#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 1.28 -0.04 1.55 3.04 -1.98 -3.20 116.25 116.90 3m41 h VAL 6 Ca 0.00 -1.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.32 3m41 h VAL 6 Cb 0.00 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 3m41 h VAL 6 CO 0.00 0.41 0.00 -0.90 -1.01 0.00 0.00 177.57 176.07 3m41 n ASP 7 N -4.08 1.36 -4.55 3.17 5.75 -1.26 -4.82 116.55 112.12 3m41 n ASP 7 Ca -0.01 -1.48 -0.26 0.00 -0.01 0.00 0.00 54.79 53.03 3m41 n ASP 7 Cb 0.43 -0.02 -0.10 0.00 -1.03 0.00 0.00 41.12 40.41 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 -1.97 2.32 0.41 2.12 -7.23 -1.21 -5.10 120.40 109.74 3m41 s VAL 8 Ca 0.38 -2.20 -0.26 0.00 -1.81 0.00 0.00 61.98 58.08 3m41 s VAL 8 Cb 0.20 -2.63 -0.09 0.00 0.56 0.00 0.00 36.38 34.43 3m41 s VAL 8 CO 0.33 -0.22 1.42 0.00 -0.31 0.00 0.00 175.10 176.31 3m41 s MET 9 N -3.61 3.89 -0.31 4.82 0.23 -1.26 -4.87 119.30 118.19 3m41 s MET 9 Ca 0.32 2.41 -0.21 0.00 -1.03 0.00 0.00 55.69 57.18 3m41 s MET 9 Cb 0.01 -2.79 -0.00 0.00 -1.53 0.00 0.00 34.83 30.52 3m41 s MET 9 CO 0.17 -0.65 0.67 -0.51 -2.03 0.00 0.00 175.02 172.68 3m41 s ASP 10 N -0.44 6.53 -0.30 -1.18 -0.00 -1.26 -5.00 116.67 115.02 3m41 s ASP 10 Ca 0.57 0.44 -0.11 0.00 -0.00 0.00 0.00 52.55 53.45 3m41 s ASP 10 Cb -0.43 -2.35 -0.03 0.00 -0.00 0.00 0.00 42.92 40.10 3m41 s ASP 10 CO 0.57 -0.54 0.19 -0.69 -0.00 0.00 0.00 175.17 174.70 3m41 s VAL 11 N 2.73 5.08 0.21 -1.27 1.01 -1.26 -5.01 120.40 121.88 3m41 s VAL 11 Ca 0.27 -0.08 -0.32 0.00 0.00 0.00 0.00 61.98 61.85 3m41 s VAL 11 Cb -0.15 -3.50 -0.13 0.00 0.00 0.00 0.00 36.38 32.60 3m41 s VAL 11 CO 0.13 0.15 1.62 0.80 0.00 0.00 0.00 175.10 177.80 3m41 n MET 12 N 5.05 2.48 -1.14 2.72 1.56 -1.26 -1.59 117.12 124.93 3m41 n MET 12 Ca -0.14 0.89 -0.07 0.00 -0.27 0.00 0.00 57.70 58.12 3m41 n MET 12 Cb 0.51 -2.68 -0.03 0.00 2.15 0.00 0.00 33.22 33.17 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 3.34 -5.37 -2.49 6.12 3.02 -1.26 -2.72 115.26 115.89 3m41 n ASN 13 Ca 0.15 0.16 -0.16 0.00 -0.03 0.00 0.00 54.58 54.70 3m41 n ASN 13 Cb 0.33 -3.69 -0.01 0.00 -0.61 0.00 0.00 39.78 35.80 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 -0.17 -2.21 -3.91 3.52 1.74 -0.62 -4.96 116.66 110.05 3m41 n ARG 14 Ca -0.07 0.75 -0.28 0.00 -0.77 0.00 0.00 57.85 57.48 3m41 n ARG 14 Cb 0.52 -5.39 -0.17 0.00 -1.02 0.00 0.00 32.46 26.41 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 -5.84 1.53 -0.21 0.55 2.96 -1.10 -1.23 118.68 115.34 3m41 s LEU 15 Ca 0.03 -0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 53.29 3m41 s LEU 15 Cb -0.01 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 3m41 s LEU 15 CO 0.04 -0.16 0.08 -0.63 -1.32 0.00 0.00 176.35 174.36 3m41 s ILE 16 N 1.64 4.75 -0.26 6.68 1.01 0.47 -4.61 121.20 130.87 3m41 s ILE 16 Ca 0.02 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 3m41 s ILE 16 Cb -0.14 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.16 3m41 s ILE 16 CO -0.08 0.41 1.03 -0.22 0.00 0.00 0.00 174.94 176.08 3m41 s LEU 17 N 0.82 4.04 -0.83 2.97 2.96 -0.92 -0.83 118.68 126.90 3m41 s LEU 17 Ca 0.04 1.23 -0.23 0.00 -0.22 0.00 0.00 54.13 54.95 3m41 s LEU 17 Cb -0.13 -3.51 0.06 0.00 0.50 0.00 0.00 46.19 43.11 3m41 s LEU 17 CO 0.02 -0.73 1.22 0.00 -1.32 0.00 0.00 176.35 175.54 3m41 s ALA 18 N 3.32 2.94 -1.02 5.97 0.00 0.27 -0.18 121.76 133.06 3m41 s ALA 18 Ca 0.44 -1.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.25 3m41 s ALA 18 Cb -0.14 -4.19 0.13 0.00 0.00 0.00 0.00 23.12 18.92 3m41 s ALA 18 CO 0.09 -3.19 1.26 1.41 0.00 0.00 0.00 175.76 175.33 3m41 s MET 19 N 4.58 3.73 0.00 0.00 1.75 -0.36 -4.35 119.30 124.64 3m41 s MET 19 Ca 0.34 -1.88 0.23 0.00 -1.25 0.00 0.00 55.69 53.14 3m41 s MET 19 Cb -0.08 -5.03 0.42 0.00 2.84 0.00 0.00 34.83 32.98 3m41 s MET 19 CO 0.03 -1.85 1.39 -0.25 -0.65 0.00 0.00 175.02 173.70 3m41 n ASP 20 N 6.72 3.22 -4.75 1.11 10.43 -1.26 -4.50 116.55 127.52 3m41 n ASP 20 Ca 0.29 -1.97 -0.37 0.00 2.57 0.00 0.00 54.79 55.31 3m41 n ASP 20 Cb 0.48 -0.19 0.04 0.00 1.84 0.00 0.00 41.12 43.29 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 -1.60 3.75 0.00 0.64 1.43 -1.26 -4.82 118.68 116.82 3m41 s LEU 21 Ca 0.36 2.56 0.17 0.00 -1.03 0.00 0.00 54.13 56.19 3m41 s LEU 21 Cb 0.22 -4.45 -0.14 0.00 0.03 0.00 0.00 46.19 41.85 3m41 s LEU 21 CO 0.31 -1.60 0.75 0.23 0.23 0.00 0.00 176.35 176.27 3m41 n MET 22 N -1.33 1.52 -4.52 1.70 2.81 -1.26 -4.41 117.12 111.62 3m41 n MET 22 Ca 0.12 -0.18 -0.33 0.00 -1.81 0.00 0.00 57.70 55.50 3m41 n MET 22 Cb 0.47 -1.29 -0.11 0.00 -0.71 0.00 0.00 33.22 31.58 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 -2.46 4.66 0.21 7.83 2.20 -1.26 -4.60 114.94 121.52 3m41 s ASN 23 Ca 0.08 -0.08 -0.10 0.00 -0.94 0.00 0.00 52.86 51.82 3m41 s ASN 23 Cb 0.13 -1.13 0.15 0.00 -2.00 0.00 0.00 41.25 38.40 3m41 s ASN 23 CO 0.63 0.32 1.87 -0.09 -2.94 0.00 0.00 177.10 176.89 3m41 h ARG 24 N 4.84 0.99 0.28 3.55 2.43 -1.93 -1.31 114.38 123.23 3m41 h ARG 24 Ca -0.49 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 58.60 3m41 h ARG 24 Cb 1.17 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3m41 h ARG 24 CO 0.53 0.67 -0.15 -0.44 -1.51 0.00 0.00 179.97 179.08 3m41 h ASP 25 N 1.01 -0.35 -0.53 -3.80 3.45 -1.99 -0.70 116.42 113.51 3m41 h ASP 25 Ca 0.27 0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.72 3m41 h ASP 25 Cb -0.09 0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 3m41 h ASP 25 CO -0.06 -0.25 0.23 0.44 -1.57 0.00 0.00 179.24 178.04 3m41 h ASP 26 N -0.40 0.71 -0.33 6.45 3.32 -1.95 0.11 116.42 124.33 3m41 h ASP 26 Ca -0.04 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 56.87 3m41 h ASP 26 Cb 0.31 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3m41 h ASP 26 CO 0.05 0.67 0.21 0.00 -1.72 0.00 0.00 179.24 178.45 3m41 h ALA 27 N 1.07 0.42 -0.44 3.45 0.00 -1.08 0.34 119.26 123.03 3m41 h ALA 27 Ca 0.18 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3m41 h ALA 27 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3m41 h ALA 27 CO -0.02 -0.13 -0.16 -0.07 0.00 0.00 0.00 179.25 178.87 3m41 h LEU 28 N 0.43 0.89 0.49 0.00 3.38 -1.03 -2.02 115.31 117.45 3m41 h LEU 28 Ca 0.13 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3m41 h LEU 28 Cb -0.