#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m41 h VAL 6 N 0.00 1.23 -0.09 1.55 3.04 -1.98 -3.11 116.25 116.88 3m41 h VAL 6 Ca 0.00 -0.93 0.00 0.00 -1.01 0.00 0.00 66.70 64.76 3m41 h VAL 6 Cb 0.00 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 3m41 h VAL 6 CO 0.00 0.32 0.00 -0.90 -1.01 0.00 0.00 177.57 175.98 3m41 n ASP 7 N -4.23 1.23 -4.52 3.17 5.75 -1.26 -4.81 116.55 111.88 3m41 n ASP 7 Ca 0.02 -1.57 -0.25 0.00 -0.01 0.00 0.00 54.79 52.98 3m41 n ASP 7 Cb 0.28 -0.06 -0.10 0.00 -1.03 0.00 0.00 41.12 40.21 3m41 n ASP 7 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3m41 s VAL 8 N -1.88 2.36 0.42 2.12 -7.23 -1.18 -5.11 120.40 109.90 3m41 s VAL 8 Ca 0.34 -2.28 -0.27 0.00 -1.81 0.00 0.00 61.98 57.96 3m41 s VAL 8 Cb 0.18 -2.51 -0.10 0.00 0.56 0.00 0.00 36.38 34.51 3m41 s VAL 8 CO 0.28 -0.29 1.47 1.15 -0.31 0.00 0.00 175.10 177.40 3m41 n MET 9 N -0.73 2.47 -3.11 4.82 0.00 -1.26 -4.85 117.12 114.46 3m41 n MET 9 Ca -0.05 0.87 -0.41 0.00 0.00 0.00 0.00 57.70 58.12 3m41 n MET 9 Cb 0.62 -2.66 -0.06 0.00 0.00 0.00 0.00 33.22 31.12 3m41 n MET 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3m41 s ASP 10 N -0.30 6.55 -0.26 3.17 -0.00 -1.26 -4.99 116.67 119.58 3m41 s ASP 10 Ca 0.57 0.61 -0.08 0.00 -0.00 0.00 0.00 52.55 53.65 3m41 s ASP 10 Cb -0.46 -2.33 -0.03 0.00 -0.00 0.00 0.00 42.92 40.09 3m41 s ASP 10 CO 0.61 -0.41 0.10 -0.69 -0.00 0.00 0.00 175.17 174.78 3m41 s VAL 11 N 2.54 4.57 0.23 -1.27 1.01 -1.26 -5.01 120.40 121.20 3m41 s VAL 11 Ca 0.26 -0.09 -0.32 0.00 0.00 0.00 0.00 61.98 61.83 3m41 s VAL 11 Cb -0.15 -3.15 -0.12 0.00 0.00 0.00 0.00 36.38 32.96 3m41 s VAL 11 CO 0.10 0.31 1.71 0.80 0.00 0.00 0.00 175.10 178.02 3m41 n MET 12 N 4.96 2.79 -1.08 2.72 1.56 -1.26 -1.60 117.12 125.21 3m41 n MET 12 Ca -0.16 1.00 -0.04 0.00 -0.27 0.00 0.00 57.70 58.24 3m41 n MET 12 Cb 0.51 -2.84 -0.02 0.00 2.15 0.00 0.00 33.22 33.03 3m41 n MET 12 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3m41 n ASN 13 N 3.66 -5.72 -2.40 6.12 3.02 -1.26 -2.82 115.26 115.86 3m41 n ASN 13 Ca 0.15 0.09 -0.17 0.00 -0.03 0.00 0.00 54.58 54.62 3m41 n ASN 13 Cb 0.35 -3.63 -0.01 0.00 -0.61 0.00 0.00 39.78 35.88 3m41 n ASN 13 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3m41 n ARG 14 N 0.39 -1.93 -3.92 3.52 1.74 -0.63 -4.96 116.66 110.88 3m41 n ARG 14 Ca -0.04 0.82 -0.28 0.00 -0.77 0.00 0.00 57.85 57.58 3m41 n ARG 14 Cb 0.52 -5.45 -0.17 0.00 -1.02 0.00 0.00 32.46 26.34 3m41 n ARG 14 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3m41 s LEU 15 N -5.81 1.58 -0.21 0.55 2.96 -1.13 -1.12 118.68 115.50 3m41 s LEU 15 Ca 0.00 -0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 3m41 s LEU 15 Cb 0.00 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 3m41 s LEU 15 CO 0.00 -0.15 0.09 -0.63 -1.32 0.00 0.00 176.35 174.34 3m41 s ILE 16 N 1.61 4.81 -0.25 6.68 1.01 0.46 -4.62 121.20 130.90 3m41 s ILE 16 Ca 0.02 -0.02 -0.28 0.00 0.00 0.00 0.00 60.65 60.38 3m41 s ILE 16 Cb -0.14 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.12 3m41 s ILE 16 CO -0.08 0.40 0.98 -0.22 0.00 0.00 0.00 174.94 176.02 3m41 s LEU 17 N 0.87 4.07 -0.84 2.97 2.96 -0.92 -0.85 118.68 126.95 3m41 s LEU 17 Ca 0.05 1.23 -0.23 0.00 -0.22 0.00 0.00 54.13 54.95 3m41 s LEU 17 Cb -0.13 -3.44 0.07 0.00 0.50 0.00 0.00 46.19 43.18 3m41 s LEU 17 CO 0.03 -0.66 1.22 0.00 -1.32 0.00 0.00 176.35 175.62 3m41 s ALA 18 N 3.17 2.95 -1.05 5.97 0.00 0.19 -0.45 121.76 132.54 3m41 s ALA 18 Ca 0.42 -2.01 -0.18 0.00 0.00 0.00 0.00 51.96 50.19 3m41 s ALA 18 Cb -0.15 -4.20 0.13 0.00 0.00 0.00 0.00 23.12 18.91 3m41 s ALA 18 CO 0.08 -3.20 1.30 1.41 0.00 0.00 0.00 175.76 175.35 3m41 s MET 19 N 4.51 3.78 0.00 0.00 1.75 -0.31 -4.40 119.30 124.63 3m41 s MET 19 Ca 0.34 -1.98 0.23 0.00 -1.25 0.00 0.00 55.69 53.04 3m41 s MET 19 Cb -0.07 -5.05 0.48 0.00 2.84 0.00 0.00 34.83 33.03 3m41 s MET 19 CO 0.02 -1.85 1.44 -0.25 -0.65 0.00 0.00 175.02 173.73 3m41 n ASP 20 N 6.61 3.49 -4.75 1.11 10.43 -1.26 -4.52 116.55 127.66 3m41 n ASP 20 Ca 0.31 -1.99 -0.37 0.00 2.57 0.00 0.00 54.79 55.31 3m41 n ASP 20 Cb 0.47 -0.29 0.04 0.00 1.84 0.00 0.00 41.12 43.17 3m41 n ASP 20 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3m41 s LEU 21 N -1.40 3.73 0.00 0.64 1.43 -1.26 -4.83 118.68 116.99 3m41 s LEU 21 Ca 0.41 2.50 0.16 0.00 -1.03 0.00 0.00 54.13 56.17 3m41 s LEU 21 Cb 0.23 -4.49 -0.05 0.00 0.03 0.00 0.00 46.19 41.91 3m41 s LEU 21 CO 0.32 -1.58 0.81 0.23 0.23 0.00 0.00 176.35 176.36 3m41 n MET 22 N -1.40 1.72 -4.66 1.70 2.81 -1.26 -4.39 117.12 111.64 3m41 n MET 22 Ca 0.13 -0.60 -0.33 0.00 -1.81 0.00 0.00 57.70 55.08 3m41 n MET 22 Cb 0.48 -1.27 -0.12 0.00 -0.71 0.00 0.00 33.22 31.61 3m41 n MET 22 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3m41 s ASN 23 N -2.06 4.48 0.19 7.83 4.22 -1.26 -4.64 114.94 123.70 3m41 s ASN 23 Ca 0.11 -0.09 -0.12 0.00 -2.14 0.00 0.00 52.86 50.62 3m41 s ASN 23 Cb 0.13 -1.06 0.11 0.00 1.28 0.00 0.00 41.25 41.70 3m41 s ASN 23 CO 0.47 0.34 1.85 -0.09 -2.04 0.00 0.00 177.10 177.63 3m41 h ARG 24 N 5.12 0.85 0.14 3.55 2.43 -1.93 -1.12 114.38 123.41 3m41 h ARG 24 Ca -0.48 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3m41 h ARG 24 Cb 1.17 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 3m41 h ARG 24 CO 0.52 0.58 -0.11 -0.44 -1.51 0.00 0.00 179.97 179.00 3m41 h ASP 25 N 0.86 -0.29 -0.44 -3.80 3.32 -1.99 -0.61 116.42 113.47 3m41 h ASP 25 Ca 0.23 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 3m41 h ASP 25 Cb -0.07 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3m41 h ASP 25 CO -0.05 -0.18 0.18 0.44 -1.72 0.00 0.00 179.24 177.91 3m41 h ASP 26 N -0.27 0.60 -0.43 6.45 3.32 -1.95 0.91 116.42 125.06 3m41 h ASP 26 Ca -0.00 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3m41 h ASP 26 Cb 0.24 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3m41 h ASP 26 CO -0.01 0.60 0.25 0.00 -1.72 0.00 0.00 179.24 178.35 3m41 h ALA 27 N 1.03 0.54 -0.44 3.45 0.00 -1.06 0.27 119.26 123.05 3m41 h ALA 27 Ca 0.15 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3m41 h ALA 27 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3m41 h ALA 27 CO -0.01 0.05 -0.19 -0.07 0.00 0.00 0.00 179.25 179.03 3m41 h LEU 28 N 0.56 0.92 0.16 0.00 3.38 -1.03 -2.07 115.31 117.23 3m41 h LEU 28 Ca 0.15 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3m41 h LEU 28 Cb 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3m41 h LEU 28 CO -0.03 1.11 -0.08 -0.09 0.09 0.00 0.00 178.44 179.45 3m41 h ARG 29 N 0.73 -0.21 -0.46 1.13 2.43 -0.47 -1.28 114.38 116.26 3m41 h ARG 29 Ca 0.10 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 3m41 h ARG 29 Cb 0.76 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 3m41 h ARG 29 CO 0.06 0.12 -0.03 0.28 -1.51 0.00 0.00 179.97 178.89 3m41 h VAL 30 N -0.56 1.24 -0.69 0.20 2.07 -0.57 -1.76 116.25 116.18 3m41 h VAL 30 Ca -0.02 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 3m41 h VAL 30 Cb 0.42 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3m41 h VAL 30 CO 0.04 0.36 0.30 0.74 0.02 0.00 0.00 177.57 179.03 3m41 h THR 31 N 0.72 1.23 -0.79 