#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1s h VAL 6 N 0.00 0.85 -0.21 5.15 2.07 -2.00 -2.41 116.25 119.71 3g1s h VAL 6 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3g1s h VAL 6 Cb 0.00 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3g1s h VAL 6 CO 0.00 0.01 0.00 -0.90 0.02 0.00 0.00 177.57 176.70 3g1s n ASP 7 N -4.45 1.50 -4.55 0.57 5.75 -1.26 -4.85 116.55 109.26 3g1s n ASP 7 Ca 0.05 -1.80 -0.28 0.00 -0.01 0.00 0.00 54.79 52.76 3g1s n ASP 7 Cb 0.39 -0.13 -0.10 0.00 -1.03 0.00 0.00 41.12 40.25 3g1s n ASP 7 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3g1s s VAL 8 N -1.73 3.13 0.64 2.12 -7.23 -0.91 -5.10 120.40 111.32 3g1s s VAL 8 Ca 0.27 -1.57 -0.18 0.00 -1.81 0.00 0.00 61.98 58.69 3g1s s VAL 8 Cb 0.14 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 3g1s s VAL 8 CO 0.21 -0.03 1.28 0.00 -0.31 0.00 0.00 175.10 176.24 3g1s s MET 9 N -2.58 2.61 -0.28 4.82 0.23 -1.26 -4.86 119.30 117.98 3g1s s MET 9 Ca 0.23 2.01 -0.08 0.00 -1.03 0.00 0.00 55.69 56.81 3g1s s MET 9 Cb -0.09 -1.86 -0.02 0.00 -1.53 0.00 0.00 34.83 31.33 3g1s s MET 9 CO 0.14 -1.54 0.11 0.34 -2.03 0.00 0.00 175.02 172.04 3g1s s ASP 10 N -1.45 5.35 -0.33 -1.18 2.15 -1.26 -5.02 116.67 114.93 3g1s s ASP 10 Ca 0.81 -0.38 -0.12 0.00 0.43 0.00 0.00 52.55 53.29 3g1s s ASP 10 Cb -0.36 -1.96 -0.02 0.00 -0.30 0.00 0.00 42.92 40.28 3g1s s ASP 10 CO 0.39 -0.12 0.22 -0.69 -0.17 0.00 0.00 175.17 174.80 3g1s s VAL 11 N 1.61 5.13 0.20 1.11 1.01 -1.26 -5.01 120.40 123.19 3g1s s VAL 11 Ca 0.05 -0.25 -0.33 0.00 0.00 0.00 0.00 61.98 61.46 3g1s s VAL 11 Cb -0.16 -3.62 -0.13 0.00 0.00 0.00 0.00 36.38 32.46 3g1s s VAL 11 CO 0.05 0.02 1.53 0.80 0.00 0.00 0.00 175.10 177.50 3g1s n MET 12 N 5.08 2.19 -1.00 2.72 1.56 -1.26 -1.02 117.12 125.38 3g1s n MET 12 Ca -0.13 0.78 -0.00 0.00 -0.27 0.00 0.00 57.70 58.08 3g1s n MET 12 Cb 0.50 -2.52 -0.00 0.00 2.15 0.00 0.00 33.22 33.34 3g1s n MET 12 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3g1s n ASN 13 N 2.92 -5.81 -2.32 6.12 5.03 -1.26 -2.60 115.26 117.34 3g1s n ASN 13 Ca 0.14 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.45 3g1s n ASN 13 Cb 0.31 -3.32 -0.01 0.00 -1.02 0.00 0.00 39.78 35.74 3g1s n ASN 13 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3g1s n ARG 14 N 0.74 -1.97 -4.13 3.52 1.74 -0.19 -4.94 116.66 111.42 3g1s n ARG 14 Ca -0.00 0.75 -0.29 0.00 -0.77 0.00 0.00 57.85 57.54 3g1s n ARG 14 Cb 0.47 -5.33 -0.17 0.00 -1.02 0.00 0.00 32.46 26.41 3g1s n ARG 14 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3g1s s LEU 15 N -5.55 1.63 -0.17 0.55 2.96 -1.07 -1.38 118.68 115.64 3g1s s LEU 15 Ca 0.00 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.43 3g1s s LEU 15 Cb 0.00 -1.10 -0.03 0.00 0.50 0.00 0.00 46.19 45.56 3g1s s LEU 15 CO 0.00 -0.04 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.33 3g1s s ILE 16 N 1.37 3.91 -0.18 6.68 1.01 0.39 -4.62 121.20 129.76 3g1s s ILE 16 Ca 0.01 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 60.08 3g1s s ILE 16 Cb -0.13 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 3g1s s ILE 16 CO -0.08 0.47 0.78 -0.22 0.00 0.00 0.00 174.94 175.89 3g1s s LEU 17 N 0.60 4.16 -0.67 2.97 2.96 -0.92 -0.94 118.68 126.84 3g1s s LEU 17 Ca -0.02 1.08 -0.20 0.00 -0.22 0.00 0.00 54.13 54.77 3g1s s LEU 17 Cb -0.14 -3.15 0.10 0.00 0.50 0.00 0.00 46.19 43.50 3g1s s LEU 17 CO 0.02 -0.37 0.86 0.00 -1.32 0.00 0.00 176.35 175.54 3g1s s ALA 18 N 2.13 3.32 -1.03 5.97 0.00 0.20 -0.39 121.76 131.96 3g1s s ALA 18 Ca 0.36 -2.20 -0.19 0.00 0.00 0.00 0.00 51.96 49.93 3g1s s ALA 18 Cb -0.16 -3.72 0.11 0.00 0.00 0.00 0.00 23.12 19.36 3g1s s ALA 18 CO 0.12 -2.59 1.31 1.41 0.00 0.00 0.00 175.76 176.01 3g1s s MET 19 N 3.10 3.72 0.00 0.00 1.75 -0.52 -4.41 119.30 122.94 3g1s s MET 19 Ca 0.18 -1.78 0.28 0.00 -1.25 0.00 0.00 55.69 53.12 3g1s s MET 19 Cb -0.19 -5.10 1.02 0.00 2.84 0.00 0.00 34.83 33.41 3g1s s MET 19 CO 0.05 -1.91 1.73 -0.25 -0.65 0.00 0.00 175.02 173.98 3g1s n ASP 20 N 7.08 1.36 -4.77 1.11 8.00 -1.26 -4.50 116.55 123.56 3g1s n ASP 20 Ca 0.30 -1.36 -0.41 0.00 0.71 0.00 0.00 54.79 54.04 3g1s n ASP 20 Cb 0.48 0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 3g1s n ASP 20 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3g1s s LEU 21 N -2.10 4.40 0.03 0.64 1.43 -1.26 -4.74 118.68 117.09 3g1s s LEU 21 Ca 0.36 2.76 0.24 0.00 -1.03 0.00 0.00 54.13 56.45 3g1s s LEU 21 Cb 0.21 -3.65 0.35 0.00 0.03 0.00 0.00 46.19 43.13 3g1s s LEU 21 CO 0.37 -0.62 1.30 0.23 0.23 0.00 0.00 176.35 177.87 3g1s n MET 22 N 0.89 0.10 -3.48 1.70 2.81 -1.26 -4.41 117.12 113.48 3g1s n MET 22 Ca 0.01 0.02 -0.38 0.00 -1.81 0.00 0.00 57.70 55.54 3g1s n MET 22 Cb 0.41 -1.55 -0.08 0.00 -0.71 0.00 0.00 33.22 31.29 3g1s n MET 22 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3g1s s ASN 23 N -3.39 6.34 0.15 7.83 2.47 -1.26 -4.66 114.94 122.43 3g1s s ASN 23 Ca 0.09 0.39 -0.18 0.00 0.42 0.00 0.00 52.86 53.58 3g1s s ASN 23 Cb 0.16 -2.19 0.06 0.00 -1.45 0.00 0.00 41.25 37.83 3g1s s ASN 23 CO 0.73 -0.03 1.68 -0.09 -3.72 0.00 0.00 177.10 175.68 3g1s h ARG 24 N 7.38 0.02 -0.10 0.43 2.43 -1.93 0.15 114.38 122.76 3g1s h ARG 24 Ca -0.37 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.83 3g1s h ARG 24 Cb 1.16 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 3g1s h ARG 24 CO 0.70 0.01 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.64 3g1s h ASP 25 N 0.02 -0.28 -0.41 -3.80 3.45 -1.99 -0.31 116.42 113.09 3g1s h ASP 25 Ca 0.16 0.06 -0.02 0.00 0.43 0.00 0.00 57.03 57.66 3g1s h ASP 25 Cb 0.25 0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.14 3g1s h ASP 25 CO -0.33 -0.13 0.19 0.44 -1.57 0.00 0.00 179.24 177.84 3g1s h ASP 26 N -0.11 0.55 -0.27 6.45 3.45 -1.89 0.66 116.42 125.26 3g1s h ASP 26 Ca 0.07 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.39 3g1s h ASP 26 Cb 0.21 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 3g1s h ASP 26 CO -0.16 0.53 0.17 0.00 -1.57 0.00 0.00 179.24 178.21 3g1s h ALA 27 N 1.04 0.34 -0.48 3.45 0.00 -0.46 0.73 119.26 123.88 3g1s h ALA 27 Ca 0.14 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3g1s h ALA 27 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3g1s h ALA 27 CO -0.02 -0.17 -0.21 -0.07 0.00 0.00 0.00 179.25 178.78 3g1s h LEU 28 N 0.36 0.99 0.41 0.00 3.38 -0.97 -1.62 115.31 117.87 3g1s h LEU 28 Ca 0.10 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3g1s h LEU 28 Cb -0.02 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.46 3g1s h LEU 28 CO -0.02 1.16 -0.20 -0.09 0.09 0.00 0.00 178.44 179.38 3g1s h ARG 29 N 0.84 -0.53 -0.86 1.13 2.43 -0.59 -0.31 114.38 116.49 3g1s h ARG 29 Ca 0.11 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3g1s h ARG 29 Cb 0.78 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 3g1s h ARG 29 CO 0.06 -0.26 0.46 0.28 -1.51 0.00 0.00 179.97 179.00 3g1s h VAL 30 N -0.74 1.25 -0.75 0.20 2.07 -0.91 -1.68 116.25 115.70 3g1s h VAL 30 Ca -0.06 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 3g1s h VAL 30 Cb 0.52 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3g1s h VAL 30 CO 0.09 0.29 0.28 0.74 0.02 0.00 0.00 177.57 178.99 3g1s h THR 31 N 