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3m41 h LEU 28 CO -0.04 1.07 -0.23 -0.09 0.09 0.00 0.00 178.44 179.24 3m41 h ARG 29 N 0.70 -0.63 -0.70 1.13 2.43 -0.33 -0.58 114.38 116.41 3m41 h ARG 29 Ca 0.10 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3m41 h ARG 29 Cb 0.71 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 3m41 h ARG 29 CO 0.05 -0.33 0.32 0.28 -1.51 0.00 0.00 179.97 178.78 3m41 h VAL 30 N -0.88 1.23 -0.82 0.20 2.07 -0.43 -1.47 116.25 116.14 3m41 h VAL 30 Ca -0.07 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 3m41 h VAL 30 Cb 0.59 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3m41 h VAL 30 CO 0.11 0.27 0.37 0.74 0.02 0.00 0.00 177.57 179.08 3m41 h THR 31 N 0.99 1.26 -0.95 2.57 2.02 -1.34 -2.49 112.91 114.97 3m41 h THR 31 Ca 0.24 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 3m41 h THR 31 Cb 0.13 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 66.73 3m41 h THR 31 CO -0.03 0.32 0.57 1.23 0.37 0.00 0.00 175.52 177.99 3m41 h GLY 32 N 1.19 1.38 1.69 2.16 0.00 -0.13 -1.81 103.07 107.55 3m41 h GLY 32 Ca 0.28 -0.57 0.03 0.00 0.00 0.00 0.00 47.33 47.06 3m41 h GLY 32 CO -0.03 0.56 0.15 0.83 0.00 0.00 0.00 176.54 178.05 3m41 h GLU 33 N 1.31 0.18 -0.20 4.80 5.08 -0.84 -2.77 114.58 122.15 3m41 h GLU 33 Ca 0.34 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3m41 h GLU 33 Cb -0.06 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3m41 h GLU 33 CO -0.06 0.12 0.00 1.33 -1.00 0.00 0.00 179.01 179.40 3m41 n VAL 34 N -4.50 1.85 0.27 3.13 0.24 -0.96 -4.38 118.33 113.98 3m41 n VAL 34 Ca 0.01 -1.72 0.10 0.00 -2.04 0.00 0.00 64.34 60.69 3m41 n VAL 34 Cb 0.16 -0.04 0.71 0.00 -1.47 0.00 0.00 33.84 33.20 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 1.30 0.00 -0.00 7.34 0.11 -1.04 -2.59 114.38 119.50 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 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 3m41 h ARG 35 CO 0.11 0.04 -0.03 -0.85 0.10 0.00 0.00 179.97 179.34 3m41 n GLU 36 N -4.23 0.15 0.00 0.08 0.28 -1.26 -3.60 120.64 112.06 3m41 n GLU 36 Ca -0.03 -0.01 0.08 0.00 -0.16 0.00 0.00 57.16 57.04 3m41 n GLU 36 Cb 0.12 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.47 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 -1.42 0.00 -3.78 -1.84 4.01 -0.98 -4.98 117.16 108.18 3m41 n TYR 37 Ca 0.09 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.71 3m41 n TYR 37 Cb 0.31 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.24 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 -2.07 0.02 0.00 -0.72 -4.36 -1.24 -4.69 121.20 108.14 3m41 s ILE 38 Ca 0.12 -0.20 0.00 0.00 -0.26 0.00 0.00 60.65 60.31 3m41 s ILE 38 Cb 0.13 -0.46 0.00 0.00 1.25 0.00 0.00 42.46 43.38 3m41 s ILE 38 CO 0.47 -0.11 0.77 -0.90 0.24 0.00 0.00 174.94 175.42 3m41 n ASP 39 N 2.34 1.48 -3.82 4.36 5.75 -1.26 -4.86 116.55 120.55 3m41 n ASP 39 Ca -0.16 -1.58 -0.22 0.00 -0.01 0.00 0.00 54.79 52.82 3m41 n ASP 39 Cb 0.57 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.49 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 -0.58 0.47 -0.05 2.12 2.01 -1.26 -0.16 115.64 118.17 3m41 s THR 40 Ca 0.00 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.05 3m41 s THR 40 Cb 0.00 -0.57 -0.00 0.00 0.01 0.00 0.00 72.50 71.94 3m41 s THR 40 CO 0.00 0.25 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.32 3m41 s VAL 41 N 1.57 1.48 -0.22 3.82 1.01 -0.15 -2.15 120.40 125.76 3m41 s VAL 41 Ca -0.01 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 3m41 s VAL 41 Cb -0.13 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 3m41 s VAL 41 CO -0.04 0.43 0.14 -0.75 0.00 0.00 0.00 175.10 174.88 3m41 s LYS 42 N 0.18 4.13 0.05 2.72 2.20 0.75 -1.29 119.74 128.48 3m41 s LYS 42 Ca -0.08 -0.25 0.09 0.00 -0.36 0.00 0.00 55.97 55.38 3m41 s LYS 42 Cb -0.13 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 3m41 s LYS 42 CO 0.03 0.20 -0.26 0.42 -0.36 0.00 0.00 175.35 175.38 3m41 s ILE 43 N 0.65 2.10 0.37 5.43 -1.09 -0.40 -1.23 121.20 127.03 3m41 s ILE 43 Ca 0.08 -1.38 0.00 0.00 -2.23 0.00 0.00 60.65 57.12 3m41 s ILE 43 Cb -0.12 -1.80 -0.00 0.00 -1.58 0.00 0.00 42.46 38.96 3m41 s ILE 43 CO 0.01 0.35 0.01 0.61 -1.23 0.00 0.00 174.94 174.69 3m41 n GLY 44 N 1.78 3.69 0.32 6.18 0.00 -1.26 0.22 105.19 116.11 3m41 n GLY 44 Ca -0.17 -2.29 -0.01 0.00 0.00 0.00 0.00 46.02 43.55 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 1.23 0.83 -0.66 1.61 0.99 -1.96 -2.77 116.97 116.25 3m41 h TYR 45 Ca -0.30 -0.04 0.06 0.00 2.00 0.00 0.00 58.73 60.46 3m41 h TYR 45 Cb 0.94 -0.26 -0.06 0.00 1.00 0.00 0.00 36.73 38.35 3m41 h TYR 45 CO 0.00 0.63 0.35 -1.35 -0.00 0.00 0.00 178.16 177.79 3m41 h PRO 46 N 0.83 0.62 0.01 4.88 0.11 -1.95 0.32 132.00 136.83 3m41 h PRO 46 Ca 0.20 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 3m41 h PRO 46 Cb 0.14 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3m41 h PRO 46 CO -0.02 0.41 -0.01 1.25 -0.21 0.00 0.00 178.00 179.42 3m41 h LEU 47 N 0.64 -0.02 -0.82 2.35 5.85 -1.75 -2.46 115.31 119.10 3m41 h LEU 47 Ca 0.30 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 3m41 h LEU 47 Cb 0.22 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3m41 h LEU 47 CO -0.20 0.33 -0.20 0.58 -0.34 0.00 0.00 178.44 178.62 3m41 h VAL 48 N -0.37 1.26 -0.09 1.05 2.07 -1.18 -0.09 116.25 118.90 3m41 h VAL 48 Ca -0.00 -1.25 -0.14 0.00 0.82 0.00 0.00 66.70 66.13 3m41 h VAL 48 Cb 0.36 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3m41 h VAL 48 CO 0.00 0.41 -0.55 -0.07 0.02 0.00 0.00 177.57 177.39 3m41 h LEU 49 N 0.59 0.29 -0.10 2.57 3.38 -0.42 0.16 115.31 121.79 3m41 h LEU 49 Ca 0.09 -0.16 -0.25 0.00 0.09 0.00 0.00 57.88 57.66 3m41 h LEU 49 Cb 0.66 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.34 3m41 h LEU 49 CO 0.05 0.79 -0.98 0.28 0.09 0.00 0.00 178.44 178.67 3m41 h SER 50 N 0.20 0.74 0.00 -0.43 0.02 -1.12 -3.39 113.55 109.58 3m41 h SER 50 Ca 0.00 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 3m41 h SER 50 Cb 1.03 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3m41 h SER 50 CO 0.09 1.38 -0.51 -0.62 -1.14 0.00 0.00 176.83 176.03 3m41 n GLU 51 N -3.81 3.91 0.00 3.45 -0.58 -0.07 -5.06 120.64 118.48 3m41 n GLU 51 Ca -0.09 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 3m41 n GLU 51 Cb 0.85 -0.88 0.00 0.00 -0.57 0.00 0.00 31.44 30.84 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 1.34 2.15 0.23 0.62 0.00 0.55 -4.71 105.19 105.36 3m41 n GLY 52 Ca 0.01 -1.74 0.16 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.44 114.93 115.02 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 0.00 -0.44 1.06 0.00 0.00 176.91 177.53 3m41 h ASP 54 N 0.00 0.00 0.34 1.22 3.32 -1.92 -1.90 116.42 117.48 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 0.