2.57 2.02 -1.38 -2.52 112.91 114.76 3m41 h THR 31 Ca 0.14 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 3m41 h THR 31 Cb 0.48 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 3m41 h THR 31 CO 0.02 0.29 0.44 1.23 0.37 0.00 0.00 175.52 177.87 3m41 h GLY 32 N 1.06 1.18 2.00 2.16 0.00 -0.41 -1.39 103.07 107.67 3m41 h GLY 32 Ca 0.24 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3m41 h GLY 32 CO -0.02 0.51 -0.05 0.83 0.00 0.00 0.00 176.54 177.80 3m41 h GLU 33 N 1.09 0.00 -0.13 4.80 5.08 -0.90 -2.54 114.58 121.98 3m41 h GLU 33 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3m41 h GLU 33 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3m41 h GLU 33 CO -0.05 0.05 0.00 1.33 -1.00 0.00 0.00 179.01 179.35 3m41 n VAL 34 N -3.83 1.64 0.27 3.13 0.24 -0.95 -4.23 118.33 114.60 3m41 n VAL 34 Ca -0.03 -1.66 0.11 0.00 -2.04 0.00 0.00 64.34 60.73 3m41 n VAL 34 Cb 0.14 0.05 0.75 0.00 -1.47 0.00 0.00 33.84 33.32 3m41 n VAL 34 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 3m41 h ARG 35 N 0.85 0.00 0.00 7.34 0.11 -0.82 -2.56 114.38 119.31 3m41 h ARG 35 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3m41 h ARG 35 Cb 0.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.04 3m41 h ARG 35 CO 0.06 0.03 0.00 -0.85 0.10 0.00 0.00 179.97 179.31 3m41 n GLU 36 N -4.16 0.23 0.00 0.08 0.28 -1.26 -3.52 120.64 112.29 3m41 n GLU 36 Ca -0.03 0.30 0.08 0.00 -0.16 0.00 0.00 57.16 57.36 3m41 n GLU 36 Cb 0.11 -1.83 -0.09 0.00 1.43 0.00 0.00 31.44 31.05 3m41 n GLU 36 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3m41 n TYR 37 N -2.25 0.00 -3.87 -1.84 4.01 -0.96 -4.98 117.16 107.28 3m41 n TYR 37 Ca 0.04 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.67 3m41 n TYR 37 Cb 0.34 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.25 3m41 n TYR 37 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 3m41 s ILE 38 N -2.62 0.03 0.00 -0.72 -5.25 -1.23 -4.66 121.20 106.75 3m41 s ILE 38 Ca 0.07 -0.28 0.00 0.00 -0.99 0.00 0.00 60.65 59.45 3m41 s ILE 38 Cb 0.13 -0.22 0.00 0.00 2.95 0.00 0.00 42.46 45.32 3m41 s ILE 38 CO 0.71 -0.15 0.74 -0.90 -1.79 0.00 0.00 174.94 173.55 3m41 n ASP 39 N 2.49 1.47 -3.84 4.36 5.75 -1.26 -4.85 116.55 120.66 3m41 n ASP 39 Ca -0.16 -1.50 -0.23 0.00 -0.01 0.00 0.00 54.79 52.89 3m41 n ASP 39 Cb 0.58 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.50 3m41 n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3m41 s THR 40 N -0.50 0.60 -0.06 2.12 2.01 -1.26 -0.27 115.64 118.28 3m41 s THR 40 Ca 0.00 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 61.98 3m41 s THR 40 Cb 0.00 -0.68 -0.00 0.00 0.01 0.00 0.00 72.50 71.83 3m41 s THR 40 CO 0.00 0.28 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.33 3m41 s VAL 41 N 1.60 1.59 -0.21 3.82 1.01 -0.19 -2.17 120.40 125.85 3m41 s VAL 41 Ca 0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 3m41 s VAL 41 Cb -0.13 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 3m41 s VAL 41 CO -0.04 0.45 0.12 -0.75 0.00 0.00 0.00 175.10 174.88 3m41 s LYS 42 N 0.16 4.10 0.11 2.72 2.20 0.41 -1.23 119.74 128.20 3m41 s LYS 42 Ca -0.08 -0.27 0.09 0.00 -0.36 0.00 0.00 55.97 55.35 3m41 s LYS 42 Cb -0.14 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 3m41 s LYS 42 CO 0.04 0.21 -0.21 0.96 -0.36 0.00 0.00 175.35 175.99 3m41 s ILE 43 N 0.60 1.78 0.25 5.43 -5.25 -0.52 -1.16 121.20 122.33 3m41 s ILE 43 Ca 0.07 -1.61 0.01 0.00 -0.99 0.00 0.00 60.65 58.13 3m41 s ILE 43 Cb -0.12 -1.63 -0.00 0.00 2.95 0.00 0.00 42.46 43.65 3m41 s ILE 43 CO 0.01 -0.07 0.04 0.61 -1.79 0.00 0.00 174.94 173.73 3m41 n GLY 44 N 0.98 3.74 0.34 6.27 0.00 -1.26 0.04 105.19 115.30 3m41 n GLY 44 Ca -0.19 -2.16 -0.01 0.00 0.00 0.00 0.00 46.02 43.66 3m41 n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3m41 h TYR 45 N 1.26 1.00 -0.78 1.61 0.99 -1.96 -2.81 116.97 116.28 3m41 h TYR 45 Ca -0.20 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.59 3m41 h TYR 45 Cb 0.69 -0.33 -0.06 0.00 1.00 0.00 0.00 36.73 38.03 3m41 h TYR 45 CO 0.00 0.69 0.45 -1.35 -0.00 0.00 0.00 178.16 177.95 3m41 h PRO 46 N 1.04 0.77 0.01 4.88 0.11 -1.95 0.23 132.00 137.10 3m41 h PRO 46 Ca 0.27 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 3m41 h PRO 46 Cb 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.94 3m41 h PRO 46 CO -0.05 0.51 -0.00 1.25 -0.21 0.00 0.00 178.00 179.50 3m41 h LEU 47 N 0.80 -0.01 -0.84 2.35 5.85 -1.73 -2.57 115.31 119.15 3m41 h LEU 47 Ca 0.36 -0.38 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 3m41 h LEU 47 Cb 0.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3m41 h LEU 47 CO -0.21 0.37 -0.53 -0.37 -0.34 0.00 0.00 178.44 177.37 3m41 h VAL 48 N -0.39 1.37 -0.13 1.05 -1.51 -1.22 -0.34 116.25 115.08 3m41 h VAL 48 Ca -0.00 -1.81 -0.15 0.00 -1.23 0.00 0.00 66.70 63.51 3m41 h VAL 48 Cb 0.39 1.92 -0.01 0.00 -2.13 0.00 0.00 31.29 31.46 3m41 h VAL 48 CO 0.00 0.53 -0.57 -0.07 -1.23 0.00 0.00 177.57 176.23 3m41 h LEU 49 N 0.11 0.45 -0.14 4.19 3.38 -0.61 0.21 115.31 122.90 3m41 h LEU 49 Ca 0.00 -0.25 -0.24 0.00 0.09 0.00 0.00 57.88 57.49 3m41 h LEU 49 Cb 0.97 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.60 3m41 h LEU 49 CO 0.08 0.92 -0.93 0.28 0.09 0.00 0.00 178.44 178.88 3m41 h SER 50 N 0.31 0.73 0.00 -0.43 0.02 -1.16 -3.38 113.55 109.64 3m41 h SER 50 Ca 0.00 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 3m41 h SER 50 Cb 1.09 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.41 3m41 h SER 50 CO 0.10 1.35 -0.59 -0.62 -1.14 0.00 0.00 176.83 175.93 3m41 n GLU 51 N -3.83 3.52 0.00 3.45 -0.58 -0.16 -5.06 120.64 117.98 3m41 n GLU 51 Ca -0.08 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 3m41 n GLU 51 Cb 0.82 -0.91 0.00 0.00 -0.57 0.00 0.00 31.44 30.78 3m41 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m41 n GLY 52 N 1.42 1.97 0.25 0.62 0.00 0.73 -4.71 105.19 105.47 3m41 n GLY 52 Ca 0.01 -1.71 0.17 0.00 0.00 0.00 0.00 46.02 44.48 3m41 n GLY 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3m41 h MET 53 N 0.00 0.00 -0.00 1.61 2.86 -1.94 -2.39 114.93 115.07 3m41 h MET 53 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3m41 h MET 53 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3m41 h MET 53 CO 0.00 0.00 0.04 -0.44 1.06 0.00 0.00 176.91 177.57 3m41 h ASP 54 N 0.00 0.00 0.30 1.22 3.32 -1.92 -1.94 116.42 117.41 3m41 h ASP 54 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3m41 h ASP 54 Cb 0.