.45 -0.30 1.99 -1.94 -0.56 -1.29 119.30 116.71 2c9t s MET 124 Ca 0.11 1.91 -0.04 0.00 -1.71 0.00 0.00 55.69 55.95 2c9t s MET 124 Cb 0.07 -4.24 0.18 0.00 2.01 0.00 0.00 34.83 32.85 2c9t s MET 124 CO -0.07 -1.73 0.70 0.00 -0.01 0.00 0.00 175.02 173.90 2c9t s ASP 126 N 2.87 6.64 -0.03 0.00 -1.08 -1.26 -2.99 116.67 120.82 2c9t s ASP 126 Ca 0.14 0.70 0.14 0.00 -0.52 0.00 0.00 52.55 53.01 2c9t s ASP 126 Cb -0.14 -2.55 0.46 0.00 -1.46 0.00 0.00 42.92 39.24 2c9t s ASP 126 CO -0.19 -1.20 1.36 -0.81 0.52 0.00 0.00 175.17 174.85 2c9t n PRO 127 N 7.66 2.45 -2.15 4.34 -0.04 -1.26 -4.86 135.00 141.14 2c9t n PRO 127 Ca 0.13 -1.86 -0.42 0.00 -0.04 0.00 0.00 63.50 61.31 2c9t n PRO 127 Cb 0.48 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 2c9t n PRO 127 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2c9t s THR 128 N -1.51 3.58 0.00 0.52 -4.23 -1.26 -1.38 115.64 111.35 2c9t s THR 128 Ca 0.34 0.94 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 2c9t s THR 128 Cb 0.19 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.43 2c9t s THR 128 CO 0.20 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 2c9t n GLY 129 N 3.77 1.40 0.25 3.99 0.00 -1.26 -4.86 105.19 108.47 2c9t n GLY 129 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 1.28 0.00 1.61 3.04 -1.47 -2.87 116.25 117.84 2c9t h VAL 130 Ca 0.00 -1.39 -0.01 0.00 -1.01 0.00 0.00 66.70 64.29 2c9t h VAL 130 Cb 0.00 1.34 -0.00 0.00 -2.01 0.00 0.00 31.29 30.62 2c9t h VAL 130 CO 0.00 0.45 -0.05 -2.24 -1.01 0.00 0.00 177.57 174.72 2c9t h ASP 131 N 0.57 0.00 -4.09 3.17 2.03 -1.94 -0.68 116.42 115.47 2c9t h ASP 131 Ca 0.07 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.92 2c9t h ASP 131 Cb 0.77 0.00 0.14 0.00 -0.83 0.00 0.00 39.33 39.41 2c9t h ASP 131 CO 0.06 0.05 0.27 -0.94 -1.03 0.00 0.00 179.24 177.65 2c9t s SER 132 N -5.77 3.08 0.26 4.15 1.04 -1.09 -4.80 113.70 110.58 2c9t s SER 132 Ca -0.00 0.95 0.13 0.00 0.48 0.00 0.00 55.95 57.51 2c9t s SER 132 Cb 0.10 -1.49 0.19 0.00 0.10 0.00 0.00 66.02 64.92 2c9t s SER 132 CO 0.55 -2.82 1.50 -0.08 0.98 0.00 0.00 173.24 173.37 2c9t h GLU 133 N -1.68 0.00 0.00 4.02 4.81 -1.87 -2.95 114.58 116.91 2c9t h GLU 133 Ca -0.51 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.64 2c9t h GLU 133 Cb 1.33 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2c9t h GLU 133 CO 0.58 0.63 -0.38 1.05 -0.73 0.00 0.00 179.01 180.16 2c9t h GLU 134 N 0.00 0.00 0.00 1.92 9.09 -1.94 -3.50 114.58 120.15 2c9t h GLU 134 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 2c9t h GLU 134 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 2c9t h GLU 134 CO 0.08 0.38 0.00 0.41 0.05 0.00 0.00 179.01 179.93 