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 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 0.50 0.13 0.35 2.10 -1.72 -2.69 117.51 116.18 3m41 h ILE 55 Ca 0.00 -0.44 -0.01 0.00 1.08 0.00 0.00 64.86 65.49 3m41 h ILE 55 Cb 0.00 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 3m41 h ILE 55 CO -0.00 0.09 -0.06 0.40 -1.08 0.00 0.00 178.15 177.50 3m41 h ILE 56 N 0.00 0.94 -0.18 2.19 2.04 -1.58 -1.52 117.51 119.40 3m41 h ILE 56 Ca -0.00 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 3m41 h ILE 56 Cb 0.29 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3m41 h ILE 56 CO 0.01 0.06 -0.06 0.00 0.00 0.00 0.00 178.15 178.16 3m41 h ALA 57 N 0.55 1.57 -0.42 1.87 0.00 -1.58 -2.49 119.26 118.76 3m41 h ALA 57 Ca -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3m41 h ALA 57 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3m41 h ALA 57 CO 0.03 0.31 0.17 1.49 0.00 0.00 0.00 179.25 181.26 3m41 h GLU 58 N 0.26 0.63 -0.10 0.00 4.81 -1.16 -1.66 114.58 117.36 3m41 h GLU 58 Ca 0.06 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3m41 h GLU 58 Cb 0.28 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3m41 h GLU 58 CO 0.01 0.58 0.00 0.74 -0.73 0.00 0.00 179.01 179.62 3m41 h PHE 59 N 0.54 0.00 -0.58 0.92 -1.00 -0.91 -0.08 116.94 115.84 3m41 h PHE 59 Ca 0.14 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.89 3m41 h PHE 59 Cb 0.19 0.01 -0.03 0.00 3.61 0.00 0.00 35.95 39.73 3m41 h PHE 59 CO -0.00 -0.01 0.20 0.00 -1.61 0.00 0.00 178.31 176.89 3m41 h ARG 60 N 0.04 0.85 0.01 1.51 3.08 -1.30 -0.86 114.38 117.70 3m41 h ARG 60 Ca 0.05 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 3m41 h ARG 60 Cb 0.05 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 29.97 3m41 h ARG 60 CO -0.08 0.72 -0.44 -0.22 -1.07 0.00 0.00 179.97 178.88 3m41 h LYS 61 N 0.83 0.29 -0.04 0.04 3.64 -1.18 0.24 116.57 120.39 3m41 h LYS 61 Ca 0.19 -0.32 -0.13 0.00 -1.27 0.00 0.00 60.65 59.12 3m41 h LYS 61 Cb 0.21 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3m41 h LYS 61 CO -0.01 1.03 -0.58 0.00 -2.27 0.00 0.00 179.45 177.62 3m41 h ARG 62 N -0.31 0.13 0.00 1.90 3.08 -0.90 -3.34 114.38 114.93 3m41 h ARG 62 Ca -0.06 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3m41 h ARG 62 Cb 1.19 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3m41 h ARG 62 CO 0.09 0.67 -0.28 1.19 -1.07 0.00 0.00 179.97 180.57 3m41 n PHE 63 N -3.88 0.00 -1.76 3.04 3.01 -0.34 -5.00 117.46 112.53 3m41 n PHE 63 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.31 3m41 n PHE 63 Cb 0.59 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 40.02 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 1.26 0.69 3.93 1.37 0.00 0.07 -5.00 105.19 107.52 3m41 n GLY 64 Ca 0.00 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.70 4.42 -0.15 0.00 3.52 0.77 -4.42 118.95 119.39 3m41 s ARG 66 Ca 0.39 1.59 0.01 0.00 -0.13 0.00 0.00 55.73 57.60 3m41 s ARG 66 Cb -0.10 -2.85 0.01 0.00 -1.56 0.00 0.00 34.95 30.45 3m41 s ARG 66 CO 0.31 0.07 -0.19 0.42 -0.81 0.00 0.00 175.30 175.11 3m41 s ILE 67 N -1.45 2.33 -0.26 4.11 -1.09 -1.26 -0.98 121.20 122.60 3m41 s ILE 67 Ca 0.51 -0.88 -0.09 0.00 -2.23 0.00 0.00 60.65 57.96 3m41 s ILE 67 Cb -0.25 -1.96 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 3m41 s ILE 67 CO 0.32 0.53 0.12 -0.63 -1.23 0.00 0.00 174.94 174.06 3m41 s ILE 68 N 0.86 4.74 -0.50 2.92 1.01 -0.41 -0.99 121.20 128.84 3m41 s ILE 68 Ca -0.05 -0.04 -0.24 0.00 0.00 0.00 0.00 60.65 60.32 3m41 s ILE 68 Cb -0.15 -3.25 0.03 0.00 0.01 0.00 0.00 42.46 39.10 3m41 s ILE 68 CO -0.02 0.29 0.89 0.00 0.00 0.00 0.00 174.94 176.10 3m41 s ALA 69 N 1.68 3.22 -1.27 9.38 0.00 0.54 -1.27 121.76 134.03 3m41 s ALA 69 Ca 0.07 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 50.84 3m41 s ALA 69 Cb -0.16 -3.64 0.14 0.00 0.00 0.00 0.00 23.12 19.47 3m41 s ALA 69 CO 0.07 -2.17 1.69 -3.47 0.00 0.00 0.00 175.76 171.87 3m41 n ASP 70 N 7.18 5.02 -0.61 0.00 -0.08 0.13 -1.21 116.55 126.98 3m41 n ASP 70 Ca 0.03 -3.00 0.10 0.00 -1.51 0.00 0.00 54.79 50.41 3m41 n ASP 70 Cb 0.48 -1.58 0.04 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 5.54 0.00 -4.03 -0.67 0.99 -1.25 -4.17 117.46 113.87 3m41 n PHE 71 Ca 0.41 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.59 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 0.52 -2.63 -1.69 -1.08 4.76 -0.57 -4.74 118.16 112.74 3m41 n LYS 72 Ca 0.10 0.33 -0.44 0.00 -2.87 0.00 0.00 58.31 55.43 3m41 n LYS 72 Cb 0.45 -4.26 -0.04 0.00 -1.84 0.00 0.00 35.03 29.35 3m41 n LYS 72 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3m41 n VAL 73 N -4.45 0.22 -2.70 -0.18 0.31 -0.89 -4.39 118.33 106.24 3m41 n VAL 73 Ca -0.30 -0.04 -0.06 0.00 -0.01 0.00 0.00 64.34 63.93 3m41 n VAL 73 Cb 0.68 -1.91 0.08 0.00 -0.91 0.00 0.00 33.84 31.78 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 4.82 2.43 -4.17 3.52 0.00 -1.26 -1.01 120.51 124.84 3m41 n ALA 74 Ca 0.18 -2.09 -0.12 0.00 0.00 0.00 0.00 53.44 51.42 3m41 n ALA 74 Cb 0.34 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.56 2.37 -4.73 0.00 -0.08 -1.26 -4.96 116.55 107.33 3m41 n ASP 75 Ca 0.00 -1.80 -0.30 0.00 -1.51 0.00 0.00 54.79 51.18 3m41 n ASP 75 Cb 0.84 0.11 0.13 0.00 2.34 0.00 0.00 41.12 44.53 