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3m41 h ASP 54 CO 0.00 0.00 -0.09 -0.29 -1.72 0.00 0.00 179.24 177.14 3m41 h ILE 55 N 0.00 0.51 0.17 0.35 2.10 -1.71 -2.69 117.51 116.24 3m41 h ILE 55 Ca 0.00 -0.41 -0.01 0.00 1.08 0.00 0.00 64.86 65.52 3m41 h ILE 55 Cb 0.08 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 3m41 h ILE 55 CO -0.00 0.09 -0.08 0.40 -1.08 0.00 0.00 178.15 177.48 3m41 h ILE 56 N 0.00 0.91 -0.78 2.19 2.04 -1.59 -1.65 117.51 118.62 3m41 h ILE 56 Ca -0.00 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.59 3m41 h ILE 56 Cb 0.26 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 3m41 h ILE 56 CO 0.01 0.07 0.52 0.00 0.00 0.00 0.00 178.15 178.75 3m41 h ALA 57 N 0.44 1.54 -0.25 1.87 0.00 -1.56 -2.48 119.26 118.82 3m41 h ALA 57 Ca -0.02 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3m41 h ALA 57 Cb 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3m41 h ALA 57 CO 0.04 0.37 0.07 0.93 0.00 0.00 0.00 179.25 180.66 3m41 h GLU 58 N 0.95 0.17 -0.12 0.00 5.08 -1.15 -1.27 114.58 118.24 3m41 h GLU 58 Ca 0.32 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.68 3m41 h GLU 58 Cb 0.07 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3m41 h GLU 58 CO -0.09 0.12 0.01 0.74 -1.00 0.00 0.00 179.01 178.78 3m41 h PHE 59 N 0.18 0.02 -0.59 4.33 -1.00 -0.94 0.20 116.94 119.13 3m41 h PHE 59 Ca 0.11 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.86 3m41 h PHE 59 Cb 0.09 0.01 -0.03 0.00 3.61 0.00 0.00 35.95 39.63 3m41 h PHE 59 CO -0.14 -0.00 0.23 0.00 -1.61 0.00 0.00 178.31 176.79 3m41 h ARG 60 N 0.06 0.86 0.11 1.51 3.08 -1.20 -0.61 114.38 118.19 3m41 h ARG 60 Ca 0.05 -0.14 -0.23 0.00 0.07 0.00 0.00 59.98 59.73 3m41 h ARG 60 Cb 0.06 -0.15 0.02 0.00 0.08 0.00 0.00 29.97 29.98 3m41 h ARG 60 CO -0.08 0.71 -0.98 -0.22 -1.07 0.00 0.00 179.97 178.32 3m41 h LYS 61 N 0.85 0.47 -0.03 0.04 3.64 -1.08 -0.14 116.57 120.32 3m41 h LYS 61 Ca 0.20 -0.66 -0.18 0.00 -1.27 0.00 0.00 60.65 58.75 3m41 h LYS 61 Cb 0.17 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3m41 h LYS 61 CO -0.02 1.28 -0.76 0.00 -2.27 0.00 0.00 179.45 177.69 3m41 h ARG 62 N -0.02 0.24 0.00 1.90 3.08 -0.83 -3.36 114.38 115.39 3m41 h ARG 62 Ca -0.15 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3m41 h ARG 62 Cb 1.71 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.81 3m41 h ARG 62 CO 0.19 0.89 -0.52 1.19 -1.07 0.00 0.00 179.97 180.64 3m41 n PHE 63 N -3.76 0.00 -1.63 3.04 3.01 -0.25 -5.00 117.46 112.87 3m41 n PHE 63 Ca -0.03 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.32 3m41 n PHE 63 Cb 0.72 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 40.13 3m41 n PHE 63 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3m41 n GLY 64 N 1.41 0.78 3.93 1.37 0.00 -0.07 -5.00 105.19 107.61 3m41 n GLY 64 Ca 0.00 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 3m41 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m41 s ARG 66 N -3.69 4.24 -0.14 0.00 3.52 0.63 -4.40 118.95 119.11 3m41 s ARG 66 Ca 0.39 1.69 0.02 0.00 -0.13 0.00 0.00 55.73 57.70 3m41 s ARG 66 Cb -0.10 -2.74 0.00 0.00 -1.56 0.00 0.00 34.95 30.55 3m41 s ARG 66 CO 0.31 -0.12 -0.20 0.42 -0.81 0.00 0.00 175.30 174.90 3m41 s ILE 67 N -1.46 2.26 -0.26 4.11 -1.09 -1.26 -1.02 121.20 122.48 3m41 s ILE 67 Ca 0.54 -0.92 -0.08 0.00 -2.23 0.00 0.00 60.65 57.97 3m41 s ILE 67 Cb -0.27 -1.91 -0.03 0.00 -1.58 0.00 0.00 42.46 38.67 3m41 s ILE 67 CO 0.34 0.54 0.09 -0.63 -1.23 0.00 0.00 174.94 174.05 3m41 s ILE 68 N 0.74 4.42 -0.51 2.92 1.01 -0.37 -1.12 121.20 128.30 3m41 s ILE 68 Ca -0.08 -0.15 -0.25 0.00 0.00 0.00 0.00 60.65 60.17 3m41 s ILE 68 Cb -0.16 -3.08 0.03 0.00 0.01 0.00 0.00 42.46 39.26 3m41 s ILE 68 CO 0.00 0.32 0.92 0.00 0.00 0.00 0.00 174.94 176.18 3m41 s ALA 69 N 1.63 3.20 -1.28 9.38 0.00 0.57 -1.44 121.76 133.82 3m41 s ALA 69 Ca 0.06 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 50.85 3m41 s ALA 69 Cb -0.15 -3.68 0.14 0.00 0.00 0.00 0.00 23.12 19.43 3m41 s ALA 69 CO 0.04 -2.22 1.70 -3.47 0.00 0.00 0.00 175.76 171.82 3m41 n ASP 70 N 7.29 4.98 -0.63 0.00 -0.08 0.11 -1.20 116.55 127.02 3m41 n ASP 70 Ca 0.04 -2.99 0.10 0.00 -1.51 0.00 0.00 54.79 50.42 3m41 n ASP 70 Cb 0.48 -1.59 0.05 0.00 2.34 0.00 0.00 41.12 42.40 3m41 n ASP 70 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3m41 n PHE 71 N 5.71 0.00 -4.17 -0.67 0.99 -1.25 -4.19 117.46 113.88 3m41 n PHE 71 Ca 0.42 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.49 3m41 n PHE 71 Cb 0.41 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.85 3m41 n PHE 71 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3m41 n LYS 72 N 0.60 -0.78 -1.69 -1.08 5.02 -0.56 -4.74 118.16 114.94 3m41 n LYS 72 Ca 0.10 0.11 -0.44 0.00 -2.02 0.00 0.00 58.31 56.06 3m41 n LYS 72 Cb 0.45 -3.17 -0.04 0.00 -0.02 0.00 0.00 35.03 32.25 3m41 n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3m41 n VAL 73 N -4.79 0.25 -2.71 -0.18 0.31 -0.91 -4.40 118.33 105.91 3m41 n VAL 73 Ca -0.22 -0.05 -0.05 0.00 -0.01 0.00 0.00 64.34 64.01 3m41 n VAL 73 Cb 0.63 -1.92 0.08 0.00 -0.91 0.00 0.00 33.84 31.72 3m41 n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3m41 n ALA 74 N 5.00 2.49 -4.08 3.52 0.00 -1.26 -0.90 120.51 125.28 3m41 n ALA 74 Ca 0.18 -2.09 -0.08 0.00 0.00 0.00 0.00 53.44 51.45 3m41 n ALA 74 Cb 0.34 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 3m41 n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3m41 n ASP 75 N -0.62 2.18 -4.75 0.00 -0.08 -1.26 -4.96 116.55 107.05 3m41 n ASP 75 Ca -0.00 -1.54 -0.31 0.00 -1.51 0.00 0.00 54.79 51.43 3m41 n ASP 75 Cb 0.84 0.07 0.11 0.00 2.34 0.00 0.00 41.12 44.47 3m41 n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3m41 s ILE 76 N -1.31 3.10 0.19 5.18 -4.36 -1.26 -4.71 121.20 118.03 3m41 s ILE 76 Ca 0.01 0.36 -0.13 0.00 -0.26 0.00 0.00 60.65 60.63 3m41 s ILE 76 Cb -0.00 -2.84 0.12 0.00 1.25 0.00 0.00 42.46 40.99 3m41 s ILE 76 CO 0.01 -0.47 1.69 -0.65 0.24 0.00 0.00 174.94 175.77 3m41 h PRO 77 N -1.27 0.15 -0.77 0.37 0.11 -1.88 0.26 132.00 128.98 3m41 h PRO 77 Ca -0.45 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3m41 h PRO 77 Cb 1.25 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3m41 h PRO 77 CO 0.52 0.10 0.36 1.49 -0.21 0.00 0.00 178.00 180.26 3m41 h GLU 78 N 0.15 1.12 -0.33 1.05 4.81 -1.94 -0.60 114.58 118.83 3m41 h GLU 78 Ca 0.25 -0.17 -0.17 0.00 -0.13 0.00 0.00 59.36 59.14 3m41 h GLU 78 Cb 0.37 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3m41 h GLU 78 CO -0.39 0.88 -0.45 1.15 -0.73 0.00 0.00 179.01 179.47 3m41 h THR 79 N 1.09 1.28 -0.76 0.32 2.02 -1.83 -2.68 112.91 112.34 3m41 h THR 79 Ca 0.26 -1.63 0.08 0.00 0.77 0.00 0.00 66.41 65.90 3m41 h THR 79 Cb 0.14 1.52 -0.07 0.00 -1.74 0.00 0.00 68.15 68.00 3m41 h THR 79 CO -0.03 0.54 0.43 0.78 0.37 0.00 0.00 175.52 177.60 3m41 h ASN 80 N 0.68 0.61 -0.37 4.18 4.21 -0.47 -0.57 115.58 123.86 3m41 h ASN 80 Ca 0.04 0.04 0.06 0.00 1.21 0.00 0.00 56.30 57.65 3m41 h ASN 80 Cb 1.05 -0.07 -0.05 0.00 -1.12 0.00 0.00 38.32 38.12 3m41 h ASN 80 CO 0.11 0.37 0.04 -0.33 -1.29 0.00 0.00 177.43 176.32 3m41 h GLU 81 N 0.74 0.15 -0.54 0.81 5.08 -0.93 -0.80 114.58 119.10 3m41 h GLU 81 Ca 0.36 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.60 3m41 h GLU 81 Cb 0.30 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3m41 h GLU 81 CO -0.23 0.10 -0.10 0.87 -1.00 0.00 0.00 179.01 178.65 3m41 h LYS 82 N 0.15 1.00 -0.22 2.33 1.57 -1.04 0.03 116.57 120.39 3m41 h LYS 82 Ca 0.18 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3m41 h LYS 82 Cb 0.22 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3m41 h LYS 82 CO -0.26 1.04 0.10 0.82 -0.57 0.00 0.00 179.45 180.57 3m41 h ILE 83 N 0.89 1.16 -0.47 1.86 2.04 -0.91 -1.27 117.51 120.80 3m41 