1.21 1.26 -0.51 2.57 2.02 -1.25 -2.13 112.91 116.07 3g1s h THR 31 Ca 0.30 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 3g1s h THR 31 Cb 0.05 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 3g1s h THR 31 CO -0.05 0.34 0.24 1.23 0.37 0.00 0.00 175.52 177.66 3g1s h GLY 32 N 1.13 0.76 2.00 2.16 0.00 -0.30 -0.09 103.07 108.73 3g1s h GLY 32 Ca 0.25 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 3g1s h GLY 32 CO -0.02 0.33 -0.25 0.83 0.00 0.00 0.00 176.54 177.43 3g1s h GLU 33 N 0.71 0.00 -0.27 4.80 5.08 -0.65 -2.98 114.58 121.27 3g1s h GLU 33 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3g1s h GLU 33 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3g1s h GLU 33 CO -0.02 0.25 0.00 1.33 -1.00 0.00 0.00 179.01 179.57 3g1s n VAL 34 N -4.15 1.30 0.10 3.13 0.24 -0.86 -4.49 118.33 113.60 3g1s n VAL 34 Ca -0.02 -1.23 0.20 0.00 -2.04 0.00 0.00 64.34 61.24 3g1s n VAL 34 Cb 0.31 0.31 0.76 0.00 -1.47 0.00 0.00 33.84 33.75 3g1s n VAL 34 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 3g1s h ARG 35 N 1.64 0.00 0.00 7.34 0.11 -0.87 -0.98 114.38 121.62 3g1s h ARG 35 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3g1s h ARG 35 Cb 0.86 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.94 3g1s h ARG 35 CO 0.05 0.00 0.00 -0.85 0.10 0.00 0.00 179.97 179.27 3g1s n GLU 36 N -3.87 0.22 0.00 0.08 0.28 -1.26 -3.52 120.64 112.57 3g1s n GLU 36 Ca 0.06 0.26 0.11 0.00 -0.16 0.00 0.00 57.16 57.43 3g1s n GLU 36 Cb 0.55 -1.80 -0.00 0.00 1.43 0.00 0.00 31.44 31.61 3g1s n GLU 36 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3g1s n TYR 37 N -2.19 0.00 -3.77 -1.84 4.02 -0.37 -5.00 117.16 108.01 3g1s n TYR 37 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.82 3g1s n TYR 37 Cb 0.36 -0.01 -0.07 0.00 -0.02 0.00 0.00 39.34 39.60 3g1s n TYR 37 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3g1s s ILE 38 N -2.56 0.09 0.00 -0.72 1.01 -1.23 -4.70 121.20 113.08 3g1s s ILE 38 Ca 0.17 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.10 3g1s s ILE 38 Cb 0.18 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.70 3g1s s ILE 38 CO 0.62 -0.40 0.63 -0.90 0.00 0.00 0.00 174.94 174.89 3g1s n ASP 39 N 0.56 0.97 -3.83 3.58 5.75 -1.26 -4.85 116.55 117.46 3g1s n ASP 39 Ca -0.18 -1.40 -0.21 0.00 -0.01 0.00 0.00 54.79 52.99 3g1s n ASP 39 Cb 0.60 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.52 3g1s n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3g1s s THR 40 N -0.40 0.43 -0.03 2.12 2.01 -1.26 -0.01 115.64 118.50 3g1s s THR 40 Ca 0.00 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.06 3g1s s THR 40 Cb 0.00 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.98 3g1s s THR 40 CO 0.00 0.24 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.31 3g1s s VAL 41 N 1.46 1.39 -0.23 3.82 1.01 0.10 -2.16 120.40 125.79 3g1s s VAL 41 Ca -0.03 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 3g1s s VAL 41 Cb -0.13 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3g1s s VAL 41 CO -0.03 0.40 0.11 -0.75 0.00 0.00 0.00 175.10 174.83 3g1s s LYS 42 N -0.07 3.94 -0.05 2.72 2.20 0.48 -1.07 119.74 127.88 3g1s s LYS 42 Ca -0.01 -0.34 0.06 0.00 -0.36 0.00 0.00 55.97 55.31 3g1s s LYS 42 Cb -0.10 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 3g1s s LYS 42 CO 0.01 0.05 -0.22 0.42 -0.36 0.00 0.00 175.35 175.25 3g1s s ILE 43 N 1.03 2.31 0.12 5.43 -1.09 -0.34 -1.44 121.20 127.22 3g1s s ILE 43 Ca 0.06 -0.99 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 3g1s s ILE 43 Cb -0.14 -1.85 0.00 0.00 -1.58 0.00 0.00 42.46 38.89 3g1s s ILE 43 CO 0.04 0.57 0.02 0.61 -1.23 0.00 0.00 174.94 174.95 3g1s n GLY 44 N 2.76 3.83 0.31 6.18 0.00 -1.26 -0.37 105.19 116.64 3g1s n GLY 44 Ca -0.17 -2.24 0.01 0.00 0.00 0.00 0.00 46.02 43.62 3g1s n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3g1s h TYR 45 N 0.96 0.68 -0.48 1.61 0.99 -1.93 -2.67 116.97 116.12 3g1s h TYR 45 Ca -0.10 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 60.71 3g1s h TYR 45 Cb 0.30 -0.22 -0.08 0.00 1.00 0.00 0.00 36.73 37.73 3g1s h TYR 45 CO 0.00 0.50 -0.04 -1.35 -0.00 0.00 0.00 178.16 177.26 3g1s h PRO 46 N 0.69 0.07 -0.03 4.88 0.11 -1.96 0.28 132.00 136.04 3g1s h PRO 46 Ca 0.18 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 3g1s h PRO 46 Cb 0.06 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3g1s h PRO 46 CO -0.03 0.04 -0.27 1.25 -0.21 0.00 0.00 178.00 178.79 3g1s h LEU 47 N 0.07 0.29 -0.93 2.35 5.85 -1.75 -2.90 115.31 118.29 3g1s h LEU 47 Ca 0.24 -0.70 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 3g1s h LEU 47 Cb 0.36 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3g1s h LEU 47 CO -0.44 0.95 0.34 0.58 -0.34 0.00 0.00 178.44 179.53 3g1s h VAL 48 N -0.34 1.25 -0.00 1.05 2.07 -1.25 -0.20 116.25 118.83 3g1s h VAL 48 Ca -0.03 -0.73 -0.15 0.00 0.82 0.00 0.00 66.70 66.62 3g1s h VAL 48 Cb 0.96 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3g1s h VAL 48 CO 0.06 0.30 -0.69 -0.07 0.02 0.00 0.00 177.57 177.19 3g1s h LEU 49 N 1.09 0.02 0.08 2.57 3.38 -0.55 0.30 115.31 122.21 3g1s h LEU 49 Ca 0.26 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.96 3g1s h LEU 49 Cb 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3g1s h LEU 49 CO -0.03 0.70 -1.21 0.28 0.09 0.00 0.00 178.44 178.28 3g1s h SER 50 N 0.01 0.28 0.00 -0.43 0.02 -1.27 -3.39 113.55 108.77 3g1s h SER 50 Ca -0.01 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 3g1s h SER 50 Cb 1.22 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3g1s h SER 50 CO 0.09 1.25 -0.33 -0.62 -1.14 0.00 0.00 176.83 176.07 3g1s n GLU 51 N -3.46 4.88 0.00 3.45 -0.58 -0.11 -5.04 120.64 119.78 3g1s n GLU 51 Ca -0.07 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 3g1s n GLU 51 Cb 1.00 -0.75 0.00 0.00 -0.57 0.00 0.00 31.44 31.12 3g1s n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g1s n GLY 52 N 1.26 2.28 0.28 0.62 0.00 0.11 -4.72 105.19 105.00 3g1s n GLY 52 Ca 0.01 -1.74 0.19 0.00 0.00 0.00 0.00 46.02 44.47 3g1s n GLY 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g1s h MET 53 N 0.00 0.00 0.00 1.61 2.86 -1.93 -2.35 114.93 115.12 3g1s h MET 53 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g1s h MET 53 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3g1s h MET 53 CO 0.00 0.00 0.00 -0.44 1.06 0.00 0.00 176.91 177.53 3g1s h ASP 54 N 0.00 0.00 0.30 1.22 3.32 -1.92 -1.60 116.42 117.74 3g1s h ASP 54 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3g1s h ASP 54 Cb 0.