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 -1.56 2.85 0.18 5.18 -4.36 -1.26 -4.70 121.20 117.54 3m41 s ILE 76 Ca 0.02 0.28 -0.15 0.00 -0.26 0.00 0.00 60.65 60.54 3m41 s ILE 76 Cb -0.00 -2.71 0.10 0.00 1.25 0.00 0.00 42.46 41.11 3m41 s ILE 76 CO 0.01 -0.36 1.69 -0.65 0.24 0.00 0.00 174.94 175.87 3m41 h PRO 77 N -1.45 0.12 -0.73 0.37 0.11 -1.88 -0.01 132.00 128.53 3m41 h PRO 77 Ca -0.47 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3m41 h PRO 77 Cb 1.26 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3m41 h PRO 77 CO 0.52 0.08 0.37 1.49 -0.21 0.00 0.00 178.00 180.24 3m41 h GLU 78 N 0.12 1.03 -0.33 1.05 4.81 -1.94 -0.76 114.58 118.56 3m41 h GLU 78 Ca 0.23 -0.14 -0.18 0.00 -0.13 0.00 0.00 59.36 59.14 3m41 h GLU 78 Cb 0.33 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 3m41 h GLU 78 CO -0.37 0.80 -0.48 1.15 -0.73 0.00 0.00 179.01 179.37 3m41 h THR 79 N 1.01 1.27 -0.85 0.32 2.02 -1.84 -2.77 112.91 112.07 3m41 h THR 79 Ca 0.25 -1.66 0.09 0.00 0.77 0.00 0.00 66.41 65.86 3m41 h THR 79 Cb 0.09 1.52 -0.07 0.00 -1.74 0.00 0.00 68.15 67.96 3m41 h THR 79 CO -0.03 0.55 0.51 0.78 0.37 0.00 0.00 175.52 177.69 3m41 h ASN 80 N 0.72 0.75 -0.39 4.18 4.21 -0.56 -0.50 115.58 123.99 3m41 h ASN 80 Ca 0.03 0.04 0.05 0.00 1.21 0.00 0.00 56.30 57.63 3m41 h ASN 80 Cb 1.09 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 38.13 3m41 h ASN 80 CO 0.11 0.44 0.13 -0.33 -1.29 0.00 0.00 177.43 176.50 3m41 h GLU 81 N 0.87 0.28 -0.42 0.81 5.08 -0.96 -0.82 114.58 119.41 3m41 h GLU 81 Ca 0.40 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.62 3m41 h GLU 81 Cb 0.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3m41 h GLU 81 CO -0.22 0.18 -0.24 0.87 -1.00 0.00 0.00 179.01 178.60 3m41 h LYS 82 N 0.28 0.86 -0.31 2.33 1.57 -1.11 -0.08 116.57 120.12 3m41 h LYS 82 Ca 0.18 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3m41 h LYS 82 Cb 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3m41 h LYS 82 CO -0.19 1.01 0.11 0.82 -0.57 0.00 0.00 179.45 180.63 3m41 h ILE 83 N 0.74 1.19 -0.50 1.86 2.04 -0.88 -1.32 117.51 120.64 3m41 h ILE 83 Ca 0.10 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3m41 h ILE 83 Cb 0.78 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3m41 h ILE 83 CO 0.06 0.20 0.23 0.00 0.00 0.00 0.00 178.15 178.65 3m41 h ARG 85 N 0.66 0.61 -0.86 0.00 2.43 -0.86 0.74 114.38 117.10 3m41 h ARG 85 Ca 0.17 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3m41 h ARG 85 Cb 0.13 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 3m41 h ARG 85 CO -0.02 0.55 0.42 0.00 -1.51 0.00 0.00 179.97 179.41 3m41 h ALA 86 N 1.03 1.12 -0.37 2.80 0.00 -1.10 0.56 119.26 123.29 3m41 h ALA 86 Ca 0.14 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3m41 h ALA 86 Cb 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3m41 h ALA 86 CO -0.01 0.67 -0.34 1.15 0.00 0.00 0.00 179.25 180.71 3m41 h THR 87 N 1.22 1.28 -0.26 0.00 2.02 -0.77 -1.87 112.91 114.52 3m41 h THR 87 Ca 0.30 -1.51 -0.15 0.00 0.77 0.00 0.00 66.41 65.81 3m41 h THR 87 Cb 0.11 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3m41 h THR 87 CO -0.04 0.50 -0.46 -0.26 0.37 0.00 0.00 175.52 175.63 3m41 h PHE 88 N 0.70 0.83 -0.47 3.16 0.04 -0.66 -2.47 116.94 118.07 3m41 h PHE 88 Ca 0.06 -0.27 -0.02 0.00 2.80 0.00 0.00 57.97 60.54 3m41 h PHE 88 Cb 0.93 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.89 3m41 h PHE 88 CO 0.06 1.02 0.19 -0.22 -0.60 0.00 0.00 178.31 178.76 3m41 h LYS 89 N 0.54 0.67 0.00 1.51 3.64 -0.79 -0.07 116.57 122.07 3m41 h LYS 89 Ca 0.03 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3m41 h LYS 89 Cb 1.01 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3m41 h LYS 89 CO 0.10 0.55 0.00 0.00 -2.27 0.00 0.00 179.45 177.82 3m41 n ALA 90 N -2.46 1.90 0.00 5.00 0.00 -0.71 -4.87 120.51 119.36 3m41 n ALA 90 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3m41 n ALA 90 Cb 0.15 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 0.21 0.71 3.77 0.00 0.00 -0.04 -3.66 105.19 106.18 3m41 n GLY 91 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3m41 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m41 n ALA 92 N -1.12 2.43 0.09 4.61 0.00 -0.95 -4.84 120.51 120.72 3m41 n ALA 92 Ca 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.77 3m41 n ALA 92 Cb 0.00 -2.43 -0.05 0.00 0.00 0.00 0.00 19.45 16.97 3m41 n ALA 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3m41 h ASP 93 N 3.46 0.00 -5.10 0.00 3.32 -1.41 -3.42 116.42 113.26 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 1.24 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.67 3m41 h ASP 93 CO 0.68 0.72 -0.07 0.00 -1.72 0.00 0.00 179.24 178.85 3m41 s ALA 94 N -2.85 -0.82 0.01 3.45 0.00 -1.01 -1.95 121.76 118.59 3m41 s ALA 94 Ca 0.01 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.78 3m41 s ALA 94 Cb 0.09 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.96 3m41 s ALA 94 CO 0.79 -0.69 -0.04 -1.50 0.00 0.00 0.00 175.76 174.31 3m41 s ILE 95 N -3.85 0.27 -0.18 0.00 2.07 -0.63 -0.34 121.20 118.55 3m41 s ILE 95 Ca 0.07 -0.33 -0.13 0.00 -1.41 0.00 0.00 60.65 58.85 3m41 s ILE 95 Cb 0.01 -0.27 -0.05 0.00 0.13 0.00 0.00 42.46 42.29 3m41 s ILE 95 CO -0.08 -0.04 0.26 -0.63 -1.91 0.00 0.00 174.94 172.54 3m41 s ILE 96 N -0.37 5.32 -0.02 2.00 1.01 -0.35 -0.50 121.20 128.29 3m41 s ILE 96 Ca -0.02 0.46 0.05 0.00 0.00 0.00 0.00 60.65 61.15 3m41 s ILE 96 Cb -0.03 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 3m41 s ILE 96 CO -0.00 0.38 -0.19 -0.69 0.00 0.00 0.00 174.94 174.44 3m41 s VAL 97 N 0.59 1.50 0.46 2.92 1.01 0.08 -1.51 120.40 125.44 3m41 s VAL 97 Ca 0.14 -0.80 -0.23 0.00 0.00 0.00 0.00 61.98 61.10 3m41 s VAL 97 Cb -0.13 -1.26 -0.07 0.00 0.00 0.00 0.00 36.38 34.92 3m41 s VAL 97 CO 0.03 0.43 1.14 -1.00 0.00 0.00 0.00 175.10 175.70 3m41 s HIS 98 N -0.30 2.92 -0.20 5.22 3.76 -0.18 -1.09 115.29 125.43 3m41 s HIS 98 Ca 0.04 1.55 0.22 0.00 -0.15 0.00 0.00 55.06 56.72 3m41 s HIS 98 Cb -0.09 -3.32 -0.14 0.00 1.11 0.00 0.00 32.58 30.14 3m41 s HIS 98 CO 0.00 -1.36 0.81 0.41 -0.85 