h ILE 83 Ca 0.14 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3m41 h ILE 83 Cb 0.65 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3m41 h ILE 83 CO 0.05 0.15 0.27 0.00 0.00 0.00 0.00 178.15 178.62 3m41 h ARG 85 N 0.62 0.56 -0.90 0.00 2.43 -0.86 0.33 114.38 116.56 3m41 h ARG 85 Ca 0.17 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3m41 h ARG 85 Cb 0.02 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 3m41 h ARG 85 CO -0.03 0.47 0.51 0.00 -1.51 0.00 0.00 179.97 179.41 3m41 h ALA 86 N 1.07 1.21 -0.29 2.80 0.00 -1.08 0.12 119.26 123.08 3m41 h ALA 86 Ca 0.14 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3m41 h ALA 86 Cb 0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3m41 h ALA 86 CO -0.02 0.65 -0.42 1.15 0.00 0.00 0.00 179.25 180.61 3m41 h THR 87 N 1.26 1.29 -0.27 0.00 2.02 -0.76 -1.79 112.91 114.66 3m41 h THR 87 Ca 0.32 -1.61 -0.15 0.00 0.77 0.00 0.00 66.41 65.74 3m41 h THR 87 Cb -0.01 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3m41 h THR 87 CO -0.06 0.52 -0.44 -0.26 0.37 0.00 0.00 175.52 175.65 3m41 h PHE 88 N 0.56 0.83 -0.64 3.16 0.04 -0.78 -2.45 116.94 117.67 3m41 h PHE 88 Ca 0.03 -0.26 0.01 0.00 2.80 0.00 0.00 57.97 60.55 3m41 h PHE 88 Cb 1.02 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.97 3m41 h PHE 88 CO 0.07 1.01 0.42 -0.22 -0.60 0.00 0.00 178.31 179.00 3m41 h LYS 89 N 0.55 0.84 0.00 1.51 3.64 -0.65 0.16 116.57 122.62 3m41 h LYS 89 Ca 0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3m41 h LYS 89 Cb 0.99 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3m41 h LYS 89 CO 0.09 0.55 0.00 0.00 -2.27 0.00 0.00 179.45 177.83 3m41 n ALA 90 N -2.44 2.06 0.00 5.00 0.00 -0.68 -4.88 120.51 119.57 3m41 n ALA 90 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3m41 n ALA 90 Cb 0.04 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3m41 n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m41 n GLY 91 N 0.44 0.74 3.77 0.00 0.00 0.04 -3.64 105.19 106.54 3m41 n GLY 91 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3m41 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m41 s ALA 92 N -2.00 3.64 0.08 4.61 0.00 -0.94 -4.84 121.76 122.31 3m41 s ALA 92 Ca 0.00 1.59 0.08 0.00 0.00 0.00 0.00 51.96 53.63 3m41 s ALA 92 Cb 0.00 -3.63 -0.15 0.00 0.00 0.00 0.00 23.12 19.35 3m41 s ALA 92 CO 0.00 -1.05 1.32 -0.44 0.00 0.00 0.00 175.76 175.59 3m41 h ASP 93 N 3.63 0.00 -5.11 0.00 3.32 -1.47 -3.42 116.42 113.37 3m41 h ASP 93 Ca -0.50 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 3m41 h ASP 93 Cb 1.23 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.66 3m41 h ASP 93 CO 0.69 0.90 -0.08 0.00 -1.72 0.00 0.00 179.24 179.04 3m41 s ALA 94 N -2.78 -0.79 0.00 3.45 0.00 -1.00 -1.87 121.76 118.78 3m41 s ALA 94 Ca 0.01 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.74 3m41 s ALA 94 Cb 0.10 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.98 3m41 s ALA 94 CO 0.81 -0.70 -0.02 -1.50 0.00 0.00 0.00 175.76 174.34 3m41 s ILE 95 N -3.85 0.17 -0.17 0.00 2.07 -0.65 -0.31 121.20 118.45 3m41 s ILE 95 Ca 0.07 -0.20 -0.14 0.00 -1.41 0.00 0.00 60.65 58.97 3m41 s ILE 95 Cb 0.01 -0.17 -0.04 0.00 0.13 0.00 0.00 42.46 42.39 3m41 s ILE 95 CO -0.07 -0.02 0.31 -0.63 -1.91 0.00 0.00 174.94 172.62 3m41 s ILE 96 N -0.23 5.28 0.00 2.00 1.01 -0.34 -0.72 121.20 128.20 3m41 s ILE 96 Ca -0.01 0.57 0.05 0.00 0.00 0.00 0.00 60.65 61.26 3m41 s ILE 96 Cb -0.02 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 3m41 s ILE 96 CO -0.00 0.35 -0.16 0.68 0.00 0.00 0.00 174.94 175.81 3m41 s VAL 97 N 0.69 1.31 0.43 2.92 -7.23 0.05 -1.49 120.40 117.07 3m41 s VAL 97 Ca 0.17 -0.81 -0.23 0.00 -1.81 0.00 0.00 61.98 59.29 3m41 s VAL 97 Cb -0.13 -1.11 -0.08 0.00 0.56 0.00 0.00 36.38 35.61 3m41 s VAL 97 CO 0.05 0.28 1.09 -1.00 -0.31 0.00 0.00 175.10 175.21 3m41 s HIS 98 N -0.52 3.10 -0.42 2.82 3.76 -0.08 -1.10 115.29 122.85 3m41 s HIS 98 Ca 0.06 1.60 0.22 0.00 -0.15 0.00 0.00 55.06 56.79 3m41 s HIS 98 Cb -0.07 -3.21 -0.08 0.00 1.11 0.00 0.00 32.58 30.33 3m41 s HIS 98 CO 0.00 -0.96 0.88 0.41 -0.85 0.00 0.00 174.74 174.22 3m41 n GLY 99 N 0.32 -1.19 0.34 -2.22 0.00 -1.25 -4.52 105.19 96.68 3m41 n GLY 99 Ca 0.06 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.75 3m41 n GLY 99 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3m41 h PHE 100 N 0.00 0.59 0.00 1.61 3.57 -1.93 -0.56 116.94 120.22 3m41 h PHE 100 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3m41 h PHE 100 Cb 0.83 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.38 3m41 h PHE 100 CO 0.00 0.32 0.00 -2.30 -2.23 0.00 0.00 178.31 174.10 3m41 n PRO 101 N -4.48 0.57 0.00 6.41 -0.02 -1.26 -4.98 135.00 131.23 3m41 n PRO 101 Ca 0.09 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3m41 n PRO 101 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3m41 n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m41 n GLY 102 N 0.26 0.46 0.22 -1.23 0.00 -0.22 -4.58 105.19 100.11 3m41 n GLY 102 Ca 0.14 -2.11 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 3m41 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m41 h ALA 103 N 0.00 0.41 -0.40 4.61 0.00 -1.94 -2.59 119.26 119.34 3m41 h ALA 103 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 3m41 h ALA 103 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3m41 h ALA 103 CO 0.00 0.55 -0.08 0.38 0.00 0.00 0.00 179.25 180.10 3m41 h ASP 104 N 0.51 0.67 -0.38 0.00 3.04 -1.99 0.14 116.42 118.41 3m41 h ASP 104 Ca 0.02 -0.18 -0.06 0.00 -3.24 0.00 0.00 57.03 53.57 3m41 h ASP 104 Cb 1.06 -0.18 -0.02 0.00 -1.04 0.00 0.00 39.33 39.14 3m41 h ASP 104 CO 0.10 0.79 0.04 0.28 -2.04 0.00 0.00 179.24 178.41 3m41 h SER 105 N 0.64 0.70 -0.14 4.15 0.02 -1.78 -1.44 113.55 115.69 3m41 h SER 105 Ca 0.12 -0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 60.77 3m41 h SER 105 Cb 0.51 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3m41 h SER 105 CO 0.03 0.74 -0.49 0.58 -1.14 0.00 0.00 176.83 176.55 3m41 h VAL 106 N 0.70 1.34 -0.59 2.27 2.07 -1.03 -3.23 116.25 117.78 3m41 h VAL 106 Ca 0.15 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.91 3m41 h VAL 106 Cb 0.38 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3m41 h VAL 106 CO 0.01 0.54 0.38 -0.09 0.02 0.00 0.00 177.57 178.43 3m41 h ARG 107 N 0.23 0.78 -0.89 1.57 2.43 -0.52 -1.04 114.38 116.94 3m41 h ARG 107 Ca -0.02 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.19 3m41 h ARG 107 Cb 1.11 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 30.42 3m41 h ARG 107 CO 0.10 0.53 0.54 0.00 -1.51 0.00 0.00 179.97 179.63 3m41 h ALA 108 N 1.62 1.28 -0.25 2.80 0.00 -1.29 0.12 119.26 123.55 3m41 h ALA 108 Ca 0.22 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3m41 h ALA 108 Cb -0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3m41 h ALA 108 CO -0.05 0.20 -0.35 0.00 0.00 0.00 0.00 179.25 179.06 3m41 h LEU 110 N 0.40 1.05 -0.14 0.00 3.38 -0.61 -1.12 115.31 118.28 3m41 h LEU 110 Ca 0.03 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3m41 h LEU 110 Cb 0.93 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3m41 