#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 -0.43 -0.75 2.61 0.00 -2.03 0.86 119.26 119.51 2c9t h ALA 2 Ca 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2c9t h ALA 2 Cb 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2c9t h ALA 2 CO 0.00 -0.76 0.25 -0.91 0.00 0.00 0.00 179.25 177.83 2c9t h ASN 3 N -0.45 1.08 -0.58 0.00 2.35 -1.99 -1.56 115.58 114.43 2c9t h ASN 3 Ca -0.02 -0.19 -0.10 0.00 -0.55 0.00 0.00 56.30 55.44 2c9t h ASN 3 Cb 0.40 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 2c9t h ASN 3 CO -0.01 0.99 -0.04 0.25 -1.65 0.00 0.00 177.43 176.97 2c9t h LEU 4 N 1.11 1.03 -0.86 1.61 5.85 -1.83 -0.64 115.31 121.58 2c9t h LEU 4 Ca 0.25 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.66 2c9t h LEU 4 Cb 0.28 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 2c9t h LEU 4 CO -0.01 1.11 0.56 0.24 -0.34 0.00 0.00 178.44 180.00 2c9t h MET 5 N 0.93 1.10 -0.38 1.25 2.86 -0.47 -1.84 114.93 118.38 2c9t h MET 5 Ca 0.16 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 2c9t h MET 5 Cb 0.60 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2c9t h MET 5 CO 0.04 0.73 -0.08 -0.09 1.06 0.00 0.00 176.91 178.57 2c9t h ARG 6 N 1.13 0.73 -0.38 1.72 2.43 -1.02 -2.12 114.38 116.87 2c9t h ARG 6 Ca 0.33 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2c9t h ARG 6 Cb -0.08 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 2c9t h ARG 6 CO -0.09 0.86 0.23 1.25 -1.51 0.00 0.00 179.97 180.72 2c9t h LEU 7 N 0.54 0.45 -0.35 3.80 5.85 -0.91 -0.85 115.31 123.83 2c9t h LEU 7 Ca 0.10 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2c9t h LEU 7 Cb 0.59 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 2c9t h LEU 7 CO 0.03 0.37 0.14 0.11 -0.34 0.00 0.00 178.44 178.75 2c9t h LYS 8 N 0.49 0.53 -0.15 1.25 1.57 -1.31 0.57 116.57 119.52 2c9t h LYS 8 Ca 0.14 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2c9t h LYS 8 Cb -0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2c9t h LYS 8 CO -0.03 0.52 -0.00 1.03 -0.57 0.00 0.00 179.45 180.40 2c9t h SER 9 N 0.43 -0.06 -0.10 0.86 0.87 -1.34 0.16 113.55 114.37 2c9t h SER 9 Ca 0.12 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 2c9t h SER 9 Cb 0.18 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2c9t h SER 9 CO -0.01 -0.01 -0.02 0.44 -0.53 0.00 0.00 176.83 176.70 2c9t h ASP 10 N 0.05 -0.08 0.00 6.23 3.32 -1.04 0.13 116.42 125.03 2c9t h ASP 10 Ca 0.07 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 2c9t h ASP 10 Cb 0.08 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2c9t h ASP 10 CO -0.12 -0.02 -0.32 -0.07 -1.72 0.00 0.00 179.24 176.99 2c9t h LEU 11 N 0.01 0.47 0.00 1.55 3.38 -0.63 -3.36 115.31 116.73 2c9t h LEU 11 Ca 0.05 -0.18 -0.26 0.00 0.09 0.00 0.00 57.88 57.58 2c9t h LEU 11 Cb 0.07 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2c9t h LEU 11 CO -0.09 0.77 -1.99 0.49 0.09 0.00 0.00 178.44 177.71 2c9t n PHE 12 N -4.08 0.00 0.14 1.13 3.72 0.55 -4.69 117.46 114.22 2c9t n PHE 12 Ca -0.01 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.48 2c9t n PHE 12 Cb 0.45 -0.71 0.17 0.00 -0.94 0.00 0.00 39.48 38.45 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 -2.58 3.03 -0.01 4.37 3.02 0.46 -4.51 115.26 119.05 2c9t n ASN 13 Ca -0.24 -1.88 0.09 0.00 -0.03 0.00 0.00 54.58 52.51 2c9t n ASN 13 Cb 0.96 -0.21 -0.13 0.00 -0.61 0.00 0.00 39.78 39.79 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 1.03 0.74 -4.17 3.52 1.74 -1.24 -5.01 116.66 113.28 2c9t n ARG 14 Ca 0.15 -0.12 -0.11 0.00 -0.77 0.00 0.00 57.85 57.00 2c9t n ARG 14 Cb 0.49 -1.39 -0.10 0.00 -1.02 0.00 0.00 32.46 30.43 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 -3.67 1.06 0.70 0.55 0.15 -1.26 -5.12 113.70 106.11 2c9t s SER 15 Ca -0.03 -1.04 -0.16 0.00 0.70 0.00 0.00 55.95 55.42 2c9t s SER 15 Cb 0.12 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.56 2c9t s SER 15 CO 0.73 -0.50 1.26 -2.84 1.20 0.00 0.00 173.24 173.09 2c9t s PRO 16 N -3.86 2.25 0.71 5.44 0.02 -1.26 -4.96 135.00 133.35 2c9t s PRO 16 Ca 0.14 1.93 -0.14 0.00 0.02 0.00 0.00 61.00 62.95 2c9t s PRO 16 Cb 0.06 -1.83 0.03 0.00 0.02 0.00 0.00 34.50 32.78 2c9t s PRO 16 CO -0.04 -1.79 1.12 1.41 -0.33 0.00 0.00 177.00 177.38 2c9t s MET 17 N -3.65 2.46 -0.16 5.54 1.75 -1.26 -4.93 119.30 119.05 2c9t s MET 17 Ca 0.79 1.42 -0.39 0.00 -1.25 0.00 0.00 55.69 56.25 2c9t s MET 17 Cb -0.34 -1.90 -0.16 0.00 2.84 0.00 0.00 34.83 35.26 2c9t s MET 17 CO 0.43 -1.52 1.58 0.98 -0.65 0.00 0.00 175.02 175.84 2c9t n TYR 18 N -2.81 1.81 1.50 4.11 9.36 -1.26 -4.87 117.16 125.00 2c9t n TYR 18 Ca 0.11 0.61 0.02 0.00 3.32 0.00 0.00 57.90 61.96 2c9t n TYR 18 Cb 0.52 -2.39 0.06 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 4.22 1.33 0.00 2.98 -0.04 -1.26 -4.84 135.00 137.39 2c9t n PRO 19 Ca 0.24 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 2c9t n PRO 19 Cb 0.14 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.63 -1.02 3.76 0.55 0.00 -1.26 -5.01 105.19 102.84 2c9t n GLY 20 Ca 0.04 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.91 1.67 0.27 1.61 0.04 -1.26 -5.05 135.00 130.35 2c9t s PRO 21 Ca 0.00 0.74 0.03 0.00 0.04 0.00 0.00 61.00 61.82 2c9t s PRO 21 Cb 0.00 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 2c9t s PRO 21 CO 0.00 -1.94 0.20 0.95 0.04 0.00 0.00 177.00 176.26 2c9t s THR 22 N -3.04 0.02 0.24 1.26 -4.23 -1.14 -4.99 115.64 103.77 2c9t s THR 22 Ca 0.62 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.08 2c9t s THR 22 Cb -0.16 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.38 2c9t s THR 22 CO 0.56 0.00 1.79 0.11 -0.54 0.00 0.00 174.62 176.54 2c9t h LYS 23 N 2.36 0.67 -0.11 3.99 1.57 -1.92 -1.50 116.57 121.63 2c9t h LYS 23 Ca -0.30 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.37 2c9t h LYS 23 Cb 1.24 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2c9t h LYS 23 CO 0.45 0.44 -0.24 -0.44 -0.57 0.00 0.00 179.45 179.09 2c9t h ASP 24 N 0.69 0.18 -2.07 0.86 3.32 -1.96 -3.34 116.42 114.10 2c9t h ASP 24 Ca 0.39 -0.05 -0.57 0.00 0.02 0.00 0.00 57.03 56.82 2c9t h ASP 24 Cb 0.42 -0.05 -0.40 0.00 0.22 0.00 0.00 39.33 39.52 2c9t h ASP 24 CO -0.28 0.43 -0.98 0.47 -1.72 0.00 0.00 179.24 177.17 2c9t n ASP 25 N -4.19 1.05 -4.81 6.45 8.00 -0.83 -5.13 116.55 117.10 2c9t n ASP 25 Ca -0.01 -2.87 -0.30 0.00 0.71 0.00 0.00 54.79 52.32 2c9t n ASP 25 Cb 0.34 -0.65 0.10 0.00 -0.02 0.00 0.00 41.12 40.89 2c9t n ASP 25 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2c9t s PRO 26 N -1.47 1.96 0.00 -0.24 0.04 -0.63 -2.88 135.00 131.79 2c9t s PRO 26 Ca 0.36 0.55 -0.00 0.00 0.04 0.00 0.00 61.00 61.95 2c9t s PRO 26 Cb 0.16 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.79 2c9t s PRO 26 CO -0.09 -1.69 -0.00 -1.17 0.04 0.00 0.00 177.00 174.09 2c9t s LEU 27 N -5.79 2.03 -0.20 -3.56 2.96 -0.30 -4.95 118.68 108.86 2c9t s LEU 27 Ca 0.61 -0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 54.35 2c9t s LEU 27 Cb -0.14 0.03 -0.04 0.00 0.50 0.00 0.00 46.19 46.54 2c9t s LEU 27 CO 0.54 -0.06 0.10 -0.89 -1.32 0.00 0.00 176.35 174.72 2c9t s THR 28 N -0.27 5.06 -0.18 3.68 2.01 -1.26 -0.40 115.64 124.28 2c9t s THR 28 Ca -0.03 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 2c9t s THR 28 Cb -0.02 -3.31 -0.00 0.00 0.01 0.00 0.00 72.50 69.17 2c9t s THR 28 CO -0.00 0.42 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.55 2c9t s VAL 29 N 0.58 2.91 -0.23 3.82 1.01 -0.40 -4.33 120.40 123.76 2c9t s VAL 29 Ca 0.06 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 2c9t s VAL 29 Cb -0.12 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 2c9t s VAL 29 CO 0.01 0.49 0.16 -0.89 0.00 0.00 0.00 175.10 174.87 2c9t s THR 30 N 1.02 5.36 -0.10 3.92 2.01 0.52 -1.45 115.64 126.92 2c9t s THR 30 Ca -0.01 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.18 2c9t s THR 30 Cb -0.15 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 2c9t s THR 30 CO -0.02 0.36 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.44 2c9t s LEU 31 N 0.96 3.12 0.00 4.42 1.43 0.66 -1.15 118.68 128.13 2c9t s LEU 31 Ca 0.08 -0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 2c9t s LEU 31 Cb -0.13 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.39 2c9t s LEU 31 CO 0.04 0.28 0.14 -0.83 0.23 0.00 0.00 176.35 176.20 2c9t s GLY 32 N -0.30 0.04 -0.10 -3.19 0.00 -0.72 -4.30 107.32 98.75 2c9t s GLY 32 Ca 0.04 -0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.67 2c9t s GLY 32 CO 0.02 -0.24 -0.15 -1.36 0.00 0.00 0.00 173.10 171.37 2c9t s PHE 33 N -1.33 2.73 -0.42 1.90 0.08 -1.26 -0.87 117.98 118.81 2c9t s PHE 33 Ca -0.14 -0.57 -0.10 0.00 0.12 0.00 0.00 56.93 56.24 2c9t s PHE 33 Cb -0.07 -1.76 0.07 0.00 -0.57 0.00 0.00 43.02 40.69 2c9t s PHE 33 CO 0.02 -0.14 0.26 0.99 -0.10 0.00 0.00 175.22 176.25 2c9t s THR 34 N 0.04 4.34 -0.19 0.64 2.01 -0.65 -0.78 115.64 121.04 2c9t s THR 34 Ca -0.06 -1.32 -0.25 0.00 0.31 0.00 0.00 61.69 60.38 2c9t s THR 34 Cb -0.15 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 2c9t s THR 34 CO 0.05 -0.48 0.82 -0.22 -0.69 0.00 0.00 174.62 174.09 2c9t s LEU 35 N 1.45 4.15 -0.18 4.42 2.96 -0.59 -0.62 118.68 130.27 2c9t s LEU 35 Ca 0.03 1.12 0.17 0.00 -0.22 0.00 0.00 54.13 55.22 2c9t s LEU 35 Cb -0.23 -3.20 -0.24 0.00 0.50 0.00 0.00 46.19 43.02 2c9t s LEU 35 CO 0.03 -0.43 0.08 1.67 -1.32 0.00 0.00 176.35 176.38 2c9t n GLN 36 N 5.44 0.91 -3.65 1.98 7.27 -0.00 -3.55 117.38 125.79 2c9t n GLN 36 Ca 0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 57.00 57.09 2c9t n GLN 36 Cb 0.48 -1.48 -0.06 0.00 2.41 0.00 0.00 30.24 31.59 2c9t n GLN 36 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2c9t s ASP 37 N -5.28 -0.20 -0.46 1.69 2.15 -0.95 -0.68 116.67 112.94 2c9t s ASP 37 Ca -0.09 0.34 -0.21 0.00 0.43 0.00 0.00 52.55 53.02 2c9t s ASP 37 Cb 0.06 0.83 0.03 0.00 -0.30 0.00 0.00 42.92 43.54 2c9t s ASP 37 CO 0.77 -0.06 0.67 -0.63 -0.17 0.00 0.00 175.17 175.76 2c9t s ILE 38 N 0.78 4.79 -0.07 4.11 1.01 -1.26 -0.50 121.20 130.06 2c9t s ILE 38 Ca -0.03 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 2c9t s ILE 38 Cb -0.03 -4.25 -0.29 0.00 0.01 0.00 0.00 42.46 37.89 2c9t s ILE 38 CO -0.12 -0.67 0.59 0.58 0.00 0.00 0.00 174.94 175.32 2c9t h VAL 39 N 5.89 0.88 -3.03 2.92 2.07 -1.10 -3.41 116.25 120.48 2c9t h VAL 39 Ca -0.26 -2.46 -0.13 0.00 0.82 0.00 0.00 66.70 64.67 2c9t h VAL 39 Cb 1.09 2.70 -0.22 0.00 -1.52 0.00 0.00 31.29 33.35 2c9t h VAL 39 CO 0.92 0.85 -0.31 -0.75 0.02 0.00 0.00 177.57 178.30 2c9t s LYS 40 N -2.56 0.55 -0.00 1.57 2.20 -1.21 -4.94 119.74 115.35 2c9t s LYS 40 Ca -0.18 0.04 0.05 0.00 -0.36 0.00 0.00 55.97 55.51 2c9t s LYS 40 Cb 0.05 0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.61 2c9t s LYS 40 CO 0.83 -0.13 -0.15 0.08 -0.36 0.00 0.00 175.35 175.62 2c9t s VAL 41 N -0.78 1.18 -0.27 4.02 1.01 -1.26 -0.84 120.40 123.46 2c9t s VAL 41 Ca -0.09 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2c9t s VAL 41 Cb -0.04 -0.99 0.09 0.00 0.00 0.00 0.00 36.38 35.43 2c9t s VAL 41 CO 0.03 0.29 0.08 -0.62 0.00 0.00 0.00 175.10 174.88 2c9t s ASP 42 N -0.46 3.65 0.00 3.32 -1.08 -0.17 -4.98 116.67 116.95 2c9t s ASP 42 Ca 0.05 -1.36 0.28 0.00 -0.52 0.00 0.00 52.55 51.01 2c9t s ASP 42 Cb -0.06 -0.71 1.27 0.00 -1.46 0.00 0.00 42.92 41.95 2c9t s ASP 42 CO -0.00 -0.39 1.93 -1.54 0.52 0.00 0.00 175.17 175.69 2c9t n SER 43 N 4.96 0.00 0.13 -0.34 3.41 -1.26 0.22 113.62 120.75 2c9t n SER 43 Ca -0.05 0.36 0.12 0.00 -0.26 0.00 0.00 58.87 59.05 2c9t n SER 43 Cb 0.43 -0.45 0.19 0.00 -0.26 0.00 0.00 64.21 64.12 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 -3.38 113.55 116.89 2c9t h SER 44 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2c9t h SER 44 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2c9t h SER 44 CO 0.00 0.03 0.00 0.35 -0.87 0.00 0.00 176.83 176.34 2c9t n THR 45 N -2.57 0.00 -3.70 2.95 -2.24 -1.15 -5.04 114.28 102.53 2c9t n THR 45 Ca 0.03 -0.36 -0.25 0.00 -2.27 0.00 0.00 64.05 61.21 2c9t n THR 45 Cb 0.49 1.02 0.03 0.00 -2.10 0.00 0.00 70.33 69.77 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 -0.68 -2.79 -4.28 3.42 4.13 0.13 -4.91 115.26 110.30 2c9t n ASN 46 Ca 0.00 -0.91 -0.29 0.00 1.68 0.00 0.00 54.58 55.07 2c9t n ASN 46 Cb 0.00 -3.77 -0.16 0.00 -1.54 0.00 0.00 39.78 34.32 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 -5.94 1.85 0.01 3.52 2.02 -1.14 -0.88 118.70 118.14 2c9t s GLU 47 Ca 0.19 -0.89 0.05 0.00 0.02 0.00 0.00 54.97 54.34 2c9t s GLU 47 Cb -0.06 -1.83 -0.02 0.00 0.10 0.00 0.00 34.13 32.33 2c9t s GLU 47 CO 0.83 0.50 -0.15 0.08 0.02 0.00 0.00 175.26 176.54 2c9t s VAL 48 N -0.61 1.18 -0.19 2.63 1.01 -0.36 -1.00 120.40 123.06 2c9t s VAL 48 Ca 0.09 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 2c9t s VAL 48 Cb -0.09 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 2c9t s VAL 48 CO -0.00 0.22 -0.05 -1.81 0.00 0.00 0.00 175.10 173.46 2c9t s ASP 49 N -0.66 4.45 0.03 3.32 1.01 -0.02 -1.61 116.67 123.19 2c9t s ASP 49 Ca 0.05 -0.30 0.05 0.00 0.71 0.00 0.00 52.55 53.06 2c9t s ASP 49 Cb -0.07 -1.74 -0.03 0.00 1.01 0.00 0.00 42.92 42.09 2c9t s ASP 49 CO 0.00 0.06 -0.12 -0.76 0.21 0.00 0.00 175.17 174.56 2c9t s LEU 50 N 1.02 2.92 -0.14 1.23 1.43 -0.46 -0.42 118.68 124.25 2c9t s LEU 50 Ca 0.01 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2c9t s LEU 50 Cb -0.15 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 2c9t s LEU 50 CO 0.00 0.26 -0.17 -0.69 0.23 0.00 0.00 176.35 175.99 2c9t s VAL 51 N -0.98 2.62 0.18 -1.59 1.01 0.34 -1.44 120.40 120.54 2c9t s VAL 51 Ca 0.16 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 2c9t s