#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1h s VAL 11 N 0.00 2.40 -0.06 5.18 1.01 -1.26 -4.96 120.40 122.70 3g1h s VAL 11 Ca 0.00 0.36 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 3g1h s VAL 11 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 3g1h s VAL 11 CO 0.00 0.07 1.03 -0.32 0.00 0.00 0.00 175.10 175.88 3g1h s MET 12 N -1.12 4.45 -0.69 2.72 1.75 -1.26 -3.47 119.30 121.67 3g1h s MET 12 Ca 0.56 1.45 0.00 0.00 -1.25 0.00 0.00 55.69 56.45 3g1h s MET 12 Cb -0.44 -3.51 0.00 0.00 2.84 0.00 0.00 34.83 33.72 3g1h s MET 12 CO 0.51 -0.26 0.00 0.09 -0.65 0.00 0.00 175.02 174.71 3g1h n ASN 13 N 4.69 -5.18 -2.38 1.11 3.02 -1.26 -2.79 115.26 112.46 3g1h n ASN 13 Ca 0.08 0.16 -0.13 0.00 -0.03 0.00 0.00 54.58 54.66 3g1h n ASN 13 Cb 0.49 -3.26 -0.01 0.00 -0.61 0.00 0.00 39.78 36.39 3g1h n ASN 13 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3g1h n ARG 14 N -0.95 -2.12 -3.90 3.52 1.74 -1.23 -4.92 116.66 108.80 3g1h n ARG 14 Ca -0.07 0.65 -0.30 0.00 -0.77 0.00 0.00 57.85 57.36 3g1h n ARG 14 Cb 0.45 -5.24 -0.15 0.00 -1.02 0.00 0.00 32.46 26.49 3g1h n ARG 14 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3g1h s LEU 15 N -5.56 2.99 -0.07 0.55 2.96 -1.12 -0.47 118.68 117.96 3g1h s LEU 15 Ca 0.00 -1.54 -0.16 0.00 -0.22 0.00 0.00 54.13 52.22 3g1h s LEU 15 Cb 0.00 -1.19 -0.05 0.00 0.50 0.00 0.00 46.19 45.45 3g1h s LEU 15 CO 0.00 -0.32 0.41 -0.63 -1.32 0.00 0.00 176.35 174.49 3g1h s ILE 16 N 1.35 5.13 -0.28 6.68 1.01 0.70 -4.62 121.20 131.17 3g1h s ILE 16 Ca 0.03 0.82 -0.20 0.00 0.00 0.00 0.00 60.65 61.29 3g1h s ILE 16 Cb -0.18 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 3g1h s ILE 16 CO -0.12 0.46 0.64 -0.22 0.00 0.00 0.00 174.94 175.70 3g1h s LEU 17 N -0.23 4.10 -0.67 2.97 2.96 -0.60 -1.37 118.68 125.83 3g1h s LEU 17 Ca 0.23 0.58 -0.21 0.00 -0.22 0.00 0.00 54.13 54.52 3g1h s LEU 17 Cb -0.15 -2.85 0.09 0.00 0.50 0.00 0.00 46.19 43.78 3g1h s LEU 17 CO 0.11 -0.43 0.88 0.00 -1.32 0.00 0.00 176.35 175.59 3g1h s ALA 18 N 2.57 3.26 -1.02 5.97 0.00 -0.34 -0.02 121.76 132.19 3g1h s ALA 18 Ca 0.26 -2.10 -0.19 0.00 0.00 0.00 0.00 51.96 49.92 3g1h s ALA 18 Cb -0.15 -3.76 0.10 0.00 0.00 0.00 0.00 23.12 19.32 3g1h s ALA 18 CO 0.10 -2.64 1.32 1.41 0.00 0.00 0.00 175.76 175.95 3g1h s MET 19 N 3.37 3.69 0.00 0.00 1.75 -0.40 -4.36 119.30 123.34 3g1h s MET 19 Ca 0.19 -1.68 0.22 0.00 -1.25 0.00 0.00 55.69 53.18 3g1h s MET 19 Cb -0.18 -5.13 0.57 0.00 2.84 0.00 0.00 34.83 32.93 3g1h s MET 19 CO 0.06 -1.95 1.49 -0.25 -0.65 0.00 0.00 175.02 173.72 3g1h n ASP 20 N 7.34 3.79 -4.73 1.11 8.00 -1.26 -4.34 116.55 126.46 3g1h n ASP 20 Ca 0.31 -1.99 -0.34 0.00 0.71 0.00 0.00 54.79 53.47 3g1h n ASP 20 Cb 0.49 -0.41 0.09 0.00 -0.02 0.00 0.00 41.12 41.26 3g1h n ASP 20 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3g1h s LEU 21 N -1.13 3.35 0.00 0.64 1.43 -1.26 -4.46 118.68 117.25 3g1h s LEU 21 Ca 0.45 2.33 0.14 0.00 -1.03 0.00 0.00 54.13 56.03 3g1h s LEU 21 Cb 0.24 -4.59 0.34 0.00 0.03 0.00 0.00 46.19 42.22 3g1h s LEU 21 CO 0.32 -2.16 1.25 0.23 0.23 0.00 0.00 176.35 176.22 3g1h n MET 22 N -2.61 2.41 -4.79 1.70 2.81 -1.26 -3.69 117.12 111.70 3g1h n MET 22 Ca 0.13 -2.04 -0.26 0.00 -1.81 0.00 0.00 57.70 53.73 3g1h n MET 22 Cb 0.50 -1.34 -0.16 0.00 -0.71 0.00 0.00 33.22 31.51 3g1h n MET 22 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3g1h s ASN 23 N -1.06 2.09 0.26 7.83 2.20 -1.26 -4.49 114.94 120.51 3g1h s ASN 23 Ca 0.28 -0.35 -0.08 0.00 -0.94 0.00 0.00 52.86 51.77 3g1h s ASN 23 Cb 0.15 -0.69 0.44 0.00 -2.00 0.00 0.00 41.25 39.15 3g1h s ASN 23 CO 0.20 0.12 1.60 -0.09 -2.94 0.00 0.00 177.10 176.00 3g1h h ARG 24 N 6.45 0.03 0.28 3.55 2.43 -1.93 -2.45 114.38 122.73 3g1h h ARG 24 Ca -0.31 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.84 3g1h h ARG 24 Cb 1.18 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3g1h h ARG 24 CO 0.48 0.02 -0.13 -0.44 -1.51 0.00 0.00 179.97 178.38 3g1h h ASP 25 N 0.03 -0.32 -0.12 -3.80 3.32 -1.99 -2.13 116.42 111.41 3g1h h ASP 25 Ca 0.43 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 3g1h h ASP 25 Cb 0.74 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 3g1h h ASP 25 CO -0.82 -0.13 0.08 0.44 -1.72 0.00 0.00 179.24 177.09 3g1h h ASP 26 N -0.49 0.14 -0.10 6.45 5.19 -1.95 -1.94 116.42 123.72 3g1h h ASP 26 Ca -0.04 -0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.35 3g1h h ASP 26 Cb 0.37 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 3g1h h ASP 26 CO 0.06 0.13 0.01 0.00 -3.12 0.00 0.00 179.24 176.33 3g1h h ALA 27 N 1.02 0.10 -0.18 3.45 0.00 -1.50 -1.95 119.26 120.19 3g1h h ALA 27 Ca 0.04 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3g1h h ALA 27 Cb 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3g1h h ALA 27 CO -0.01 -0.45 -0.10 -0.07 0.00 0.00 0.00 179.25 178.62 3g1h h LEU 28 N 0.05 -0.33 0.54 0.00 3.38 -1.31 -1.22 115.31 116.43 3g1h h LEU 28 Ca 0.05 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3g1h h LEU 28 Cb 0.05 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3g1h h LEU 28 CO -0.07 -0.13 -0.51 -0.09 0.09 0.00 0.00 178.44 177.73 3g1h h ARG 29 N -0.09 -1.00 -0.85 1.13 2.43 -1.13 -1.14 114.38 113.72 3g1h h ARG 29 Ca 0.10 0.07 0.14 0.00 -0.81 0.00 0.00 59.98 59.48 3g1h h ARG 29 Cb 0.24 0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 3g1h h ARG 29 CO -0.23 -0.67 0.56 0.28 -1.51 0.00 0.00 179.97 178.40 3g1h h VAL 30 N -1.04 0.83 0.50 0.20 2.07 -1.31 0.11 116.25 117.62 3g1h h VAL 30 Ca -0.07 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3g1h h VAL 30 Cb 0.89 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3g1h h VAL 30 CO -0.04 0.12 -0.24 0.74 0.02 0.00 0.00 177.57 178.16 3g1h h THR 31 N 0.63 0.51 -0.46 2.57 2.02 -0.68 -2.85 112.91 114.65 3g1h h THR 31 Ca 0.42 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.61 3g1h h THR 31 Cb 0.73 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 3g1h h THR 31 CO -0.18 0.00 0.29 1.23 0.37 0.00 0.00 175.52 177.23 3g1h h GLY 32 N -0.68 0.65 0.92 2.16 0.00 -0.26 0.04 103.07 105.91 3g1h h GLY 32 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3g1h h GLY 32 CO 0.11 0.20 0.00 1.18 0.00 0.00 0.00 176.54 178.04 3g1h n GLU 33 N -4.80 0.00 0.00 4.80 1.02 0.28 -1.03 120.64 120.91 3g1h n GLU 33 Ca 0.02 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3g1h n GLU 33 Cb 0.05 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 3g1h n GLU 33 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3g1h n VAL 34 N -0.96 0.00 0.20 2.62 0.24 -0.74 -3.72 118.33 115.96 3g1h n VAL 34 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.34 62.48 3g1h n VAL 34 Cb 0.00 1.50 0.81 0.00 -1.47 0.00 0.00 33.84 34.68 3g1h n VAL 34 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3g1h h ARG 35 N 0.00 0.00 0.00 7.34 9.65 0.71 0.11 114.38 132.19 3g1h h ARG 35 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3g1h h ARG 35 Cb 0.65 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 3g1h h ARG 35 CO 0.00 0.00 0.00 -0.85 2.80 0.00 0.00 179.97 181.92 3g1h n GLU 36 N -3.49 0.13 -0.09 0.20 0.28 -1.26 -4.12 120.64 112.29 3g1h n GLU 36 Ca 0.03 0.12 -0.20 0.00 -0.16 0.00 0.00 57.16 56.95 3g1h n GLU 36 Cb 0.46 -1.66 -0.07 0.00 1.43 0.00 0.00 31.44 31.60 3g1h n GLU 36 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3g1h n TYR 37 N -1.89 0.00 -4.12 -1.84 4.02 0.30 -5.00 117.16 108.63 