h LEU 110 CO 0.08 0.75 0.01 0.78 0.09 0.00 0.00 178.44 180.15 3m41 h ASN 111 N 1.24 -0.03 -0.57 -0.43 2.35 -0.68 -0.55 115.58 116.92 3m41 h ASN 111 Ca 0.35 0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 56.03 3m41 h ASN 111 Cb -0.09 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3m41 h ASN 111 CO -0.09 0.01 -0.02 0.58 -1.65 0.00 0.00 177.43 176.26 3m41 h VAL 112 N 0.06 1.27 -0.88 2.81 2.07 -1.31 -1.56 116.25 118.70 3m41 h VAL 112 Ca 0.06 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 3m41 h VAL 112 Cb 0.06 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3m41 h VAL 112 CO -0.09 0.41 0.54 0.00 0.02 0.00 0.00 177.57 178.45 3m41 h ALA 113 N 0.96 1.13 -0.35 1.67 0.00 -1.01 -0.59 119.26 121.07 3m41 h ALA 113 Ca 0.16 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3m41 h ALA 113 Cb 0.57 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3m41 h ALA 113 CO 0.03 0.58 -0.11 1.49 0.00 0.00 0.00 179.25 181.24 3m41 h GLU 114 N 1.21 0.69 -0.50 0.00 4.81 -0.91 0.11 114.58 120.00 3m41 h GLU 114 Ca 0.32 -0.28 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 3m41 h GLU 114 Cb -0.06 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.23 3m41 h GLU 114 CO -0.06 0.87 0.17 1.49 -0.73 0.00 0.00 179.01 180.74 3m41 h GLU 115 N 0.48 0.32 -0.02 1.92 4.81 -0.96 -3.06 114.58 118.07 3m41 h GLU 115 Ca 0.09 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3m41 h GLU 115 Cb 0.63 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3m41 h GLU 115 CO 0.04 0.21 -0.05 -1.33 -0.73 0.00 0.00 179.01 177.16 3m41 n MET 116 N -5.02 1.95 -2.62 1.92 2.81 -0.26 -4.96 117.12 110.95 3m41 n MET 116 Ca 0.05 -1.46 -0.08 0.00 -1.81 0.00 0.00 57.70 54.40 3m41 n MET 116 Cb 0.21 -1.47 0.02 0.00 -0.71 0.00 0.00 33.22 31.27 3m41 n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3m41 n GLY 117 N 1.29 0.29 0.00 3.03 0.00 -0.15 -5.05 105.19 104.60 3m41 n GLY 117 Ca 0.15 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3m41 n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m41 n ARG 118 N -1.97 2.00 -4.43 1.61 5.12 0.19 -5.03 116.66 114.14 3m41 n ARG 118 Ca -0.03 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.67 3m41 n ARG 118 Cb 0.54 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.70 3m41 n ARG 118 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3m41 s GLU 119 N -1.96 1.09 -0.16 5.56 0.41 -0.78 -4.48 118.70 118.39 3m41 s GLU 119 Ca 0.00 -0.87 -0.04 0.00 -0.41 0.00 0.00 54.97 53.65 3m41 s GLU 119 Cb 0.00 -1.16 -0.03 0.00 -1.78 0.00 0.00 34.13 31.16 3m41 s GLU 119 CO 0.00 0.29 -0.02 0.08 -0.49 0.00 0.00 175.26 175.12 3m41 s VAL 120 N -0.88 4.04 -0.22 2.63 1.01 -1.26 -1.63 120.40 124.09 3m41 s VAL 120 Ca 0.04 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 3m41 s VAL 120 Cb -0.08 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3m41 s VAL 120 CO 0.02 0.49 0.11 -0.36 0.00 0.00 0.00 175.10 175.36 3m41 s PHE 121 N 0.33 3.26 -0.21 5.22 0.40 0.10 -4.11 117.98 122.98 3m41 s PHE 121 Ca -0.03 0.09 -0.20 0.00 -0.60 0.00 0.00 56.93 56.19 3m41 s PHE 121 Cb -0.14 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 3m41 s PHE 121 CO 0.02 0.04 0.58 -1.17 0.70 0.00 0.00 175.22 175.40 3m41 s LEU 122 N 0.88 4.13 -0.45 -0.37 2.96 -0.25 -0.77 118.68 124.80 3m41 s LEU 122 Ca 0.06 0.73 -0.27 0.00 -0.22 0.00 0.00 54.13 54.44 3m41 s LEU 122 Cb -0.13 -2.80 0.03 0.00 0.50 0.00 0.00 46.19 43.78 3m41 s LEU 122 CO 0.03 -0.25 0.99 -0.22 -1.32 0.00 0.00 176.35 175.57 3m41 s LEU 123 N 1.92 3.90 0.10 -0.68 2.96 -0.26 -0.92 118.68 125.70 3m41 s LEU 123 Ca 0.26 0.29 0.18 0.00 -0.22 0.00 0.00 54.13 54.64 3m41 s LEU 123 Cb -0.16 -3.31 -0.10 0.00 0.50 0.00 0.00 46.19 43.13 3m41 s LEU 123 CO 0.10 -1.08 0.90 0.71 -1.32 0.00 0.00 176.35 175.65 3m41 h THR 124 N 6.08 0.39 -2.27 3.68 1.35 -1.62 -3.31 112.91 117.20 3m41 h THR 124 Ca -0.24 -1.76 0.06 0.00 -0.55 0.00 0.00 66.41 63.93 3m41 h THR 124 Cb 1.07 1.92 -0.16 0.00 -1.73 0.00 0.00 68.15 69.25 3m41 h THR 124 CO 1.05 0.22 0.42 -0.70 -0.25 0.00 0.00 175.52 176.26 3m41 s GLU 125 N -3.03 0.90 0.23 4.72 2.12 -1.26 -4.30 118.70 118.08 3m41 s GLU 125 Ca -0.02 -0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.16 3m41 s GLU 125 Cb 0.09 0.42 -0.05 0.00 0.26 0.00 0.00 34.13 34.84 3m41 s GLU 125 CO 0.80 -0.37 -0.06 -1.64 -0.54 0.00 0.00 175.26 173.46 3m41 s MET 126 N -2.72 1.35 0.00 4.30 -1.94 -1.26 -4.29 119.30 114.74 3m41 s MET 126 Ca 0.01 -1.66 0.00 0.00 -1.71 0.00 0.00 55.69 52.34 3m41 s MET 126 Cb -0.01 -0.86 0.00 0.00 2.01 0.00 0.00 34.83 35.97 3m41 s MET 126 CO -0.06 0.02 0.90 -1.13 -0.01 0.00 0.00 175.02 174.74 3m41 n SER 127 N -0.42 1.71 -4.80 3.03 3.41 -1.26 -4.82 113.62 110.46 3m41 n SER 127 Ca -0.07 -1.81 -0.32 0.00 -0.26 0.00 0.00 58.87 56.42 3m41 n SER 127 Cb 0.63 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.61 3m41 n SER 127 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3m41 s HIS 128 N -0.81 2.98 0.24 7.33 -3.43 -1.26 -4.94 115.29 115.41 3m41 s HIS 128 Ca 0.00 1.48 -0.04 0.00 -0.80 0.00 0.00 55.06 55.70 3m41 s HIS 128 Cb 0.00 -2.97 0.41 0.00 -1.43 0.00 0.00 32.58 28.59 3m41 s HIS 128 CO 0.00 -1.25 1.78 -1.35 -2.00 0.00 0.00 174.74 171.92 3m41 h PRO 129 N -0.18 0.65 0.00 -0.38 0.11 -2.05 -0.45 132.00 129.71 3m41 h PRO 129 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3m41 h PRO 129 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3m41 h PRO 129 CO 0.56 0.43 0.00 0.41 -0.21 0.00 0.00 178.00 179.20 3m41 n GLY 130 N -1.32 -0.87 0.31 -0.55 0.00 -1.26 -2.19 105.19 99.32 3m41 n GLY 130 Ca 0.14 0.14 0.21 0.00 0.00 0.00 0.00 46.02 46.50 3m41 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m41 h ALA 131 N 2.06 1.00 -0.02 4.61 0.00 -1.39 -2.19 119.26 123.33 3m41 h ALA 131 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3m41 h ALA 131 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3m41 h ALA 131 CO 0.00 0.00 -0.18 1.49 0.00 0.00 0.00 179.25 180.56 3m41 h GLU 132 N 0.00 0.04 -0.21 0.00 4.22 -1.63 0.39 114.58 117.38 3m41 h GLU 132 Ca 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 3m41 h GLU 132 Cb 0.14 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3m41 h GLU 132 CO 0.00 0.22 0.09 0.52 -2.18 0.00 0.00 179.01 177.66 3m41 h MET 133 N 0.03 0.32 0.00 1.92 0.00 -1.64 -3.41 114.93 112.15 3m41 h MET 133 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 59.70 59.65 3m41 h MET 133 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 31.60 31.89 3m41 h MET 133 CO 0.02 0.37 -0.26 1.19 0.00 0.00 0.00 176.91 178.23 3m41 n PHE 134 N -4.82 0.00 -0.08 -0.22 3.01 -1.24 -4.89 117.46 109.22 3m41 n PHE 134 Ca -0.04 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.31 3m41 n PHE 134 Cb 0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.54 3m41 n PHE 134 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3m41 h ILE 135 N 0.00 1.27 -0.71 4.37 2.04 -1.69 -3.02 117.51 119.77 3m41 h ILE 135 Ca 0.00 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 64.92 3m41 h ILE 135 Cb 0.26 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 3m41 h ILE 