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3g1s h ASP 54 CO 0.00 0.00 -0.11 -0.29 -1.72 0.00 0.00 179.24 177.12 3g1s h ILE 55 N 0.00 0.62 0.04 0.35 6.09 -1.71 -2.42 117.51 120.48 3g1s h ILE 55 Ca 0.00 -0.47 -0.00 0.00 -1.37 0.00 0.00 64.86 63.02 3g1s h ILE 55 Cb 0.03 1.30 0.00 0.00 0.47 0.00 0.00 36.82 38.62 3g1s h ILE 55 CO 0.00 0.11 -0.02 0.40 -3.07 0.00 0.00 178.15 175.57 3g1s h ILE 56 N 0.00 1.12 -0.24 2.19 2.04 -1.53 -1.67 117.51 119.41 3g1s h ILE 56 Ca -0.00 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 3g1s h ILE 56 Cb 0.29 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3g1s h ILE 56 CO 0.01 0.12 -0.06 0.00 0.00 0.00 0.00 178.15 178.22 3g1s h ALA 57 N 0.70 1.45 -0.72 1.87 0.00 -1.55 -2.24 119.26 118.77 3g1s h ALA 57 Ca -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3g1s h ALA 57 Cb 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3g1s h ALA 57 CO 0.01 0.39 0.26 1.49 0.00 0.00 0.00 179.25 181.39 3g1s h GLU 58 N 0.36 1.11 -0.29 0.00 4.81 -1.15 -1.41 114.58 118.01 3g1s h GLU 58 Ca 0.08 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 3g1s h GLU 58 Cb 0.34 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3g1s h GLU 58 CO 0.02 0.93 0.03 0.74 -0.73 0.00 0.00 179.01 179.99 3g1s h PHE 59 N 1.06 0.53 -0.90 0.92 -1.00 -0.80 -0.51 116.94 116.24 3g1s h PHE 59 Ca 0.24 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.93 3g1s h PHE 59 Cb 0.26 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 39.64 3g1s h PHE 59 CO 0.02 0.61 0.52 0.00 -1.61 0.00 0.00 178.31 177.85 3g1s h ARG 60 N 0.30 1.23 -0.03 1.51 3.08 -1.23 -0.90 114.38 118.35 3g1s h ARG 60 Ca 0.09 -0.12 -0.24 0.00 0.07 0.00 0.00 59.98 59.77 3g1s h ARG 60 Cb 0.38 -0.25 0.02 0.00 0.08 0.00 0.00 29.97 30.19 3g1s h ARG 60 CO 0.01 0.88 -0.92 -0.22 -1.07 0.00 0.00 179.97 178.65 3g1s h LYS 61 N 1.24 0.67 -0.03 0.04 3.64 -1.17 0.18 116.57 121.14 3g1s h LYS 61 Ca 0.32 -0.68 -0.16 0.00 -1.27 0.00 0.00 60.65 58.86 3g1s h LYS 61 Cb -0.02 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3g1s h LYS 61 CO -0.06 1.27 -0.69 0.00 -2.27 0.00 0.00 179.45 177.71 3g1s h ARG 62 N 0.33 0.15 -0.00 1.90 3.08 -0.97 -3.36 114.38 115.50 3g1s h ARG 62 Ca -0.11 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3g1s h ARG 62 Cb 1.57 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.65 3g1s h ARG 62 CO 0.18 0.78 -0.05 1.19 -1.07 0.00 0.00 179.97 181.00 3g1s n PHE 63 N -3.78 0.00 -2.21 3.04 3.01 -0.35 -5.00 117.46 112.17 3g1s n PHE 63 Ca -0.02 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.26 3g1s n PHE 63 Cb 0.68 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.13 3g1s n PHE 63 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3g1s n GLY 64 N 0.76 -0.04 3.96 1.37 0.00 0.62 -4.98 105.19 106.88 3g1s n GLY 64 Ca 0.00 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 3g1s n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1s s ARG 66 N -4.14 4.58 -0.13 0.00 3.52 0.99 -4.49 118.95 119.29 3g1s s ARG 66 Ca 0.37 1.23 0.02 0.00 -0.13 0.00 0.00 55.73 57.22 3g1s s ARG 66 Cb -0.09 -3.07 0.01 0.00 -1.56 0.00 0.00 34.95 30.23 3g1s s ARG 66 CO 0.32 0.45 -0.21 0.42 -0.81 0.00 0.00 175.30 175.47 3g1s s ILE 67 N -1.35 2.17 -0.22 4.11 -1.09 -1.26 -0.72 121.20 122.84 3g1s s ILE 67 Ca 0.42 -0.95 -0.05 0.00 -2.23 0.00 0.00 60.65 57.84 3g1s s ILE 67 Cb -0.21 -1.87 -0.02 0.00 -1.58 0.00 0.00 42.46 38.78 3g1s s ILE 67 CO 0.26 0.55 0.00 -0.63 -1.23 0.00 0.00 174.94 173.89 3g1s s ILE 68 N 0.71 3.81 -0.54 2.92 1.01 -0.23 -1.04 121.20 127.84 3g1s s ILE 68 Ca -0.09 -0.35 -0.25 0.00 0.00 0.00 0.00 60.65 59.96 3g1s s ILE 68 Cb -0.16 -2.74 0.04 0.00 0.01 0.00 0.00 42.46 39.60 3g1s s ILE 68 CO 0.01 0.40 1.00 0.00 0.00 0.00 0.00 174.94 176.34 3g1s s ALA 69 N 1.38 3.14 -1.42 9.38 0.00 0.20 -1.20 121.76 133.22 3g1s s ALA 69 Ca 0.05 -1.06 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 3g1s s ALA 69 Cb -0.15 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.19 3g1s s ALA 69 CO 0.00 -2.39 2.73 0.41 0.00 0.00 0.00 175.76 176.51 3g1s n GLY 70 N 5.07 4.64 0.17 0.00 0.00 0.50 -1.22 105.19 114.35 3g1s n GLY 70 Ca 0.04 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.41 3g1s n GLY 70 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3g1s h PHE 71 N 4.72 0.00 -6.03 1.61 0.05 -1.80 -3.41 116.94 112.07 3g1s h PHE 71 Ca 0.77 0.00 -0.39 0.00 3.82 0.00 0.00 57.97 62.17 3g1s h PHE 71 Cb 0.33 0.00 0.09 0.00 2.00 0.00 0.00 35.95 38.38 3g1s h PHE 71 CO 1.75 0.12 -0.89 1.63 -0.18 0.00 0.00 178.31 180.75 3g1s n LYS 72 N -3.01 -2.70 -1.67 1.51 5.02 -0.15 -4.83 118.16 112.33 3g1s n LYS 72 Ca 0.02 0.59 -0.46 0.00 -2.02 0.00 0.00 58.31 56.43 3g1s n LYS 72 Cb 0.59 -4.83 -0.04 0.00 -0.02 0.00 0.00 35.03 30.73 3g1s n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3g1s n VAL 73 N -4.03 0.17 -2.67 -0.18 0.31 -0.87 -4.37 118.33 106.69 3g1s n VAL 73 Ca -0.16 -0.03 -0.08 0.00 -0.01 0.00 0.00 64.34 64.05 3g1s n VAL 73 Cb 0.63 -1.65 0.05 0.00 -0.91 0.00 0.00 33.84 31.97 3g1s n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g1s n ALA 74 N 4.38 2.86 -3.77 3.52 0.00 -1.26 -0.66 120.51 125.57 3g1s n ALA 74 Ca 0.19 -2.65 -0.03 0.00 0.00 0.00 0.00 53.44 50.95 3g1s n ALA 74 Cb 0.29 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 3g1s n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g1s n ASP 75 N -0.22 1.59 -4.78 0.00 -0.08 -1.26 -4.95 116.55 106.84 3g1s n ASP 75 Ca 0.06 -1.17 -0.31 0.00 -1.51 0.00 0.00 54.79 51.86 3g1s n ASP 75 Cb 0.83 0.01 0.09 0.00 2.34 0.00 0.00 41.12 44.39 3g1s n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3g1s s ILE 76 N -0.65 3.35 0.17 5.18 -4.36 -1.26 -4.71 121.20 118.93 3g1s s ILE 76 Ca 0.01 0.44 -0.22 0.00 -0.26 0.00 0.00 60.65 60.63 3g1s s ILE 76 Cb -0.00 -3.05 0.09 0.00 1.25 0.00 0.00 42.46 40.75 3g1s s ILE 76 CO 0.01 -0.57 1.60 -0.65 0.24 0.00 0.00 174.94 175.56 3g1s h PRO 77 N -1.08 -0.20 -0.59 0.37 0.11 -1.88 0.32 132.00 129.05 3g1s h PRO 77 Ca -0.45 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3g1s h PRO 77 Cb 1.24 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 3g1s h PRO 77 CO 0.55 -0.13 0.32 1.05 -0.21 0.00 0.00 178.00 179.58 3g1s h GLU 78 N -0.21 0.81 -0.07 1.05 4.11 -1.94 -0.47 114.58 117.86 3g1s h GLU 78 Ca 0.20 -0.08 -0.23 0.00 0.07 0.00 0.00 59.36 59.32 3g1s h GLU 78 Cb 0.53 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.63 3g1s h GLU 78 CO -0.58 0.59 -0.87 1.15 0.07 0.00 0.00 179.01 179.37 3g1s h THR 79 N 0.82 1.32 -0.84 -1.06 2.02 -1.79 -2.60 112.91 110.78 3g1s h THR 79 Ca 0.21 -2.17 0.00 0.00 0.77 0.00 0.00 66.41 65.22 3g1s h THR 79 Cb 0.02 2.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 3g1s h THR 79 CO -0.03 0.67 0.52 0.78 0.37 0.00 0.00 175.52 177.83 3g1s h ASN 80 N 0.39 0.99 -0.25 4.18 4.21 -0.42 0.52 115.58 125.19 3g1s h ASN 80 Ca -0.07 -0.05 0.02 0.00 1.21 0.00 0.00 56.30 57.41 3g1s h ASN 80 Cb 1.50 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 38.42 3g1s h ASN 80 CO 0.17 0.75 0.10 -0.08 -1.29 0.00 0.00 177.43 177.08 3g1s h GLU 81 N 1.15 0.22 -0.68 0.81 4.81 -1.01 -0.35 114.58 119.52 3g1s h GLU 81 Ca 0.30 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.47 3g1s h GLU 81 Cb -0.08 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 3g1s h GLU 81 CO -0.06 0.15 0.23 0.87 -0.73 0.00 0.00 179.01 179.47 3g1s h LYS 82 N 0.23 1.04 -0.40 1.92 1.57 -1.02 -0.65 116.57 119.26 3g1s h LYS 82 Ca 0.11 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3g1s h LYS 82 Cb 0.06 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3g1s h LYS 82 CO -0.10 0.89 0.15 0.82 -0.57 0.00 0.00 179.45 180.65 3g1s h ILE 83 N 0.98 1.20 -0.46 1.86 2.04 -0.61 -1.13 117.51 121.39 3g1s h ILE 83 Ca 0.22 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3g1s h ILE 83 Cb 0.27 