0.00 0.00 174.74 173.75 3m41 n GLY 99 N 0.38 -1.24 0.25 -2.22 0.00 -1.25 -4.53 105.19 96.58 3m41 n GLY 99 Ca 0.07 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.80 3m41 n GLY 99 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3m41 h PHE 100 N 0.00 0.00 0.00 1.61 -5.15 -1.93 -0.03 116.94 111.43 3m41 h PHE 100 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3m41 h PHE 100 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.14 3m41 h PHE 100 CO 0.00 0.11 0.00 -2.30 -2.00 0.00 0.00 178.31 174.12 3m41 n PRO 101 N -4.24 0.64 0.00 6.09 -0.02 -1.26 -4.98 135.00 131.22 3m41 n PRO 101 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3m41 n PRO 101 Cb 0.19 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 0.27 -4.09 0.21 -1.23 0.00 -0.03 -4.59 105.19 95.74 3m41 n GLY 102 Ca 0.15 -2.12 -0.16 0.00 0.00 0.00 0.00 46.02 43.89 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 0.36 -0.37 4.61 0.00 -1.94 -2.64 119.26 119.29 3m41 h ALA 103 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 3m41 h ALA 103 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3m41 h ALA 103 CO 0.00 0.70 -0.14 0.38 0.00 0.00 0.00 179.25 180.20 3m41 h ASP 104 N 0.48 0.65 -0.54 0.00 3.04 -1.99 0.16 116.42 118.23 3m41 h ASP 104 Ca -0.05 -0.19 -0.05 0.00 -3.24 0.00 0.00 57.03 53.50 3m41 h ASP 104 Cb 1.40 -0.17 -0.03 0.00 -1.04 0.00 0.00 39.33 39.49 3m41 h ASP 104 CO 0.16 0.80 0.15 0.28 -2.04 0.00 0.00 179.24 178.59 3m41 h SER 105 N 0.60 0.84 -0.16 4.15 0.02 -1.79 -1.08 113.55 116.12 3m41 h SER 105 Ca 0.10 -0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 60.75 3m41 h SER 105 Cb 0.58 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3m41 h SER 105 CO 0.04 0.81 -0.50 0.58 -1.14 0.00 0.00 176.83 176.62 3m41 h VAL 106 N 0.86 1.33 -0.52 2.27 2.07 -1.07 -3.22 116.25 117.97 3m41 h VAL 106 Ca 0.19 -1.75 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 3m41 h VAL 106 Cb 0.29 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 3m41 h VAL 106 CO -0.00 0.54 0.28 -0.09 0.02 0.00 0.00 177.57 178.32 3m41 h ARG 107 N 0.28 0.71 -1.01 1.57 2.43 -0.42 -1.02 114.38 116.93 3m41 h ARG 107 Ca -0.02 -0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.19 3m41 h ARG 107 Cb 1.12 -0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.44 3m41 h ARG 107 CO 0.11 0.53 0.64 0.00 -1.51 0.00 0.00 179.97 179.73 3m41 h ALA 108 N 1.59 1.48 -0.18 2.80 0.00 -1.22 0.97 119.26 124.71 3m41 h ALA 108 Ca 0.18 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3m41 h ALA 108 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3m41 h ALA 108 CO -0.03 0.30 -0.39 0.00 0.00 0.00 0.00 179.25 179.13 3m41 h LEU 110 N 0.24 1.06 -0.16 0.00 3.38 -0.62 -1.20 115.31 118.01 3m41 h LEU 110 Ca 0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3m41 h LEU 110 Cb 0.99 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3m41 h LEU 110 CO 0.09 0.73 0.07 0.78 0.09 0.00 0.00 178.44 180.19 3m41 h ASN 111 N 1.23 0.09 -0.50 -0.43 2.35 -0.75 -0.60 115.58 116.96 3m41 h ASN 111 Ca 0.38 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 56.03 3m41 h ASN 111 Cb -0.00 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3m41 h ASN 111 CO -0.12 0.08 -0.15 0.58 -1.65 0.00 0.00 177.43 176.17 3m41 h VAL 112 N 0.15 1.27 -0.79 2.81 2.07 -1.32 -1.50 116.25 118.94 3m41 h VAL 112 Ca 0.07 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 3m41 h VAL 112 Cb 0.03 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3m41 h VAL 112 CO -0.06 0.46 0.43 0.00 0.02 0.00 0.00 177.57 178.41 3m41 h ALA 113 N 0.93 1.01 -0.37 1.67 0.00 -1.05 -0.32 119.26 121.12 3m41 h ALA 113 Ca 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3m41 h ALA 113 Cb 0.72 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3m41 h ALA 113 CO 0.06 0.52 0.01 1.49 0.00 0.00 0.00 179.25 181.33 3m41 h GLU 114 N 1.09 0.65 -0.48 0.00 4.81 -0.90 0.97 114.58 120.73 3m41 h GLU 114 Ca 0.28 -0.20 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 3m41 h GLU 114 Cb 0.04 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 3m41 h GLU 114 CO -0.04 0.75 0.19 1.49 -0.73 0.00 0.00 179.01 180.67 3m41 h GLU 115 N 0.48 0.38 -0.02 1.92 4.81 -0.97 -3.10 114.58 118.07 3m41 h GLU 115 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3m41 h GLU 115 Cb 0.45 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3m41 h GLU 115 CO 0.02 0.25 -0.02 -1.33 -0.73 0.00 0.00 179.01 177.19 3m41 n MET 116 N -4.97 1.97 -2.47 1.92 2.81 -0.16 -4.95 117.12 111.27 3m41 n MET 116 Ca 0.04 -1.45 -0.08 0.00 -1.81 0.00 0.00 57.70 54.40 3m41 n MET 116 Cb 0.17 -1.47 0.01 0.00 -0.71 0.00 0.00 33.22 31.22 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 1.28 0.25 0.39 3.03 0.00 -0.01 -5.05 105.19 105.08 3m41 n GLY 117 Ca 0.16 -0.49 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.83 1.83 -4.46 1.61 5.12 0.13 -5.03 116.66 114.02 3m41 n ARG 118 Ca -0.04 -0.39 -0.22 0.00 -1.93 0.00 0.00 57.85 55.26 3m41 n ARG 118 Cb 0.54 0.10 -0.14 0.00 -1.16 0.00 0.00 32.46 31.81 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 -2.20 1.12 -0.15 5.56 0.41 -0.82 -4.48 118.70 118.13 3m41 s GLU 119 Ca 0.00 -0.85 -0.04 0.00 -0.41 0.00 0.00 54.97 53.68 3m41 s GLU 119 Cb -0.00 -1.18 -0.03 0.00 -1.78 0.00 0.00 34.13 31.14 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 -0.84 4.03 -0.22 2.63 1.01 -1.26 -1.60 120.40 124.14 3m41 s VAL 120 Ca 0.04 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 3m41 s VAL 120 Cb -0.08 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3m41 s VAL 120 CO 0.02 0.50 0.11 -0.36 0.00 0.00 0.00 175.10 175.36 3m41 s PHE 121 N 0.29 3.25 -0.22 5.22 0.40 0.34 -4.14 117.98 123.13 3m41 s PHE 121 Ca -0.02 0.05 -0.20 0.00 -0.60 0.00 0.00 56.93 56.16 3m41 s PHE 121 Cb -0.14 -2.20 -0.02 0.00 0.51 0.00 0.00 43.02 41.17 3m41 s PHE 121 CO 0.03 0.01 0.60 -1.17 0.70 0.00 0.00 175.22 175.39 3m41 s LEU 122 N 0.94 4.12 -0.43 -0.37 2.96 -0.24 -0.75 118.68 124.91 3m41 s LEU 122 Ca 0.06 0.76 -0.26 0.00 -0.22 0.00 0.00 54.13 54.47 3m41 s LEU 122 Cb -0.13 -2.84 0.02 0.00 0.50 0.00 0.00 