3g1h n TYR 37 Ca 0.06 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.60 3g1h n TYR 37 Cb 0.38 -0.66 -0.09 0.00 -0.02 0.00 0.00 39.34 38.95 3g1h n TYR 37 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3g1h s ILE 38 N -2.33 4.74 -0.70 -0.72 -5.25 -0.79 -4.57 121.20 111.58 3g1h s ILE 38 Ca -0.26 -0.07 0.08 0.00 -0.99 0.00 0.00 60.65 59.41 3g1h s ILE 38 Cb 0.10 -3.07 -0.00 0.00 2.95 0.00 0.00 42.46 42.43 3g1h s ILE 38 CO 0.32 0.54 0.54 -0.90 -1.79 0.00 0.00 174.94 173.66 3g1h n ASP 39 N 2.76 1.04 -4.16 4.36 5.75 -1.26 -4.49 116.55 120.56 3g1h n ASP 39 Ca -0.18 -1.02 -0.31 0.00 -0.01 0.00 0.00 54.79 53.27 3g1h n ASP 39 Cb 0.53 0.48 -0.17 0.00 -1.03 0.00 0.00 41.12 40.93 3g1h n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3g1h s THR 40 N -1.16 1.87 -0.07 2.12 2.01 -1.26 -1.81 115.64 117.34 3g1h s THR 40 Ca 0.06 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.20 3g1h s THR 40 Cb 0.06 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 70.93 3g1h s THR 40 CO 0.19 0.52 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.79 3g1h s VAL 41 N 0.63 1.43 -0.17 3.82 1.01 0.22 -1.56 120.40 125.77 3g1h s VAL 41 Ca -0.13 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 3g1h s VAL 41 Cb -0.16 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3g1h s VAL 41 CO 0.03 0.42 0.48 -0.75 0.00 0.00 0.00 175.10 175.28 3g1h s LYS 42 N 0.52 4.23 -0.13 2.72 2.20 0.98 -1.70 119.74 128.57 3g1h s LYS 42 Ca -0.15 0.37 0.02 0.00 -0.36 0.00 0.00 55.97 55.86 3g1h s LYS 42 Cb -0.16 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 3g1h s LYS 42 CO 0.05 -0.03 -0.21 0.42 -0.36 0.00 0.00 175.35 175.23 3g1h s ILE 43 N 1.24 2.25 0.23 5.43 1.01 -0.08 -1.28 121.20 130.01 3g1h s ILE 43 Ca 0.23 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.97 3g1h s ILE 43 Cb -0.15 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.43 3g1h s ILE 43 CO 0.09 0.54 0.13 0.61 0.00 0.00 0.00 174.94 176.32 3g1h n GLY 44 N 3.90 3.18 0.29 6.18 0.00 -1.26 -1.04 105.19 116.44 3g1h n GLY 44 Ca -0.19 -2.24 0.03 0.00 0.00 0.00 0.00 46.02 43.61 3g1h n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3g1h h TYR 45 N 0.71 0.51 0.02 1.61 0.99 -1.97 -1.49 116.97 117.35 3g1h h TYR 45 Ca -0.16 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.59 3g1h h TYR 45 Cb 0.55 -0.16 -0.04 0.00 1.00 0.00 0.00 36.73 38.08 3g1h h TYR 45 CO 0.00 0.38 -0.24 -1.35 -0.00 0.00 0.00 178.16 176.96 3g1h h PRO 46 N 0.53 -0.37 -0.15 4.88 0.11 -1.92 0.96 132.00 136.03 3g1h h PRO 46 Ca 0.13 0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 3g1h h PRO 46 Cb 0.07 0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 3g1h h PRO 46 CO -0.02 -0.25 -0.09 1.25 -0.21 0.00 0.00 178.00 178.69 3g1h h LEU 47 N -0.39 0.33 -0.68 2.35 5.85 -1.61 -2.27 115.31 118.90 3g1h h LEU 47 Ca 0.05 -0.43 -0.07 0.00 0.84 0.00 0.00 57.88 58.27 3g1h h LEU 47 Cb 0.46 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3g1h h LEU 47 CO -0.20 0.69 0.13 0.58 -0.34 0.00 0.00 178.44 179.31 3g1h h VAL 48 N -0.02 1.26 -0.40 1.05 2.07 -1.10 -0.88 116.25 118.22 3g1h h VAL 48 Ca 0.03 -1.01 -0.13 0.00 0.82 0.00 0.00 66.70 66.41 3g1h h VAL 48 Cb 0.57 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3g1h h VAL 48 CO 0.02 0.38 -0.26 -0.07 0.02 0.00 0.00 177.57 177.66 3g1h h LEU 49 N 1.03 0.93 0.18 2.57 3.38 0.90 0.93 115.31 125.23 3g1h h LEU 49 Ca 0.21 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3g1h h LEU 49 Cb 0.41 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3g1h h LEU 49 CO 0.01 1.16 -0.09 0.28 0.09 0.00 0.00 178.44 179.89 3g1h h SER 50 N 0.71 -0.20 0.39 -0.43 0.02 -1.32 -3.37 113.55 109.35 3g1h h SER 50 Ca 0.08 -0.25 -0.29 0.00 -0.84 0.00 0.00 61.79 60.49 3g1h h SER 50 Cb 0.84 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.38 3g1h h SER 50 CO 0.07 0.16 -1.84 -0.62 -1.14 0.00 0.00 176.83 173.46 3g1h n GLU 51 N -5.04 0.64 0.00 3.45 -0.58 -0.35 -5.04 120.64 113.73 3g1h n GLU 51 Ca -0.09 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 3g1h n GLU 51 Cb 0.23 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 3g1h n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g1h n GLY 52 N 1.58 2.82 0.51 0.62 0.00 0.32 -4.78 105.19 106.25 3g1h n GLY 52 Ca -0.20 -1.81 0.33 0.00 0.00 0.00 0.00 46.02 44.35 3g1h n GLY 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g1h h MET 53 N 0.00 0.09 0.00 1.61 2.86 -1.93 -0.60 114.93 116.95 3g1h h MET 53 Ca 0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3g1h h MET 53 Cb 0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 3g1h h MET 53 CO 0.00 0.06 -0.01 -0.44 1.06 0.00 0.00 176.91 177.58 3g1h h ASP 54 N 0.09 0.00 -0.70 1.22 3.32 -1.92 -2.29 116.42 116.14 3g1h h ASP 54 Ca 0.60 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.85 3g1h h ASP 54 Cb 2.16 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.68 3g1h h ASP 54 CO -0.09 0.01 0.63 -0.29 -1.72 0.00 0.00 179.24 177.78 3g1h h ILE 55 N 0.00 0.38 -0.12 0.35 6.09 -1.41 0.39 117.51 123.19 3g1h h ILE 55 Ca -0.00 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.45 3g1h h ILE 55 Cb 0.03 0.52 -0.00 0.00 0.47 0.00 0.00 36.82 37.84 3g1h h ILE 55 CO 0.00 0.00 -0.07 0.40 -3.07 0.00 0.00 178.15 175.41 3g1h h ILE 56 N 0.00 1.33 -0.01 2.19 2.04 -1.64 -1.95 117.51 119.46 3g1h h ILE 56 Ca 0.33 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 3g1h h ILE 56 Cb 1.59 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 39.50 3g1h h ILE 56 CO -0.00 0.32 0.01 0.00 0.00 0.00 0.00 178.15 178.48 3g1h h ALA 57 N 0.63 0.02 0.00 1.87 0.00 -1.11 -1.79 119.26 118.88 3g1h h ALA 57 Ca 0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g1h h ALA 57 Cb 0.54 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3g1h h ALA 57 CO 0.02 -0.45 -0.01 1.49 0.00 0.00 0.00 179.25 180.30 3g1h h GLU 58 N -0.05 0.00 0.06 0.00 4.81 -1.45 -0.20 114.58 117.75 3g1h h GLU 58 Ca 0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 3g1h h GLU 58 Cb 0.07 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3g1h h GLU 58 CO -0.00 0.01 -1.21 0.74 -0.73 0.00 0.00 179.01 177.82 3g1h h PHE 59 N 0.00 0.23 0.06 0.92 -1.00 -0.65 -2.87 116.94 113.62 3g1h h PHE 59 Ca -0.00 -0.17 -0.14 0.00 2.81 0.00 0.00 57.97 60.48 3g1h h PHE 59 Cb 0.07 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 39.63 3g1h h PHE 59 CO 0.00 1.15 -0.57 0.00 -1.61 0.00 0.00 178.31 177.28 3g1h h ARG 60 N 0.03 0.28 -0.54 1.51 3.08 -0.42 -2.10 114.38 116.22 3g1h h ARG 60 Ca -0.11 -0.38 -0.08 0.00 0.07 0.00 0.00 59.98 59.48 3g1h h ARG 60 Cb 1.89 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 32.05 3g1h h ARG 60 CO 0.15 1.12 0.01 0.87 -1.07 0.00 0.00 179.97 181.05 3g1h h LYS 61 N -0.37 0.91 0.00 0.04 1.57 -1.23 1.05 116.57 118.54 3g1h h LYS 61 Ca -0.09 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3g1h h LYS 61 Cb 1.36 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3g1h h LYS 61 CO 0.11 0.90 -0.39 0.54 -0.57 0.00 0.00 179.45 180.04 3g1h n ARG 62 N -4.20 0.28 0.00 3.15 1.74 -1.08 -4.47 116.66 112.08 3g1h n ARG 62 Ca 0.03 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 3g1h n ARG 62 Cb 0.32 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 3g1h n ARG 62 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3g1h n PHE 63 N -2.17 0.00 -2.65 -1.55 3.01 -0.79 -5.03 117.46 108.28 3g1h n PHE 63 Ca 0.04 