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3g1s h ILE 83 CO -0.01 0.23 0.17 0.00 0.00 0.00 0.00 178.15 178.53 3g1s h ARG 85 N 0.61 0.56 -0.72 0.00 2.43 -0.97 0.78 114.38 117.06 3g1s h ARG 85 Ca 0.15 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3g1s h ARG 85 Cb 0.23 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3g1s h ARG 85 CO -0.01 0.48 0.39 0.00 -1.51 0.00 0.00 179.97 179.32 3g1s h ALA 86 N 1.05 0.92 -0.46 2.80 0.00 -1.07 0.99 119.26 123.48 3g1s h ALA 86 Ca 0.13 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3g1s h ALA 86 Cb 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3g1s h ALA 86 CO -0.02 0.43 -0.11 1.15 0.00 0.00 0.00 179.25 180.70 3g1s h THR 87 N 0.99 1.27 -0.12 0.00 2.02 -0.86 -1.82 112.91 114.39 3g1s h THR 87 Ca 0.25 -1.23 -0.18 0.00 0.77 0.00 0.00 66.41 66.03 3g1s h THR 87 Cb 0.03 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3g1s h THR 87 CO -0.04 0.42 -0.66 -0.26 0.37 0.00 0.00 175.52 175.35 3g1s h PHE 88 N 0.73 0.61 -0.13 3.16 0.04 -0.66 -2.51 116.94 118.18 3g1s h PHE 88 Ca 0.12 -0.25 -0.03 0.00 2.80 0.00 0.00 57.97 60.61 3g1s h PHE 88 Cb 0.65 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 3g1s h PHE 88 CO 0.05 0.99 -0.05 0.87 -0.60 0.00 0.00 178.31 179.57 3g1s h LYS 89 N 0.34 0.18 0.00 1.51 1.57 -0.66 0.38 116.57 119.88 3g1s h LYS 89 Ca -0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3g1s h LYS 89 Cb 1.22 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3g1s h LYS 89 CO 0.12 0.25 0.00 0.00 -0.57 0.00 0.00 179.45 179.24 3g1s n ALA 90 N -2.50 2.43 0.00 3.86 0.00 -0.70 -4.89 120.51 118.71 3g1s n ALA 90 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3g1s n ALA 90 Cb 0.19 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3g1s n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1s n GLY 91 N 0.77 0.53 3.76 0.00 0.00 0.12 -3.59 105.19 106.78 3g1s n GLY 91 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3g1s n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1s s ALA 92 N -2.00 3.64 -0.09 4.61 0.00 -0.97 -4.85 121.76 122.10 3g1s s ALA 92 Ca 0.00 1.49 0.13 0.00 0.00 0.00 0.00 51.96 53.58 3g1s s ALA 92 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 3g1s s ALA 92 CO 0.00 -0.92 1.29 -0.44 0.00 0.00 0.00 175.76 175.69 3g1s h ASP 93 N 4.14 0.00 -5.11 0.00 3.32 -1.44 -3.42 116.42 113.91 3g1s h ASP 93 Ca -0.48 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 3g1s h ASP 93 Cb 1.23 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.66 3g1s h ASP 93 CO 0.73 0.64 -0.07 0.00 -1.72 0.00 0.00 179.24 178.81 3g1s s ALA 94 N -2.89 -0.79 0.01 3.45 0.00 -1.05 -1.81 121.76 118.69 3g1s s ALA 94 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3g1s s ALA 94 Cb 0.08 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 3g1s s ALA 94 CO 0.78 -0.70 -0.01 -1.50 0.00 0.00 0.00 175.76 174.32 3g1s s ILE 95 N -3.85 0.04 -0.19 0.00 2.07 -0.58 -0.63 121.20 118.05 3g1s s ILE 95 Ca 0.07 -0.26 -0.13 0.00 -1.41 0.00 0.00 60.65 58.93 3g1s s ILE 95 Cb 0.01 -0.09 -0.05 0.00 0.13 0.00 0.00 42.46 42.47 3g1s s ILE 95 CO -0.07 -0.14 0.24 -0.63 -1.91 0.00 0.00 174.94 172.44 3g1s s ILE 96 N -0.41 5.32 0.00 2.00 1.01 -0.36 -0.84 121.20 127.93 3g1s s ILE 96 Ca -0.04 0.42 0.07 0.00 0.00 0.00 0.00 60.65 61.09 3g1s s ILE 96 Cb -0.03 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 3g1s s ILE 96 CO -0.00 0.37 -0.21 -0.69 0.00 0.00 0.00 174.94 174.40 3g1s s VAL 97 N 0.71 1.69 0.42 2.92 1.01 0.37 -0.98 120.40 126.54 3g1s s VAL 97 Ca 0.13 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 60.88 3g1s s VAL 97 Cb -0.13 -1.42 -0.09 0.00 0.00 0.00 0.00 36.38 34.74 3g1s s VAL 97 CO 0.03 0.39 1.04 -1.00 0.00 0.00 0.00 175.10 175.56 3g1s s HIS 98 N -0.59 3.20 -0.43 5.22 3.76 0.17 -0.74 115.29 125.88 3g1s s HIS 98 Ca 0.08 1.63 0.19 0.00 -0.15 0.00 0.00 55.06 56.81 3g1s s HIS 98 Cb -0.08 -3.09 -0.26 0.00 1.11 0.00 0.00 32.58 30.26 3g1s s HIS 98 CO 0.00 -0.63 0.60 0.41 -0.85 0.00 0.00 174.74 174.27 3g1s n GLY 99 N 0.12 -0.84 0.29 -2.22 0.00 -1.24 -4.50 105.19 96.79 3g1s n GLY 99 Ca 0.06 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.71 3g1s n GLY 99 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3g1s h PHE 100 N 0.00 0.00 0.00 1.61 -5.15 -1.93 -1.51 116.94 109.95 3g1s h PHE 100 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3g1s h PHE 100 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.85 3g1s h PHE 100 CO 0.00 0.00 0.00 -2.30 -2.00 0.00 0.00 178.31 174.01 3g1s n PRO 101 N -4.06 0.64 0.00 6.09 -0.02 -1.26 -4.99 135.00 131.40 3g1s n PRO 101 Ca -0.03 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3g1s n PRO 101 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3g1s n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g1s n GLY 102 N 0.47 1.71 0.33 -1.23 0.00 -0.57 -4.62 105.19 101.28 3g1s n GLY 102 Ca 0.16 -2.05 -0.06 0.00 0.00 0.00 0.00 46.02 44.07 3g1s n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1s h ALA 103 N 0.00 1.00 -0.44 4.61 0.00 -1.94 -2.68 119.26 119.81 3g1s h ALA 103 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3g1s h ALA 103 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3g1s h ALA 103 CO 0.00 0.63 -0.03 0.38 0.00 0.00 0.00 179.25 180.23 3g1s h ASP 104 N 1.11 0.71 0.08 0.00 2.03 -1.99 0.69 116.42 119.05 3g1s h ASP 104 Ca 0.25 -0.17 -0.10 0.00 -0.73 0.00 0.00 57.03 56.28 3g1s h ASP 104 Cb 0.23 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.53 3g1s h ASP 104 CO -0.02 0.79 -0.31 0.28 -1.03 0.00 0.00 179.24 178.96 3g1s h SER 105 N 0.69 0.35 -0.07 4.15 0.02 -1.78 -1.53 113.55 115.38 3g1s h SER 105 Ca 0.13 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3g1s h SER 105 Cb 0.46 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3g1s h SER 105 CO 0.02 0.66 -0.36 0.58 -1.14 0.00 0.00 176.83 176.59 3g1s h VAL 106 N 0.30 1.42 -0.47 2.27 2.07 -1.10 -3.24 116.25 117.50 3g1s h VAL 106 Ca 0.04 -1.76 0.02 0.00 0.82 0.00 0.00 66.70 65.81 3g1s h VAL 106 Cb 0.70 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 3g1s h VAL 106 CO 0.05 0.51 0.31 -0.09 0.02 0.00 0.00 177.57 178.38 3g1s h ARG 107 N -0.11 0.58 -0.94 1.57 2.43 -0.73 -0.94 114.38 116.23 3g1s h ARG 107 Ca -0.02 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3g1s h ARG 107 Cb 1.01 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.38 3g1s h ARG 107 CO 0.07 0.38 0.61 0.00 -1.51 0.00 0.00 179.97 179.53 3g1s h ALA 108 N 1.71 1.45 -0.17 2.80 0.00 -1.30 0.12 119.26 123.87 3g1s h ALA 108 Ca 0.18 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3g1s h ALA 108 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3g1s h ALA 108 CO -0.04 0.43 -0.40 0.00 0.00 0.00 0.00 179.25 179.23 3g1s h LEU 110 N 0.23 1.10 -0.22 0.00 3.38 -0.52 -1.24 115.31 118.03 3g1s h LEU 110 Ca -0.00 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3g1s h LEU 110 Cb 1.