VAL 51 Cb -0.11 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.20 2c9t s VAL 51 CO 0.07 0.53 0.43 -0.72 0.00 0.00 0.00 175.10 175.41 2c9t s TYR 52 N 0.64 0.08 -0.20 5.22 -0.85 -1.00 -0.82 117.35 120.41 2c9t s TYR 52 Ca -0.09 -0.43 -0.08 0.00 -0.52 0.00 0.00 57.07 55.95 2c9t s TYR 52 Cb -0.16 0.22 -0.04 0.00 0.38 0.00 0.00 41.96 42.36 2c9t s TYR 52 CO 0.03 -0.85 0.08 0.71 -1.52 0.00 0.00 175.55 174.00 2c9t s TYR 53 N -3.91 3.22 -0.47 -3.49 2.02 0.21 -1.36 117.35 113.57 2c9t s TYR 53 Ca 0.12 0.00 -0.12 0.00 -0.37 0.00 0.00 57.07 56.71 2c9t s TYR 53 Cb 0.01 -2.14 0.10 0.00 -0.40 0.00 0.00 41.96 39.53 2c9t s TYR 53 CO -0.02 0.04 0.36 -2.00 -1.57 0.00 0.00 175.55 172.37 2c9t s GLU 54 N 0.70 2.69 0.02 -0.62 2.12 -0.24 -1.64 118.70 121.74 2c9t s GLU 54 Ca 0.04 -1.60 -0.30 0.00 0.36 0.00 0.00 54.97 53.46 2c9t s GLU 54 Cb -0.13 -3.99 -0.05 0.00 0.26 0.00 0.00 34.13 30.22 2c9t s GLU 54 CO 0.02 -1.13 1.26 -0.65 -0.54 0.00 0.00 175.26 174.22 2c9t s GLN 55 N 1.47 4.37 -0.04 4.30 -0.21 -0.05 -3.11 119.66 126.39 2c9t s GLN 55 Ca 0.04 1.81 0.03 0.00 0.02 0.00 0.00 55.36 57.26 2c9t s GLN 55 Cb -0.26 -3.45 0.00 0.00 1.00 0.00 0.00 33.01 30.31 2c9t s GLN 55 CO 0.02 -0.40 -0.12 -0.65 -2.12 0.00 0.00 175.29 172.02 2c9t s GLN 56 N 1.70 1.32 -0.01 2.91 -0.21 -0.22 -1.75 119.66 123.40 2c9t s GLN 56 Ca 0.59 -0.41 0.03 0.00 0.02 0.00 0.00 55.36 55.59 2c9t s GLN 56 Cb -0.29 -1.17 -0.00 0.00 1.00 0.00 0.00 33.01 32.54 2c9t s GLN 56 CO 0.27 0.13 -0.09 1.03 -2.12 0.00 0.00 175.29 174.51 2c9t s ARG 57 N 0.24 0.79 0.37 2.91 0.52 -0.30 -0.92 118.95 122.56 2c9t s ARG 57 Ca -0.05 -0.32 -0.09 0.00 -0.52 0.00 0.00 55.73 54.75 2c9t s ARG 57 Cb -0.11 -0.75 0.03 0.00 0.52 0.00 0.00 34.95 34.64 2c9t s ARG 57 CO 0.01 0.18 0.64 1.67 0.02 0.00 0.00 175.30 177.82 2c9t s TRP 58 N -0.12 0.60 -0.12 -0.53 -2.14 -1.00 -0.36 118.94 115.26 2c9t s TRP 58 Ca 0.02 -1.06 -0.06 0.00 2.66 0.00 0.00 56.10 57.66 2c9t s TRP 58 Cb -0.05 0.38 0.05 0.00 -3.10 0.00 0.00 33.47 30.76 2c9t s TRP 58 CO -0.00 -1.37 0.29 0.21 -2.66 0.00 0.00 176.95 173.42 2c9t s LYS 59 N -2.64 0.25 -0.10 3.25 2.20 -1.26 -0.69 119.74 120.75 2c9t s LYS 59 Ca 0.23 0.60 0.04 0.00 -0.36 0.00 0.00 55.97 56.47 2c9t s LYS 59 Cb -0.03 -0.10 -0.00 0.00 -1.51 0.00 0.00 37.83 36.19 2c9t s LYS 59 CO 0.16 -0.16 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.26 2c9t s LEU 60 N 1.31 2.20 0.28 5.43 1.43 0.38 -4.93 118.68 124.77 2c9t s LEU 60 Ca -0.09 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2c9t s LEU 60 Cb -0.10 -1.44 0.54 0.00 0.03 0.00 0.00 46.19 45.22 2c9t s LEU 60 CO -0.10 0.17 1.82 0.78 0.23 0.00 0.00 176.35 179.26 2c9t h ASN 61 N 6.63 0.86 0.44 2.29 2.35 -1.87 -1.71 115.58 124.57 2c9t h ASN 61 Ca -0.22 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2c9t h ASN 61 Cb 1.23 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2c9t h ASN 61 CO 0.49 0.45 0.00 -1.54 -1.65 0.00 0.00 177.43 175.18 2c9t n SER 62 N -4.66 0.00 -1.19 5.81 3.41 -1.26 -1.68 113.62 114.05 2c9t n SER 62 Ca 0.18 0.49 0.11 0.00 -0.26 0.00 0.00 58.87 59.40 2c9t n SER 62 Cb 0.36 -0.50 0.25 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.50 3.60 -4.78 1.04 4.77 -0.64 -4.97 117.00 114.53 2c9t n LEU 63 Ca 0.03 -1.69 -0.37 0.00 -0.03 0.00 0.00 56.01 53.94 2c9t n LEU 63 Cb 0.15 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 40.86 2c9t n LEU 63 CO 0.12 0.83 0.72 -0.04 -1.33 0.00 0.00 177.39 177.69 2c9t s MET 64 N -1.28 4.37 0.15 3.23 -1.94 -0.68 -3.92 119.30 119.24 2c9t s MET 64 Ca 0.41 1.53 -0.07 0.00 -1.71 0.00 0.00 55.69 55.85 2c9t s MET 64 Cb 0.23 -2.74 -0.01 0.00 2.01 0.00 0.00 34.83 34.31 2c9t s MET 64 CO 0.31 0.04 0.23 1.67 -0.01 0.00 0.00 175.02 177.26 2c9t s TRP 65 N -1.54 0.46 -0.42 -0.03 -2.14 -0.51 -4.94 118.94 109.81 2c9t s TRP 65 Ca 0.53 -0.83 -0.20 0.00 2.66 0.00 0.00 56.10 58.26 2c9t s TRP 65 Cb -0.23 -0.14 0.02 0.00 -3.10 0.00 0.00 33.47 30.02 2c9t s TRP 65 CO 0.29 -0.66 0.58 0.34 -2.66 0.00 0.00 176.95 174.84 2c9t s ASP 66 N -2.97 6.30 0.47 -2.66 2.15 -1.26 -4.66 116.67 114.04 2c9t s ASP 66 Ca 0.17 -0.34 0.26 0.00 0.43 0.00 0.00 52.55 53.07 2c9t s ASP 66 Cb 0.04 -2.29 1.30 0.00 -0.30 0.00 0.00 42.92 41.67 2c9t s ASP 66 CO -0.01 -0.69 1.82 -0.65 -0.17 0.00 0.00 175.17 175.48 2c9t h PRO 67 N 8.76 0.20 0.00 4.34 0.11 -1.94 -2.15 132.00 141.32 2c9t h PRO 67 Ca -0.26 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 2c9t h PRO 67 Cb 1.10 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2c9t h PRO 67 CO 0.85 0.13 -0.19 -0.91 -0.21 0.00 0.00 178.00 177.67 2c9t h ASN 68 N 0.21 0.00 0.33 -2.05 2.35 -1.93 0.54 115.58 115.02 2c9t h ASN 68 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.27 2c9t h ASN 68 Cb 1.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.05 2c9t h ASN 68 CO -0.14 0.19 -0.05 -0.62 -1.65 0.00 0.00 177.43 175.16 2c9t n GLU 69 N -3.50 0.72 -2.69 0.81 1.02 -0.81 -4.25 120.64 111.94 2c9t n GLU 69 Ca -0.01 -0.16 -0.08 0.00 -0.02 0.00 0.00 57.16 56.90 2c9t n GLU 69 Cb 0.35 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.31 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 -1.00 1.19 -2.33 -0.32 4.02 -0.39 -4.98 117.16 113.35 2c9t n TYR 70 Ca 0.16 -2.69 -0.20 0.00 -0.01 0.00 0.00 57.90 55.16 2c9t n TYR 70 Cb 0.24 -0.35 -0.02 0.00 -0.02 0.00 0.00 39.34 39.19 2c9t n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2c9t n GLY 71 N -0.15 -0.29 2.37 2.72 0.00 -1.17 -1.97 105.19 106.70 2c9t n GLY 71 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.94 -5.36 -4.69 1.61 3.02 0.17 -4.96 115.26 103.11 2c9t n ASN 72 Ca -0.24 0.02 -0.42 0.00 -0.03 0.00 0.00 54.58 53.91 2c9t n ASN 72 Cb 0.68 -4.43 -0.03 0.00 -0.61 0.00 0.00 39.78 35.40 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 -2.91 3.51 -0.06 2.41 1.01 -0.83 -4.89 121.20 119.44 2c9t s ILE 73 Ca 0.00 0.89 0.15 0.00 0.00 0.00 0.00 60.65 61.70 2c9t s ILE 73 Cb 0.00 -3.58 -0.23 0.00 0.01 0.00 0.00 42.46 38.66 2c9t s ILE 73 CO 0.00 -0.01 0.27 0.35 0.00 0.00 0.00 174.94 175.55 2c9t n THR 74 N 4.76 0.28 -3.50 2.92 -2.24 -1.26 -4.34 114.28 110.89 2c9t n THR 74 Ca 0.14 -0.44 -0.15 0.00 -2.27 0.00 0.00 64.05 61.33 2c9t n THR 74 Cb 0.43 -0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.54 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 -4.12 -0.59 0.15 3.42 -4.77 -1.26 -1.15 116.67 108.36 2c9t s ASP 75 Ca -0.06 0.48 -0.14 0.00 -3.30 0.00 0.00 52.55 49.53 2c9t s ASP 75 Cb 0.09 0.51 0.02 0.00 -1.09 0.00 0.00 42.92 42.45 2c9t s ASP 75 CO 0.65 -0.66 0.38 0.72 0.70 0.00 0.00 175.17 176.96 2c9t s PHE 76 N -1.86 0.01 -0.13 2.11 -0.12 -0.42 -4.99 117.98 112.58 2c9t s PHE 76 Ca -0.06 -0.36 -0.04 0.00 -0.05 0.00 0.00 56.93 56.41 2c9t s PHE 76 Cb -0.00 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.53 2c9t s PHE 76 