2c9t n GLY 135 N 0.84 0.00 3.32 1.06 0.00 -1.12 -4.85 105.19 104.45 2c9t n GLY 135 Ca 0.01 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 2c9t n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c9t s VAL 136 N 0.00 1.75 -0.12 1.61 -7.23 0.11 -4.56 120.40 111.96 2c9t s VAL 136 Ca 0.00 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 2c9t s VAL 136 Cb 0.00 -1.83 -0.00 0.00 0.56 0.00 0.00 36.38 35.11 2c9t s VAL 136 CO 0.00 -0.36 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.34 2c9t s THR 137 N -2.17 2.41 0.19 5.32 2.01 -1.26 -0.35 115.64 121.79 2c9t s THR 137 Ca 0.16 -0.89 0.06 0.00 0.31 0.00 0.00 61.69 61.33 2c9t s THR 137 Cb -0.05 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 2c9t s THR 137 CO 0.06 0.54 -0.11 0.00 -0.69 0.00 0.00 174.62 174.42 2c9t s ALA 139 N -3.13 -0.90 -0.06 0.00 0.00 -1.26 -0.56 121.76 115.85 2c9t s ALA 139 Ca 0.22 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 2c9t s ALA 139 Cb 0.01 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.88 2c9t s ALA 139 CO 0.05 -0.22 0.12 0.54 0.00 0.00 0.00 175.76 176.25 2c9t s VAL 140 N -0.52 -0.09 0.14 0.00 0.11 -0.36 -4.90 120.40 114.79 2c9t s VAL 140 Ca -0.06 0.23 -0.23 0.00 -2.93 0.00 0.00 61.98 58.99 2c9t s VAL 140 Cb -0.04 -0.22 -0.08 0.00 -1.53 0.00 0.00 36.38 34.52 2c9t s VAL 140 CO 0.03 0.09 0.70 -0.54 -3.33 0.00 0.00 175.10 172.05 2c9t s LYS 141 N 1.39 4.41 -0.01 1.54 1.02 -1.26 -0.96 119.74 125.86 2c9t s LYS 141 Ca -0.06 0.99 0.08 0.00 0.02 0.00 0.00 55.97 56.99 2c9t s LYS 141 Cb -0.12 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 33.96 2c9t s LYS 141 CO -0.05 0.57 -0.26 -0.06 -0.92 0.00 0.00 175.35 174.63 2c9t s PHE 142 N -1.18 2.34 0.05 3.18 0.08 0.49 -0.52 117.98 122.42 2c9t s PHE 142 Ca 0.34 -0.43 -0.15 0.00 0.12 0.00 0.00 56.93 56.81 2c9t s PHE 142 Cb -0.21 -1.49 0.05 0.00 -0.57 0.00 0.00 43.02 40.80 2c9t s PHE 142 CO 0.23 -0.01 0.71 0.41 -0.10 0.00 0.00 175.22 176.47 2c9t n GLY 143 N 2.34 0.63 3.76 4.36 0.00 -0.57 -1.08 105.19 114.64 2c9t n GLY 143 Ca -0.16 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 2c9t n GLY 143 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2c9t s SER 144 N -2.63 5.50 0.07 1.61 0.15 -1.26 -0.04 113.70 117.10 2c9t s SER 144 Ca 0.16 2.36 0.02 0.00 0.70 0.00 0.00 55.95 59.19 2c9t s SER 144 Cb -0.01 -2.60 -0.25 0.00 -1.71 0.00 0.00 66.02 61.45 2c9t s SER 144 CO 0.02 -1.38 1.09 -0.25 1.20 0.00 0.00 173.24 173.91 2c9t h TRP 145 N 1.23 0.25 0.00 3.44 2.91 -1.89 -3.42 115.95 118.47 2c9t h TRP 145 Ca -0.50 -0.18 0.00 0.00 1.13 0.00 0.00 58.89 59.33 2c9t h TRP 145 Cb 1.28 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.92 2c9t h