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.32 3g1h n PHE 63 Cb 0.44 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.92 3g1h n PHE 63 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3g1h n GLY 64 N 0.85 -0.36 3.99 1.37 0.00 0.36 -5.00 105.19 106.41 3g1h n GLY 64 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 3g1h n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h s ARG 66 N -4.41 4.44 -0.23 0.00 1.81 -0.75 -4.76 118.95 115.05 3g1h s ARG 66 Ca 0.52 1.08 0.02 0.00 -1.72 0.00 0.00 55.73 55.62 3g1h s ARG 66 Cb -0.10 -2.99 0.05 0.00 -0.45 0.00 0.00 34.95 31.47 3g1h s ARG 66 CO 0.34 0.43 -0.09 0.42 -0.68 0.00 0.00 175.30 175.72 3g1h s ILE 67 N -1.42 1.79 -0.28 1.52 -1.09 -1.26 -0.61 121.20 119.86 3g1h s ILE 67 Ca 0.42 -1.30 -0.13 0.00 -2.23 0.00 0.00 60.65 57.42 3g1h s ILE 67 Cb -0.19 -1.94 -0.04 0.00 -1.58 0.00 0.00 42.46 38.70 3g1h s ILE 67 CO 0.23 0.01 0.26 -0.63 -1.23 0.00 0.00 174.94 173.59 3g1h s ILE 68 N 1.29 5.26 -0.51 2.92 1.01 -0.69 -1.44 121.20 129.04 3g1h s ILE 68 Ca -0.05 0.31 -0.24 0.00 0.00 0.00 0.00 60.65 60.67 3g1h s ILE 68 Cb -0.18 -3.60 0.04 0.00 0.01 0.00 0.00 42.46 38.72 3g1h s ILE 68 CO -0.07 0.20 0.88 0.00 0.00 0.00 0.00 174.94 175.96 3g1h s ALA 69 N 1.88 3.21 -1.34 9.38 0.00 0.92 -0.90 121.76 134.91 3g1h s ALA 69 Ca 0.10 -1.16 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 3g1h s ALA 69 Cb -0.16 -3.64 0.11 0.00 0.00 0.00 0.00 23.12 19.43 3g1h s ALA 69 CO 0.11 -2.21 1.92 -3.47 0.00 0.00 0.00 175.76 172.10 3g1h n ASP 70 N 7.17 4.64 -0.27 0.00 -0.08 -0.21 -1.20 116.55 126.60 3g1h n ASP 70 Ca 0.02 -2.96 0.11 0.00 -1.51 0.00 0.00 54.79 50.45 3g1h n ASP 70 Cb 0.48 -1.60 0.05 0.00 2.34 0.00 0.00 41.12 42.39 3g1h n ASP 70 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3g1h n PHE 71 N 5.66 0.00 -4.21 -0.67 0.99 -1.25 -4.32 117.46 113.66 3g1h n PHE 71 Ca 0.45 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.61 3g1h n PHE 71 Cb 0.40 -0.04 -0.07 0.00 -1.00 0.00 0.00 39.48 38.76 3g1h n PHE 71 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3g1h n LYS 72 N -0.68 -1.72 -1.65 -1.08 5.02 -0.57 -4.73 118.16 112.76 3g1h n LYS 72 Ca 0.08 0.20 -0.57 0.00 -2.02 0.00 0.00 58.31 55.99 3g1h n LYS 72 Cb 0.40 -3.94 -0.07 0.00 -0.02 0.00 0.00 35.03 31.39 3g1h n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3g1h n VAL 73 N -4.51 0.12 -2.70 -0.18 0.31 -1.09 -4.27 118.33 106.01 3g1h n VAL 73 Ca -0.30 -0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 63.92 3g1h n VAL 73 Cb 0.68 -0.83 0.06 0.00 -0.91 0.00 0.00 33.84 32.85 3g1h n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g1h n ALA 74 N 3.67 2.45 -3.60 3.52 0.00 -1.26 -1.48 120.51 123.81 3g1h n ALA 74 Ca 0.23 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 51.24 3g1h n ALA 74 Cb 0.12 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3g1h n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g1h n ASP 75 N -0.23 1.93 -4.84 0.00 -0.08 -1.26 -4.98 116.55 107.08 3g1h n ASP 75 Ca 0.05 -0.64 -0.31 0.00 -1.51 0.00 0.00 54.79 52.39 3g1h n ASP 75 Cb 0.82 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.33 3g1h n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3g1h s ILE 76 N -0.22 3.84 0.18 5.18 -4.36 -1.26 -4.76 121.20 119.80 3g1h s ILE 76 Ca 0.00 0.60 -0.20 0.00 -0.26 0.00 0.00 60.65 60.78 3g1h s ILE 76 Cb 0.00 -3.46 0.12 0.00 1.25 0.00 0.00 42.46 40.37 3g1h s ILE 76 CO 0.00 -0.78 1.60 -0.65 0.24 0.00 0.00 174.94 175.35 3g1h h PRO 77 N -0.70 -0.16 -0.53 0.37 0.11 -1.86 -0.61 132.00 128.62 3g1h h PRO 77 Ca -0.45 0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.77 3g1h h PRO 77 Cb 1.23 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.29 3g1h h PRO 77 CO 0.60 -0.11 0.05 0.93 -0.21 0.00 0.00 178.00 179.26 3g1h h GLU 78 N -0.17 0.17 -0.13 1.05 3.07 -1.95 -1.53 114.58 115.09 3g1h h GLU 78 Ca 0.22 -0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 58.88 3g1h h GLU 78 Cb 0.53 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3g1h h GLU 78 CO -0.62 0.11 -0.71 1.15 -1.40 0.00 0.00 179.01 177.54 3g1h h THR 79 N 0.17 1.33 -0.92 1.13 2.02 -1.84 -3.12 112.91 111.69 3g1h h THR 79 Ca 0.27 -2.01 0.05 0.00 0.77 0.00 0.00 66.41 65.49 3g1h h THR 79 Cb 0.40 1.98 -0.06 0.00 -1.74 0.00 0.00 68.15 68.74 3g1h h THR 79 CO -0.40 0.62 0.60 0.78 0.37 0.00 0.00 175.52 177.49 3g1h h ASN 80 N 0.41 0.97 -0.78 4.18 4.21 -0.56 -0.96 115.58 123.05 3g1h h ASN 80 Ca -0.03 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 3g1h h ASN 80 Cb 1.30 -0.22 -0.04 0.00 -1.12 0.00 0.00 38.32 38.24 3g1h h ASN 80 CO 0.13 0.65 0.46 -0.33 -1.29 0.00 0.00 177.43 177.05 3g1h h GLU 81 N 1.12 1.06 -0.31 0.81 5.08 -1.23 -0.07 114.58 121.03 3g1h h GLU 81 Ca 0.37 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.49 3g1h h GLU 81 Cb 0.07 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3g1h h GLU 81 CO -0.12 0.76 -0.35 0.87 -1.00 0.00 0.00 179.01 179.16 3g1h h LYS 82 N 1.06 0.79 -0.52 2.33 1.57 -1.38 -0.18 116.57 120.24 3g1h h LYS 82 Ca 0.28 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3g1h h LYS 82 Cb -0.02 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3g1h h LYS 82 CO -0.05 1.06 0.21 0.82 -0.57 0.00 0.00 179.45 180.92 3g1h h ILE 83 N 0.55 1.22 -0.16 1.86 2.04 -0.96 -1.32 117.51 120.74 3g1h h ILE 83 Ca 0.04 -0.67 -0.12 0.00 1.00 0.00 0.00 64.86 65.12 3g1h h ILE 83 Cb 0.94 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3g1h h ILE 83 CO 0.09 0.25 -0.41 0.00 0.00 0.00 0.00 178.15 178.08 3g1h h ARG 85 N 0.31 0.35 -0.12 0.00 2.43 -0.68 -1.30 114.38 115.37 3g1h h ARG 85 Ca 0.03 -0.10 -0.14 0.00 -0.81 0.00 0.00 59.98 58.96 3g1h h ARG 85 Cb 0.85 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 3g1h h ARG 85 CO 0.07 0.51 -0.53 0.00 -1.51 0.00 0.00 179.97 178.52 3g1h h ALA 86 N 0.82 0.88 -0.31 2.80 0.00 -1.21 0.23 119.26 122.47 3g1h h ALA 86 Ca 0.06 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 3g1h h ALA 86 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3g1h h ALA 86 CO 0.01 0.68 -0.04 1.15 0.00 0.00 0.00 179.25 181.04 3g1h h THR 87 N 0.27 1.27 -0.10 0.00 2.02 -1.24 -0.24 112.91 114.89 3g1h h THR 87 Ca 0.01 -1.04 -0.24 0.00 0.77 0.00 0.00 66.41 65.91 3g1h h THR 87 Cb 1.02 1.32 0.01 0.00 -1.74 0.00 0.00 68.15 68.76 3g1h h THR 87 CO 0.09 0.34 -0.86 -0.26 0.37 0.00 0.00 175.52 175.19 3g1h h PHE 88 N 0.36 1.06 -0.38 3.16 0.04 -1.19 -2.51 116.94 117.47 3g1h h PHE 88 Ca 0.08 -0.50 0.09 0.00 2.80 0.00 0.00 57.97 60.44 3g1h h PHE 88 Cb 0.51 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3g1h h PHE 88 CO 0.04 1.33 0.27 -0.22 -0.60 0.00 0.00 178.31 179.14 3g1h h LYS 89 N 0.49 0.10 -0.00 1.51 3.64 -0.42 0.17 116.57 122.06 3g1h h LYS 89 Ca -0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3g1h h LYS 89 Cb 1.50 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 3g1h h LYS 89 CO 0.17 0.07 -0.00 0.00 -2.27 0.00 0.00 179.45 177.42 3g1h n ALA 90 N -2.58 2.68 -0.16 5.00 0.00 -0.11 -4.89 120.51 120.44 3g1h n ALA 90 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3g1h n ALA 90 Cb 0.38 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3g1h n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1h n GLY 91 N 1.02 1.44 3.71 0.00 0.00 0.58 -4.24 105.19 107.70 3g1h n GLY 91 Ca 0.23 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3g1h n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h s ALA 92 N -2.00 