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3g1s h LEU 110 CO 0.09 0.76 0.09 0.78 0.09 0.00 0.00 178.44 180.25 3g1s h ASN 111 N 1.28 0.11 -0.54 -0.43 2.35 -0.76 -0.65 115.58 116.94 3g1s h ASN 111 Ca 0.39 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 56.07 3g1s h ASN 111 Cb -0.03 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3g1s h ASN 111 CO -0.11 0.10 0.01 0.58 -1.65 0.00 0.00 177.43 176.35 3g1s h VAL 112 N 0.20 1.26 -0.75 2.81 2.07 -1.38 -1.66 116.25 118.80 3g1s h VAL 112 Ca 0.09 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 3g1s h VAL 112 Cb 0.05 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3g1s h VAL 112 CO -0.08 0.39 0.37 0.00 0.02 0.00 0.00 177.57 178.26 3g1s h ALA 113 N 0.96 1.23 0.07 1.67 0.00 -0.99 -0.38 119.26 121.81 3g1s h ALA 113 Ca 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3g1s h ALA 113 Cb 0.53 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3g1s h ALA 113 CO 0.03 0.60 -0.03 1.49 0.00 0.00 0.00 179.25 181.33 3g1s h GLU 114 N 1.07 -0.09 -0.58 0.00 4.57 -0.90 0.22 114.58 118.87 3g1s h GLU 114 Ca 0.26 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.50 3g1s h GLU 114 Cb 0.10 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 3g1s h GLU 114 CO -0.03 0.10 0.31 1.49 -1.18 0.00 0.00 179.01 179.69 3g1s h GLU 115 N -0.27 0.56 -0.03 1.92 4.81 -0.98 -2.94 114.58 117.65 3g1s h GLU 115 Ca -0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3g1s h GLU 115 Cb 0.23 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3g1s h GLU 115 CO 0.02 0.37 0.00 -1.33 -0.73 0.00 0.00 179.01 177.34 3g1s n MET 116 N -4.84 1.89 -2.99 1.92 2.81 -0.18 -4.96 117.12 110.77 3g1s n MET 116 Ca 0.06 -1.30 -0.13 0.00 -1.81 0.00 0.00 57.70 54.53 3g1s n MET 116 Cb 0.15 -1.47 0.04 0.00 -0.71 0.00 0.00 33.22 31.23 3g1s n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g1s n GLY 117 N 1.24 0.14 1.55 3.03 0.00 0.21 -5.04 105.19 106.31 3g1s n GLY 117 Ca 0.17 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 3g1s n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g1s n ARG 118 N -2.81 1.43 -4.49 1.61 5.12 0.52 -5.03 116.66 113.01 3g1s n ARG 118 Ca -0.01 -1.55 -0.27 0.00 -1.93 0.00 0.00 57.85 54.10 3g1s n ARG 118 Cb 0.54 0.38 -0.13 0.00 -1.16 0.00 0.00 32.46 32.08 3g1s n ARG 118 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3g1s s GLU 119 N -2.80 1.36 -0.09 5.56 0.41 -0.75 -4.52 118.70 117.86 3g1s s GLU 119 Ca 0.02 -1.16 0.02 0.00 -0.41 0.00 0.00 54.97 53.45 3g1s s GLU 119 Cb -0.00 -1.64 -0.02 0.00 -1.78 0.00 0.00 34.13 30.69 3g1s s GLU 119 CO 0.01 0.40 -0.16 0.08 -0.49 0.00 0.00 175.26 175.10 3g1s s VAL 120 N -1.00 2.85 -0.17 2.63 1.01 -1.26 -1.52 120.40 122.94 3g1s s VAL 120 Ca 0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 3g1s s VAL 120 Cb -0.10 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3g1s s VAL 120 CO 0.04 0.55 -0.07 -0.36 0.00 0.00 0.00 175.10 175.26 3g1s s PHE 121 N -0.04 2.93 -0.24 5.22 0.40 -0.02 -4.08 117.98 122.15 3g1s s PHE 121 Ca -0.04 -0.61 -0.17 0.00 -0.60 0.00 0.00 56.93 55.51 3g1s s PHE 121 Cb -0.14 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 3g1s s PHE 121 CO 0.04 -0.25 0.45 -1.17 0.70 0.00 0.00 175.22 174.99 3g1s s LEU 122 N 0.71 4.08 -0.46 -0.37 2.96 -0.23 -0.48 118.68 124.89 3g1s s LEU 122 Ca -0.03 0.48 -0.27 0.00 -0.22 0.00 0.00 54.13 54.08 3g1s s LEU 122 Cb -0.15 -2.57 0.03 0.00 0.50 0.00 0.00 46.19 44.00 3g1s s LEU 122 CO 0.02 -0.20 1.02 -0.22 -1.32 0.00 0.00 176.35 175.65 3g1s s LEU 123 N 1.94 3.85 0.03 -0.68 2.96 0.08 -1.12 118.68 125.75 3g1s s LEU 123 Ca 0.19 0.30 0.13 0.00 -0.22 0.00 0.00 54.13 54.53 3g1s s LEU 123 Cb -0.15 -3.35 -0.18 0.00 0.50 0.00 0.00 46.19 43.01 3g1s s LEU 123 CO 0.09 -1.12 0.85 0.71 -1.32 0.00 0.00 176.35 175.55 3g1s h THR 124 N 6.13 0.86 -1.89 3.68 1.35 -1.67 -3.29 112.91 118.08 3g1s h THR 124 Ca -0.23 -2.55 0.01 0.00 -0.55 0.00 0.00 66.41 63.08 3g1s h THR 124 Cb 1.07 2.36 -0.20 0.00 -1.73 0.00 0.00 68.15 69.65 3g1s h THR 124 CO 1.07 0.49 0.36 -0.70 -0.25 0.00 0.00 175.52 176.48 3g1s s GLU 125 N -2.74 0.87 0.30 4.72 2.12 -1.26 -4.24 118.70 118.47 3g1s s GLU 125 Ca -0.03 0.14 0.09 0.00 0.36 0.00 0.00 54.97 55.53 3g1s s GLU 125 Cb 0.08 0.41 -0.04 0.00 0.26 0.00 0.00 34.13 34.84 3g1s s GLU 125 CO 0.82 -0.28 0.03 -1.64 -0.54 0.00 0.00 175.26 173.64 3g1s s MET 126 N -1.41 2.26 0.00 4.30 -1.94 -1.26 -3.94 119.30 117.32 3g1s s MET 126 Ca -0.06 -1.51 0.12 0.00 -1.71 0.00 0.00 55.69 52.53 3g1s s MET 126 Cb -0.00 -2.12 -0.02 0.00 2.01 0.00 0.00 34.83 34.70 3g1s s MET 126 CO 0.04 0.27 0.67 -1.13 -0.01 0.00 0.00 175.02 174.86 3g1s n SER 127 N -0.96 1.24 -4.74 3.03 3.41 -1.26 -4.80 113.62 109.54 3g1s n SER 127 Ca -0.05 -1.12 -0.34 0.00 -0.26 0.00 0.00 58.87 57.10 3g1s n SER 127 Cb 0.60 0.52 0.08 0.00 -0.26 0.00 0.00 64.21 65.15 3g1s n SER 127 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3g1s s HIS 128 N -1.56 2.24 0.23 7.33 -3.43 -1.26 -4.89 115.29 113.96 3g1s s HIS 128 Ca 0.09 1.59 -0.13 0.00 -0.80 0.00 0.00 55.06 55.80 3g1s s HIS 128 Cb 0.09 -3.37 0.29 0.00 -1.43 0.00 0.00 32.58 28.16 3g1s s HIS 128 CO 0.31 -2.29 1.59 -1.35 -2.00 0.00 0.00 174.74 171.00 3g1s h PRO 129 N -0.16 -0.03 0.00 -0.38 0.11 -2.06 -0.84 132.00 128.64 3g1s h PRO 129 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3g1s h PRO 129 Cb 1.28 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3g1s h PRO 129 CO 0.51 -0.02 0.15 0.78 -0.21 0.00 0.00 178.00 179.22 3g1s h GLY 130 N -0.03 0.00 2.00 -0.55 0.00 -1.99 -2.57 103.07 99.93 3g1s h GLY 130 Ca 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 3g1s h GLY 130 CO -0.80 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 175.73 3g1s h ALA 131 N 1.62 1.17 0.00 3.60 0.00 -1.46 -2.42 119.26 121.78 3g1s h ALA 131 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3g1s h ALA 131 Cb 0.31 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3g1s h ALA 131 CO 0.00 0.01 -0.31 1.49 0.00 0.00 0.00 179.25 180.44 3g1s h GLU 132 N 0.00 0.00 0.17 0.00 4.22 -1.67 0.03 114.58 117.34 3g1s h GLU 132 Ca -0.00 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.45 3g1s h GLU 132 Cb 0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3g1s h GLU 132 CO 0.00 0.31 -0.19 0.52 -2.18 0.00 0.00 179.01 177.47 3g1s h MET 133 N 0.00 -0.39 0.00 1.92 2.86 -1.68 -3.41 114.93 114.23 3g1s h MET 133 Ca -0.00 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3g1s h MET 133 Cb 0.55 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.30 3g1s h MET 133 CO 0.04 -0.26 -0.41 1.19 1.06 0.00 0.00 176.91 178.54 3g1s n PHE 134 N -5.31 0.00 -0.04 -0.22 3.01 -1.24 -4.88 117.46 108.77 3g1s n PHE 134 Ca -0.08 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.27 3g1s n PHE 134 Cb 0.23 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.65 3g1s n PHE 134 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3g1s h ILE 135 N 0.00 1.15 -0.70 4.37 2.04 -1.71 -3.06 117.51 119.59 3g1s h ILE 135 Ca 0.00 -0.44 0.08 0.00 1.00 0.00 0.00 64.86 65.50 3g1s h ILE 135 Cb 0.41 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.55 3g1s h ILE 135 CO 0.00 0.14 0.37 -0.61 0.00 0.00 0.00 178.15 178.05 3g1s h GLN 136 N 0.12 0.63 0.00 2.37 4.15 -1.23 -1.45 115.11 119.70 3g1s h GLN 136 Ca 0.06 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3g1s h GLN 136 Cb 0.16 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3g1s h GLN 136 CO -0.01 0.41 