TRP 145 CO 0.49 1.17 0.00 1.33 -1.03 0.00 0.00 178.44 180.40 2c9t n VAL 146 N -3.40 0.00 -4.13 2.65 0.24 -1.26 -5.05 118.33 107.39 2c9t n VAL 146 Ca -0.08 -0.39 -0.34 0.00 -2.04 0.00 0.00 64.34 61.49 2c9t n VAL 146 Cb 1.00 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 34.27 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 -0.75 3.19 1.04 6.34 2.02 -1.26 -5.10 117.35 122.83 2c9t s TYR 147 Ca 0.00 -0.02 -0.14 0.00 -0.37 0.00 0.00 57.07 56.54 2c9t s TYR 147 Cb 0.00 -2.03 0.21 0.00 -0.40 0.00 0.00 41.96 39.74 2c9t s TYR 147 CO 0.00 0.12 1.11 -1.54 -1.57 0.00 0.00 175.55 173.67 2c9t s SER 148 N 0.30 2.26 0.54 2.29 1.04 -1.26 -4.65 113.70 114.21 2c9t s SER 148 Ca 0.02 0.98 0.36 0.00 0.48 0.00 0.00 55.95 57.78 2c9t s SER 148 Cb -0.13 -1.51 1.75 0.00 0.10 0.00 0.00 66.02 66.23 2c9t s SER 148 CO 0.01 -3.33 2.08 1.23 0.98 0.00 0.00 173.24 174.20 2c9t h GLY 149 N -2.03 0.00 2.00 7.32 0.00 -0.73 0.15 103.07 109.77 2c9t h GLY 149 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 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 -2.89 0.54 -0.07 5.60 3.72 -1.26 -3.70 117.46 119.40 2c9t n PHE 150 Ca -0.01 0.18 -0.14 0.00 -0.05 0.00 0.00 57.45 57.43 2c9t n PHE 150 Cb 0.17 -0.79 -0.05 0.00 -0.94 0.00 0.00 39.48 37.87 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 -1.96 0.28 -4.00 -1.08 1.02 -0.50 -4.22 120.64 110.18 2c9t n GLU 151 Ca 0.05 0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 57.00 2c9t n GLU 151 Cb 0.32 -0.97 -0.15 0.00 -0.02 0.00 0.00 31.44 30.62 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 -2.24 1.93 -0.04 -3.67 1.01 -0.08 -1.17 121.20 116.94 2c9t s ILE 152 Ca -0.18 -1.69 -0.28 0.00 0.00 0.00 0.00 60.65 58.50 2c9t s ILE 152 Cb 0.07 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 2c9t s ILE 152 CO 0.23 -0.24 0.90 -0.62 0.00 0.00 0.00 174.94 175.21 2c9t s ASP 153 N 1.17 7.23 -0.13 3.58 2.15 0.53 -3.96 116.67 127.24 2c9t s ASP 153 Ca -0.02 1.49 -0.06 0.00 0.43 0.00 0.00 52.55 54.39 2c9t s ASP 153 Cb -0.19 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 39.87 2c9t s ASP 153 CO -0.07 -0.25 0.09 -0.76 -0.17 0.00 0.00 175.17 174.00 2c9t s LEU 154 N 1.15 4.09 0.20 -1.34 1.43 -1.26 -0.76 118.68 122.19 2c9t s LEU 154 Ca 0.47 0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 53.84 2c9t s LEU 154 Cb -0.20 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2c9t s LEU 154 CO 0.23 0.35 0.22 -1.59 0.23 0.00 0.00 176.35 175.79 2c9t s LYS 155 N -0.66 1.24 0.15 1.70 -2.85 -0.30 -4.96 119.74 114.06 2c9t s LYS 155 Ca 0.12 -1.47 0.08 0.00 -1.00 0.00 0.00 55.97 53.70 2c9t s LYS 155 Cb -0.12 0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 