3.39 0.24 4.61 0.00 -0.97 -4.80 121.76 122.23 3g1h s ALA 92 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.00 3g1h s ALA 92 Cb 0.00 -2.90 0.26 0.00 0.00 0.00 0.00 23.12 20.48 3g1h s ALA 92 CO 0.00 -0.14 1.59 -0.44 0.00 0.00 0.00 175.76 176.77 3g1h h ASP 93 N 6.84 0.41 -5.06 0.00 3.32 -1.60 -3.42 116.42 116.91 3g1h h ASP 93 Ca -0.40 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.39 3g1h h ASP 93 Cb 1.19 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.48 3g1h h ASP 93 CO 0.76 0.85 -0.08 0.00 -1.72 0.00 0.00 179.24 179.05 3g1h s ALA 94 N -4.00 -0.96 -0.00 3.45 0.00 -1.19 -1.70 121.76 117.35 3g1h s ALA 94 Ca -0.06 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.01 3g1h s ALA 94 Cb 0.12 0.59 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 3g1h s ALA 94 CO 0.81 -0.59 -0.13 -1.50 0.00 0.00 0.00 175.76 174.35 3g1h s ILE 95 N -3.40 1.06 -0.03 0.00 2.07 -0.79 -0.06 121.20 120.06 3g1h s ILE 95 Ca 0.00 -0.63 -0.15 0.00 -1.41 0.00 0.00 60.65 58.46 3g1h s ILE 95 Cb 0.01 -0.89 -0.05 0.00 0.13 0.00 0.00 42.46 41.65 3g1h s ILE 95 CO -0.09 0.25 0.39 -0.63 -1.91 0.00 0.00 174.94 172.95 3g1h s ILE 96 N -0.40 5.09 0.07 2.00 1.01 -0.34 -1.04 121.20 127.60 3g1h s ILE 96 Ca 0.05 0.79 0.04 0.00 0.00 0.00 0.00 60.65 61.53 3g1h s ILE 96 Cb -0.06 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 3g1h s ILE 96 CO -0.00 0.54 -0.12 -0.69 0.00 0.00 0.00 174.94 174.67 3g1h s VAL 97 N -0.79 0.94 0.23 2.92 1.01 0.12 -1.51 120.40 123.33 3g1h s VAL 97 Ca 0.23 -1.33 -0.21 0.00 0.00 0.00 0.00 61.98 60.67 3g1h s VAL 97 Cb -0.16 -1.02 -0.08 0.00 0.00 0.00 0.00 36.38 35.11 3g1h s VAL 97 CO 0.12 -0.34 0.77 -1.00 0.00 0.00 0.00 175.10 174.65 3g1h s HIS 98 N -1.55 3.69 -0.12 5.22 3.76 -0.55 -0.25 115.29 125.49 3g1h s HIS 98 Ca -0.02 1.49 0.15 0.00 -0.15 0.00 0.00 55.06 56.53 3g1h s HIS 98 Cb -0.08 -2.69 -0.24 0.00 1.11 0.00 0.00 32.58 30.68 3g1h s HIS 98 CO 0.01 0.34 0.38 0.41 -0.85 0.00 0.00 174.74 175.03 3g1h n GLY 99 N 0.81 -1.00 0.33 -2.22 0.00 -1.23 -4.49 105.19 97.38 3g1h n GLY 99 Ca -0.02 -0.18 0.23 0.00 0.00 0.00 0.00 46.02 46.05 3g1h n GLY 99 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3g1h h PHE 100 N 0.00 0.54 0.00 1.61 3.57 -1.93 -0.52 116.94 120.21 3g1h h PHE 100 Ca -0.41 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.14 3g1h h PHE 100 Cb 2.12 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.79 3g1h h PHE 100 CO 0.00 -0.38 0.00 -1.35 -2.23 0.00 0.00 178.31 174.35 3g1h h PRO 101 N 0.08 0.00 0.00 6.41 0.11 -1.94 -3.48 132.00 133.18 3g1h h PRO 101 Ca 0.72 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.83 3g1h h PRO 101 Cb 1.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.84 3g1h h PRO 101 CO -0.77 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.43 3g1h n GLY 102 N -0.98 1.95 0.24 -0.55 0.00 -0.20 -4.72 105.19 100.93 3g1h n GLY 102 Ca -0.01 -2.13 -0.16 0.00 0.00 0.00 0.00 46.02 43.72 3g1h n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h h ALA 103 N 0.00 0.42 -0.56 4.61 0.00 -1.93 -2.99 119.26 118.80 3g1h h ALA 103 Ca 0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 3g1h h ALA 103 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3g1h h ALA 103 CO 0.00 0.68 0.21 0.38 0.00 0.00 0.00 179.25 180.52 3g1h h ASP 104 N 0.62 0.79 -0.46 0.00 2.03 -1.98 0.36 116.42 117.77 3g1h h ASP 104 Ca -0.01 -0.18 -0.02 0.00 -0.73 0.00 0.00 57.03 56.08 3g1h h ASP 104 Cb 1.25 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 39.53 3g1h h ASP 104 CO 0.14 0.76 0.19 0.28 -1.03 0.00 0.00 179.24 179.58 3g1h h SER 105 N 0.77 0.63 -0.30 4.15 0.02 -1.84 -1.09 113.55 115.89 3g1h h SER 105 Ca 0.18 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3g1h h SER 105 Cb 0.23 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3g1h h SER 105 CO -0.01 0.62 -0.04 0.58 -1.14 0.00 0.00 176.83 176.83 3g1h h VAL 106 N 0.60 1.27 -0.59 2.27 2.07 -1.38 -3.09 116.25 117.41 3g1h h VAL 106 Ca 0.15 -1.04 0.12 0.00 0.82 0.00 0.00 66.70 66.75 3g1h h VAL 106 Cb 0.18 1.35 -0.10 0.00 -1.52 0.00 0.00 31.29 31.20 3g1h h VAL 106 CO -0.01 0.33 0.02 -0.09 0.02 0.00 0.00 177.57 177.84 3g1h h ARG 107 N 0.33 0.13 -0.71 1.57 9.65 -0.02 -1.00 114.38 124.34 3g1h h ARG 107 Ca 0.08 -0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.06 3g1h h ARG 107 Cb 0.51 -0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 28.98 3g1h h ARG 107 CO 0.02 0.09 0.32 0.00 2.80 0.00 0.00 179.97 183.20 3g1h h ALA 108 N 1.52 0.98 -0.42 2.80 0.00 -1.12 -1.09 119.26 121.92 3g1h h ALA 108 Ca 0.31 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 3g1h h ALA 108 Cb 0.48 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3g1h h ALA 108 CO -0.48 -0.13 -0.12 0.00 0.00 0.00 0.00 179.25 178.52 3g1h h LEU 110 N 0.68 0.59 -0.38 0.00 3.38 -0.74 -1.22 115.31 117.63 3g1h h LEU 110 Ca 0.11 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.78 3g1h h LEU 110 Cb 0.60 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 3g1h h LEU 110 CO 0.04 0.83 -0.12 0.78 0.09 0.00 0.00 178.44 180.06 3g1h h ASN 111 N 0.33 -0.44 -0.51 -0.43 2.35 -1.06 0.66 115.58 116.48 3g1h h ASN 111 Ca 0.07 0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.89 3g1h h ASN 111 Cb 0.59 0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.21 3g1h h ASN 111 CO 0.03 -0.16 0.12 0.58 -1.65 0.00 0.00 177.43 176.35 3g1h h VAL 112 N -0.04 1.24 -0.40 2.81 2.07 -1.42 0.63 116.25 121.14 3g1h h VAL 112 Ca 0.19 -0.88 -0.11 0.00 0.82 0.00 0.00 66.70 66.72 3g1h h VAL 112 Cb 0.33 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3g1h h VAL 112 CO -0.41 0.33 -0.21 0.00 0.02 0.00 0.00 177.57 177.29 3g1h h ALA 113 N 1.28 0.89 0.09 1.67 0.00 0.18 -2.44 119.26 120.92 3g1h h ALA 113 Ca 0.18 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3g1h h ALA 113 Cb 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3g1h h ALA 113 CO 0.00 0.63 -0.04 1.49 0.00 0.00 0.00 179.25 181.33 3g1h h GLU 114 N 0.68 -0.11 0.00 0.00 4.81 0.72 -0.56 114.58 120.11 3g1h h GLU 114 Ca 0.10 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3g1h h GLU 114 Cb 0.71 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.12 3g1h h GLU 114 CO 0.05 0.29 0.06 -1.91 -0.73 0.00 0.00 179.01 176.77 3g1h n GLU 115 N -4.94 0.10 0.00 1.92 2.13 0.17 -2.23 120.64 117.79 3g1h n GLU 115 Ca -0.09 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.32 3g1h n GLU 115 Cb 0.24 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.06 3g1h n GLU 115 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3g1h n MET 116 N -2.05 0.03 -2.50 5.31 2.81 -0.93 -5.01 117.12 114.78 3g1h n MET 116 Ca -0.01 -0.68 -0.16 0.00 -1.81 0.00 0.00 57.70 55.03 3g1h n MET 116 Cb 0.08 -0.94 0.01 0.00 -0.71 0.00 0.00 33.22 31.66 3g1h n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g1h n GLY 117 N -0.11 -0.26 3.61 3.03 0.00 -0.36 -5.01 105.19 106.09 3g1h n GLY 117 Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 3g1h n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g1h s ARG 118 N -5.02 1.95 0.22 1.61 1.81 -0.40 -5.05 118.95 114.07 3g1h s ARG 118 Ca 0.09 -2.11 0.10 0.00 -1.72 0.00 0.00 55.73 52.09 3g1h s ARG 118 Cb -0.04 -1.59 -0.04 0.00 -0.45 0.00 0.00 34.95 32.82 3g1h s ARG 118 CO 0.11 -0.07 -0.08 -1.21 -0.68 0.00 0.00 175.30 173.37 3g1h s GLU 119 N -3.72 2.07 -0.09 3.54 2.02 -0.69 -4.34 118.70 117.49 3g1h s GLU 119 Ca 0.34 -1.38 0.02 0.00 