46.19 43.74 3m41 s LEU 122 CO 0.03 -0.28 0.94 -0.22 -1.32 0.00 0.00 176.35 175.50 3m41 s LEU 123 N 2.03 3.98 0.12 -0.68 2.96 -0.25 -0.89 118.68 125.95 3m41 s LEU 123 Ca 0.27 0.28 0.19 0.00 -0.22 0.00 0.00 54.13 54.65 3m41 s LEU 123 Cb -0.16 -3.23 -0.08 0.00 0.50 0.00 0.00 46.19 43.22 3m41 s LEU 123 CO 0.10 -1.00 0.91 0.35 -1.32 0.00 0.00 176.35 175.39 3m41 n THR 124 N 6.31 0.95 -3.52 3.68 -2.24 -0.63 -3.74 114.28 115.08 3m41 n THR 124 Ca 0.07 -0.63 -0.09 0.00 -2.27 0.00 0.00 64.05 61.13 3m41 n THR 124 Cb 0.48 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 3m41 n THR 124 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3m41 s GLU 125 N -3.11 0.75 0.23 -0.78 2.12 -1.26 -4.29 118.70 112.35 3m41 s GLU 125 Ca -0.02 -0.19 0.05 0.00 0.36 0.00 0.00 54.97 55.17 3m41 s GLU 125 Cb 0.09 0.35 -0.05 0.00 0.26 0.00 0.00 34.13 34.78 3m41 s GLU 125 CO 0.80 -0.31 -0.04 -1.64 -0.54 0.00 0.00 175.26 173.54 3m41 s MET 126 N -2.63 1.33 0.00 4.30 -1.94 -1.26 -4.30 119.30 114.81 3m41 s MET 126 Ca 0.03 -1.66 0.00 0.00 -1.71 0.00 0.00 55.69 52.36 3m41 s MET 126 Cb -0.01 -0.75 0.00 0.00 2.01 0.00 0.00 34.83 36.08 3m41 s MET 126 CO -0.06 -0.03 0.74 -1.13 -0.01 0.00 0.00 175.02 174.54 3m41 n SER 127 N -0.41 1.48 -4.79 3.03 3.41 -1.26 -4.82 113.62 110.26 3m41 n SER 127 Ca -0.06 -1.50 -0.32 0.00 -0.26 0.00 0.00 58.87 56.74 3m41 n SER 127 Cb 0.63 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.64 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 -0.50 2.81 0.24 7.33 -3.43 -1.26 -4.93 115.29 115.56 3m41 s HIS 128 Ca 0.00 1.51 -0.05 0.00 -0.80 0.00 0.00 55.06 55.71 3m41 s HIS 128 Cb 0.00 -3.01 0.40 0.00 -1.43 0.00 0.00 32.58 28.54 3m41 s HIS 128 CO 0.00 -1.49 1.76 -1.35 -2.00 0.00 0.00 174.74 171.66 3m41 h PRO 129 N -0.53 0.54 0.00 -0.38 0.11 -2.05 -0.69 132.00 128.99 3m41 h PRO 129 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3m41 h PRO 129 Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3m41 h PRO 129 CO 0.54 0.36 0.00 0.41 -0.21 0.00 0.00 178.00 179.10 3m41 n GLY 130 N -1.31 -0.90 0.30 -0.55 0.00 -1.26 -2.21 105.19 99.26 3m41 n GLY 130 Ca 0.13 0.19 0.19 0.00 0.00 0.00 0.00 46.02 46.52 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 2.03 1.08 -0.04 4.61 0.00 -1.43 -2.27 119.26 123.23 3m41 h ALA 131 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3m41 h ALA 131 Cb 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3m41 h ALA 131 CO 0.00 0.03 -0.08 1.49 0.00 0.00 0.00 179.25 180.69 3m41 h GLU 132 N 0.00 0.06 -0.22 0.00 4.22 -1.64 0.50 114.58 117.50 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 0.24 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3m41 h GLU 132 CO 0.00 0.15 0.10 0.52 -2.18 0.00 0.00 179.01 177.60 3m41 h MET 133 N 0.06 0.33 0.00 1.92 0.00 -1.65 -3.41 114.93 112.18 3m41 h MET 133 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 59.70 59.66 3m41 h MET 133 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 31.60 31.73 3m41 h MET 133 CO 0.01 0.36 -0.26 1.19 0.00 0.00 0.00 176.91 178.22 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 -0.03 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.31 3m41 n PHE 134 Cb 0.11 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.53 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 1.30 -0.48 4.37 2.04 -1.68 -3.05 117.51 120.01 3m41 h ILE 135 Ca 0.00 -1.13 0.07 0.00 1.00 0.00 0.00 64.86 64.81 3m41 h ILE 135 Cb 0.26 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 3m41 h ILE 135 CO 0.00 0.35 0.12 -0.61 0.00 0.00 0.00 178.15 178.00 3m41 h GLN 136 N 0.17 0.26 0.00 2.37 4.15 -1.14 -1.70 115.11 119.21 3m41 h GLN 136 Ca 0.05 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.46 3m41 h GLN 136 Cb 0.57 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3m41 h GLN 136 CO 0.03 0.17 0.00 0.78 -1.93 0.00 0.00 178.83 177.88 3m41 h GLY 137 N 0.26 0.00 0.27 2.39 0.00 -1.81 -2.83 103.07 101.36 3m41 h GLY 137 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3m41 h GLY 137 CO -0.29 0.00 -0.89 0.00 0.00 0.00 0.00 176.54 175.37 3m41 n ALA 138 N -2.02 4.38 -0.01 3.60 0.00 -0.71 -4.67 120.51 121.08 3m41 n ALA 138 Ca 0.01 -0.53 -0.09 0.00 0.00 0.00 0.00 53.44 52.82 3m41 n ALA 138 Cb 0.27 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 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 2.97 0.08 -0.57 0.00 0.00 -1.12 0.60 119.26 121.23 3m41 h ALA 139 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3m41 h ALA 139 Cb 0.52 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3m41 h ALA 139 CO 0.00 -0.49 0.28 -0.44 0.00 0.00 0.00 179.25 178.60 3m41 h ASP 140 N -0.01 0.73 -0.36 0.00 3.32 -1.83 -0.69 116.42 117.58 3m41 h ASP 140 Ca 0.07 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 3m41 h ASP 140 Cb 0.11 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3m41 h ASP 140 CO -0.15 0.64 -0.10 -0.08 -1.72 0.00 0.00 179.24 177.84 3m41 h GLU 141 N 0.76 0.80 -0.52 3.56 4.81 -1.76 -0.90 114.58 121.32 3m41 h GLU 141 Ca 0.20 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3m41 h GLU 141 Cb 0.10 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3m41 h GLU 141 CO -0.03 0.87 0.20 0.82 -0.73 0.00 0.00 179.01 180.14 3m41 h ILE 142 N 0.72 1.22 -0.62 2.32 2.04 -0.57 0.36 117.51 122.99 3m41 h ILE 142 Ca 0.12 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 3m41 h ILE 142 Cb 0.58 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3m41 h ILE 142 CO 0.04 0.26 0.32 0.00 0.00 0.00 0.00 178.15 178.77 3m41 h ALA 143 N 1.05 0.80 -0.63 1.87 0.00 -0.86 -1.05 119.26 120.44 3m41 h ALA 143 Ca 0.17 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3m41 h ALA 143 Cb 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3m41 h ALA 143 CO -0.01 0.33 0.17 0.00 0.00 0.00 0.00 179.25 179.74 3m41 h ARG 144 N 0.85 0.97 -0.68 0.00 3.08 -0.98 -1.31 114.38 116.29 3m41 h ARG 144 Ca 0.22 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 60.08 3m41 h ARG 144 Cb 0.07 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 3m41 h ARG 144 CO -0.03 0.85 0.45 1.98 -1.07 0.00 