35.94 2c9t s LYS 155 CO 0.02 -0.43 -0.19 0.95 0.10 0.00 0.00 175.35 175.80 2c9t s THR 156 N -4.09 1.77 -0.72 3.79 -4.23 -1.26 0.07 115.64 110.97 2c9t s THR 156 Ca 0.31 -1.82 0.25 0.00 -1.18 0.00 0.00 61.69 59.25 2c9t s THR 156 Cb 0.05 -1.76 0.06 0.00 1.34 0.00 0.00 72.50 72.19 2c9t s THR 156 CO 0.09 -0.26 1.39 0.47 -0.54 0.00 0.00 174.62 175.77 2c9t n ASP 157 N 0.50 0.64 -3.55 3.99 8.00 -1.26 -4.93 116.55 119.94 2c9t n ASP 157 Ca -0.15 0.10 -0.17 0.00 0.71 0.00 0.00 54.79 55.28 2c9t n ASP 157 Cb 0.56 0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.69 2c9t n ASP 157 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2c9t s THR 158 N -3.13 0.01 -2.33 -3.53 -1.32 -1.26 -5.02 115.64 99.06 2c9t s THR 158 Ca 0.08 -0.06 0.26 0.00 -1.21 0.00 0.00 61.69 60.76 2c9t s THR 158 Cb 0.14 -0.95 0.59 0.00 -1.51 0.00 0.00 72.50 70.77 2c9t s THR 158 CO 0.70 -0.03 1.78 0.47 -2.21 0.00 0.00 174.62 175.33 2c9t n ASP 159 N 1.00 1.18 -4.65 8.08 8.00 -1.26 -4.76 116.55 124.15 2c9t n ASP 159 Ca -0.19 -1.46 -0.38 0.00 0.71 0.00 0.00 54.79 53.48 2c9t n ASP 159 Cb 0.57 -0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.56 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 -1.95 4.08 0.25 -1.24 2.00 -1.26 -0.97 119.66 120.57 2c9t s GLN 160 Ca 0.38 -0.08 -0.30 0.00 -2.00 0.00 0.00 55.36 53.36 2c9t s GLN 160 Cb 0.20 -3.57 -0.10 0.00 0.80 0.00 0.00 33.01 30.34 2c9t s GLN 160 CO 0.32 -0.04 1.38 0.08 -0.50 0.00 0.00 175.29 176.52 2c9t s VAL 161 N 1.35 2.83 -0.41 1.34 1.01 -0.88 -4.84 120.40 120.79 2c9t s VAL 161 Ca 0.12 0.72 -0.28 0.00 0.00 0.00 0.00 61.98 62.54 2c9t s VAL 161 Cb -0.14 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2c9t s VAL 161 CO 0.07 0.12 1.65 -0.62 0.00 0.00 0.00 175.10 176.32 2c9t s ASP 162 N 0.18 5.98 -0.02 3.32 2.15 -0.73 -4.83 116.67 122.71 2c9t s ASP 162 Ca 0.56 0.93 0.10 0.00 0.43 0.00 0.00 52.55 54.58 2c9t s ASP 162 Cb -0.40 -2.53 0.30 0.00 -0.30 0.00 0.00 42.92 39.99 2c9t s ASP 162 CO 0.44 -1.71 1.24 0.18 -0.17 0.00 0.00 175.17 175.16 2c9t n LEU 163 N 10.06 2.92 0.31 -1.34 4.77 -1.26 -1.82 117.00 130.65 2c9t n LEU 163 Ca 0.20 -2.10 0.18 0.00 -0.03 0.00 0.00 56.01 54.25 2c9t n LEU 163 Cb 0.48 -0.24 1.01 0.00 -2.33 0.00 0.00 43.42 42.34 2c9t n LEU 163 CO 0.70 0.70 1.14 0.77 -1.33 0.00 0.00 177.39 179.37 2c9t h SER 164 N 1.79 0.00 -0.41 -1.43 4.64 -1.88 -2.30 113.55 113.97 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 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2c9t h SER 164 CO 0.02 0.01 0.00 -1.20 -0.87 0.00 0.00 176.83 174.79 2c9t n SER 165 N -3.57 3.33 -4.72 4.97 7.64 -1.26 -5.03 113.62 114.99 2c9t n SER 165 Ca -0.03 -2.17 -0.42 0.00 1.01 0.00 