0.02 0.00 0.00 54.97 53.98 3g1h s GLU 119 Cb 0.10 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 32.20 3g1h s GLU 119 CO 0.18 0.40 -0.16 0.08 0.02 0.00 0.00 175.26 175.77 3g1h s VAL 120 N -1.98 2.81 -0.13 2.63 1.01 -1.26 -1.88 120.40 121.60 3g1h s VAL 120 Ca 0.27 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 3g1h s VAL 120 Cb -0.08 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3g1h s VAL 120 CO 0.16 0.56 -0.05 -0.36 0.00 0.00 0.00 175.10 175.41 3g1h s PHE 121 N -0.10 3.00 -0.27 5.22 0.40 -0.20 -4.08 117.98 121.94 3g1h s PHE 121 Ca -0.03 -0.24 -0.08 0.00 -0.60 0.00 0.00 56.93 55.98 3g1h s PHE 121 Cb -0.14 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 3g1h s PHE 121 CO 0.04 0.05 0.10 -1.17 0.70 0.00 0.00 175.22 174.94 3g1h s LEU 122 N 0.06 3.69 -0.64 -0.37 2.96 -0.05 0.16 118.68 124.48 3g1h s LEU 122 Ca -0.01 -0.32 -0.28 0.00 -0.22 0.00 0.00 54.13 53.30 3g1h s LEU 122 Cb -0.14 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.63 3g1h s LEU 122 CO 0.03 -0.09 1.25 -0.22 -1.32 0.00 0.00 176.35 176.00 3g1h s LEU 123 N 1.61 3.33 -0.09 -0.68 2.96 0.66 -1.51 118.68 124.97 3g1h s LEU 123 Ca 0.06 -0.09 -0.16 0.00 -0.22 0.00 0.00 54.13 53.72 3g1h s LEU 123 Cb -0.16 -2.92 -0.28 0.00 0.50 0.00 0.00 46.19 43.33 3g1h s LEU 123 CO 0.05 -1.64 0.61 0.71 -1.32 0.00 0.00 176.35 174.75 3g1h h THR 124 N 6.13 1.06 -3.29 3.68 1.35 -1.81 -3.26 112.91 116.78 3g1h h THR 124 Ca -0.26 -2.43 -0.28 0.00 -0.55 0.00 0.00 66.41 62.88 3g1h h THR 124 Cb 1.06 2.77 -0.34 0.00 -1.73 0.00 0.00 68.15 69.91 3g1h h THR 124 CO 1.22 0.73 -0.65 -0.70 -0.25 0.00 0.00 175.52 175.87 3g1h s GLU 125 N -2.49 0.03 0.55 4.72 2.12 -1.25 -4.44 118.70 117.93 3g1h s GLU 125 Ca -0.19 0.36 -0.16 0.00 0.36 0.00 0.00 54.97 55.35 3g1h s GLU 125 Cb 0.04 -0.25 -0.06 0.00 0.26 0.00 0.00 34.13 34.12 3g1h s GLU 125 CO 0.79 -0.21 1.01 -1.64 -0.54 0.00 0.00 175.26 174.67 3g1h s MET 126 N 1.46 3.71 0.00 4.30 -1.94 -1.26 -3.25 119.30 122.32 3g1h s MET 126 Ca -0.05 1.02 0.26 0.00 -1.71 0.00 0.00 55.69 55.20 3g1h s MET 126 Cb -0.12 -2.10 0.66 0.00 2.01 0.00 0.00 34.83 35.28 3g1h s MET 126 CO -0.05 -0.47 1.51 -1.13 -0.01 0.00 0.00 175.02 174.87 3g1h n SER 127 N -1.82 0.95 -4.93 3.03 3.41 -1.26 -4.73 113.62 108.27 3g1h n SER 127 Ca 0.07 -0.78 -0.26 0.00 -0.26 0.00 0.00 58.87 57.65 3g1h n SER 127 Cb 0.54 0.18 0.06 0.00 -0.26 0.00 0.00 64.21 64.73 3g1h n SER 127 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3g1h s HIS 128 N -2.61 2.96 0.09 7.33 -3.43 -1.26 -4.78 115.29 113.59 3g1h s HIS 128 Ca 0.21 0.45 -0.23 0.00 -0.80 0.00 0.00 55.06 54.69 3g1h s HIS 128 Cb 0.19 -3.11 -0.14 0.00 -1.43 0.00 0.00 32.58 28.09 3g1h s HIS 128 CO 0.56 -1.30 1.74 -1.35 -2.00 0.00 0.00 174.74 172.39 3g1h h PRO 129 N -0.51 0.03 0.00 -0.38 0.11 -2.01 -2.53 132.00 126.71 3g1h h PRO 129 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3g1h h PRO 129 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3g1h h PRO 129 CO 0.60 0.03 0.26 0.41 -0.21 0.00 0.00 178.00 179.09 3g1h n GLY 130 N -1.07 -0.61 0.00 -0.55 0.00 -1.26 -0.77 105.19 100.92 3g1h n GLY 130 Ca -0.07 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.16 3g1h n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h n ALA 131 N -1.56 2.04 1.11 4.61 0.00 -0.95 -2.16 120.51 123.61 3g1h n ALA 131 Ca -0.01 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.46 3g1h n ALA 131 Cb 0.28 -1.28 0.17 0.00 0.00 0.00 0.00 19.45 18.62 3g1h n ALA 131 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3g1h n GLU 132 N -1.13 1.46 -0.07 0.00 1.02 0.05 -0.81 120.64 121.16 3g1h n GLU 132 Ca 0.11 -1.12 -0.10 0.00 -0.02 0.00 0.00 57.16 56.03 3g1h n GLU 132 Cb 0.09 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 29.96 3g1h n GLU 132 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 3g1h h MET 133 N 2.72 0.00 0.00 3.49 2.86 -1.65 -3.45 114.93 118.91 3g1h h MET 133 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g1h h MET 133 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 3g1h h MET 133 CO 0.00 0.61 -0.66 1.19 1.06 0.00 0.00 176.91 179.11 3g1h n PHE 134 N -4.64 0.00 0.40 -0.22 3.01 -1.26 -4.84 117.46 109.91 3g1h n PHE 134 Ca -0.10 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.20 3g1h n PHE 134 Cb 0.35 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.74 3g1h n PHE 134 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3g1h h ILE 135 N 0.00 0.00 -0.87 4.37 2.04 -1.85 -3.28 117.51 117.91 3g1h h ILE 135 Ca 0.00 -0.16 0.22 0.00 1.00 0.00 0.00 64.86 65.93 3g1h h ILE 135 Cb 0.66 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.61 3g1h h ILE 135 CO 0.00 0.00 0.30 -0.61 0.00 0.00 0.00 178.15 177.84 3g1h h GLN 136 N -1.18 0.28 0.00 2.37 4.15 -1.28 0.43 115.11 119.88 3g1h h GLN 136 Ca -0.10 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.30 3g1h h GLN 136 Cb 0.79 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.41 3g1h h GLN 136 CO 0.17 0.18 0.00 0.41 -1.93 0.00 0.00 178.83 177.67 3g1h n GLY 137 N -1.36 -0.82 0.09 2.39 0.00 -1.24 -1.85 105.19 102.40 3g1h n GLY 137 Ca 0.21 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.38 3g1h n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h n ALA 138 N -1.70 2.50 -0.06 4.61 0.00 0.14 -4.82 120.51 121.17 3g1h n ALA 138 Ca -0.01 -0.52 -0.09 0.00 0.00 0.00 0.00 53.44 52.83 3g1h n ALA 138 Cb 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.40 3g1h n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g1h h ALA 139 N 0.42 -0.30 -0.61 0.00 0.00 -0.54 -0.65 119.26 117.58 3g1h h ALA 139 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3g1h h ALA 139 Cb 0.09 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3g1h h ALA 139 CO 0.00 -0.77 0.26 -0.44 0.00 0.00 0.00 179.25 178.30 3g1h h ASP 140 N -0.33 0.83 -0.80 0.00 3.32 -1.88 0.69 116.42 118.25 3g1h h ASP 140 Ca 0.13 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3g1h h ASP 140 Cb 0.55 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 3g1h h ASP 140 CO -0.45 0.76 0.33 -0.08 -1.72 0.00 0.00 179.24 178.08 3g1h h GLU 141 N 0.85 1.19 -0.43 3.56 4.81 -1.85 -0.04 114.58 122.68 3g1h h GLU 141 Ca 0.21 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 3g1h h GLU 141 Cb 0.17 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3g1h h GLU 141 CO -0.02 0.96 -0.11 0.82 -0.73 0.00 0.00 179.01 179.93 3g1h h ILE 142 N 1.17 1.26 -0.34 2.32 2.04 -0.67 0.10 117.51 123.38 3g1h h ILE 142 Ca 0.27 -1.16 -0.09 0.00 1.00 0.00 0.00 64.86 64.89 3g1h h ILE 142 Cb 0.21 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3g1h h ILE 142 CO -0.02 0.39 -0.12 0.00 0.00 0.00 0.00 178.15 178.40 3g1h h ALA 143 N 1.19 0.48 -0.36 1.87 0.00 -0.38 -1.16 119.26 120.90 3g1h h ALA 143 Ca 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3g1h h ALA 143 Cb 0.58 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3g1h h ALA 143 CO 0.04 0.36 0.10 0.00 0.00 0.00 0.00 179.25 179.75 3g1h h ARG 144 N 0.47 0.56 -0.65 0.00 3.08 -0.80 0.13 114.38 117.18 3g1h h ARG 144 Ca 0.08 -0.13 0.09 0.00 0.07 0.00 0.00 59.98 60.09 3g1h h ARG 144 Cb 0.64 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.55 3g1h h ARG 144 CO 0.04 0.59 0.31 1.98 -1.07 0.00 0.00 179.97 181.82 3g1h h MET 145 N 0.43 0.52 -0.19 0.04 4.05 -0.71 0.21 114.93 119.28 3g1h h MET 145 Ca 0.11 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 3g1h h MET 145 Cb 