CO 0.03 -0.75 0.02 1.03 -0.05 0.00 0.00 175.22 175.50 2c9t s ARG 77 N -3.87 3.44 0.06 1.99 3.00 -1.26 -0.60 118.95 121.71 2c9t s ARG 77 Ca 0.08 -0.38 -0.10 0.00 0.00 0.00 0.00 55.73 55.33 2c9t s ARG 77 Cb 0.02 -2.97 0.00 0.00 0.00 0.00 0.00 34.95 32.00 2c9t s ARG 77 CO -0.06 0.50 0.21 -0.08 0.00 0.00 0.00 175.30 175.86 2c9t s THR 78 N -0.31 0.12 0.25 0.02 -1.32 -0.39 -4.99 115.64 109.03 2c9t s THR 78 Ca 0.07 -0.97 -0.30 0.00 -1.21 0.00 0.00 61.69 59.28 2c9t s THR 78 Cb -0.12 -1.06 -0.14 0.00 -1.51 0.00 0.00 72.50 69.66 2c9t s THR 78 CO 0.02 -0.53 1.14 -0.24 -2.21 0.00 0.00 174.62 172.79 2c9t n SER 79 N 0.41 1.65 0.29 8.08 2.88 -1.26 -0.47 113.62 125.19 2c9t n SER 79 Ca -0.17 1.16 0.16 0.00 -1.33 0.00 0.00 58.87 58.69 2c9t n SER 79 Cb 0.60 -1.30 0.90 0.00 -0.75 0.00 0.00 64.21 63.65 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 2.81 1.27 0.00 -1.46 0.00 -1.40 -0.96 119.26 119.51 2c9t h ALA 80 Ca -0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2c9t h ALA 80 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2c9t h ALA 80 CO 0.66 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.97 2c9t h ALA 81 N 1.95 1.00 0.00 0.00 0.00 -1.90 -2.93 119.26 117.38 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 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2c9t h ALA 81 CO 0.01 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 2c9t n ASP 82 N -2.68 0.19 -4.20 0.00 8.00 -0.36 -4.89 116.55 112.62 2c9t n ASP 82 Ca 0.01 0.53 -0.12 0.00 0.71 0.00 0.00 54.79 55.92 2c9t n ASP 82 Cb 0.26 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 40.69 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 0.60 0.19 0.53 -4.36 -1.11 -4.99 121.20 109.03 2c9t s ILE 83 Ca 0.11 -1.95 -0.30 0.00 -0.26 0.00 0.00 60.65 58.25 2c9t s ILE 83 Cb 0.15 -1.94 -0.08 0.00 1.25 0.00 0.00 42.46 41.84 2c9t s ILE 83 CO 0.47 -0.63 1.15 0.86 0.24 0.00 0.00 174.94 177.03 2c9t s TRP 84 N -3.70 3.50 0.06 1.37 -0.00 -1.26 -4.95 118.94 113.96 2c9t s TRP 84 Ca 0.19 1.52 0.05 0.00 -0.00 0.00 0.00 56.10 57.86 2c9t s TRP 84 Cb 0.06 -3.36 -0.03 0.00 -0.00 0.00 0.00 33.47 30.15 2c9t s TRP 84 CO 0.00 -0.91 -0.14 0.95 -0.00 0.00 0.00 176.95 176.85 2c9t s THR 85 N -0.24 1.14 0.53 5.86 -4.23 -1.26 -5.12 115.64 112.32 2c9t s THR 85 Ca 0.51 -1.17 -0.19 0.00 -1.18 0.00 0.00 61.69 59.66 2c9t s THR 85 Cb -0.31 -1.07 -0.06 0.00 1.34 0.00 0.00 72.50 72.40 2c9t s THR 85 CO 0.37 -0.10 1.06 -2.16 -0.54 0.00 0.00 174.62 173.24 2c9t s PRO 86 N -1.45 3.58 -0.28 3.99 0.04 -1.26 -4.93 135.00 134.69 2c9t s PRO 86 Ca 0.00 1.34 -0.02 0.00 0.04 0.00 0.00 61.00 62.36 2c9t s PRO 86 Cb -0.09 -2.06 0.11 0.00 0.04 0.00 0.00 34.50 32.50 2c9t s PRO 86 CO 0.02 -0.62 2.31 -0.40 0.04 0.00 0.00 177.00 178.35 2c9t n ASP 87 N -1.37 6.22 -4.66 6.66 5.75 -1.26 -4.95 116.55 122.94 2c9t n ASP 87 Ca 0.09 -2.96 -0.42 0.00 -0.01 0.00 0.00 54.79 51.49 2c9t n ASP 87 Cb 0.52 -1.13 -0.03 0.00 -1.03 0.00 0.00 41.12 39.45 2c9t n ASP 87 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2c9t s ILE 88 N -1.71 3.58 -0.01 2.12 -1.09 -1.26 -3.21 121.20 119.62 2c9t s ILE 88 Ca 0.36 0.75 0.03 0.00 -2.23 0.00 0.00 60.65 59.55 2c9t s ILE 88 Cb 0.25 -3.48 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 2c9t s ILE 88 CO -0.05 -0.06 -0.10 -0.89 -1.23 0.00 0.00 174.94 172.61 2c9t s THR 89 N 3.81 0.82 -0.05 2.92 2.01 0.42 -4.89 115.64 120.68 2c9t s THR 89 Ca 0.72 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 2c9t s THR 89 Cb -0.33 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 2c9t s THR 89 CO 0.29 0.24 1.52 0.00 -0.69 0.00 0.00 174.62 175.97 2c9t s ALA 90 N -0.13 3.62 -0.84 7.40 0.00 -1.26 -1.59 121.76 128.96 2c9t s ALA 90 Ca 0.02 0.86 0.25 0.00 0.00 0.00 0.00 51.96 53.09 2c9t s ALA 90 Cb -0.05 -3.68 0.97 0.00 0.00 0.00 0.00 23.12 20.36 2c9t s ALA 90 CO -0.00 -1.21 1.79 0.66 0.00 0.00 0.00 175.76 177.00 2c9t n TYR 91 N 6.46 0.43 -2.12 0.00 4.01 0.96 -3.87 117.16 123.04 2c9t n TYR 91 Ca 0.15 0.14 0.03 0.00 -0.16 0.00 0.00 57.90 58.06 2c9t n TYR 91 Cb 0.43 -0.72 0.10 0.00 -0.31 0.00 0.00 39.34 38.84 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 -1.86 1.62 -4.78 7.72 3.41 -1.26 -5.04 113.62 113.43 2c9t n SER 92 Ca 0.05 -2.92 -0.33 0.00 -0.26 0.00 0.00 58.87 55.42 2c9t n SER 92 Cb 0.34 -0.41 0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.76 5.27 0.00 4.04 1.04 -1.25 -1.74 113.70 118.29 2c9t s SER 93 Ca 0.36 1.92 0.02 0.00 0.48 0.00 0.00 55.95 58.73 2c9t s SER 93 Cb 0.38 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.95 2c9t s SER 93 CO -0.10 -1.52 0.25 0.35 0.98 0.00 0.00 173.24 173.20 2c9t n THR 94 N -2.42 0.00 -3.87 2.02 -2.24 0.10 -4.82 114.28 103.04 2c9t n THR 94 Ca 0.10 -0.46 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 2c9t n THR 94 Cb 0.52 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.88 0.75 0.32 -0.78 0.52 -1.25 -5.04 118.95 112.59 2c9t s ARG 95 Ca 0.02 -0.83 -0.29 0.00 -0.52 0.00 0.00 55.73 54.10 2c9t s ARG 95 Cb 0.02 0.30 -0.11 0.00 0.52 0.00 0.00 34.95 35.67 2c9t s ARG 95 CO 0.07 -0.22 1.55 -2.30 0.02 0.00 0.00 175.30 174.42 2c9t n PRO 96 N 0.32 2.68 -1.70 3.54 -0.02 -1.26 -4.65 135.00 133.90 2c9t n PRO 96 Ca -0.17 0.95 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 2c9t n PRO 96 Cb 0.61 -2.71 0.01 0.00 -0.02 0.00 0.00 33.50 31.39 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 1.52 2.47 -4.24 -1.45 0.31 -1.26 -4.88 118.33 110.80 2c9t n VAL 97 Ca 0.06 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.55 2c9t n VAL 97 Cb 0.37 -1.55 -0.11 0.00 -0.91 0.00 0.00 33.84 31.65 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 -2.15 3.71 -0.15 5.55 -0.21 -0.58 -4.96 119.66 120.86 2c9t s GLN 98 Ca 0.60 -0.43 -0.18 0.00 0.02 0.00 0.00 55.36 55.37 2c9t s GLN 98 Cb -0.52 -3.02 -0.04 0.00 1.00 0.00 0.00 33.01 30.43 2c9t s GLN 98 CO 0.59 0.32 0.48 0.08 -2.12 0.00 0.00 175.29 174.63 2c9t s VAL 99 N 0.19 5.17 -0.36 1.09 1.01 -1.26 -1.07 120.40 125.18 2c9t s VAL 99 Ca 0.01 0.92 0.10 0.00 0.00 0.00 0.00 61.98 63.01 2c9t s VAL 99 Cb -0.13 -3.81 -0.12 0.00 0.00 0.00 0.00 36.38 32.32 2c9t s VAL 99 CO 0.02 0.28 0.37 0.18 0.00 0.00 0.00 175.10 175.95 2c9t n LEU 100 N 4.05 0.35 -4.56 3.92 4.77 -0.31 -4.97 117.00 120.26 2c9t n LEU 100 Ca -0.07 -0.38 -0.24 0.00 -0.03 0.00 0.00 56.01 55.30 2c9t n LEU 100 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 2c9t n LEU 100 CO 0.42 0.09 -0.40 -0.94 -1.33 0.00 0.00 177.39 175.23 2c9t s SER 101 N -2.22 4.06 0.34 -1.43 1.04 -1.24 -4.95 113.70 109.32 2c9t s SER 101 Ca 0.02 -0.83 -0.28 0.00 0.48 0.00 0.00 55.95 55.33 2c9t s SER 101 Cb 0.07 -0.57 -0.12 0.00 0.10 0.00 0.00 66.02 65.50 2c9t s SER 101 CO 0.41 0.02 1.35 -2.65 0.98 0.00 0.00 173.24 173.35 2c9t n PRO 102 N -0.74 2.27 -2.85 4.02 -0.02 -1.26 -4.88 135.00 131.54 2c9t n PRO 102 Ca -0.06 0.80 -0.44 0.00 -2.02 0.00 0.00 63.50 61.78 2c9t n PRO 102 Cb 0.59 -2.42 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 1.04 1.98 0.00 0.00 175.50 178.52 2c9t n GLN 103 N 0.70 3.47 -4.47 -0.52 1.13 -1.26 -4.91 117.38 111.53 2c9t n GLN 103 Ca 0.05 -3.85 -0.22 0.00 -1.94 0.00 0.00 57.00 51.03 2c9t n GLN 103 Cb 0.36 -2.96 -0.16 0.00 0.11 0.00 0.00 30.24 27.59 2c9t n GLN 103 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2c9t s ILE 104 N 0.93 0.93 0.34 5.09 1.01 -1.26 -1.01 121.20 127.23 2c9t s ILE 104 Ca 0.41 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.74 2c9t s ILE 104 Cb -0.00 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 2c9t s ILE 104 CO -0.00 0.30 0.19 0.00 0.00 0.00 0.00 174.94 175.42 2c9t s ALA 105 N 0.43 3.60 -0.11 9.38 0.00 0.38 -4.59 121.76 130.84 2c9t s ALA 105 Ca -0.08 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.10 2c9t s ALA 105 Cb -0.12 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 2c9t s ALA 105 CO 0.02 0.02 -0.17 0.08 0.00 0.00 0.00 175.76 175.71 2c9t s VAL 106 N -2.40 2.73 -0.05 0.00 1.01 -0.75 -1.26 120.40 119.68 2c9t s VAL 106 Ca 0.39 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2c9t s VAL 106 Cb -0.03 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 2c9t s VAL 106 CO 0.24 0.54 -0.21 -0.69 0.00 0.00 0.00 175.10 174.98 2c9t s VAL 107 N 0.27 1.74 0.24 2.92 1.01 0.23 -1.23 120.40 125.57 2c9t s VAL 107 Ca -0.12 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.06 2c9t s VAL 107 Cb -0.16 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2c9t s VAL 107 CO 0.06 0.49 0.03 -0.89 0.00 0.00 0.00 175.10 174.80 2c9t s THR 108 N -0.05 3.72 0.31 3.92 2.01 0.09 -1.30 115.64 124.33 2c9t s THR 108 Ca -0.04 -1.67 0.37 0.00 0.31 0.00 0.00 61.69 60.66 2c9t s THR 108 Cb -0.13 -2.96 0.39 0.00 0.01 0.00 0.00 72.50 69.81 2c9t s THR 108 CO 0.03 -0.29 2.12 1.12 -0.69 0.00 0.00 174.62 176.91 2c9t h HIS 109 N 2.05 0.00 -0.05 4.92 2.07 -1.43 0.36 115.15 123.07 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 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.10 2c9t n ASP 110 N -2.91 0.55 0.00 3.10 5.75 -1.26 -1.42 116.55 120.35 2c9t n ASP 110 Ca -0.01 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 2c9t n ASP 110 Cb 0.14 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 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 0.92 0.77 3.76 6.12 0.00 0.11 -4.65 105.19 112.23 2c9t n GLY 111 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.28 7.38 -0.02 1.61 0.01 -1.21 -0.47 113.70 118.73 2c9t s SER 112 Ca 0.00 2.02 0.05 0.00 1.31 0.00 0.00 55.95 59.32 2c9t s SER 112 Cb 0.00 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 2c9t s SER 112 CO 0.00 -0.04 -0.16 -0.69 0.41 0.00 0.00 173.24 172.76 2c9t s VAL 113 N -1.32 1.28 -0.13 3.43 1.01 0.13 -0.74 120.40 124.07 2c9t s VAL 113 Ca 0.46 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 2c9t s VAL 113 Cb -0.25 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.07 2c9t s VAL 113 CO 0.32 0.37 -0.10 -0.32 0.00 0.00 0.00 175.10 175.37 2c9t s MET 114 N -0.22 1.76 -0.09 2.72 0.00 -0.37 -2.39 119.30 120.72 2c9t s MET 114 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 55.69 55.36 2c9t s MET 114 Cb -0.08 -1.76 0.02 0.00 0.00 0.00 0.00 34.83 33.01 2c9t s MET 114 CO 0.00 -0.26 -0.08 0.12 0.00 0.00 0.00 175.02 174.80 2c9t s PHE 115 N 1.64 1.34 -0.63 4.11 5.36 -0.10 -1.81 117.98 127.89 2c9t s PHE 115 Ca 0.05 -0.59 0.05 0.00 -0.96 0.00 0.00 56.93 55.48 2c9t s PHE 115 Cb -0.13 -1.10 0.19 0.00 -0.34 0.00 0.00 43.02 41.64 2c9t s PHE 115 CO -0.09 -0.41 0.54 -0.89 -1.46 0.00 0.00 175.22 172.91 2c9t n ILE 116 N 4.59 1.25 -2.21 3.12 5.41 -1.26 -1.05 119.36 129.21 2c9t n ILE 116 Ca -0.16 -4.69 -0.42 0.00 1.00 0.00 0.00 62.75 58.48 2c9t n ILE 116 Cb 0.51 -2.07 -0.03 0.00 -0.71 0.00 0.00 39.64 37.33 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 -1.48 4.32 0.12 0.38 0.04 -1.18 -4.75 135.00 132.46 2c9t s PRO 117 Ca 0.30 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 2c9t s PRO 117 Cb 0.03 -3.33 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 2c9t s PRO 117 CO -0.13 -0.45 1.13 0.00 0.04 0.00 0.00 177.00 177.58 2c9t s ALA 118 N 1.38 3.36 0.01 8.56 0.00 -1.26 -1.08 121.76 132.73 2c9t s ALA 118 Ca 0.64 0.81 -0.04 0.00 0.00 0.00 0.00 51.96 53.36 2c9t s ALA 118 Cb -0.35 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 2c9t s ALA 118 CO 0.29 -0.29 0.07 -0.65 0.00 0.00 0.00 175.76 175.18 2c9t s GLN 119 N 0.24 0.41 -0.13 0.00 -0.21 -0.46 -1.16 119.66 118.33 2c9t s GLN 119 Ca 0.53 -0.47 -0.00 0.00 0.02 0.00 0.00 55.36 55.44 2c9t s GLN 119 Cb -0.29 0.16 -0.02 0.00 1.00 0.00 0.00 33.01 33.87 2c9t s GLN 119 CO 0.32 -0.09 -0.12 0.50 -2.12 0.00 0.00 175.29 173.78 2c9t s ARG 120 N -1.37 3.40 -0.06 2.91 3.52 -0.23 -2.38 118.95 124.74 2c9t s ARG 120 Ca -0.15 -0.67 0.04 0.00 -0.13 0.00 0.00 55.73 54.81 2c9t s ARG 120 Cb -0.08 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.66 2c9t s ARG 120 CO 0.01 0.21 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.37 2c9t s LEU 121 N 0.37 1.85 -0.23 -0.88 2.96 -0.52 -1.53 118.68 120.70 2c9t s LEU 121 Ca -0.10 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 2c9t s LEU 121 Cb -0.16 -0.99 -0.05 0.00 0.50 0.00 0.00 46.19 45.49 2c9t s LEU 121 CO 0.05 0.11 0.14 -0.44 -1.32 0.00 0.00 176.35 174.89 2c9t s SER 122 N 0.29 5.98 0.10 3.68 0.01 -1.26 -1.36 113.70 121.15 2c9t s SER 122 Ca -0.10 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2c9t s SER 122 Cb -0.14 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 2c9t s SER 122 CO 0.04 0.08 -0.02 0.72 0.41 0.00 0.00 173.24 174.47 2c9t s PHE 123 N 0.95 0.83 -0.29 2.43 -0.12 -0.63 0.02 117.98 121.16 2c9t s PHE 123 Ca 0.07 -1.04 -0.28 0.00 -0.05 0.00 0.00 56.93 55.62 2c9t s PHE 123 Cb -0.13 -0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 41.73 2c9t s PHE 123 CO 0.03 -0.30 1.86 -1.64 -0.05 0.00 0.00 175.22 175.13 2c9t s MET 124 N -3.91 3.36 -0.24 1.99 -1.94 -0.71 -1.23 119.30 116.61 2c9t s MET 124 Ca 0.15 1.59 -0.06 0.00 -1.71 0.00 0.00 55.69 55.65 2c9t s MET 124 Cb 0.07 -4.21 0.12 0.00 2.01 0.00 0.00 34.83 32.81 2c9t s MET 124 CO -0.04 -1.83 0.49 0.00 -0.01 0.00 0.00 175.02 173.63 2c9t s ASP 126 N 2.70 6.57 -0.16 0.00 -1.08 -1.26 -3.28 116.67 120.16 2c9t s ASP 126 Ca 0.03 0.48 0.05 0.00 -0.52 0.00 0.00 52.55 52.59 2c9t s ASP 126 Cb -0.13 -2.55 0.38 0.00 -1.46 0.00 0.00 42.92 39.16 2c9t s ASP 126 CO -0.16 -1.31 1.27 -0.81 0.52 0.00 0.00 175.17 174.68 2c9t n PRO 127 N 7.94 2.41 -2.06 4.34 -0.04 -1.26 -4.84 135.00 141.50 2c9t n PRO 127 Ca 0.12 -1.56 -0.42 0.00 -0.04 0.00 0.00 63.50 61.60 2c9t n PRO 127 Cb 0.49 -1.77 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 