0.00 58.87 57.25 2c9t n SER 165 Cb 0.09 -0.33 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 2c9t n SER 165 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2c9t n TYR 166 N 0.56 2.72 -1.66 1.43 9.36 -0.87 -4.64 117.16 124.06 2c9t n TYR 166 Ca 0.16 0.08 -0.48 0.00 3.32 0.00 0.00 57.90 60.97 2c9t n TYR 166 Cb 0.55 -2.66 -0.05 0.00 -0.63 0.00 0.00 39.34 36.55 2c9t n TYR 166 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 2c9t n TYR 167 N 3.76 2.27 0.24 2.98 9.36 0.22 -4.87 117.16 131.12 2c9t n TYR 167 Ca 0.15 0.01 0.11 0.00 3.32 0.00 0.00 57.90 61.49 2c9t n TYR 167 Cb 0.34 -2.66 0.55 0.00 -0.63 0.00 0.00 39.34 36.95 2c9t n TYR 167 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2c9t h ALA 168 N 9.71 1.08 -0.49 2.98 0.00 -1.89 -2.84 119.26 127.81 2c9t h ALA 168 Ca -0.47 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.01 2c9t h ALA 168 Cb 1.27 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.88 2c9t h ALA 168 CO 0.95 0.23 0.02 0.43 0.00 0.00 0.00 179.25 180.88 2c9t n SER 169 N -3.42 2.91 -4.69 0.00 7.64 -1.26 -5.02 113.62 109.78 2c9t n SER 169 Ca -0.00 -3.77 -0.37 0.00 1.01 0.00 0.00 58.87 55.73 2c9t n SER 169 Cb 0.37 -0.67 0.07 0.00 -1.01 0.00 0.00 64.21 62.97 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 -1.11 1.52 0.12 6.43 2.88 -1.08 -4.92 113.62 117.46 2c9t n SER 170 Ca 0.39 0.79 0.12 0.00 -1.33 0.00 0.00 58.87 58.84 2c9t n SER 170 Cb 1.12 -1.50 0.47 0.00 -0.75 0.00 0.00 64.21 63.55 2c9t n SER 170 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2c9t n LYS 171 N -1.74 0.19 -4.72 -1.46 4.76 -1.26 -4.64 118.16 109.29 2c9t n LYS 171 Ca 0.15 0.38 -0.29 0.00 -2.87 0.00 0.00 58.31 55.68 2c9t n LYS 171 Cb 0.48 -1.84 -0.17 0.00 -1.84 0.00 0.00 35.03 31.67 2c9t n LYS 171 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2c9t s TYR 172 N -3.26 2.14 0.18 2.13 2.02 -1.26 -0.60 117.35 118.69 2c9t s TYR 172 Ca 0.05 -0.95 -0.08 0.00 -0.37 0.00 0.00 57.07 55.72 2c9t s TYR 172 Cb 0.10 -1.49 -0.06 0.00 -0.40 0.00 0.00 41.96 40.10 2c9t s TYR 172 CO 0.42 -0.44 0.47 -1.83 -1.57 0.00 0.00 175.55 172.59 2c9t s GLU 173 N 0.72 3.74 -0.19 -0.62 -1.05 -0.28 -4.82 118.70 116.20 2c9t s GLU 173 Ca -0.12 0.13 -0.17 0.00 -0.15 0.00 0.00 54.97 54.67 2c9t s GLU 173 Cb -0.16 -2.77 -0.04 0.00 -0.44 0.00 0.00 34.13 30.72 2c9t s GLU 173 CO 0.02 0.41 0.47 0.42 0.95 0.00 0.00 175.26 177.53 2c9t s ILE 174 N -1.70 5.15 -0.09 1.83 -1.09 -1.26 -2.13 121.20 121.91 2c9t s ILE 174 Ca 0.43 0.86 -0.17 0.00 -2.23 0.00 0.00 60.65 59.53 2c9t s ILE 174 Cb -0.12 -3.80 -0.28 0.00 -1.58 0.00 0.00 42.46 36.68 2c9t s ILE 174 CO 0.22 0.22 0.65 -0.07 -1.23 0.00 0.00 174.94 174.73 2c9t h LEU 