135 CO 0.00 0.30 0.46 -0.61 0.00 0.00 0.00 178.15 178.30 3m41 h GLN 136 N 0.19 0.89 0.00 2.37 5.75 -1.16 -1.56 115.11 121.58 3m41 h GLN 136 Ca 0.06 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3m41 h GLN 136 Cb 0.45 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.80 3m41 h GLN 136 CO 0.02 0.59 0.00 0.78 -2.65 0.00 0.00 178.83 177.56 3m41 h GLY 137 N 0.91 0.00 0.12 2.39 0.00 -1.81 -2.83 103.07 101.86 3m41 h GLY 137 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3m41 h GLY 137 CO -0.09 0.00 -0.90 0.00 0.00 0.00 0.00 176.54 175.56 3m41 n ALA 138 N -2.03 4.52 0.04 3.60 0.00 -0.66 -4.67 120.51 121.31 3m41 n ALA 138 Ca 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.78 3m41 n ALA 138 Cb 0.27 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 3m41 n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m41 h ALA 139 N 3.04 -0.18 -0.67 0.00 0.00 -1.11 0.32 119.26 120.67 3m41 h ALA 139 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3m41 h ALA 139 Cb 0.51 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3m41 h ALA 139 CO 0.00 -0.65 0.40 -0.44 0.00 0.00 0.00 179.25 178.57 3m41 h ASP 140 N -0.26 0.80 -0.21 0.00 3.32 -1.83 -0.45 116.42 117.78 3m41 h ASP 140 Ca 0.06 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3m41 h ASP 140 Cb 0.34 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3m41 h ASP 140 CO -0.18 0.62 -0.25 -0.08 -1.72 0.00 0.00 179.24 177.63 3m41 h GLU 141 N 0.90 0.69 -0.52 3.56 4.81 -1.77 -1.03 114.58 121.22 3m41 h GLU 141 Ca 0.24 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3m41 h GLU 141 Cb -0.03 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3m41 h GLU 141 CO -0.05 0.88 0.19 0.82 -0.73 0.00 0.00 179.01 180.12 3m41 h ILE 142 N 0.60 1.22 -0.55 2.32 2.04 -0.54 0.25 117.51 122.86 3m41 h ILE 142 Ca 0.08 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 3m41 h ILE 142 Cb 0.75 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3m41 h ILE 142 CO 0.06 0.27 0.27 0.00 0.00 0.00 0.00 178.15 178.75 3m41 h ALA 143 N 1.04 0.71 -0.67 1.87 0.00 -0.80 -1.06 119.26 120.34 3m41 h ALA 143 Ca 0.17 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3m41 h ALA 143 Cb 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3m41 h ALA 143 CO -0.01 0.27 0.23 0.00 0.00 0.00 0.00 179.25 179.74 3m41 h ARG 144 N 0.74 1.01 -0.63 0.00 3.08 -1.04 -1.37 114.38 116.17 3m41 h ARG 144 Ca 0.19 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3m41 h ARG 144 Cb 0.12 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 3m41 h ARG 144 CO -0.02 0.85 0.36 1.98 -1.07 0.00 0.00 179.97 182.07 3m41 h MET 145 N 0.99 0.68 -0.34 0.04 4.05 -0.46 -0.37 114.93 119.52 3m41 h MET 145 Ca 0.22 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.63 3m41 h MET 145 Cb 0.24 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 3m41 h MET 145 CO -0.01 0.45 0.16 0.78 0.23 0.00 0.00 176.91 178.52 3m41 h GLY 146 N 0.70 0.45 1.00 1.39 0.00 -0.56 -2.01 103.07 104.03 3m41 h GLY 146 Ca 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 3m41 h GLY 146 CO -0.14 0.09 0.35 -2.08 0.00 0.00 0.00 176.54 174.76 3m41 h VAL 147 N 0.34 1.19 0.00 4.60 2.07 -0.81 -0.36 116.25 123.29 3m41 h VAL 147 Ca 0.14 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3m41 h VAL 147 Cb 0.06 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3m41 h VAL 147 CO -0.10 0.20 -0.09 0.44 0.02 0.00 0.00 177.57 178.04 3m41 h ASP 148 N 0.83 0.00 -0.04 0.57 3.32 -0.76 -1.91 116.42 118.43 3m41 h ASP 148 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3m41 h ASP 148 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3m41 h ASP 148 CO -0.04 0.09 0.00 0.18 -1.72 0.00 0.00 179.24 177.76 3m41 n LEU 149 N -3.45 2.47 0.00 1.55 4.77 -0.76 -4.95 117.00 116.62 3m41 n LEU 149 Ca -0.01 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 3m41 n LEU 149 Cb 0.25 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3m41 n LEU 149 CO 0.29 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3m41 n GLY 150 N 1.29 0.46 3.75 -0.72 0.00 -0.72 -5.02 105.19 104.24 3m41 n GLY 150 Ca 0.16 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 3m41 n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m41 s VAL 151 N -2.00 2.24 -0.55 1.61 1.01 -0.22 -4.92 120.40 117.57 3m41 s VAL 151 Ca 0.00 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.23 3m41 s VAL 151 Cb 0.00 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.26 3m41 s VAL 151 CO 0.00 0.03 0.53 0.29 0.00 0.00 0.00 175.10 175.95 3m41 n LYS 152 N 2.14 1.61 -4.25 2.72 4.76 -1.26 -4.65 118.16 119.22 3m41 n LYS 152 Ca 0.07 -0.56 -0.20 0.00 -2.87 0.00 0.00 58.31 54.75 3m41 n LYS 152 Cb 0.38 -0.99 -0.16 0.00 -1.84 0.00 0.00 35.03 32.43 3m41 n LYS 152 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3m41 s ASN 153 N -0.80 1.02 0.03 4.39 0.01 -1.26 -0.43 114.94 117.91 3m41 s ASN 153 Ca 0.05 -0.15 0.02 0.00 -0.71 0.00 0.00 52.86 52.07 3m41 s ASN 153 Cb 0.04 -0.41 -0.02 0.00 0.41 0.00 0.00 41.25 41.27 3m41 s ASN 153 CO 0.11 -0.01 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.32 3m41 s TYR 154 N 0.61 0.63 -0.14 2.20 1.51 0.21 -1.09 117.35 121.28 3m41 s TYR 154 Ca -0.09 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 3m41 s TYR 154 Cb -0.12 -0.38 -0.01 0.00 -0.11 0.00 0.00 41.96 41.34 3m41 s TYR 154 CO 0.01 -0.06 -0.15 0.08 -1.11 0.00 0.00 175.55 174.32 3m41 s VAL 155 N -1.08 2.81 0.10 0.71 1.01 -0.09 -1.31 120.40 122.54 3m41 s VAL 155 Ca -0.07 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3m41 s VAL 155 Cb -0.08 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3m41 s VAL 155 CO 0.00 0.52 -0.07 -0.83 0.00 0.00 0.00 175.10 174.72 3m41 s GLY 156 N 0.58 0.78 0.69 4.51 0.00 -0.72 -1.59 107.32 111.58 3m41 s GLY 156 Ca -0.09 -1.30 -0.12 0.00 0.00 0.00 0.00 44.72 43.22 3m41 s GLY 156 CO 0.03 -1.39 1.07 -4.14 0.00 0.00 0.00 173.10 168.67 3m41 s PRO 157 N -3.53 2.81 0.00 2.90 0.02 -1.26 -3.82 135.00 132.12 3m41 s PRO 157 Ca 0.10 1.11 0.06 0.00 0.02 0.00 0.00 61.00 62.28 3m41 s PRO 157 Cb 0.03 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 3m41 s PRO 157 CO -0.03 -1.21 0.34 -1.13 -0.33 0.00 0.00 177.00 174.64 3m41 n SER 158 N -2.95 0.52 0.09 2.53 3.41 -1.26 -4.58 113.62 111.37 3m41 n SER 158 Ca 0.08 -0.76 0.12 0.00 -0.26 0.00 0.00 58.87 58.05 3m41 n SER 158 Cb 0.53 0.81 0.60 0.00 -0.26 0.00 0.00 64.21 65.89 3m41 n SER 158 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3m41 h THR 159 N 0.25 0.92 -3.56 6.66 1.35 -1.94 -3.30 112.91 113.30 3m41 h THR 159 Ca 0.00 -0.05 -0.65 0.00 -0.55 0.00 0.00 66.41 65.16 3m41 h THR 159 Cb 0.17 0.75 -0.40 0.00 -1.73 0.00 0.00 68.15 66.94 3m41 h THR 159 CO 0.00 0.03 -0.70 -0.13 -0.25 0.00 0.00 175.52 174.47 3m41 s ARG 160 N -5.18 1.55 0.29 4.72 0.52 -1.26 -5.00 118.95 114.60 3m41 s ARG 160 Ca -0.06 -2.02 0.01 0.00 -0.52 0.00 0.00 55.73 53.15 3m41 s ARG 160 Cb 0.18 -3.13 0.71 0.00 0.52 0.00 0.00 34.95 33.23 3m41 s ARG 160 CO 0.71 -0.99 1.62 -1.35 0.02 0.00 0.00 175.30 175.31 3m41 h PRO 161 N 7.33 0.12 0.00 3.54 0.11 -1.91 0.34 132.00 141.53 3m41 h PRO 161 