2c9t n PRO 127 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2c9t s THR 128 N -1.79 3.54 0.00 0.52 2.01 -1.26 -2.39 115.64 116.27 2c9t s THR 128 Ca 0.28 0.79 0.00 0.00 0.31 0.00 0.00 61.69 63.07 2c9t s THR 128 Cb 0.22 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 69.23 2c9t s THR 128 CO 0.07 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 2c9t n GLY 129 N 3.98 1.07 0.14 4.40 0.00 -1.26 -4.83 105.19 108.69 2c9t n GLY 129 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 1.46 -0.03 1.61 3.04 -1.72 -3.15 116.25 117.45 2c9t h VAL 130 Ca 0.00 -2.61 -0.13 0.00 -1.01 0.00 0.00 66.70 62.96 2c9t h VAL 130 Cb 0.00 2.51 -0.02 0.00 -2.01 0.00 0.00 31.29 31.77 2c9t h VAL 130 CO 0.00 0.77 -0.57 -2.24 -1.01 0.00 0.00 177.57 174.52 2c9t h ASP 131 N 0.16 0.11 -4.25 3.17 3.04 -1.93 -0.19 116.42 116.53 2c9t h ASP 131 Ca -0.07 -0.06 -0.53 0.00 -3.24 0.00 0.00 57.03 53.14 2c9t h ASP 131 Cb 1.60 -0.03 0.19 0.00 -1.04 0.00 0.00 39.33 40.05 2c9t h ASP 131 CO 0.16 0.65 0.27 -0.94 -2.04 0.00 0.00 179.24 177.33 2c9t s SER 132 N -6.88 3.14 0.32 4.15 1.04 -1.19 -4.72 113.70 109.55 2c9t s SER 132 Ca -0.03 2.27 0.03 0.00 0.48 0.00 0.00 55.95 58.71 2c9t s SER 132 Cb 0.13 -2.58 0.54 0.00 0.10 0.00 0.00 66.02 64.21 2c9t s SER 132 CO 0.77 -2.96 1.83 -0.08 0.98 0.00 0.00 173.24 173.78 2c9t h GLU 133 N -1.51 0.54 0.00 4.02 4.57 -1.88 -2.18 114.58 118.13 2c9t h GLU 133 Ca -0.44 -0.13 -0.05 0.00 -1.18 0.00 0.00 59.36 57.56 2c9t h GLU 133 Cb 1.28 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 2c9t h GLU 133 CO 0.43 0.60 -0.22 1.05 -1.18 0.00 0.00 179.01 179.69 2c9t h GLU 134 N 0.51 0.00 0.00 1.92 9.09 -1.92 -3.49 114.58 120.69 2c9t h GLU 134 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.51 2c9t h GLU 134 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 2c9t h GLU 134 CO 0.02 0.22 0.00 0.41 0.05 0.00 0.00 179.01 179.71 2c9t n GLY 135 N 0.16 0.26 3.13 1.06 0.00 -0.82 -4.84 105.19 104.14 2c9t n GLY 135 Ca 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 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 0.10 -0.20 1.61 0.11 0.15 -4.59 120.40 117.58 2c9t s VAL 136 Ca 0.00 -0.80 -0.06 0.00 -2.93 0.00 0.00 61.98 58.19 2c9t s VAL 136 Cb 0.00 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.19 2c9t s VAL 136 CO 0.00 -0.44 0.04 -0.89 -3.33 0.00 0.00 175.10 170.48 2c9t s THR 137 N -1.86 4.40 0.13 5.04 2.01 -1.26 -0.23 115.64 123.87 2c9t s THR 137 Ca -0.11 -0.16 0.09 0.00 0.31 0.00 0.00 61.69 61.82 2c9t s THR 137 Cb -0.05 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 2c9t s THR 137 CO -0.01 0.43 -0.21 0.00 -0.69 0.00 0.00 174.62 174.14 2c9t s ALA 139 N -1.41 0.12 -0.03 0.00 0.00 -1.26 -0.72 121.76 118.46 2c9t s ALA 139 Ca 0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 51.96 51.76 2c9t s ALA 139 Cb -0.09 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.12 2c9t s ALA 139 CO 0.05 -0.06 0.03 0.54 0.00 0.00 0.00 175.76 176.33 2c9t s VAL 140 N -0.69 -0.04 0.27 0.00 0.11 -0.15 -4.91 120.40 114.99 2c9t s VAL 140 Ca -0.07 0.25 -0.26 0.00 -2.93 0.00 0.00 61.98 58.97 2c9t s VAL 140 Cb -0.05 -0.12 -0.09 0.00 -1.53 0.00 0.00 36.38 34.59 2c9t s VAL 140 CO -0.00 0.12 0.90 -0.54 -3.33 0.00 0.00 175.10 172.24 2c9t s LYS 141 N 1.31 4.62 0.01 1.54 1.02 -1.26 -0.66 119.74 126.31 2c9t s LYS 141 Ca -0.06 1.29 0.08 0.00 0.02 0.00 0.00 55.97 57.31 2c9t s LYS 141 Cb -0.13 -3.00 -0.02 0.00 -0.52 0.00 0.00 37.83 34.16 2c9t s LYS 141 CO -0.03 0.40 -0.25 -0.06 -0.92 0.00 0.00 175.35 174.49 2c9t s PHE 142 N -1.43 2.20 -0.22 3.18 0.08 -0.32 -0.03 117.98 121.45 2c9t s PHE 142 Ca 0.45 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 57.09 2c9t s PHE 142 Cb -0.21 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 40.87 2c9t s PHE 142 CO 0.26 0.03 0.00 0.41 -0.10 0.00 0.00 175.22 175.82 2c9t n GLY 143 N 2.19 -1.18 3.75 4.36 0.00 -0.62 -1.07 105.19 112.61 2c9t n GLY 143 Ca -0.16 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.79 5.00 0.26 1.61 0.15 -1.26 -0.44 113.70 118.23 2c9t s SER 144 Ca 0.00 2.47 0.15 0.00 0.70 0.00 0.00 55.95 59.27 2c9t s SER 144 Cb 0.00 -2.61 0.04 0.00 -1.71 0.00 0.00 66.02 61.74 2c9t s SER 144 CO 0.00 -1.73 1.39 -0.25 1.20 0.00 0.00 173.24 173.85 2c9t h TRP 145 N 0.78 0.00 0.00 3.44 2.91 -1.91 -3.43 115.95 117.75 2c9t h TRP 145 Ca -0.51 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.51 2c9t h TRP 145 Cb 1.31 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.96 2c9t h TRP 145 CO 0.45 0.53 -0.43 1.33 -1.03 0.00 0.00 178.44 179.28 2c9t n VAL 146 N -3.21 0.00 -3.66 2.65 0.24 -1.26 -5.04 118.33 108.05 2c9t n VAL 146 Ca 0.01 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.95 2c9t n VAL 146 Cb 0.75 0.01 -0.08 0.00 -1.47 0.00 0.00 33.84 33.05 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 -1.04 3.41 1.16 6.34 2.02 -1.26 -5.09 117.35 122.88 2c9t s TYR 147 Ca 0.00 0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.93 2c9t s TYR 147 Cb 0.00 -2.23 0.26 0.00 -0.40 0.00 0.00 41.96 39.59 2c9t s TYR 147 CO 0.00 0.24 1.07 -1.54 -1.57 0.00 0.00 175.55 173.75 2c9t s SER 148 N 0.50 1.24 0.61 2.29 1.04 -1.26 -4.66 113.70 113.45 2c9t s SER 148 Ca 0.10 0.97 0.38 0.00 0.48 0.00 0.00 55.95 57.89 2c9t s SER 148 Cb -0.12 -1.46 1.98 0.00 0.10 0.00 0.00 66.02 66.52 2c9t s SER 148 CO 0.01 -3.97 2.23 1.23 0.98 0.00 0.00 173.24 173.71 2c9t h GLY 149 N -2.47 0.00 2.00 7.32 0.00 -0.15 0.22 103.07 109.99 2c9t h GLY 149 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2c9t h GLY 149 CO 0.45 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.68 2c9t n PHE 150 N -3.24 0.28 -0.04 5.60 3.72 -1.26 -3.78 117.46 118.75 2c9t n PHE 150 Ca -0.02 0.09 -0.07 0.00 -0.05 0.00 0.00 57.45 57.40 2c9t n PHE 150 Cb 0.15 -0.65 -0.03 0.00 -0.94 0.00 0.00 39.48 38.02 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 -1.74 0.15 -4.06 -1.08 1.02 -0.92 -4.09 120.64 109.92 2c9t n GLU 151 Ca 0.05 0.06 -0.32 0.00 -0.02 0.00 0.00 57.16 56.94 2c9t n GLU 151 Cb 0.31 -0.83 -0.15 0.00 -0.02 0.00 0.00 31.44 30.75 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 -2.13 2.02 -0.37 -3.67 1.01 0.02 -1.15 121.20 116.93 2c9t s ILE 152 Ca -0.10 -1.32 -0.24 0.00 0.00 0.00 0.00 60.65 58.99 2c9t s ILE 152 Cb 0.04 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.47 2c9t s ILE 152 CO 0.13 0.15 0.82 -0.62 0.00 0.00 0.00 174.94 175.42 2c9t s ASP 153 N 1.22 6.57 0.12 3.58 2.15 0.46 -3.86 116.67 126.92 2c9t s ASP 153 Ca -0.04 0.38 -0.23 0.00 0.43 0.00 0.00 52.55 53.09 2c9t s ASP 153 Cb -0.17 -2.41 -0.07 0.00 -0.30 0.00 0.00 42.92 39.96 2c9t s ASP 153 CO -0.08 -0.78 0.71 -0.76 -0.17 0.00 0.00 175.17 174.09 2c9t s LEU 154 N 3.21 4.56 0.05 -1.34 1.43 -1.26 -1.27 118.68 124.06 2c9t s LEU 154 Ca 0.33 1.50 -0.03 