175 N 7.72 0.42 -7.12 2.97 4.07 -0.84 -3.49 115.31 119.05 2c9t h LEU 175 Ca -0.35 -0.88 -0.00 0.00 0.08 0.00 0.00 57.88 56.73 2c9t h LEU 175 Cb 1.16 -0.14 -0.11 0.00 1.08 0.00 0.00 40.66 42.65 2c9t h LEU 175 CO 0.73 1.57 0.22 -0.94 -1.08 0.00 0.00 178.44 178.94 2c9t s SER 176 N -7.04 -0.53 -0.27 -0.43 1.04 -0.88 -4.99 113.70 100.61 2c9t s SER 176 Ca -0.18 -0.07 -0.10 0.00 0.48 0.00 0.00 55.95 56.08 2c9t s SER 176 Cb 0.04 0.61 0.11 0.00 0.10 0.00 0.00 66.02 66.88 2c9t s SER 176 CO 0.79 -1.00 0.60 0.00 0.98 0.00 0.00 173.24 174.60 2c9t s ALA 177 N -3.75 -1.80 0.23 5.32 0.00 -1.26 -1.24 121.76 119.26 2c9t s ALA 177 Ca 0.02 2.15 0.10 0.00 0.00 0.00 0.00 51.96 54.23 2c9t s ALA 177 Cb -0.02 -1.61 -0.05 0.00 0.00 0.00 0.00 23.12 21.45 2c9t s ALA 177 CO -0.11 -0.80 -0.18 0.95 0.00 0.00 0.00 175.76 175.62 2c9t s THR 178 N 2.63 2.08 -0.21 0.00 -4.23 -0.54 -2.08 115.64 113.28 2c9t s THR 178 Ca -0.06 -2.22 -0.03 0.00 -1.18 0.00 0.00 61.69 58.20 2c9t s THR 178 Cb -0.11 -2.11 0.07 0.00 1.34 0.00 0.00 72.50 71.69 2c9t s THR 178 CO -0.18 -0.44 0.06 0.00 -0.54 0.00 0.00 174.62 173.52 2c9t s GLN 179 N -3.38 0.54 -0.06 3.99 -2.07 -0.15 -1.37 119.66 117.17 2c9t s GLN 179 Ca 0.24 -0.46 0.03 0.00 -1.82 0.00 0.00 55.36 53.36 2c9t s GLN 179 Cb -0.04 -1.99 0.00 0.00 -1.09 0.00 0.00 33.01 29.90 2c9t s GLN 179 CO 0.10 -0.71 -0.16 0.99 -1.32 0.00 0.00 175.29 174.19 2c9t s THR 180 N 1.89 1.39 -0.07 3.63 2.01 -0.48 -4.14 115.64 119.88 2c9t s THR 180 Ca 0.01 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 2c9t s THR 180 Cb -0.17 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 2c9t s THR 180 CO -0.12 0.41 1.50 -0.60 -0.69 0.00 0.00 174.62 175.12 2c9t s ARG 181 N 0.31 4.21 -0.07 4.92 3.52 -1.26 -1.11 118.95 129.46 2c9t s ARG 181 Ca -0.10 2.01 0.01 0.00 -0.13 0.00 0.00 55.73 57.53 2c9t s ARG 181 Cb -0.14 -3.84 -0.03 0.00 -1.56 0.00 0.00 34.95 29.38 2c9t s ARG 181 CO 0.04 -0.76 -0.10 -0.65 -0.81 0.00 0.00 175.30 173.02 2c9t s GLN 182 N 3.57 2.78 -0.18 5.12 -0.21 0.64 -4.97 119.66 126.42 2c9t s GLN 182 Ca 0.67 -0.61 -0.00 0.00 0.02 0.00 0.00 55.36 55.44 2c9t s GLN 182 Cb -0.30 -2.54 0.01 0.00 1.00 0.00 0.00 33.01 31.17 2c9t s GLN 182 CO 0.25 0.58 -0.15 0.08 -2.12 0.00 0.00 175.29 173.94 2c9t s VAL 183 N -0.61 2.57 -0.12 1.09 1.01 -1.26 -1.24 120.40 121.84 2c9t s VAL 183 Ca 0.09 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 2c9t s VAL 183 Cb -0.11 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 2c9t s VAL 183 CO 0.02 0.50 0.02 -1.10 0.00 0.00 0.00 175.10 174.54 2c9t s GLN 184 N 1.16 3.38 0.23 2.72 -0.21 -0.00 -4.94 119.66 122.00 2c9t s GLN 184 Ca 0.01 -0.39 0.09 0.00 0.02 0.00 0.00 55.36 55.09 