0.00 0.78 -1.93 0.00 0.00 178.83 178.09 3g1s h GLY 137 N 0.64 0.00 -0.37 2.39 0.00 -1.81 -2.94 103.07 100.99 3g1s h GLY 137 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3g1s h GLY 137 CO -0.24 0.00 -0.66 0.00 0.00 0.00 0.00 176.54 175.64 3g1s n ALA 138 N -2.03 3.94 -0.06 3.60 0.00 -0.75 -4.68 120.51 120.54 3g1s n ALA 138 Ca 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 53.44 52.82 3g1s n ALA 138 Cb 0.26 -0.67 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 3g1s n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g1s h ALA 139 N 2.89 -0.09 -0.56 0.00 0.00 -1.10 -0.43 119.26 119.97 3g1s h ALA 139 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3g1s h ALA 139 Cb 0.52 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3g1s h ALA 139 CO 0.00 -0.65 0.37 -0.44 0.00 0.00 0.00 179.25 178.53 3g1s h ASP 140 N -0.22 0.63 -0.14 0.00 3.32 -1.83 -0.62 116.42 117.56 3g1s h ASP 140 Ca 0.15 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3g1s h ASP 140 Cb 0.45 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3g1s h ASP 140 CO -0.40 0.46 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.08 3g1s h GLU 141 N 0.75 0.54 -0.39 3.56 5.08 -1.78 -0.90 114.58 121.44 3g1s h GLU 141 Ca 0.21 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3g1s h GLU 141 Cb -0.08 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3g1s h GLU 141 CO -0.05 0.69 -0.07 0.82 -1.00 0.00 0.00 179.01 179.40 3g1s h ILE 142 N 0.49 1.27 -0.49 3.13 2.04 -0.68 0.13 117.51 123.40 3g1s h ILE 142 Ca 0.08 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 3g1s h ILE 142 Cb 0.58 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3g1s h ILE 142 CO 0.04 0.38 0.28 0.00 0.00 0.00 0.00 178.15 178.84 3g1s h ALA 143 N 0.85 0.63 -0.69 1.87 0.00 -0.83 -0.94 119.26 120.14 3g1s h ALA 143 Ca 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3g1s h ALA 143 Cb 0.57 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3g1s h ALA 143 CO 0.03 0.14 0.27 0.00 0.00 0.00 0.00 179.25 179.69 3g1s h ARG 144 N 0.65 1.02 -0.64 0.00 3.08 -0.99 -1.16 114.38 116.34 3g1s h ARG 144 Ca 0.17 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3g1s h ARG 144 Cb 0.04 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3g1s h ARG 144 CO -0.03 0.84 0.36 1.98 -1.07 0.00 0.00 179.97 182.05 3g1s h MET 145 N 1.00 0.89 -0.43 0.04 4.05 -0.46 0.02 114.93 120.04 3g1s h MET 145 Ca 0.23 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 3g1s h MET 145 Cb 0.20 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 3g1s h MET 145 CO -0.02 0.66 0.28 0.78 0.23 0.00 0.00 176.91 178.84 3g1s h GLY 146 N 0.87 0.60 1.00 1.39 0.00 -0.51 -1.68 103.07 104.74 3g1s h GLY 146 Ca 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3g1s h GLY 146 CO -0.04 0.22 0.35 -2.08 0.00 0.00 0.00 176.54 174.99 3g1s h VAL 147 N 0.58 1.19 0.00 4.60 2.07 -0.80 0.11 116.25 123.99 3g1s h VAL 147 Ca 0.16 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3g1s h VAL 147 Cb -0.06 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3g1s h VAL 147 CO -0.03 0.20 -0.06 0.44 0.02 0.00 0.00 177.57 178.14 3g1s h ASP 148 N 0.83 0.00 -0.29 0.57 3.32 -0.70 -2.26 116.42 117.89 3g1s h ASP 148 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3g1s h ASP 148 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3g1s h ASP 148 CO -0.04 0.06 0.00 0.18 -1.72 0.00 0.00 179.24 177.72 3g1s n LEU 149 N -3.28 3.12 0.00 1.55 4.77 -0.66 -4.95 117.00 117.54 3g1s n LEU 149 Ca -0.01 -1.28 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 3g1s n LEU 149 Cb 0.24 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3g1s n LEU 149 CO 0.27 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 3g1s n GLY 150 N 1.43 0.47 3.73 -0.72 0.00 -0.85 -5.01 105.19 104.25 3g1s n GLY 150 Ca 0.18 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3g1s n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1s s VAL 151 N -2.00 2.81 -0.08 1.61 1.01 -0.04 -4.91 120.40 118.81 3g1s s VAL 151 Ca 0.00 0.63 0.16 0.00 0.00 0.00 0.00 61.98 62.77 3g1s s VAL 151 Cb 0.00 -3.40 -0.25 0.00 0.00 0.00 0.00 36.38 32.73 3g1s s VAL 151 CO 0.00 0.08 0.38 0.29 0.00 0.00 0.00 175.10 175.85 3g1s n LYS 152 N 3.12 0.59 -4.90 2.72 4.76 -1.26 -4.59 118.16 118.60 3g1s n LYS 152 Ca 0.10 -0.14 -0.33 0.00 -2.87 0.00 0.00 58.31 55.07 3g1s n LYS 152 Cb 0.40 -1.38 -0.14 0.00 -1.84 0.00 0.00 35.03 32.07 3g1s n LYS 152 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3g1s s ASN 153 N -3.77 3.85 0.08 4.39 0.01 -1.26 0.12 114.94 118.36 3g1s s ASN 153 Ca -0.05 -0.32 0.02 0.00 -0.71 0.00 0.00 52.86 51.81 3g1s s ASN 153 Cb 0.11 -1.23 -0.03 0.00 0.41 0.00 0.00 41.25 40.50 3g1s s ASN 153 CO 0.67 0.24 -0.08 -0.31 -1.51 0.00 0.00 177.10 176.11 3g1s s TYR 154 N -0.10 0.88 -0.12 2.20 1.51 0.56 -1.07 117.35 121.21 3g1s s TYR 154 Ca -0.03 -0.71 0.02 0.00 -1.01 0.00 0.00 57.07 55.34 3g1s s TYR 154 Cb -0.14 -0.50 0.01 0.00 -0.11 0.00 0.00 41.96 41.22 3g1s s TYR 154 CO 0.04 -0.08 -0.16 0.08 -1.11 0.00 0.00 175.55 174.31 3g1s s VAL 155 N -2.61 1.62 0.16 0.71 1.01 -0.28 -1.12 120.40 119.90 3g1s s VAL 155 Ca 0.04 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.34 3g1s s VAL 155 Cb -0.02 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3g1s s VAL 155 CO -0.02 0.47 -0.06 -0.83 0.00 0.00 0.00 175.10 174.65 3g1s s GLY 156 N 1.02 1.15 0.74 4.51 0.00 -0.60 -1.78 107.32 112.35 3g1s s GLY 156 Ca -0.05 -1.54 -0.11 0.00 0.00 0.00 0.00 44.72 43.02 3g1s s GLY 156 CO -0.03 -1.58 1.07 2.56 0.00 0.00 0.00 173.10 175.12 3g1s s PRO 157 N -3.80 2.58 -0.02 2.90 0.04 -1.25 -3.83 135.00 131.61 3g1s s PRO 157 Ca 0.19 0.96 0.07 0.00 0.04 0.00 0.00 61.00 62.27 3g1s s PRO 157 Cb 0.04 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.52 3g1s s PRO 157 CO 0.02 -1.35 0.13 0.43 0.04 0.00 0.00 177.00 176.27 3g1s n SER 158 N -3.30 3.32 -0.35 6.66 7.64 -1.26 -4.54 113.62 121.78 3g1s n SER 158 Ca 0.08 0.00 0.26 0.00 1.01 0.00 0.00 58.87 60.22 3g1s n SER 158 Cb 0.54 1.20 0.54 0.00 -1.01 0.00 0.00 64.21 65.48 3g1s n SER 158 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3g1s h THR 159 N 0.00 0.41 -3.62 0.44 1.35 -1.94 -3.31 112.91 106.23 3g1s h THR 159 Ca -0.04 -0.11 -0.65 0.00 -0.55 0.00 0.00 66.41 65.07 3g1s h THR 159 Cb 0.55 0.07 -0.40 0.00 -1.73 0.00 0.00 68.15 66.65 3g1s h THR 159 CO 0.00 0.06 -0.74 -0.13 -0.25 0.00 0.00 175.52 174.46 3g1s s ARG 160 N -5.45 1.43 0.24 4.72 0.52 -1.26 -5.01 118.95 114.14 3g1s s ARG 160 Ca -0.09 -1.66 -0.06 0.00 -0.52 0.00 0.00 55.73 53.41 3g1s s ARG 160 Cb 0.27 -2.96 0.45 0.00 0.52 0.00 0.00 34.95 33.23 3g1s s ARG 160 CO 0.80 -0.90 1.67 -1.35 0.02 0.00 0.00 175.30 175.55 3g1s h PRO 161 N 7.72 0.22 0.00 3.54 0.11 -1.92 0.17 132.00 141.84 3g1s h PRO 161 Ca -0.07 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 3g1s h PRO 161 Cb 1.02 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 3g1s h PRO 161 CO 0.50 0.15 -0.03 1.05 -0.21 0.00 0.00 178.00 179.45 3g1s h GLU 162 N 0.23 0.00 0.05 1.05 9.09 -1.94 -0.56 114.58 122.49 3g1s h GLU 162 Ca 0.41 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.59 3g1s h GLU 162 Cb 0.71 