0.00 -1.03 0.00 0.00 54.13 54.90 2c9t s LEU 154 Cb -0.13 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 42.91 2c9t s LEU 154 CO 0.18 0.21 0.02 -0.54 0.23 0.00 0.00 176.35 176.45 2c9t s LYS 155 N -1.01 0.57 0.24 1.70 1.02 -0.52 -4.95 119.74 116.78 2c9t s LYS 155 Ca 0.34 -0.98 0.10 0.00 0.02 0.00 0.00 55.97 55.45 2c9t s LYS 155 Cb -0.22 0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 37.26 2c9t s LYS 155 CO 0.24 -0.12 -0.12 0.95 -0.92 0.00 0.00 175.35 175.37 2c9t s THR 156 N -3.18 2.93 -0.25 2.17 -4.23 -1.26 -0.24 115.64 111.57 2c9t s THR 156 Ca 0.00 -2.02 0.23 0.00 -1.18 0.00 0.00 61.69 58.71 2c9t s THR 156 Cb 0.02 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 2c9t s THR 156 CO -0.07 -0.28 1.00 0.47 -0.54 0.00 0.00 174.62 175.20 2c9t n ASP 157 N -0.41 0.75 -3.62 3.99 8.00 -1.26 -4.96 116.55 119.03 2c9t n ASP 157 Ca -0.08 0.26 -0.15 0.00 0.71 0.00 0.00 54.79 55.53 2c9t n ASP 157 Cb 0.58 0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 42.22 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 -3.36 0.03 -1.85 -3.53 -1.32 -1.26 -5.04 115.64 99.32 2c9t s THR 158 Ca -0.01 -0.26 0.28 0.00 -1.21 0.00 0.00 61.69 60.50 2c9t s THR 158 Cb 0.10 -0.88 0.44 0.00 -1.51 0.00 0.00 72.50 70.65 2c9t s THR 158 CO 0.80 -0.14 1.77 0.47 -2.21 0.00 0.00 174.62 175.31 2c9t n ASP 159 N 0.82 0.79 -4.55 8.08 9.92 -1.26 -4.75 116.55 125.59 2c9t n ASP 159 Ca -0.19 -0.85 -0.41 0.00 -0.53 0.00 0.00 54.79 52.80 2c9t n ASP 159 Cb 0.58 0.01 -0.09 0.00 -0.64 0.00 0.00 41.12 40.98 2c9t n ASP 159 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2c9t s GLN 160 N -2.37 3.60 0.31 -1.24 -1.52 -1.26 0.10 119.66 117.27 2c9t s GLN 160 Ca 0.30 -0.29 -0.29 0.00 -1.95 0.00 0.00 55.36 53.13 2c9t s GLN 160 Cb 0.20 -3.80 -0.13 0.00 -0.22 0.00 0.00 33.01 29.06 2c9t s GLN 160 CO 0.46 -0.57 1.36 0.28 -0.25 0.00 0.00 175.29 176.57 2c9t n VAL 161 N 5.31 1.61 -2.54 1.09 0.31 -0.89 -4.84 118.33 118.38 2c9t n VAL 161 Ca -0.07 -0.40 -0.43 0.00 -0.01 0.00 0.00 64.34 63.43 2c9t n VAL 161 Cb 0.49 -1.59 -0.02 0.00 -0.91 0.00 0.00 33.84 31.81 2c9t n VAL 161 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2c9t s ASP 162 N -0.06 6.99 0.00 4.52 2.15 0.04 -4.88 116.67 125.43 2c9t s ASP 162 Ca 0.60 1.48 0.04 0.00 0.43 0.00 0.00 52.55 55.10 2c9t s ASP 162 Cb -0.58 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 39.60 2c9t s ASP 162 CO 0.57 -0.75 1.02 0.18 -0.17 0.00 0.00 175.17 176.02 2c9t n LEU 163 N 6.57 2.18 0.28 -1.34 4.77 -1.26 -1.54 117.00 126.67 2c9t n LEU 163 Ca 0.13 -1.83 0.16 0.00 -0.03 0.00 0.00 56.01 54.43 2c9t n LEU 163 Cb 0.46 -0.07 0.83 0.00 -2.33 0.00 0.00 43.42 42.30 2c9t n LEU 163 CO 0.55 0.54 1.03 0.77 -1.33 0.00 0.00 177.39 178.95 2c9t h SER 164 N 0.78 0.00 -0.48 -1.43 4.64 -1.90 -2.26 113.55 112.91 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 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2c9t h SER 164 CO 0.00 0.07 0.00 -1.20 -0.87 0.00 0.00 176.83 174.83 2c9t n SER 165 N -3.45 3.54 -4.72 4.97 7.64 -1.26 -5.02 113.62 115.31 2c9t n SER 165 Ca -0.02 -2.17 -0.42 0.00 1.01 0.00 0.00 58.87 57.28 2c9t n SER 165 Cb 0.21 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 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 -1.30 3.10 -0.11 1.43 5.04 -0.85 -4.67 117.35 119.97 2c9t s TYR 166 Ca 0.35 0.73 -0.35 0.00 -2.44 0.00 0.00 57.07 55.37 2c9t s TYR 166 Cb 0.21 -3.87 -0.12 0.00 0.35 0.00 0.00 41.96 38.53 2c9t s TYR 166 CO 0.21 -3.15 1.89 0.98 -1.34 0.00 0.00 175.55 174.14 2c9t n TYR 167 N 3.81 2.30 0.20 4.97 9.36 0.15 -4.88 117.16 133.08 2c9t n TYR 167 Ca 0.13 0.03 0.08 0.00 3.32 0.00 0.00 57.90 61.46 2c9t n TYR 167 Cb 0.39 -2.65 0.36 0.00 -0.63 0.00 0.00 39.34 36.81 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 9.26 0.96 -0.41 2.98 0.00 -1.90 -2.99 119.26 127.16 2c9t h ALA 168 Ca -0.48 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2c9t h ALA 168 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2c9t h ALA 168 CO 0.95 0.35 0.00 0.43 0.00 0.00 0.00 179.25 180.98 2c9t n SER 169 N -3.37 4.57 -4.62 0.00 7.64 -1.26 -4.98 113.62 111.61 2c9t n SER 169 Ca 0.01 -2.88 -0.38 0.00 1.01 0.00 0.00 58.87 56.63 2c9t n SER 169 Cb 0.49 -0.58 0.05 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.10 0.83 0.12 6.43 2.88 -1.13 -4.89 113.62 117.97 2c9t n SER 170 Ca 0.23 0.82 0.12 0.00 -1.33 0.00 0.00 58.87 58.71 2c9t n SER 170 Cb 0.98 -1.39 0.48 0.00 -0.75 0.00 0.00 64.21 63.53 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 -0.95 0.19 -5.08 -1.46 4.76 -1.26 -4.63 118.16 109.72 2c9t n LYS 171 Ca 0.13 0.41 -0.32 0.00 -2.87 0.00 0.00 58.31 55.66 2c9t n LYS 171 Cb 0.47 -1.86 -0.17 0.00 -1.84 0.00 0.00 35.03 31.63 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 -3.30 2.59 0.03 2.13 2.02 -1.26 -1.00 117.35 118.56 2c9t s TYR 172 Ca 0.05 -1.10 -0.08 0.00 -0.37 0.00 0.00 57.07 55.57 2c9t s TYR 172 Cb 0.09 -1.74 -0.05 0.00 -0.40 0.00 0.00 41.96 39.86 2c9t s TYR 172 CO 0.40 -0.45 0.32 -1.83 -1.57 0.00 0.00 175.55 172.41 2c9t s GLU 173 N 0.44 3.66 -0.16 -0.62 -1.05 0.84 -4.81 118.70 117.01 2c9t s GLU 173 Ca -0.16 0.04 -0.22 0.00 -0.15 0.00 0.00 54.97 54.49 2c9t s GLU 173 Cb -0.17 -3.07 -0.03 0.00 -0.44 0.00 0.00 34.13 30.42 2c9t s GLU 173 CO 0.07 0.63 0.65 0.42 0.95 0.00 0.00 175.26 177.98 2c9t s ILE 174 N -1.30 5.03 -0.14 1.83 -1.09 -1.26 -1.91 121.20 122.35 2c9t s ILE 174 Ca 0.29 1.27 -0.08 0.00 -2.23 0.00 0.00 60.65 59.89 2c9t s ILE 174 Cb -0.14 -3.97 -0.24 0.00 -1.58 0.00 0.00 42.46 36.52 2c9t s ILE 174 CO 0.16 0.15 0.30 0.18 -1.23 0.00 0.00 174.94 174.50 2c9t n LEU 175 N 4.65 2.56 -3.62 2.97 4.77 0.16 -4.98 117.00 123.50 2c9t n LEU 175 Ca -0.01 0.21 -0.16 0.00 -0.03 0.00 0.00 56.01 56.03 2c9t n LEU 175 Cb 0.50 -1.09 -0.07 0.00 -2.33 0.00 0.00 43.42 40.43 2c9t n LEU 175 CO 0.45 0.79 0.31 -0.94 -1.33 0.00 0.00 177.39 176.67 2c9t s SER 176 N -6.99 -0.56 -0.19 -1.43 1.04 -0.98 -4.96 113.70 99.62 2c9t s SER 176 Ca -0.24 0.79 -0.04 0.00 0.48 0.00 0.00 55.95 56.94 2c9t s SER 176 Cb 0.07 0.76 0.09 0.00 0.10 0.00 0.00 66.02 67.03 2c9t s SER 176 CO 0.73 -0.43 0.20 0.00 0.98 0.00 0.00 173.24 174.72 2c9t s ALA 177 N -0.65 -0.19 0.22 5.32 0.00 -1.25 0.22 121.76 125.42 2c9t s ALA 177 Ca -0.07 0.22 0.10 0.00 0.00 0.00 0.00 51.96 52.21 2c9t s ALA 177 Cb -0.03 -1.25 -0.05 0.00 0.00 0.00 0.00 23.12 21.80 2c9t s ALA 177 CO 0.06 -1.16 -0.19 0.95 0.00 0.00 0.00 175.76 175.42 2c9t s THR 178 N 2.30 2.13 -0.33 0.00 -4.23 0.32 -2.09 115.64 113.75 2c9t s THR 178 Ca 0.06 -2.19 -0.01 0.00 -1.18 0.00 0.00 61.69 58.37 2c9t s THR 178 Cb -0.15 -2.11 0.11 0.00 1.34 0.00 0.00 72.50 71.69 2c9t s THR 178 CO -0.11 -0.38 0.13 0.00 -0.54 0.00 0.00 174.62 173.72 2c9t s GLN 179 N -3.24 0.74 -0.23 3.99 -2.07 0.11 -1.50 119.66 117.46 2c9t s GLN 