0.27 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 3g1h h MET 145 CO -0.00 0.34 0.12 0.78 0.23 0.00 0.00 176.91 178.38 3g1h h GLY 146 N 0.54 0.27 0.52 1.39 0.00 -0.67 0.02 103.07 105.13 3g1h h GLY 146 Ca 0.32 -0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.62 3g1h h GLY 146 CO -0.26 0.11 0.28 -2.08 0.00 0.00 0.00 176.54 174.59 3g1h h VAL 147 N 0.23 0.85 -0.79 4.60 2.07 0.14 0.31 116.25 123.67 3g1h h VAL 147 Ca 0.07 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3g1h h VAL 147 Cb 0.01 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 3g1h h VAL 147 CO -0.01 0.09 0.51 0.44 0.02 0.00 0.00 177.57 178.62 3g1h h ASP 148 N 0.51 0.92 0.25 0.57 3.32 -0.10 -0.86 116.42 121.04 3g1h h ASP 148 Ca 0.30 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3g1h h ASP 148 Cb 0.30 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3g1h h ASP 148 CO -0.25 0.69 0.00 0.18 -1.72 0.00 0.00 179.24 178.14 3g1h n LEU 149 N -4.51 0.00 0.00 1.55 4.77 -0.06 -4.85 117.00 113.90 3g1h n LEU 149 Ca 0.08 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3g1h n LEU 149 Cb 0.03 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3g1h n LEU 149 CO 0.36 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3g1h n GLY 150 N 0.29 0.53 3.77 -0.72 0.00 -0.33 -5.02 105.19 103.71 3g1h n GLY 150 Ca 0.11 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 3g1h n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1h s VAL 151 N -2.00 2.20 0.00 1.61 1.01 0.02 -4.94 120.40 118.29 3g1h s VAL 151 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.16 3g1h s VAL 151 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3g1h s VAL 151 CO 0.00 0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.41 3g1h n LYS 152 N -0.13 5.72 -4.65 2.72 5.02 -1.26 -4.62 118.16 120.95 3g1h n LYS 152 Ca 0.05 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.06 3g1h n LYS 152 Cb 0.42 -0.56 -0.17 0.00 -0.02 0.00 0.00 35.03 34.70 3g1h n LYS 152 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3g1h s ASN 153 N -1.12 2.37 0.13 4.39 0.01 -1.26 -0.50 114.94 118.97 3g1h s ASN 153 Ca 0.00 -0.42 0.04 0.00 -0.71 0.00 0.00 52.86 51.78 3g1h s ASN 153 Cb 0.00 -1.08 -0.04 0.00 0.41 0.00 0.00 41.25 40.54 3g1h s ASN 153 CO 0.00 0.05 -0.11 -0.31 -1.51 0.00 0.00 177.10 175.22 3g1h s TYR 154 N 0.76 1.24 -0.10 2.20 1.51 -0.71 -0.88 117.35 121.38 3g1h s TYR 154 Ca -0.12 -0.71 0.04 0.00 -1.01 0.00 0.00 57.07 55.28 3g1h s TYR 154 Cb -0.16 -0.64 -0.00 0.00 -0.11 0.00 0.00 41.96 41.05 3g1h s TYR 154 CO 0.02 0.07 -0.24 0.08 -1.11 0.00 0.00 175.55 174.38 3g1h s VAL 155 N -2.99 2.08 0.17 0.71 1.01 -0.57 -1.39 120.40 119.43 3g1h s VAL 155 Ca 0.13 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.14 3g1h s VAL 155 Cb 0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 3g1h s VAL 155 CO 0.01 0.56 -0.06 -0.83 0.00 0.00 0.00 175.10 174.78 3g1h s GLY 156 N 0.30 1.17 -0.27 4.51 0.00 -0.50 -2.51 107.32 110.03 3g1h s GLY 156 Ca -0.18 -1.56 -0.29 0.00 0.00 0.00 0.00 44.72 42.70 3g1h s GLY 156 CO 0.09 -1.59 1.24 2.56 0.00 0.00 0.00 173.10 175.40 3g1h s PRO 157 N -3.80 4.03 0.17 2.90 0.04 -1.20 -3.05 135.00 134.09 3g1h s PRO 157 Ca 0.20 1.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.47 3g1h s PRO 157 Cb 0.04 -3.82 0.05 0.00 0.04 0.00 0.00 34.50 30.81 3g1h s PRO 157 CO 0.02 -0.96 1.59 1.03 0.04 0.00 0.00 177.00 178.72 3g1h h SER 158 N 8.75 1.02 0.00 6.66 0.87 -1.30 -2.59 113.55 126.95 3g1h h SER 158 Ca -0.25 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 3g1h h SER 158 Cb 1.09 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3g1h h SER 158 CO 1.02 1.14 0.22 0.71 -0.53 0.00 0.00 176.83 179.39 3g1h h THR 159 N 0.89 0.00 -2.83 2.23 1.35 -1.78 -3.21 112.91 109.56 3g1h h THR 159 Ca 0.13 0.00 -0.61 0.00 -0.55 0.00 0.00 66.41 65.38 3g1h h THR 159 Cb 0.71 0.77 -0.41 0.00 -1.73 0.00 0.00 68.15 67.49 3g1h h THR 159 CO 0.05 0.00 -0.65 0.54 -0.25 0.00 0.00 175.52 175.21 3g1h n ARG 160 N -2.94 1.66 -0.24 4.72 1.74 -0.97 -4.97 116.66 115.65 3g1h n ARG 160 Ca -0.02 -4.29 0.05 0.00 -0.77 0.00 0.00 57.85 52.81 3g1h n ARG 160 Cb 0.27 -2.16 0.17 0.00 -1.02 0.00 0.00 32.46 29.72 3g1h n ARG 160 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3g1h h PRO 161 N 5.22 0.30 -0.36 5.56 0.11 -1.72 0.34 132.00 141.45 3g1h h PRO 161 Ca 0.17 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 3g1h h PRO 161 Cb 0.77 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.79 3g1h h PRO 161 CO 0.68 0.20 0.18 1.05 -0.21 0.00 0.00 178.00 179.90 3g1h h GLU 162 N 0.31 0.51 -0.43 1.05 9.09 -1.93 0.44 114.58 123.61 3g1h h GLU 162 Ca 0.40 -0.07 -0.05 0.00 0.05 0.00 0.00 59.36 59.69 3g1h h GLU 162 Cb 0.64 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 27.63 3g1h h GLU 162 CO -0.46 0.44 0.07 0.00 0.05 0.00 0.00 179.01 179.11 3g1h h ARG 163 N 0.44 0.72 -0.86 1.06 2.47 -1.72 0.18 114.38 116.68 3g1h h ARG 163 Ca 0.12 -0.19 0.03 0.00 -1.26 0.00 0.00 59.98 58.68 3g1h h ARG 163 Cb 0.09 -0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.28 3g1h h ARG 163 CO -0.02 0.75 0.56 1.25 0.56 0.00 0.00 179.97 183.08 3g1h h LEU 164 N 0.58 0.93 -0.38 3.04 5.85 0.03 0.69 115.31 126.05 3g1h h LEU 164 Ca 0.13 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 3g1h h LEU 164 Cb 0.38 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3g1h h LEU 164 CO 0.01 0.64 -0.24 -1.28 -0.34 0.00 0.00 178.44 177.23 3g1h h SER 165 N 1.08 0.87 -0.83 1.25 0.87 0.53 -2.77 113.55 114.56 3g1h h SER 165 Ca 0.34 -0.43 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3g1h h SER 165 Cb 0.00 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.68 3g1h h SER 165 CO -0.10 1.11 0.51 -0.09 -0.53 0.00 0.00 176.83 177.74 3g1h h ARG 166 N 0.64 1.11 -0.16 2.24 9.65 0.25 -2.85 114.38 125.27 3g1h h ARG 166 Ca 0.08 -0.09 0.04 0.00 -1.10 0.00 0.00 59.98 58.91 3g1h h ARG 166 Cb 0.81 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 29.11 3g1h h ARG 166 CO 0.07 0.77 -0.09 -0.07 2.80 0.00 0.00 179.97 183.45 3g1h h LEU 167 N 1.13 -0.29 -0.60 3.80 3.38 -0.67 -2.61 115.31 119.45 3g1h h LEU 167 Ca 0.30 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.44 3g1h h LEU 167 Cb -0.07 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 3g1h h LEU 167 CO -0.06 -0.12 0.16 -0.09 0.09 0.00 0.00 178.44 178.43 3g1h h ARG 168 N -0.08 0.30 -0.60 1.13 9.65 -1.26 -0.41 114.38 123.11 3g1h h ARG 168 Ca 0.09 -0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.04 3g1h h ARG 168 Cb 0.21 -0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 28.66 3g1h h ARG 168 CO -0.21 0.20 0.25 0.93 2.80 0.00 0.00 179.97 183.94 3g1h h GLU 169 N 0.31 0.44 -0.27 0.20 5.08 -1.35 0.35 114.58 119.33 3g1h h GLU 169 Ca 0.31 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 3g1h h GLU 169 Cb 0.44 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3g1h h GLU 169 CO -0.37 0.29 -0.12 0.82 -1.00 0.00 0.00 179.01 178.64 3g1h h ILE 170 N 0.45 1.29 0.00 3.13 2.04 -1.08 -3.28 117.51 120.07 3g1h h ILE 170 Ca 0.30 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.97 3g1h h ILE 170 Cb 0.33 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3g1h h ILE 170 CO -0.27 0.38 -0.44 0.16 0.00 0.00 0.00 178.15 177.97 3g1h h ILE 171 N 0.31 0.00 0.00 -0.67 3.07 -0.87 -3.47 117.51 115.88 3g1h h ILE 171 Ca 0.06 -0.69 0.00 0.00 1.55 0.00 0.00 64.86 65.78 3g1h h ILE 171 Cb 0.62 