2c9t s GLN 184 Cb -0.14 -2.94 -0.04 0.00 1.00 0.00 0.00 33.01 30.88 2c9t s GLN 184 CO -0.06 0.53 0.02 -1.01 -2.12 0.00 0.00 175.29 172.65 2c9t s HIS 185 N -0.38 2.79 -0.11 0.91 3.76 -1.26 -0.61 115.29 120.39 2c9t s HIS 185 Ca 0.08 -0.18 0.02 0.00 -0.15 0.00 0.00 55.06 54.83 2c9t s HIS 185 Cb -0.12 -1.28 0.01 0.00 1.11 0.00 0.00 32.58 32.30 2c9t s HIS 185 CO 0.02 0.57 -0.18 0.71 -0.85 0.00 0.00 174.74 175.02 2c9t s TYR 186 N -2.10 2.20 0.09 1.40 2.02 -1.26 -5.01 117.35 114.68 2c9t s TYR 186 Ca 0.30 -1.04 0.02 0.00 -0.37 0.00 0.00 57.07 55.99 2c9t s TYR 186 Cb -0.08 -1.54 0.27 0.00 -0.40 0.00 0.00 41.96 40.22 2c9t s TYR 186 CO 0.20 -0.50 0.44 -1.13 -1.57 0.00 0.00 175.55 172.99 2c9t n SER 187 N 4.08 0.01 0.17 2.29 3.41 -1.26 -1.81 113.62 120.52 2c9t n SER 187 Ca -0.19 0.47 0.05 0.00 -0.26 0.00 0.00 58.87 58.94 2c9t n SER 187 Cb 0.51 -0.19 0.26 0.00 -0.26 0.00 0.00 64.21 64.53 2c9t n SER 187 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c9t h PRO 190 N 4.38 0.00 -6.66 0.00 0.11 -1.90 -3.39 132.00 124.53 2c9t h PRO 190 Ca -0.36 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.24 2c9t h PRO 190 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2c9t h PRO 190 CO 0.42 0.30 0.39 -1.83 -0.21 0.00 0.00 178.00 177.08 2c9t s GLU 191 N -3.05 4.72 0.47 1.05 1.03 -1.26 -4.99 118.70 116.67 2c9t s GLU 191 Ca 0.03 1.56 -0.20 0.00 0.03 0.00 0.00 54.97 56.39 2c9t s GLU 191 Cb 0.07 -3.31 -0.09 0.00 -0.80 0.00 0.00 34.13 30.00 2c9t s GLU 191 CO 0.74 0.27 1.00 -1.25 -1.33 0.00 0.00 175.26 174.70 2c9t s PRO 192 N -0.57 3.96 -0.27 -4.83 0.04 -1.26 -4.60 135.00 127.47 2c9t s PRO 192 Ca 0.45 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 2c9t s PRO 192 Cb -0.26 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 32.19 2c9t s PRO 192 CO 0.33 -0.28 -0.04 0.71 0.04 0.00 0.00 177.00 177.75 2c9t s TYR 193 N -2.10 3.15 -0.10 0.56 2.02 0.22 -0.23 117.35 120.87 2c9t s TYR 193 Ca 0.65 -1.73 -0.02 0.00 -0.37 0.00 0.00 57.07 55.60 2c9t s TYR 193 Cb -0.13 -2.06 -0.03 0.00 -0.40 0.00 0.00 41.96 39.33 2c9t s TYR 193 CO 0.18 -0.77 -0.00 0.42 -1.57 0.00 0.00 175.55 173.81 2c9t s ILE 194 N 1.28 4.28 0.25 2.71 1.01 -1.26 -0.82 121.20 128.65 2c9t s ILE 194 Ca -0.02 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2c9t s ILE 194 Cb -0.18 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 2c9t s ILE 194 CO -0.03 0.59 0.10 1.51 0.00 0.00 0.00 174.94 177.11 2c9t s ASP 195 N -0.70 1.06 -0.27 3.58 1.47 -0.37 -4.65 116.67 116.78 2c9t s ASP 195 Ca 0.11 -1.39 -0.01 0.00 1.18 0.00 0.00 52.55 52.44 2c9t s ASP 195 Cb -0.12 0.19 0.04 0.00 -0.34 0.00 0.00 42.92 42.70 2c9t s ASP 195 CO 0.02 -0.75 -0.04 -0.69 