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3m41 h PRO 161 Cb 0.98 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3m41 h PRO 161 CO 0.56 0.08 0.00 1.05 -0.21 0.00 0.00 178.00 179.48 3m41 h GLU 162 N 0.12 0.00 0.02 1.05 9.09 -1.94 0.33 114.58 123.25 3m41 h GLU 162 Ca 0.56 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.75 3m41 h GLU 162 Cb 1.14 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.24 3m41 h GLU 162 CO -0.74 0.00 -0.94 0.00 0.05 0.00 0.00 179.01 177.38 3m41 h ARG 163 N 0.00 0.25 -0.44 1.06 2.47 -0.69 -2.80 114.38 114.22 3m41 h ARG 163 Ca 0.00 -0.29 -0.14 0.00 -1.26 0.00 0.00 59.98 58.28 3m41 h ARG 163 Cb 0.21 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 3m41 h ARG 163 CO 0.00 1.02 -0.28 1.25 0.56 0.00 0.00 179.97 182.52 3m41 h LEU 164 N 0.13 1.02 -0.91 3.04 5.85 -0.85 -0.97 115.31 122.62 3m41 h LEU 164 Ca -0.06 -0.42 -0.09 0.00 0.84 0.00 0.00 57.88 58.15 3m41 h LEU 164 Cb 1.59 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 3m41 h LEU 164 CO 0.15 1.22 -0.13 0.77 -0.34 0.00 0.00 178.44 180.11 3m41 h SER 165 N 0.82 0.65 -0.33 1.25 4.64 -1.49 -0.42 113.55 118.67 3m41 h SER 165 Ca 0.09 -0.19 -0.06 0.00 -0.47 0.00 0.00 61.79 61.17 3m41 h SER 165 Cb 0.87 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3m41 h SER 165 CO 0.08 0.80 -0.01 -0.09 -0.87 0.00 0.00 176.83 176.74 3m41 h ARG 166 N 0.60 0.59 -0.42 4.77 9.65 -1.31 -1.75 114.38 126.51 3m41 h ARG 166 Ca 0.10 -0.19 0.02 0.00 -1.10 0.00 0.00 59.98 58.81 3m41 h ARG 166 Cb 0.57 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.07 3m41 h ARG 166 CO 0.04 0.72 0.24 1.25 2.80 0.00 0.00 179.97 185.02 3m41 h LEU 167 N 0.39 0.38 -0.55 3.80 6.46 -0.91 -2.32 115.31 122.57 3m41 h LEU 167 Ca 0.09 0.01 0.09 0.00 -0.12 0.00 0.00 57.88 57.95 3m41 h LEU 167 Cb 0.46 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 40.25 3m41 h LEU 167 CO 0.02 0.27 0.13 0.03 -0.62 0.00 0.00 178.44 178.28 3m41 h ARG 168 N 0.49 0.27 -0.77 1.25 2.47 -0.91 -0.38 114.38 116.79 3m41 h ARG 168 Ca 0.17 -0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.94 3m41 h ARG 168 Cb 0.03 -0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.22 3m41 h ARG 168 CO -0.09 0.18 0.45 1.49 0.56 0.00 0.00 179.97 182.56 3m41 h GLU 169 N 0.28 0.79 -0.13 0.04 4.81 -0.86 0.73 114.58 120.24 3m41 h GLU 169 Ca 0.28 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 3m41 h GLU 169 Cb 0.38 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 3m41 h GLU 169 CO -0.34 0.52 -0.12 0.82 -0.73 0.00 0.00 179.01 179.16 3m41 h ILE 170 N 0.81 1.35 0.00 2.32 2.04 -0.82 -3.30 117.51 119.91 3m41 h ILE 170 Ca 0.35 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3m41 h ILE 170 Cb 0.22 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 3m41 h ILE 170 CO -0.19 0.37 -0.37 2.30 0.00 0.00 0.00 178.15 180.25 3m41 n ILE 171 N -4.60 0.27 0.00 -0.67 -5.35 -0.23 -4.93 119.36 103.85 3m41 n ILE 171 Ca -0.06 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 3m41 n ILE 171 Cb 0.34 -0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 3m41 n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3m41 n GLY 172 N 1.39 -0.63 0.02 3.28 0.00 0.23 -4.44 105.19 105.04 3m41 n GLY 172 Ca 0.05 -1.72 0.13 0.00 0.00 0.00 0.00 46.02 44.48 3m41 n GLY 172 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m41 n GLN 173 N -0.69 0.06 -0.07 1.61 1.13 -1.26 -4.10 117.38 114.05 3m41 n GLN 173 Ca 0.00 0.03 -0.05 0.00 -1.94 0.00 0.00 57.00 55.05 3m41 n GLN 173 Cb 0.00 -1.55 -0.14 0.00 0.11 0.00 0.00 30.24 28.66 3m41 n GLN 173 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3m41 n ASP 174 N -1.64 0.75 -4.71 1.08 10.43 -1.26 -4.98 116.55 116.21 3m41 n ASP 174 Ca 0.06 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.09 3m41 n ASP 174 Cb 0.36 1.11 0.12 0.00 1.84 0.00 0.00 41.12 44.55 3m41 n ASP 174 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3m41 s SER 175 N -4.92 3.74 -0.13 -2.24 0.01 -1.26 -4.91 113.70 104.00 3m41 s SER 175 Ca -0.08 2.30 -0.20 0.00 1.31 0.00 0.00 55.95 59.28 3m41 s SER 175 Cb 0.06 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 3m41 s SER 175 CO 0.72 -2.56 0.57 0.12 0.41 0.00 0.00 173.24 172.50 3m41 s PHE 176 N -2.22 3.48 -0.10 2.43 5.36 0.43 -4.97 117.98 122.40 3m41 s PHE 176 Ca 0.72 0.98 0.01 0.00 -0.96 0.00 0.00 56.93 57.68 3m41 s PHE 176 Cb -0.27 -2.68 0.02 0.00 -0.34 0.00 0.00 43.02 39.74 3m41 s PHE 176 CO 0.50 0.04 -0.13 -1.17 -1.46 0.00 0.00 175.22 173.01 3m41 s LEU 177 N 1.06 1.59 0.07 6.12 2.96 -1.26 -0.62 118.68 128.60 3m41 s LEU 177 Ca 0.29 -0.37 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 3m41 s LEU 177 Cb -0.16 -0.96 -0.03 0.00 0.50 0.00 0.00 46.19 45.53 3m41 s LEU 177 CO 0.12 -0.01 -0.20 0.27 -1.32 0.00 0.00 176.35 175.22 3m41 s ILE 178 N 1.04 2.67 -0.03 6.68 -4.36 -0.43 0.21 121.20 126.97 3m41 s ILE 178 Ca -0.07 -1.34 -0.04 0.00 -0.26 0.00 0.00 60.65 58.94 3m41 s ILE 178 Cb -0.15 -2.15 0.01 0.00 1.25 0.00 0.00 42.46 41.42 3m41 s ILE 178 CO -0.01 0.26 0.10 -0.55 0.24 0.00 0.00 174.94 174.98 3m41 s SER 179 N -1.64 -0.07 -0.09 4.36 0.15 -0.97 -1.75 113.70 113.69 3m41 s SER 179 Ca 0.15 0.11 -0.00 0.00 0.70 0.00 0.00 55.95 56.91 3m41 s SER 179 Cb -0.10 0.21 0.07 0.00 -1.71 0.00 0.00 66.02 64.48 3m41 s SER 179 CO 0.06 -0.10 1.87 -0.81 1.20 0.00 0.00 173.24 175.46 3m41 n PRO 180 N 2.71 1.22 0.00 5.44 -0.04 -1.25 -0.48 135.00 142.60 3m41 n PRO 180 Ca -0.15 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 3m41 n PRO 180 Cb 0.58 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 3m41 n PRO 180 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3m41 n THR 192 N 1.03 0.00 1.37 0.52 -1.04 -1.26 -4.47 114.28 110.44 3m41 n THR 192 Ca 0.09 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.19 3m41 n THR 192 Cb 0.54 0.00 0.58 0.00 -1.82 0.00 0.00 70.33 69.63 3m41 n THR 192 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3m41 n LEU 193 N 0.00 0.00 0.21 -4.42 4.77 -1.26 -0.67 117.00 115.63 3m41 n LEU 193 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3m41 n LEU 193 Cb 0.00 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.44 3m41 n LEU 193 CO 0.00 0.00 0.75 0.03 -1.33 0.00 0.00 177.39 176.84 3m41 h ARG 194 N 0.00 0.00 0.00 3.23 3.08 -2.02 -3.39 114.38 115.27 3m41 h ARG 194 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3m41 h ARG 194 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3m41 h ARG 194 CO 0.00 0.23 -0.99 1.19 -1.07 0.00 0.00 179.97 179.33 3m41 n PHE 195 N -3.28 0.00 -3.04 3.04 3.01 -0.39 -5.05 117.46 111.76 3m41 n PHE 195 Ca 0.01 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.15 3m41 n PHE 195 Cb 0.49 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.91 3m41 n PHE 195 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3m41 s ALA 196 N -2.00 3.26 -0.14 4.37 0.00 0.16 -4.86 121.76 122.56 3m41 s ALA 196 Ca 0.00 0.09 0.16 0.00 0.00 0.00 0.00 51.96 52.21 3m41 s ALA 196 Cb 0.00 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 3m41 s ALA 196 CO 0.00 0.25 1.16 -0.44 0.00 0.00 0.00 175.76 176.73 3m41 h