179 Ca 0.23 -1.19 -0.03 0.00 -1.82 0.00 0.00 55.36 52.55 2c9t s GLN 179 Cb -0.05 -1.91 0.00 0.00 -1.09 0.00 0.00 33.01 29.97 2c9t s GLN 179 CO 0.10 -1.04 -0.04 0.99 -1.32 0.00 0.00 175.29 173.98 2c9t s THR 180 N 1.41 3.26 0.16 3.63 2.01 -0.88 -4.27 115.64 120.97 2c9t s THR 180 Ca 0.12 -0.62 -0.32 0.00 0.31 0.00 0.00 61.69 61.17 2c9t s THR 180 Cb -0.19 -2.53 -0.12 0.00 0.01 0.00 0.00 72.50 69.68 2c9t s THR 180 CO -0.20 0.36 1.76 -1.14 -0.69 0.00 0.00 174.62 174.71 2c9t n ARG 181 N 4.77 2.71 -5.04 4.92 0.63 -1.26 -1.03 116.66 122.37 2c9t n ARG 181 Ca -0.18 0.98 -0.29 0.00 -0.92 0.00 0.00 57.85 57.45 2c9t n ARG 181 Cb 0.50 -2.84 -0.16 0.00 0.45 0.00 0.00 32.46 30.41 2c9t n ARG 181 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2c9t s GLN 182 N 1.82 2.11 -0.12 -0.14 -0.21 -0.13 -4.96 119.66 118.03 2c9t s GLN 182 Ca 0.78 -0.75 -0.04 0.00 0.02 0.00 0.00 55.36 55.38 2c9t s GLN 182 Cb -0.52 -1.82 -0.03 0.00 1.00 0.00 0.00 33.01 31.64 2c9t s GLN 182 CO 0.35 0.32 0.01 0.08 -2.12 0.00 0.00 175.29 173.92 2c9t s VAL 183 N -0.08 4.33 0.00 1.09 1.01 -1.26 -1.61 120.40 123.88 2c9t s VAL 183 Ca -0.03 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.81 2c9t s VAL 183 Cb -0.12 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 2c9t s VAL 183 CO 0.03 0.55 -0.23 -1.58 0.00 0.00 0.00 175.10 173.86 2c9t s GLN 184 N -0.31 1.80 0.07 2.72 0.74 0.14 -4.97 119.66 119.86 2c9t s GLN 184 Ca 0.07 -0.89 0.09 0.00 0.05 0.00 0.00 55.36 54.68 2c9t s GLN 184 Cb -0.12 -1.80 -0.03 0.00 1.10 0.00 0.00 33.01 32.15 2c9t s GLN 184 CO 0.02 0.49 -0.25 -1.01 -0.55 0.00 0.00 175.29 173.98 2c9t s HIS 185 N -0.62 2.19 0.02 1.67 3.76 -1.26 -0.61 115.29 120.44 2c9t s HIS 185 Ca 0.09 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 54.65 2c9t s HIS 185 Cb -0.09 -1.27 -0.03 0.00 1.11 0.00 0.00 32.58 32.30 2c9t s HIS 185 CO -0.00 0.19 -0.11 0.71 -0.85 0.00 0.00 174.74 174.68 2c9t s TYR 186 N -0.90 2.77 0.08 1.40 2.02 -1.25 -5.04 117.35 116.43 2c9t s TYR 186 Ca 0.11 -0.12 -0.15 0.00 -0.37 0.00 0.00 57.07 56.55 2c9t s TYR 186 Cb -0.10 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 39.88 2c9t s TYR 186 CO 0.03 0.33 0.98 -1.13 -1.57 0.00 0.00 175.55 174.20 2c9t n SER 187 N 1.51 -0.50 0.27 2.29 3.41 -1.26 -2.12 113.62 117.22 2c9t n SER 187 Ca -0.15 1.10 0.16 0.00 -0.26 0.00 0.00 58.87 59.71 2c9t n SER 187 Cb 0.52 -0.24 0.89 0.00 -0.26 0.00 0.00 64.21 65.13 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 5.49 0.00 -6.77 0.00 0.13 -1.89 -3.31 132.00 125.65 2c9t h PRO 190 Ca -0.27 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.34 2c9t h PRO 190 Cb 1.20 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.39 2c9t h PRO 190 CO 0.40 0.16 0.78 -1.21 -0.23 0.00 0.00 178.00 177.90 2c9t s GLU 191 N -3.15 4.24 0.42 0.86 8.01 -1.26 -4.97 118.70 122.85 2c9t s GLU 191 Ca 0.02 2.36 -0.22 0.00 0.01 0.00 0.00 54.97 57.14 2c9t s GLU 191 Cb 0.08 -3.09 -0.10 0.00 -4.31 0.00 0.00 34.13 26.71 2c9t s GLU 191 CO 0.75 -0.45 0.99 -1.25 0.01 0.00 0.00 175.26 175.31 2c9t s PRO 192 N -0.51 4.16 -0.18 0.39 0.04 -1.26 -4.57 135.00 133.08 2c9t s PRO 192 Ca 0.59 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2c9t s PRO 192 Cb -0.43 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 31.79 2c9t s PRO 192 CO 0.45 -0.11 -0.17 0.71 0.04 0.00 0.00 177.00 177.93 2c9t s TYR 193 N -1.93 2.79 -0.08 0.56 2.02 0.22 0.41 117.35 121.34 2c9t s TYR 193 Ca 0.61 -1.38 0.03 0.00 -0.37 0.00 0.00 57.07 55.96 2c9t s TYR 193 Cb -0.15 -1.93 -0.02 0.00 -0.40 0.00 0.00 41.96 39.46 2c9t s TYR 193 CO 0.19 -0.68 -0.18 0.42 -1.57 0.00 0.00 175.55 173.74 2c9t s ILE 194 N 1.17 2.67 0.27 2.71 1.01 -1.26 -0.68 121.20 127.09 2c9t s ILE 194 Ca 0.02 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.85 2c9t s ILE 194 Cb -0.14 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 2c9t s ILE 194 CO -0.07 0.56 0.14 1.51 0.00 0.00 0.00 174.94 177.08 2c9t s ASP 195 N -0.13 1.19 -0.17 3.58 1.47 -0.64 -4.61 116.67 117.35 2c9t s ASP 195 Ca -0.03 -1.48 0.01 0.00 1.18 0.00 0.00 52.55 52.23 2c9t s ASP 195 Cb -0.14 0.32 0.02 0.00 -0.34 0.00 0.00 42.92 42.79 2c9t s ASP 195 CO 0.04 -0.84 -0.18 -0.69 0.68 0.00 0.00 175.17 174.18 2c9t s VAL 196 N -3.75 1.90 -0.45 2.11 1.01 -0.23 -0.95 120.40 120.04 2c9t s VAL 196 Ca 0.37 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 61.29 2c9t s VAL 196 Cb 0.06 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.72 2c9t s VAL 196 CO 0.16 0.49 0.64 0.21 0.00 0.00 0.00 175.10 176.60 2c9t s ASN 197 N 1.35 6.30 -0.36 3.32 2.47 -0.19 -1.17 114.94 126.65 2c9t s ASN 197 Ca 0.05 -0.44 -0.23 0.00 0.42 0.00 0.00 52.86 52.65 2c9t s ASN 197 Cb -0.13 -2.31 0.01 0.00 -1.45 0.00 0.00 41.25 37.37 2c9t s ASN 197 CO -0.12 -0.80 0.79 -0.22 -3.72 0.00 0.00 177.10 173.04 2c9t s LEU 198 N 2.78 4.12 -0.18 3.21 2.96 0.17 -2.07 118.68 129.68 2c9t s LEU 198 Ca 0.21 0.39 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 2c9t s LEU 198 Cb -0.15 -3.04 0.03 0.00 0.50 0.00 0.00 46.19 43.53 2c9t s LEU 198 CO 0.18 -0.73 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.65 2c9t s VAL 199 N 3.11 1.72 -0.22 1.68 1.01 -0.56 -0.98 120.40 126.16 2c9t s VAL 199 Ca 0.32 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2c9t s VAL 199 Cb -0.13 -1.68 0.05 0.00 0.00 0.00 0.00 36.38 34.62 2c9t s VAL 199 CO 0.17 0.34 -0.09 -0.69 0.00 0.00 0.00 175.10 174.83 2c9t s VAL 200 N 1.39 1.67 -0.06 2.92 1.01 0.10 -0.52 120.40 126.91 2c9t s VAL 200 Ca 0.02 -1.16 -0.25 0.00 0.00 0.00 0.00 61.98 60.59 2c9t s VAL 200 Cb -0.15 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2c9t s VAL 200 CO -0.10 0.05 0.76 -0.75 0.00 0.00 0.00 175.10 175.07 2c9t s LYS 201 N 1.36 4.44 0.17 2.72 2.20 0.13 -1.29 119.74 129.47 2c9t s LYS 201 Ca -0.04 0.99 -0.16 0.00 -0.36 0.00 0.00 55.97 56.40 2c9t s LYS 201 Cb -0.18 -3.46 0.02 0.00 -1.51 0.00 0.00 37.83 32.71 2c9t s LYS 201 CO -0.07 0.00 0.44 -0.59 -0.36 0.00 0.00 175.35 174.78 2c9t s PHE 202 N 0.98 -0.06 0.19 4.03 -0.12 0.68 -0.67 117.98 123.00 2c9t s PHE 202 Ca 0.40 -0.28 -0.15 0.00 -0.05 0.00 0.00 56.93 56.85 2c9t s PHE 202 Cb -0.18 0.28 0.02 0.00 -0.63 0.00 0.00 43.02 42.50 2c9t s PHE 202 CO 0.19 -0.82 0.46 -0.98 -0.05 0.00 0.00 175.22 174.03 2c9t s ARG 203 N -3.87 1.33 0.31 1.99 1.70 -0.80 0.29 118.95 119.90 2c9t s ARG 203 Ca 0.08 -0.95 -0.29 0.00 -0.47 0.00 0.00 55.73 54.10 2c9t s ARG 203 Cb 0.01 0.48 -0.11 0.00 -0.57 0.00 0.00 34.95 34.76 2c9t s ARG 203 CO -0.05 -0.55 1.54 -1.21 -1.08 0.00 0.00 175.30 173.95 2c9t s GLU 204 N -3.90 4.15 0.00 3.89 2.02 -0.08 -0.11 118.70 124.66 2c9t s GLU 204 Ca 0.11 2.53 0.24 0.00 0.02 0.00 0.00 54.97 57.88 2c9t s GLU 204 Cb 0.00 -3.02 1.45 0.00 0.10 0.00 0.00 34.13 32.66 2c9t s GLU 204 CO -0.02 -0.56 1.81 2.89 0.02 0.00 0.00 175.26 179.40