0.68 0.00 0.00 175.17 174.40 2c9t s VAL 196 N -3.81 2.85 -0.25 2.11 1.01 -0.24 -0.26 120.40 121.81 2c9t s VAL 196 Ca 0.38 -1.26 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 2c9t s VAL 196 Cb 0.08 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 2c9t s VAL 196 CO 0.13 0.03 0.82 0.21 0.00 0.00 0.00 175.10 176.29 2c9t s ASN 197 N 1.27 6.80 -0.38 3.32 2.47 -0.27 -0.38 114.94 127.76 2c9t s ASN 197 Ca -0.03 0.97 -0.14 0.00 0.42 0.00 0.00 52.86 54.08 2c9t s ASN 197 Cb -0.18 -2.43 0.00 0.00 -1.45 0.00 0.00 41.25 37.19 2c9t s ASN 197 CO -0.03 -0.53 0.27 -0.22 -3.72 0.00 0.00 177.10 172.88 2c9t s LEU 198 N 2.85 4.85 -0.19 3.21 2.96 -0.14 -1.38 118.68 130.84 2c9t s LEU 198 Ca 0.34 -0.70 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2c9t s LEU 198 Cb -0.15 -2.15 -0.00 0.00 0.50 0.00 0.00 46.19 44.39 2c9t s LEU 198 CO 0.08 -0.36 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.96 2c9t s VAL 199 N 1.69 2.92 -0.13 1.68 1.01 -0.47 -1.22 120.40 125.89 2c9t s VAL 199 Ca 0.05 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2c9t s VAL 199 Cb -0.18 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.93 2c9t s VAL 199 CO 0.10 0.48 -0.15 -0.69 0.00 0.00 0.00 175.10 174.84 2c9t s VAL 200 N 1.19 1.53 -0.21 2.92 1.01 0.28 -1.47 120.40 125.65 2c9t s VAL 200 Ca 0.02 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 2c9t s VAL 200 Cb -0.14 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2c9t s VAL 200 CO -0.04 0.45 0.08 -0.75 0.00 0.00 0.00 175.10 174.84 2c9t s LYS 201 N 1.23 3.93 0.18 2.72 2.20 -0.37 -1.21 119.74 128.41 2c9t s LYS 201 Ca -0.01 -0.36 -0.14 0.00 -0.36 0.00 0.00 55.97 55.10 2c9t s LYS 201 Cb -0.14 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 32.89 2c9t s LYS 201 CO -0.06 0.14 0.42 -0.59 -0.36 0.00 0.00 175.35 174.90 2c9t s PHE 202 N 0.76 0.07 0.22 4.03 -0.12 0.52 -0.07 117.98 123.39 2c9t s PHE 202 Ca 0.04 -0.42 -0.12 0.00 -0.05 0.00 0.00 56.93 56.38 2c9t s PHE 202 Cb -0.13 0.21 -0.00 0.00 -0.63 0.00 0.00 43.02 42.46 2c9t s PHE 202 CO 0.02 -0.82 0.43 -0.98 -0.05 0.00 0.00 175.22 173.82 2c9t s ARG 203 N -3.90 1.44 0.48 1.99 1.70 -0.91 0.04 118.95 119.79 2c9t s ARG 203 Ca 0.12 -1.21 -0.24 0.00 -0.47 0.00 0.00 55.73 53.92 2c9t s ARG 203 Cb 0.01 0.45 -0.07 0.00 -0.57 0.00 0.00 34.95 34.76 2c9t s ARG 203 CO -0.03 -0.58 1.34 0.39 -1.08 0.00 0.00 175.30 175.34 2c9t n GLU 204 N -0.34 1.91 -0.92 3.89 1.02 -0.26 -1.13 120.64 124.81 2c9t n GLU 204 Ca -0.03 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 2c9t n GLU 204 Cb 0.62 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 2c9t n GLU 204 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18