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.61 3g1h h ILE 171 CO 0.04 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.75 3g1h n GLY 172 N 1.25 -0.53 0.09 0.16 0.00 0.12 -4.27 105.19 102.01 3g1h n GLY 172 Ca 0.03 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 3g1h n GLY 172 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3g1h h GLN 173 N 0.00 0.10 -0.69 1.61 1.08 -1.93 -3.36 115.11 111.92 3g1h h GLN 173 Ca 0.00 -0.17 -0.05 0.00 -1.45 0.00 0.00 58.65 56.98 3g1h h GLN 173 Cb 0.00 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 3g1h h GLN 173 CO 0.00 0.91 0.24 0.38 -0.95 0.00 0.00 178.83 179.40 3g1h h ASP 174 N 0.03 0.98 -4.27 1.46 2.03 -1.97 -3.44 116.42 111.23 3g1h h ASP 174 Ca -0.18 -0.16 -0.52 0.00 -0.73 0.00 0.00 57.03 55.44 3g1h h ASP 174 Cb 1.93 -0.25 0.18 0.00 -0.83 0.00 0.00 39.33 40.36 3g1h h ASP 174 CO 0.13 0.90 0.24 -0.44 -1.03 0.00 0.00 179.24 179.04 3g1h s SER 175 N -6.45 3.21 0.15 4.15 0.01 -1.26 -5.03 113.70 108.47 3g1h s SER 175 Ca -0.11 2.11 0.03 0.00 1.31 0.00 0.00 55.95 59.28 3g1h s SER 175 Cb 0.16 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 3g1h s SER 175 CO 0.83 -2.91 0.27 0.12 0.41 0.00 0.00 173.24 171.96 3g1h s PHE 176 N -2.70 3.46 -0.19 2.43 5.36 0.34 -5.00 117.98 121.68 3g1h s PHE 176 Ca 0.66 0.11 -0.08 0.00 -0.96 0.00 0.00 56.93 56.66 3g1h s PHE 176 Cb -0.22 -1.66 0.08 0.00 -0.34 0.00 0.00 43.02 40.88 3g1h s PHE 176 CO 0.58 0.52 0.42 -1.17 -1.46 0.00 0.00 175.22 174.10 3g1h s LEU 177 N -3.19 -0.45 0.07 6.12 2.96 -1.26 -1.73 118.68 121.19 3g1h s LEU 177 Ca 0.34 0.95 0.07 0.00 -0.22 0.00 0.00 54.13 55.28 3g1h s LEU 177 Cb -0.11 1.34 -0.04 0.00 0.50 0.00 0.00 46.19 47.89 3g1h s LEU 177 CO 0.28 -0.22 -0.16 0.27 -1.32 0.00 0.00 176.35 175.20 3g1h s ILE 178 N 2.18 2.97 -0.09 6.68 -4.36 -0.49 -0.16 121.20 127.93 3g1h s ILE 178 Ca -0.04 -1.25 -0.01 0.00 -0.26 0.00 0.00 60.65 59.09 3g1h s ILE 178 Cb -0.11 -2.31 0.03 0.00 1.25 0.00 0.00 42.46 41.33 3g1h s ILE 178 CO -0.13 0.25 -0.02 -0.55 0.24 0.00 0.00 174.94 174.73 3g1h s SER 179 N -1.74 1.83 0.59 4.36 0.15 -0.92 -1.41 113.70 116.57 3g1h s SER 179 Ca 0.17 -0.19 0.01 0.00 0.70 0.00 0.00 55.95 56.64 3g1h s SER 179 Cb -0.11 -0.57 0.06 0.00 -1.71 0.00 0.00 66.02 63.69 3g1h s SER 179 CO 0.08 -0.18 0.82 -2.16 1.20 0.00 0.00 173.24 173.01 3g1h s PRO 180 N 1.89 2.33 0.00 5.44 0.04 -1.17 -1.19 135.00 142.34 3g1h s PRO 180 Ca 0.05 -0.91 0.00 0.00 0.04 0.00 0.00 61.00 60.17 3g1h s PRO 180 Cb -0.13 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.95 3g1h s PRO 180 CO -0.06 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.50 3g1h n GLY 181 N -2.44 0.52 3.74 0.56 0.00 -1.26 -0.91 105.19 105.39 3g1h n GLY 181 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3g1h n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1h s VAL 182 N -2.00 4.36 0.00 1.61 1.01 -1.26 -1.09 120.40 123.02 3g1h s VAL 182 Ca 0.00 2.07 0.00 0.00 0.00 0.00 0.00 61.98 64.05 3g1h s VAL 182 Cb 0.00 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.06 3g1h s VAL 182 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3g1h n GLY 183 N 1.99 1.32 0.00 4.51 0.00 -0.53 -4.41 105.19 108.08 3g1h n GLY 183 Ca 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3g1h n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h n ALA 184 N 4.42 0.60 0.16 4.61 0.00 -1.26 0.19 120.51 129.23 3g1h n ALA 184 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3g1h n ALA 184 Cb 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 19.45 18.92 3g1h n ALA 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3g1h n GLN 185 N -1.24 0.72 -0.65 0.00 6.02 -1.24 -4.99 117.38 116.00 3g1h n GLN 185 Ca 0.00 -1.14 0.00 0.00 -0.01 0.00 0.00 57.00 55.85 3g1h n GLN 185 Cb 0.19 -1.13 0.00 0.00 1.02 0.00 0.00 30.24 30.32 3g1h n GLN 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g1h n GLY 186 N 0.28 0.89 3.62 1.08 0.00 0.13 -4.88 105.19 106.30 3g1h n GLY 186 Ca 0.05 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 3g1h n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g1h s GLY 187 N -2.48 1.92 0.12 -0.02 0.00 -0.25 -4.82 107.32 101.79 3g1h s GLY 187 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 43.69 3g1h s GLY 187 CO 0.00 0.96 0.97 -0.35 0.00 0.00 0.00 173.10 174.68 3g1h s ASP 188 N 1.48 7.49 0.00 1.64 2.15 -1.26 -1.45 116.67 126.72 3g1h s ASP 188 Ca 0.16 1.81 0.00 0.00 0.43 0.00 0.00 52.55 54.96 3g1h s ASP 188 Cb -0.15 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 3g1h s ASP 188 CO 0.09 -0.07 0.79 -2.65 -0.17 0.00 0.00 175.17 173.16 3g1h n PRO 189 N 2.76 0.00 -0.31 4.34 -0.02 -1.26 -2.67 135.00 137.84 3g1h n PRO 189 Ca 0.02 0.36 0.16 0.00 -2.02 0.00 0.00 63.50 62.02 3g1h n PRO 189 Cb 0.49 -1.29 0.34 0.00 -0.02 0.00 0.00 33.50 33.01 3g1h n PRO 189 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3g1h h GLY 190 N 0.00 1.55 0.77 -1.23 0.00 -1.95 0.23 103.07 102.44 3g1h h GLY 190 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 47.33 47.35 3g1h h GLY 190 CO 0.00 -0.40 0.53 0.83 0.00 0.00 0.00 176.54 177.50 3g1h h GLU 191 N 0.24 0.69 -0.03 4.80 4.39 -1.98 -2.54 114.58 120.16 3g1h h GLU 191 Ca 0.60 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 60.21 3g1h h GLU 191 Cb 1.26 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3g1h h GLU 191 CO -0.65 0.46 -0.16 1.15 -1.16 0.00 0.00 179.01 178.65 3g1h h THR 192 N 0.71 1.50 0.00 1.13 2.02 -0.34 -3.24 112.91 114.69 3g1h h THR 192 Ca 0.38 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.86 3g1h h THR 192 Cb 0.52 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 3g1h h THR 192 CO -0.15 0.46 0.00 0.18 0.37 0.00 0.00 175.52 176.38 3g1h n LEU 193 N -4.60 0.00 0.13 2.58 4.77 -0.85 -0.48 117.00 118.56 3g1h n LEU 193 Ca -0.09 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.91 3g1h n LEU 193 Cb 0.43 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 3g1h n LEU 193 CO 0.38 0.00 0.42 0.03 -1.33 0.00 0.00 177.39 176.88 3g1h h ARG 194 N 0.00 0.00 0.00 3.23 3.08 -1.55 -3.39 114.38 115.75 3g1h h ARG 194 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3g1h h ARG 194 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3g1h h ARG 194 CO 0.00 0.52 -0.90 1.19 -1.07 0.00 0.00 179.97 179.71 3g1h n PHE 195 N -3.22 0.00 -3.13 3.04 3.01 -0.10 -5.06 117.46 112.01 3g1h n PHE 195 Ca 0.01 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.15 3g1h n PHE 195 Cb 0.75 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.16 3g1h n PHE 195 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g1h s ALA 196 N -1.90 3.32 0.00 4.37 0.00 0.37 -4.89 121.76 123.03 3g1h s ALA 196 Ca 0.00 0.05 -0.19 0.00 0.00 0.00 0.00 51.96 51.82 3g1h s ALA 196 Cb 0.00 -2.78 -0.27 0.00 0.00 0.00 0.00 23.12 20.07 3g1h s ALA 196 CO 0.00 0.33 1.05 -0.44 0.00 0.00 0.00 175.76 176.70 3g1h h ASP 197 N 2.26 0.61 -4.62 0.00 3.32 -0.87 -3.38 116.42 113.73 3g1h h ASP 197 Ca -0.48 -0.83 -0.18 0.00 0.02 0.00 0.00 57.03 55.57 3g1h h ASP 197 Cb 1.17 -0.19 -0.23 0.00 0.22 0.00 0.00 39.33 40.31 3g1h h ASP 197 CO 0.65 1.37 -0.64 0.00 -1.72 0.00 0.00 179.24 178.90 3g1h s ALA 198 N -2.95 -0.04 0.11 3.45 0.00 -1.16 -4.75 121.76 116.41 3g1h s ALA 198 Ca -0.12 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.57 3g1h s ALA 198 Cb 0.03 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3g1h s ALA 198 CO 0.85 -0.13 0.23 0.96 