0.00 179.97 182.14 3m41 h MET 145 N 0.93 0.87 -0.14 0.04 4.05 -0.45 -0.81 114.93 119.42 3m41 h MET 145 Ca 0.20 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.59 3m41 h MET 145 Cb 0.30 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 3m41 h MET 145 CO -0.00 0.58 0.01 0.78 0.23 0.00 0.00 176.91 178.51 3m41 h GLY 146 N 0.90 0.14 0.87 1.39 0.00 -0.58 -2.32 103.07 103.47 3m41 h GLY 146 Ca 0.26 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.62 3m41 h GLY 146 CO -0.07 -0.01 0.41 -2.08 0.00 0.00 0.00 176.54 174.79 3m41 h VAL 147 N 0.07 1.08 0.00 4.60 2.07 -0.86 -0.99 116.25 122.22 3m41 h VAL 147 Ca 0.06 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3m41 h VAL 147 Cb 0.06 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3m41 h VAL 147 CO -0.09 0.15 -0.07 0.44 0.02 0.00 0.00 177.57 178.02 3m41 h ASP 148 N 0.80 0.00 -0.13 0.57 3.32 -0.86 -1.87 116.42 118.25 3m41 h ASP 148 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 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 -0.11 0.07 0.00 0.18 -1.72 0.00 0.00 179.24 177.66 3m41 n LEU 149 N -3.36 2.96 0.00 1.55 4.77 -0.64 -4.95 117.00 117.33 3m41 n LEU 149 Ca -0.01 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 3m41 n LEU 149 Cb 0.23 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3m41 n LEU 149 CO 0.27 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3m41 n GLY 150 N 1.37 0.45 3.74 -0.72 0.00 -0.70 -5.01 105.19 104.32 3m41 n GLY 150 Ca 0.16 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 2.11 -0.58 1.61 1.01 -0.47 -4.91 120.40 117.17 3m41 s VAL 151 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.12 3m41 s VAL 151 Cb 0.00 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.35 3m41 s VAL 151 CO 0.00 0.01 0.59 0.29 0.00 0.00 0.00 175.10 175.99 3m41 n LYS 152 N 2.57 0.60 -4.14 2.72 4.76 -1.26 -4.65 118.16 118.76 3m41 n LYS 152 Ca 0.10 -0.68 -0.19 0.00 -2.87 0.00 0.00 58.31 54.67 3m41 n LYS 152 Cb 0.37 -1.04 -0.16 0.00 -1.84 0.00 0.00 35.03 32.36 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 -0.58 0.80 0.03 4.39 0.01 -1.26 -0.45 114.94 117.88 3m41 s ASN 153 Ca 0.05 -0.11 0.02 0.00 -0.71 0.00 0.00 52.86 52.11 3m41 s ASN 153 Cb 0.04 -0.34 -0.02 0.00 0.41 0.00 0.00 41.25 41.34 3m41 s ASN 153 CO 0.08 -0.03 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.26 3m41 s TYR 154 N 0.71 0.60 -0.14 2.20 1.51 0.28 -1.07 117.35 121.43 3m41 s TYR 154 Ca -0.09 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.57 3m41 s TYR 154 Cb -0.12 -0.37 -0.01 0.00 -0.11 0.00 0.00 41.96 41.35 3m41 s TYR 154 CO -0.00 -0.07 -0.15 0.08 -1.11 0.00 0.00 175.55 174.29 3m41 s VAL 155 N -1.11 2.75 0.13 0.71 1.01 -0.07 -1.39 120.40 122.43 3m41 s VAL 155 Ca -0.08 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3m41 s VAL 155 Cb -0.08 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3m41 s VAL 155 CO 0.00 0.52 -0.06 -0.83 0.00 0.00 0.00 175.10 174.73 3m41 s GLY 156 N 0.57 0.98 0.59 4.51 0.00 -0.70 -1.60 107.32 111.66 3m41 s GLY 156 Ca -0.09 -1.46 -0.14 0.00 0.00 0.00 0.00 44.72 43.03 3m41 s GLY 156 CO 0.03 -1.52 1.03 -4.14 0.00 0.00 0.00 173.10 168.50 3m41 s PRO 157 N -3.83 3.53 -0.00 2.90 0.02 -1.26 -4.03 135.00 132.33 3m41 s PRO 157 Ca 0.16 0.97 0.07 0.00 0.02 0.00 0.00 61.00 62.23 3m41 s PRO 157 Cb 0.05 -2.07 -0.08 0.00 0.02 0.00 0.00 34.50 32.41 3m41 s PRO 157 CO -0.01 -0.63 0.26 -1.13 -0.33 0.00 0.00 177.00 175.16 3m41 n SER 158 N -2.23 1.03 0.12 2.53 3.41 -1.26 -4.55 113.62 112.66 3m41 n SER 158 Ca 0.07 -0.51 0.18 0.00 -0.26 0.00 0.00 58.87 58.35 3m41 n SER 158 Cb 0.54 1.07 0.74 0.00 -0.26 0.00 0.00 64.21 66.30 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 0.00 0.62 -3.45 6.66 1.35 -1.95 -3.21 112.91 112.93 3m41 h THR 159 Ca 0.00 0.00 -0.65 0.00 -0.55 0.00 0.00 66.41 65.21 3m41 h THR 159 Cb 0.20 0.79 -0.40 0.00 -1.73 0.00 0.00 68.15 67.01 3m41 h THR 159 CO 0.00 0.00 -0.61 -0.13 -0.25 0.00 0.00 175.52 174.53 3m41 s ARG 160 N -4.83 1.97 0.28 4.72 3.00 -1.26 -4.99 118.95 117.84 3m41 s ARG 160 Ca -0.05 -2.48 -0.02 0.00 0.00 0.00 0.00 55.73 53.18 3m41 s ARG 160 Cb 0.17 -3.36 0.62 0.00 0.00 0.00 0.00 34.95 32.38 3m41 s ARG 160 CO 0.63 -1.09 1.60 -1.35 0.00 0.00 0.00 175.30 175.09 3m41 h PRO 161 N 6.77 0.06 0.00 3.54 0.11 -1.90 0.38 132.00 140.96 3m41 h PRO 161 Ca -0.07 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3m41 h PRO 161 Cb 0.92 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3m41 h PRO 161 CO 0.67 0.04 0.00 1.05 -0.21 0.00 0.00 178.00 179.54 3m41 h GLU 162 N 0.06 0.00 0.07 1.05 9.09 -1.94 0.43 114.58 123.34 3m41 h GLU 162 Ca 0.52 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.69 3m41 h GLU 162 Cb 1.01 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.10 3m41 h GLU 162 CO -0.82 0.00 -1.10 0.00 0.05 0.00 0.00 179.01 177.14 3m41 h ARG 163 N 0.00 0.22 -0.44 1.06 2.47 -0.61 -2.85 114.38 114.23 3m41 h ARG 163 Ca 0.00 -0.33 -0.13 0.00 -1.26 0.00 0.00 59.98 58.26 3m41 h ARG 163 Cb 0.17 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 3m41 h ARG 163 CO 0.00 1.12 -0.23 1.25 0.56 0.00 0.00 179.97 182.67 3m41 h LEU 164 N 0.08 0.93 -0.69 3.04 5.85 -0.85 -0.29 115.31 123.39 3m41 h LEU 164 Ca -0.09 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.24 3m41 h LEU 164 Cb 1.81 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 3m41 h LEU 164 CO 0.17 1.12 0.28 -1.28 -0.34 0.00 0.00 178.44 178.39 3m41 h SER 165 N 0.79 0.95 -0.31 1.25 0.87 -1.51 0.11 113.55 115.69 3m41 h SER 165 Ca 0.10 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 3m41 h SER 165 Cb 0.78 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3m41 h SER 165 CO 0.06 0.86 0.08 -0.09 -0.53 0.00 0.00 176.83 177.21 3m41 h ARG 166 N 0.98 0.50 -0.29 2.24 9.65 -1.27 -1.30 114.38 124.90 3m41 h ARG 166 Ca 0.23 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3m41 h ARG 166 Cb 0.21 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 3m41 h ARG 166 CO -0.02 0.56 0.17 1.25 2.80 0.00 0.00 179.97 184.74 3m41 h LEU 167 N 0.34 0.35 -1.16 3.80 5.85 -0.80 -2.25 115.31 121.43 