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.80 3g1s h GLU 162 CO -0.54 0.03 -1.03 0.00 0.05 0.00 0.00 179.01 177.52 3g1s h ARG 163 N 0.00 0.21 -0.09 1.06 -0.00 -1.35 -2.25 114.38 111.96 3g1s h ARG 163 Ca -0.00 -0.29 -0.15 0.00 -0.50 0.00 0.00 59.98 59.04 3g1s h ARG 163 Cb 0.10 0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.15 3g1s h ARG 163 CO 0.00 1.07 -0.61 1.25 0.00 0.00 0.00 179.97 181.68 3g1s h LEU 164 N 0.09 0.34 -0.53 3.04 5.85 -0.94 -1.70 115.31 121.46 3g1s h LEU 164 Ca -0.07 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.34 3g1s h LEU 164 Cb 1.72 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 3g1s h LEU 164 CO 0.16 0.87 -0.11 -1.28 -0.34 0.00 0.00 178.44 177.75 3g1s h SER 165 N 0.22 1.01 -0.55 1.25 0.87 -1.13 -0.88 113.55 114.35 3g1s h SER 165 Ca -0.01 -0.35 -0.04 0.00 -1.23 0.00 0.00 61.79 60.16 3g1s h SER 165 Cb 1.13 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 3g1s h SER 165 CO 0.10 1.13 0.17 -0.09 -0.53 0.00 0.00 176.83 177.60 3g1s h ARG 166 N 0.88 0.85 -0.24 2.24 9.65 -1.20 -1.12 114.38 125.43 3g1s h ARG 166 Ca 0.14 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 3g1s h ARG 166 Cb 0.67 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 3g1s h ARG 166 CO 0.05 0.78 0.13 1.25 2.80 0.00 0.00 179.97 184.97 3g1s h LEU 167 N 0.76 0.31 -1.37 3.80 6.46 -1.10 -1.95 115.31 122.22 3g1s h LEU 167 Ca 0.18 -0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.85 3g1s h LEU 167 Cb 0.29 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 3g1s h LEU 167 CO -0.00 0.33 0.43 -0.09 -0.62 0.00 0.00 178.44 178.48 3g1s h ARG 168 N 0.28 0.82 -0.58 1.25 9.65 -0.97 -0.63 114.38 124.20 3g1s h ARG 168 Ca 0.09 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 3g1s h ARG 168 Cb 0.09 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 3g1s h ARG 168 CO -0.01 0.55 0.28 1.49 2.80 0.00 0.00 179.97 185.08 3g1s h GLU 169 N 0.85 0.84 -0.12 0.20 4.57 -0.65 0.82 114.58 121.09 3g1s h GLU 169 Ca 0.25 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 3g1s h GLU 169 Cb -0.05 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.39 3g1s h GLU 169 CO -0.06 0.68 -0.09 0.82 -1.18 0.00 0.00 179.01 179.19 3g1s h ILE 170 N 0.80 1.34 0.00 2.32 2.04 -0.57 -3.26 117.51 120.18 3g1s h ILE 170 Ca 0.20 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3g1s h ILE 170 Cb 0.12 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3g1s h ILE 170 CO -0.03 0.34 -0.08 2.30 0.00 0.00 0.00 178.15 180.68 3g1s n ILE 171 N -4.66 0.37 0.00 -0.67 -5.35 -0.33 -4.94 119.36 103.77 3g1s n ILE 171 Ca -0.06 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 3g1s n ILE 171 Cb 0.31 -0.48 0.00 0.00 -1.74 0.00 0.00 39.64 37.73 3g1s n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3g1s n GLY 172 N 1.38 -1.51 0.26 3.28 0.00 0.28 -4.05 105.19 104.83 3g1s n GLY 172 Ca 0.06 -1.57 0.15 0.00 0.00 0.00 0.00 46.02 44.66 3g1s n GLY 172 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3g1s h GLN 173 N 0.00 0.00 -0.03 1.61 1.08 -1.92 -3.24 115.11 112.62 3g1s h GLN 173 Ca 0.00 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.00 3g1s h GLN 173 Cb 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3g1s h GLN 173 CO 0.00 0.03 -0.85 -0.44 -0.95 0.00 0.00 178.83 176.62 3g1s h ASP 174 N 0.00 0.44 -4.18 1.46 3.45 -1.95 -3.46 116.42 112.17 3g1s h ASP 174 Ca -0.00 -0.33 -0.53 0.00 0.43 0.00 0.00 57.03 56.60 3g1s h ASP 174 Cb 0.68 -0.13 0.15 0.00 -0.56 0.00 0.00 39.33 39.47 3g1s h ASP 174 CO 0.00 1.10 0.38 -0.44 -1.57 0.00 0.00 179.24 178.72 3g1s s SER 175 N -7.00 4.21 -0.20 6.45 0.01 -1.22 -4.97 113.70 110.97 3g1s s SER 175 Ca -0.05 2.32 -0.13 0.00 1.31 0.00 0.00 55.95 59.40 3g1s s SER 175 Cb 0.10 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 3g1s s SER 175 CO 0.85 -2.25 0.25 0.12 0.41 0.00 0.00 173.24 172.62 3g1s s PHE 176 N -2.05 3.38 -0.08 2.43 5.36 0.12 -4.99 117.98 122.15 3g1s s PHE 176 Ca 0.73 0.44 0.02 0.00 -0.96 0.00 0.00 56.93 57.16 3g1s s PHE 176 Cb -0.28 -2.34 0.01 0.00 -0.34 0.00 0.00 43.02 40.08 3g1s s PHE 176 CO 0.46 0.13 -0.12 -1.17 -1.46 0.00 0.00 175.22 173.05 3g1s s LEU 177 N 0.85 1.61 0.10 6.12 2.96 -1.26 -0.32 118.68 128.74 3g1s s LEU 177 Ca 0.13 -0.32 0.10 0.00 -0.22 0.00 0.00 54.13 53.82 3g1s s LEU 177 Cb -0.13 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 3g1s s LEU 177 CO 0.04 0.02 -0.25 0.27 -1.32 0.00 0.00 176.35 175.11 3g1s s ILE 178 N 0.82 2.05 -0.01 6.68 -4.36 -0.28 0.20 121.20 126.30 3g1s s ILE 178 Ca -0.11 -1.60 -0.01 0.00 -0.26 0.00 0.00 60.65 58.67 3g1s s ILE 178 Cb -0.15 -1.81 0.01 0.00 1.25 0.00 0.00 42.46 41.75 3g1s s ILE 178 CO 0.02 0.11 0.03 -0.44 0.24 0.00 0.00 174.94 174.90 3g1s s SER 179 N -1.81 -0.01 0.00 4.36 0.01 -0.89 -1.56 113.70 113.80 3g1s s SER 179 Ca 0.11 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.43 3g1s s SER 179 Cb -0.10 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.16 3g1s s SER 179 CO 0.05 -0.04 0.17 -2.65 0.41 0.00 0.00 173.24 171.18 3g1s n PRO 180 N 3.37 0.00 0.00 12.44 -0.02 -1.25 -0.67 135.00 148.87 3g1s n PRO 180 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3g1s n PRO 180 Cb 0.57 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 3g1s n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g1s n GLY 190 N 2.33 0.00 0.17 -1.23 0.00 -1.26 -4.13 105.19 101.07 3g1s n GLY 190 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3g1s n GLY 190 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3g1s h GLU 191 N 0.00 0.00 -0.96 1.61 4.81 -2.02 -3.25 114.58 114.77 3g1s h GLU 191 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3g1s h GLU 191 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 3g1s h GLU 191 CO 0.00 0.20 0.63 1.15 -0.73 0.00 0.00 179.01 180.26 3g1s h THR 192 N 0.00 1.25 0.00 0.32 2.02 -1.96 -1.11 112.91 113.42 3g1s h THR 192 Ca -0.01 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3g1s h THR 192 Cb 1.17 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3g1s h THR 192 CO 0.03 0.24 0.00 0.18 0.37 0.00 0.00 175.52 176.34 3g1s n LEU 193 N -4.41 0.00 0.19 2.58 4.77 -1.23 -0.86 117.00 118.04 3g1s n LEU 193 Ca 0.11 0.08 0.07 0.00 -0.03 0.00 0.00 56.01 56.24 3g1s n LEU 193 Cb 0.02 -0.08 0.27 0.00 -2.33 0.00 0.00 43.42 41.30 3g1s n LEU 193 CO 0.37 -0.04 0.66 0.03 -1.33 0.00 0.00 177.39 177.09 3g1s h ARG 194 N 0.00 0.00 0.00 3.23 3.08 -1.35 -3.37 114.38 115.97 3g1s h ARG 194 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3g1s h ARG 194 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 3g1s h ARG 194 CO 0.00 0.34 -1.07 1.19 -1.07 0.00 0.00 179.97 179.36 3g1s n PHE 195 N -3.35 0.00 -3.31 3.04 3.01 -0.82 -5.05 117.46 110.99 3g1s n PHE 195 Ca 0.01 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 3g1s n PHE 195 Cb 0.56 -0.05 -0.06 0.00 -0.01 0.00 0.00 39.48 39.92 3g1s n PHE 195 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g1s s ALA 196 N -2.02 3.48 0.03 4.37 0.00 -0.04 -4.88 121.76 122.70 3g1s s ALA 196 Ca -0.01 -0.14 0.10 0.00 0.00 0.00 0.00 51.96 51.90 3g1s s ALA 196 Cb 0.00 -2.57 -0.15 0.00 0.00 0.00 0.00 23.12 20.41 3g1s s ALA 196 CO 0.03 0.44 1.25 -0.44 0.00 0.00 0.00 175.76 177.04 3g1s h ASP 197 N 2.52 0.00 -5.02 0.00 3.32 -0.55 -3.39 116.42 113.30 3g1s h ASP 197 Ca -0.47 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.49 3g1s h ASP 197 Cb 1.17 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.54 3g1s h ASP 197 CO 0.67 0.87 -0.16 0.00 -1.72 0.00 0.00 179.24 178.91 3g1s s ALA 198 N -2.77 -0.94 0.05 3.45 0.00 -1.15 -4.76 121.76 115.64 3g1s s ALA 198 Ca 0.01 0.34 0.05 0.00 0.00 0.00 0.00 51.96 52.37 3g1s s ALA 198 Cb 0.09 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 3g1s s ALA 198 CO 0.80 -0.38 -0.08 0.96 0.00 0.00 0.00 175.76 177.07 3g1s s ILE 199 N -2.02 3.53 -0.25 0.00 -4.36 -0.48 -2.10 121.20 115.52 3g1s s ILE 199 Ca -0.08 -1.00 -0.08 0.00 -0.26 0.00 0.00 60.65 59.23 3g1s s ILE 199 Cb -0.02 -2.59 -0.03 0.00 1.25 0.00 0.00 42.46 41.07 3g1s s ILE 199 CO 0.01 0.26 0.08 -0.63 0.24 0.00 0.00 174.94 174.90 3g1s s ILE 200 N -1.10 4.41 -0.07 8.37 1.01 0.16 -0.46 121.20 133.51 3g1s s ILE 200 Ca 0.19 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.76 3g1s s ILE 200 Cb -0.11 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 3g1s s ILE 200 CO 0.11 0.34 -0.23 -0.69 0.00 0.00 0.00 174.94 174.46 3g1s s VAL 201 N 1.59 1.92 0.00 2.92 1.01 -0.12 -4.43 120.40 123.29 3g1s s VAL 201 Ca 0.06 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3g1s s VAL 201 Cb -0.15 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.59 3g1s s VAL 201 CO 0.04 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3g1s n GLY 202 N 3.17 0.90 0.31 4.51 0.00 -1.26 -0.63 105.19 112.19 3g1s n GLY 202 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.94 3g1s n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g1s h ARG 203 N 0.00 0.10 -0.53 1.61 3.08 -1.97 0.29 114.38 116.97 3g1s h ARG 203 Ca 0.00 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.20 3g1s h ARG 203 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3g1s h ARG 203 CO 0.00 0.07 0.67 1.03 -1.07 0.00 0.00 179.97 180.67 3g1s h SER 204 N 0.11 0.00 0.00 7.04 0.87 -1.97 -1.39 113.55 118.21 3g1s h SER 204 Ca 0.52 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 3g1s h SER 204 Cb 1.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 3g1s h SER 204 CO -0.75 0.00 -0.63 -0.38 -0.53 0.00 0.00 176.83 174.54 3g1s n ILE 205 N -3.44 1.30 0.35 2.23 5.41 0.95 -4.38 119.36 121.79 3g1s n ILE 205 Ca 0.11 0.23 0.13 0.00 1.00 0.00 0.00 62.75 64.22 3g1s n ILE 205 Cb 0.87 -2.05 0.55 0.00 -0.71 0.00 0.00 39.64 38.30 3g1s n ILE 205 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 176.55 176.65 3g1s h TYR 206 N -0.63 0.00 0.00 1.39 -0.00 -1.32 -2.99 116.97 113.42 3g1s h TYR 206 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3g1s h TYR 206 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.36 3g1s h TYR 206 CO -0.27 0.00 -1.30 1.28 -0.00 0.00 0.00 178.16 177.87 3g1s n LEU 207 N -2.40 0.48 -4.70 0.10 4.77 -0.53 -4.93 117.00 109.79 3g1s n LEU 207 Ca 0.01 -0.28 -0.33 0.00 -0.03 0.00 0.00 56.01 55.38 3g1s n LEU 207 Cb 0.22 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.43 3g1s n LEU 207 CO 0.20 0.12 0.77 0.00 -1.33 0.00 0.00 177.39 177.15 3g1s s ALA 208 N -2.98 1.88 0.41 -1.18 0.00 -1.13 -4.87 121.76 113.90 3g1s s ALA 208 Ca 0.01 0.81 0.15 0.00 0.00 0.00 0.00 51.96 52.93 3g1s s ALA 208 Cb 0.13 -3.48 1.01 0.00 0.00 0.00 0.00 23.12 20.79 3g1s s ALA 208 CO 0.76 -2.23 1.91 -0.44 0.00 0.00 0.00 175.76 175.76 3g1s h ASP 209 N -0.86 0.43 -2.84 0.00 5.19 -1.94 -3.34 116.42 113.06 3g1s h ASP 209 Ca -0.46 0.03 -0.50 0.00 -0.62 0.00 0.00 57.03 55.48 3g1s h ASP 209 Cb 1.29 -0.06 -0.40 0.00 0.18 0.00 0.00 39.33 40.34 3g1s h ASP 209 CO 0.47 0.22 -0.76 0.21 -3.12 0.00 0.00 179.24 176.26 3g1s s ASN 210 N -5.92 3.05 0.36 6.45 2.47 -1.26 -5.02 114.94 115.07 3g1s s ASN 210 Ca -0.08 -1.04 0.05 0.00 0.42 0.00 0.00 52.86 52.21 3g1s s ASN 210 Cb 0.21 -0.26 0.72 0.00 -1.45 0.00 0.00 41.25 40.47 3g1s s ASN 210 CO 0.77 -0.41 1.98 1.55 -3.72 0.00 0.00 177.10 177.27 3g1s h PRO 211 N 8.40 0.75 0.38 0.43 0.13 -1.69 -2.11 132.00 138.30 3g1s h PRO 211 Ca -0.18 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 3g1s h PRO 211 Cb 1.06 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3g1s h PRO 211 CO 0.39 0.50 -0.19 0.00 -0.23 0.00 0.00 178.00 178.46 3g1s h ALA 212 N 1.61 -0.52 -0.77 -0.56 0.00 -1.87 0.73 119.26 117.88 3g1s h ALA 212 Ca 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3g1s h ALA 212 Cb 0.14 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3g1s h ALA 212 CO -0.08 -0.80 0.44 0.00 0.00 0.00 0.00 179.25 178.81 3g1s h ALA 213 N 0.10 1.33 -0.40 0.00 0.00 -1.90 0.18 119.26 118.58 3g1s h ALA 213 Ca -0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3g1s h ALA 213 Cb 0.41 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3g1s h ALA 213 CO 0.08 0.56 0.18 0.00 0.00 0.00 0.00 179.25 180.07 3g1s h ALA 214 N 1.42 0.51 -0.29 0.00 0.00 -1.07 0.98 119.26 120.81 3g1s h ALA 214 Ca 0.27 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3g1s h ALA 214 Cb -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3g1s h ALA 214 CO -0.05 0.08 -0.29 0.00 0.00 0.00 0.00 179.25 178.99 3g1s h ALA 215 N 1.03 0.43 -0.78 0.00 0.00 -0.44 -2.50 119.26 117.00 3g1s h ALA 215 Ca 0.13 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3g1s h ALA 215 Cb 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3g1s h ALA 215 CO -0.02 0.45 0.50 0.00 0.00 0.00 0.00 179.25 180.18 3g1s h ALA 216 N 0.71 0.99 -0.56 0.00 0.00 -0.49 -2.00 119.26 117.91 3g1s h ALA 216 Ca 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3g1s h ALA 216 Cb 0.86 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3g1s h ALA 216 CO 0.07 0.42 0.21 0.78 0.00 0.00 0.00 179.25 180.74 3g1s h GLY 217 N 1.06 0.92 0.95 0.00 0.00 -0.74 -1.76 103.07 103.50 3g1s h GLY 217 Ca 0.28 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 47.10 3g1s h GLY 217 CO -0.06 0.48 0.01 -2.22 0.00 0.00 0.00 176.54 174.76 3g1s h ILE 218 N 0.78 0.98 -0.84 2.60 2.04 -1.08 -2.64 117.51 119.35 3g1s h ILE 218 Ca 0.19 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 3g1s h ILE 218 Cb 0.23 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3g1s h ILE 218 CO -0.01 0.01 0.48 0.40 0.00 0.00 0.00 178.15 179.02 3g1s h ILE 219 N 0.04 1.24 -0.62 -0.67 2.04 -1.28 -2.27 117.51 116.00 3g1s h ILE 219 Ca 0.02 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.37 3g1s h ILE 219 Cb 0.01 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.15 3g1s h ILE 219 CO -0.03 0.26 0.41 -0.33 0.00 0.00 0.00 178.15 178.46 3g1s h GLU 220 N 1.16 0.60 0.00 2.37 5.08 -1.09 0.14 114.58 122.85 3g1s h GLU 220 Ca 0.30 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 3g1s h GLU 220 Cb -0.00 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 3g1s h GLU 220 CO -0.05 0.40 -0.04 0.77 -1.00 0.00 0.00 179.01 179.09 3g1s h SER 221 N 0.62 0.00 -0.01 1.42 0.02 -1.06 -3.52 113.55 111.03 3g1s h SER 221 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3g1s h SER 221 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3g1s h SER 221 CO -0.08 0.04 0.00 -0.38 -1.14 0.00 0.00 176.83 175.27