ASP 197 N 2.07 0.00 -5.00 0.00 3.32 -0.56 -3.39 116.42 112.86 3m41 h ASP 197 Ca -0.48 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.47 3m41 h ASP 197 Cb 1.18 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.53 3m41 h ASP 197 CO 0.64 0.53 -0.21 0.00 -1.72 0.00 0.00 179.24 178.49 3m41 s ALA 198 N -2.95 -0.89 0.05 3.45 0.00 -1.17 -4.74 121.76 115.51 3m41 s ALA 198 Ca 0.01 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.38 3m41 s ALA 198 Cb 0.08 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 3m41 s ALA 198 CO 0.78 -0.31 0.02 0.96 0.00 0.00 0.00 175.76 177.21 3m41 s ILE 199 N -1.58 4.22 -0.21 0.00 -4.36 -0.28 -2.29 121.20 116.71 3m41 s ILE 199 Ca -0.11 -0.79 -0.07 0.00 -0.26 0.00 0.00 60.65 59.42 3m41 s ILE 199 Cb -0.04 -2.98 -0.04 0.00 1.25 0.00 0.00 42.46 40.66 3m41 s ILE 199 CO 0.03 0.21 0.07 -0.63 0.24 0.00 0.00 174.94 174.86 3m41 s ILE 200 N -1.26 4.62 -0.05 8.37 1.01 0.36 -0.40 121.20 133.85 3m41 s ILE 200 Ca 0.25 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.84 3m41 s ILE 200 Cb -0.12 -3.11 0.01 0.00 0.01 0.00 0.00 42.46 39.25 3m41 s ILE 200 CO 0.17 0.41 -0.13 -0.69 0.00 0.00 0.00 174.94 174.69 3m41 s VAL 201 N 0.87 1.15 0.00 2.92 1.01 -0.03 -4.49 120.40 121.83 3m41 s VAL 201 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3m41 s VAL 201 Cb -0.14 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.21 3m41 s VAL 201 CO 0.03 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3m41 n GLY 202 N 3.59 0.52 0.26 4.51 0.00 -1.26 -0.64 105.19 112.16 3m41 n GLY 202 Ca -0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.83 3m41 n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3m41 h ARG 203 N 0.00 0.45 -0.38 1.61 3.08 -1.96 -0.05 114.38 117.12 3m41 h ARG 203 Ca 0.00 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.13 3m41 h ARG 203 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3m41 h ARG 203 CO 0.00 0.30 0.50 0.77 -1.07 0.00 0.00 179.97 180.47 3m41 h SER 204 N 0.46 0.00 0.00 7.04 0.02 -1.97 -0.67 113.55 118.43 3m41 h SER 204 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3m41 h SER 204 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3m41 h SER 204 CO -0.33 0.00 -0.74 -0.38 -1.14 0.00 0.00 176.83 174.24 3m41 n ILE 205 N -3.50 1.20 0.38 3.27 5.41 -0.20 -4.18 119.36 121.73 3m41 n ILE 205 Ca 0.07 0.22 0.10 0.00 1.00 0.00 0.00 62.75 64.13 3m41 n ILE 205 Cb 0.66 -2.13 0.42 0.00 -0.71 0.00 0.00 39.64 37.88 3m41 n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3m41 n TYR 206 N -4.02 0.52 0.07 1.39 0.18 -0.23 -1.92 117.16 113.14 3m41 n TYR 206 Ca -0.10 0.21 0.09 0.00 1.88 0.00 0.00 57.90 59.98 3m41 n TYR 206 Cb 0.39 -0.84 -0.13 0.00 -0.38 0.00 0.00 39.34 38.37 3m41 n TYR 206 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3m41 n LEU 207 N -1.98 0.08 -4.65 -3.48 4.77 -0.27 -5.00 117.00 106.48 3m41 n LEU 207 Ca 0.02 -0.05 -0.45 0.00 -0.03 0.00 0.00 56.01 55.50 3m41 n LEU 207 Cb 0.18 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3m41 n LEU 207 CO 0.16 0.02 0.91 0.00 -1.33 0.00 0.00 177.39 177.15 3m41 n ALA 208 N -2.04 0.64 0.10 -1.18 0.00 -0.81 -4.82 120.51 112.41 3m41 n ALA 208 Ca -0.03 0.42 0.20 0.00 0.00 0.00 0.00 53.44 54.03 3m41 n ALA 208 Cb 0.44 -2.20 0.76 0.00 0.00 0.00 0.00 19.45 18.44 3m41 n ALA 208 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3m41 h ASP 209 N 3.75 0.00 -2.98 0.00 3.45 -1.94 -3.07 116.42 115.63 3m41 h ASP 209 Ca -0.44 0.00 -0.60 0.00 0.43 0.00 0.00 57.03 56.41 3m41 h ASP 209 Cb 1.29 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 39.67 3m41 h ASP 209 CO 0.72 0.00 -0.79 0.21 -1.57 0.00 0.00 179.24 177.81 3m41 s ASN 210 N -5.58 3.13 0.42 6.45 3.84 -1.26 -4.99 114.94 116.94 3m41 s ASN 210 Ca -0.04 -2.91 0.16 0.00 0.21 0.00 0.00 52.86 50.27 3m41 s ASN 210 Cb 0.16 -0.88 1.04 0.00 -0.55 0.00 0.00 41.25 41.02 3m41 s ASN 210 CO 0.58 -0.21 1.89 -0.65 -2.79 0.00 0.00 177.10 175.92 3m41 h PRO 211 N 6.22 0.42 -0.47 0.43 0.11 -1.71 0.89 132.00 137.89 3m41 h PRO 211 Ca 0.11 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.08 3m41 h PRO 211 Cb 0.90 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3m41 h PRO 211 CO 0.46 0.28 -0.13 0.00 -0.21 0.00 0.00 178.00 178.40 3m41 h ALA 212 N 1.63 0.65 -0.19 -0.75 0.00 -1.89 -0.14 119.26 118.57 3m41 h ALA 212 Ca 0.41 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3m41 h ALA 212 Cb 0.94 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3m41 h ALA 212 CO -0.14 0.57 -0.15 0.00 0.00 0.00 0.00 179.25 179.53 3m41 h ALA 213 N 0.88 1.39 -0.01 0.00 0.00 -1.24 0.57 119.26 120.85 3m41 h ALA 213 Ca 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3m41 h ALA 213 Cb 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3m41 h ALA 213 CO 0.05 0.42 -0.04 0.00 0.00 0.00 0.00 179.25 179.69 3m41 h ALA 214 N 1.55 0.02 0.27 0.00 0.00 -1.03 -2.86 119.26 117.20 3m41 h ALA 214 Ca 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3m41 h ALA 214 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3m41 h ALA 214 CO 0.03 -0.13 -0.13 0.00 0.00 0.00 0.00 179.25 179.01 3m41 h ALA 215 N 0.37 -0.36 -0.97 0.00 0.00 -0.86 -1.64 119.26 115.78 3m41 h ALA 215 Ca -0.00 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.86 3m41 h ALA 215 Cb 0.68 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 3m41 h ALA 215 CO 0.01 -0.61 0.62 0.00 0.00 0.00 0.00 179.25 179.27 3m41 h ALA 216 N 0.14 1.52 -0.24 0.00 0.00 -1.03 -1.70 119.26 117.94 3m41 h ALA 216 Ca -0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3m41 h ALA 216 Cb 0.40 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3m41 h ALA 216 CO 0.06 0.29 0.08 0.78 0.00 0.00 0.00 179.25 180.46 3m41 h GLY 217 N 1.02 0.40 0.79 0.00 0.00 -1.33 -1.80 103.07 102.16 3m41 h GLY 217 Ca 0.45 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.59 3m41 h GLY 217 CO -0.21 0.22 0.43 -2.22 0.00 0.00 0.00 176.54 174.76 3m41 h ILE 218 N 0.23 1.05 0.00 2.60 2.04 -0.64 -0.51 117.51 122.29 3m41 h ILE 218 Ca 0.08 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3m41 h ILE 218 Cb 0.22 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3m41 h ILE 218 CO -0.00 0.15 -0.16 0.40 0.00 0.00 0.00 178.15 178.53 3m41 h ILE 219 N 0.82 0.86 -0.44 -0.67 2.04 -1.15 -2.28 117.51 116.69 3m41 h ILE 219 Ca 0.30 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3m41 h ILE 219 Cb 0.09 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3m41 h ILE 219 CO -0.14 0.16 0.22 -0.33 0.00 0.00 0.00 178.15 178.06 3m41 h GLU 220 N 0.00 0.63 -0.43 2.37 4.39 -0.20 -2.92 114.58 118.42 3m41 h GLU 220 Ca -0.00 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.48 3m41 h GLU 220 Cb 0.34 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3m41 h GLU 220 CO 0.02 0.53 -0.24 0.66 -1.16 0.00 0.00 179.01 178.82 3m41 h SER 221 N 0.57 0.97 0.00 1.42 4.64 -1.25 -3.52 113.55 116.38 3m41 h SER 221 Ca 0.15 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3m41 h SER 221 Cb 0.11 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 3m41 h SER 221 CO -0.02 1.17 0.00 -0.38 -0.87 0.00 0.00 176.83 176.73