0.00 0.00 0.00 175.76 177.67 3g1h s ILE 199 N -1.02 5.21 -0.15 0.00 -4.36 0.38 -2.17 121.20 119.10 3g1h s ILE 199 Ca -0.11 -0.63 -0.06 0.00 -0.26 0.00 0.00 60.65 59.59 3g1h s ILE 199 Cb -0.07 -3.62 -0.04 0.00 1.25 0.00 0.00 42.46 39.99 3g1h s ILE 199 CO -0.00 0.00 0.07 -0.63 0.24 0.00 0.00 174.94 174.62 3g1h s ILE 200 N -1.63 4.85 -0.04 8.37 1.01 -0.33 -0.21 121.20 133.21 3g1h s ILE 200 Ca 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.95 3g1h s ILE 200 Cb -0.12 -3.14 0.03 0.00 0.01 0.00 0.00 42.46 39.24 3g1h s ILE 200 CO 0.27 0.52 0.04 -0.69 0.00 0.00 0.00 174.94 175.08 3g1h s VAL 201 N -0.15 -0.03 0.00 2.92 1.01 -0.47 -4.08 120.40 119.60 3g1h s VAL 201 Ca 0.07 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.37 3g1h s VAL 201 Cb -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.08 3g1h s VAL 201 CO 0.01 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3g1h n GLY 202 N 4.90 0.88 0.29 4.51 0.00 -1.26 -1.19 105.19 113.32 3g1h n GLY 202 Ca -0.12 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.18 3g1h n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g1h n ARG 203 N 0.00 -0.05 0.15 1.61 1.74 -1.26 0.11 116.66 118.96 3g1h n ARG 203 Ca 0.00 1.23 0.09 0.00 -0.77 0.00 0.00 57.85 58.40 3g1h n ARG 203 Cb 0.00 -2.20 0.47 0.00 -1.02 0.00 0.00 32.46 29.71 3g1h n ARG 203 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3g1h n SER 204 N -5.03 0.45 0.00 0.55 2.88 -1.26 -1.73 113.62 109.48 3g1h n SER 204 Ca 0.33 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 3g1h n SER 204 Cb 1.12 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 3g1h n SER 204 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3g1h n ILE 205 N -2.12 0.00 1.11 2.46 5.41 0.31 -4.47 119.36 122.05 3g1h n ILE 205 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.83 3g1h n ILE 205 Cb 0.12 -0.64 0.31 0.00 -0.71 0.00 0.00 39.64 38.71 3g1h n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g1h n TYR 206 N -2.19 0.30 0.04 1.39 0.18 -0.73 -3.48 117.16 112.66 3g1h n TYR 206 Ca 0.00 -0.15 0.02 0.00 1.88 0.00 0.00 57.90 59.65 3g1h n TYR 206 Cb 0.45 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.39 3g1h n TYR 206 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3g1h n LEU 207 N 0.39 0.04 -4.76 -3.48 4.77 -0.71 -4.98 117.00 108.28 3g1h n LEU 207 Ca 0.15 -0.14 -0.39 0.00 -0.03 0.00 0.00 56.01 55.60 3g1h n LEU 207 Cb 0.32 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.44 3g1h n LEU 207 CO 0.11 0.01 1.02 0.00 -1.33 0.00 0.00 177.39 177.20 3g1h s ALA 208 N -1.99 2.98 0.41 -1.18 0.00 -1.23 -4.89 121.76 115.87 3g1h s ALA 208 Ca -0.01 1.38 0.07 0.00 0.00 0.00 0.00 51.96 53.41 3g1h s ALA 208 Cb 0.02 -3.58 0.86 0.00 0.00 0.00 0.00 23.12 20.43 3g1h s ALA 208 CO 0.14 -1.30 2.05 -0.44 0.00 0.00 0.00 175.76 176.21 3g1h h ASP 209 N 1.79 0.45 -2.76 0.00 3.45 -1.96 -3.24 116.42 114.15 3g1h h ASP 209 Ca -0.51 -0.02 -0.61 0.00 0.43 0.00 0.00 57.03 56.33 3g1h h ASP 209 Cb 1.29 -0.11 -0.40 0.00 -0.56 0.00 0.00 39.33 39.54 3g1h h ASP 209 CO 0.59 0.34 -0.74 -3.20 -1.57 0.00 0.00 179.24 174.65 3g1h n ASN 210 N -4.46 1.57 -0.34 6.45 4.05 -1.26 -4.98 115.26 116.28 3g1h n ASN 210 Ca 0.03 -2.87 0.23 0.00 0.45 0.00 0.00 54.58 52.42 3g1h n ASN 210 Cb 0.07 -0.67 0.47 0.00 1.23 0.00 0.00 39.78 40.88 3g1h n ASN 210 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3g1h h PRO 211 N 5.44 0.36 -0.64 1.20 0.11 -1.73 0.98 132.00 137.73 3g1h h PRO 211 Ca 0.20 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.29 3g1h h PRO 211 Cb 0.82 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.81 3g1h h PRO 211 CO 0.58 0.24 0.42 0.00 -0.21 0.00 0.00 178.00 179.02 3g1h h ALA 212 N 1.78 0.81 -0.32 -0.75 0.00 -1.87 -1.87 119.26 117.04 3g1h h ALA 212 Ca 0.71 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.47 3g1h h ALA 212 Cb 1.62 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3g1h h ALA 212 CO -0.53 0.24 -0.18 0.00 0.00 0.00 0.00 179.25 178.77 3g1h h ALA 213 N 1.23 0.45 -0.57 0.00 0.00 -1.18 -0.91 119.26 118.27 3g1h h ALA 213 Ca 0.23 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.90 3g1h h ALA 213 Cb -0.09 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.50 3g1h h ALA 213 CO -0.05 0.38 0.04 0.00 0.00 0.00 0.00 179.25 179.62 3g1h h ALA 214 N 0.76 0.60 -0.11 0.00 0.00 -0.90 0.75 119.26 120.35 3g1h h ALA 214 Ca 0.07 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3g1h h ALA 214 Cb 0.72 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3g1h h ALA 214 CO 0.05 -0.37 -0.07 0.00 0.00 0.00 0.00 179.25 178.87 3g1h h ALA 215 N 1.50 0.15 -0.89 0.00 0.00 -1.27 -2.43 119.26 116.32 3g1h h ALA 215 Ca 0.30 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3g1h h ALA 215 Cb 0.46 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 3g1h h ALA 215 CO -0.45 -0.05 0.58 0.00 0.00 0.00 0.00 179.25 179.33 3g1h h ALA 216 N 0.62 1.65 0.02 0.00 0.00 -0.23 -0.95 119.26 120.37 3g1h h ALA 216 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3g1h h ALA 216 Cb 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3g1h h ALA 216 CO 0.02 0.16 -0.01 0.78 0.00 0.00 0.00 179.25 180.20 3g1h h GLY 217 N 0.87 -0.02 0.60 0.00 0.00 0.58 -2.52 103.07 102.58 3g1h h GLY 217 Ca 0.42 0.01 0.10 0.00 0.00 0.00 0.00 47.33 47.86 3g1h h GLY 217 CO -0.18 -0.01 0.62 -2.22 0.00 0.00 0.00 176.54 174.75 3g1h h ILE 218 N -0.31 0.96 -0.03 2.60 2.04 -0.87 -1.10 117.51 120.79 3g1h h ILE 218 Ca -0.00 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 3g1h h ILE 218 Cb 0.30 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 3g1h h ILE 218 CO 0.00 0.18 -0.32 0.40 0.00 0.00 0.00 178.15 178.42 3g1h h ILE 219 N 0.98 1.24 0.26 -0.67 2.04 -1.07 -3.09 117.51 117.20 3g1h h ILE 219 Ca 0.46 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 3g1h h ILE 219 Cb 0.42 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3g1h h ILE 219 CO -0.22 0.33 -0.13 -0.33 0.00 0.00 0.00 178.15 177.81 3g1h h GLU 220 N 0.05 -0.34 -0.39 2.37 4.39 -0.76 0.57 114.58 120.47 3g1h h GLU 220 Ca 0.01 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.84 3g1h h GLU 220 Cb 0.59 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 3g1h h GLU 220 CO 0.04 0.01 0.51 0.66 -1.16 0.00 0.00 179.01 179.07 3g1h h SER 221 N -0.85 0.00 0.00 1.42 4.64 -1.49 -0.03 113.55 117.24 3g1h h SER 221 Ca -0.04 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.00 3g1h h SER 221 Cb 0.51 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.55 3g1h h SER 221 CO 0.06 0.00 -2.18 -0.38 -0.87 0.00 0.00 176.83 173.46 3g1h n ILE 222 N -3.50 1.08 -0.35 0.95 5.41 -1.17 -4.57 119.36 117.21 3g1h n ILE 222 Ca 0.07 -0.72 0.29 0.00 1.00 0.00 0.00 62.75 63.40 3g1h n ILE 222 Cb 0.67 -0.46 0.50 0.00 -0.71 0.00 0.00 39.64 39.64 3g1h n ILE 222 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3g1h n LYS 223 N -2.60 -0.03 -0.11 0.38 3.00 0.20 -0.40 118.16 118.60 3g1h n LYS 223 Ca -0.26 0.91 0.00 0.00 -0.00 0.00 0.00 58.31 58.96 3g1h n LYS 223 Cb 1.01 -1.80 0.00 0.00 0.00 0.00 0.00 35.03 34.24 3g1h n LYS 223 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3g1h n ASP 224 N -4.14 2.65 -0.80 3.14 5.68 -1.26 -5.08 116.55 116.74 3g1h n ASP 224 Ca 0.29 -1.60 0.13 0.00 -0.50 0.00 0.00 54.79 53.11 3g1h n ASP 224 Cb 1.15 -0.50 0.24 0.00 -1.14 0.00 0.00 41.12 40.88 3g1h n ASP 224 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76