3m41 h LEU 167 Ca 0.10 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.81 3m41 h LEU 167 Cb 0.29 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3m41 h LEU 167 CO 0.00 0.30 0.57 -0.09 -0.34 0.00 0.00 178.44 178.88 3m41 h ARG 168 N 0.37 1.04 -0.90 1.25 9.65 -0.66 -0.33 114.38 124.79 3m41 h ARG 168 Ca 0.10 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.90 3m41 h ARG 168 Cb 0.02 -0.23 -0.04 0.00 -1.39 0.00 0.00 29.97 28.32 3m41 h ARG 168 CO -0.02 0.69 0.49 1.49 2.80 0.00 0.00 179.97 185.42 3m41 h GLU 169 N 1.07 1.26 -0.15 0.20 4.81 -0.82 -0.67 114.58 120.27 3m41 h GLU 169 Ca 0.36 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 3m41 h GLU 169 Cb 0.07 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 3m41 h GLU 169 CO -0.11 0.92 -0.21 0.82 -0.73 0.00 0.00 179.01 179.70 3m41 h ILE 170 N 1.27 1.36 0.00 2.32 2.04 -0.65 -3.30 117.51 120.54 3m41 h ILE 170 Ca 0.32 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3m41 h ILE 170 Cb 0.03 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3m41 h ILE 170 CO -0.05 0.42 -0.30 2.30 0.00 0.00 0.00 178.15 180.52 3m41 n ILE 171 N -4.47 0.14 0.00 -0.67 -5.35 -0.26 -4.93 119.36 103.82 3m41 n ILE 171 Ca -0.06 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 3m41 n ILE 171 Cb 0.41 -0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 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 1.44 -0.79 0.07 3.28 0.00 -0.27 -4.41 105.19 104.52 3m41 n GLY 172 Ca 0.06 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.86 0.21 -0.08 1.61 1.13 -1.26 -4.14 117.38 113.99 3m41 n GLN 173 Ca 0.00 0.14 -0.07 0.00 -1.94 0.00 0.00 57.00 55.13 3m41 n GLN 173 Cb 0.00 -1.71 -0.15 0.00 0.11 0.00 0.00 30.24 28.49 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 -2.06 0.26 -4.69 1.08 8.00 -1.26 -4.98 116.55 112.90 3m41 n ASP 174 Ca 0.05 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.23 3m41 n ASP 174 Cb 0.41 1.11 0.14 0.00 -0.02 0.00 0.00 41.12 42.77 3m41 n ASP 174 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3m41 s SER 175 N -5.22 3.33 -0.14 -2.24 0.01 -1.26 -4.91 113.70 103.27 3m41 s SER 175 Ca -0.09 2.30 -0.18 0.00 1.31 0.00 0.00 55.95 59.29 3m41 s SER 175 Cb 0.07 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 3m41 s SER 175 CO 0.80 -2.84 0.48 0.12 0.41 0.00 0.00 173.24 172.21 3m41 s PHE 176 N -2.34 3.47 -0.09 2.43 5.36 0.40 -4.97 117.98 122.25 3m41 s PHE 176 Ca 0.71 0.85 0.01 0.00 -0.96 0.00 0.00 56.93 57.54 3m41 s PHE 176 Cb -0.26 -2.58 0.02 0.00 -0.34 0.00 0.00 43.02 39.85 3m41 s PHE 176 CO 0.53 0.10 -0.12 -1.17 -1.46 0.00 0.00 175.22 173.10 3m41 s LEU 177 N 0.89 1.55 0.09 6.12 2.96 -1.26 -0.56 118.68 128.47 3m41 s LEU 177 Ca 0.25 -0.33 0.10 0.00 -0.22 0.00 0.00 54.13 53.92 3m41 s LEU 177 Cb -0.15 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.60 3m41 s LEU 177 CO 0.10 -0.01 -0.24 0.27 -1.32 0.00 0.00 176.35 175.15 3m41 s ILE 178 N 1.02 2.42 -0.05 6.68 -4.36 -0.49 0.27 121.20 126.69 3m41 s ILE 178 Ca -0.07 -1.54 -0.17 0.00 -0.26 0.00 0.00 60.65 58.61 3m41 s ILE 178 Cb -0.15 -2.04 0.03 0.00 1.25 0.00 0.00 42.46 41.55 3m41 s ILE 178 CO -0.01 0.20 0.39 -0.55 0.24 0.00 0.00 174.94 175.21 3m41 s SER 179 N -1.78 -0.32 0.00 4.36 0.15 -0.96 -1.73 113.70 113.42 3m41 s SER 179 Ca 0.14 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.15 3m41 s SER 179 Cb -0.10 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 3m41 s SER 179 CO 0.06 -0.40 0.35 -2.65 1.20 0.00 0.00 173.24 171.80 3m41 n PRO 180 N 1.60 0.41 0.00 5.44 -0.02 -1.26 -0.28 135.00 140.89 3m41 n PRO 180 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3m41 n PRO 180 Cb 0.56 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 3m41 n PRO 180 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3m41 n THR 192 N 0.66 0.00 1.44 3.45 -1.04 -1.26 -4.22 114.28 113.32 3m41 n THR 192 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 3m41 n THR 192 Cb 0.18 0.00 0.58 0.00 -1.82 0.00 0.00 70.33 69.27 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 0.22 -4.42 4.77 -1.26 -0.74 117.00 115.58 3m41 n LEU 193 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3m41 n LEU 193 Cb 0.00 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.36 3m41 n LEU 193 CO 0.00 0.00 0.82 0.03 -1.33 0.00 0.00 177.39 176.91 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 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 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 0.05 -1.02 1.19 -1.07 0.00 0.00 179.97 179.11 3m41 n PHE 195 N -3.12 0.00 -3.06 3.04 3.01 -0.55 -5.05 117.46 111.73 3m41 n PHE 195 Ca 0.03 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.18 3m41 n PHE 195 Cb 0.50 -0.01 -0.05 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 -2.01 3.35 -0.10 4.37 0.00 0.09 -4.86 121.76 122.60 3m41 s ALA 196 Ca -0.01 -0.08 0.15 0.00 0.00 0.00 0.00 51.96 52.02 3m41 s ALA 196 Cb 0.00 -2.71 -0.08 0.00 0.00 0.00 0.00 23.12 20.33 3m41 s ALA 196 CO 0.01 0.22 1.09 -0.44 0.00 0.00 0.00 175.76 176.64 3m41 h ASP 197 N 1.91 0.00 -5.02 0.00 3.32 -0.50 -3.39 116.42 112.74 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 40.54 3m41 h ASP 197 CO 0.65 0.63 -0.25 0.00 -1.72 0.00 0.00 179.24 178.55 3m41 s ALA 198 N -2.89 -0.78 0.06 3.45 0.00 -1.17 -4.74 121.76 115.70 3m41 s ALA 198 Ca -0.00 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.21 3m41 s ALA 198 Cb 0.08 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 3m41 s ALA 198 CO 0.79 -0.33 0.05 0.96 0.00 0.00 0.00 175.76 177.23 3m41 s ILE 199 N -1.85 4.40 -0.21 0.00 -4.36 -0.36 -2.28 121.20 116.54 3m41 s ILE 199 Ca -0.10 -0.75 -0.08 0.00 -0.26 0.00 0.00 60.65 59.47 3m41 s ILE 199 Cb -0.03 -3.08 -0.04 0.00 1.25 0.00 0.00 42.46 40.56 3m41 s ILE 199 CO 0.01 0.19 0.08 -0.63 0.24 0.00 0.00 174.94 174.82 3m41 s ILE 200 N -1.31 4.67 -0.06 8.37 1.01 0.62 -0.39 121.20 134.11 3m41 s ILE 200 Ca 0.26 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.88 3m41 s ILE 200 Cb -0.12 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.22 3m41 s ILE 200 CO 0.19 0.40 -0.13 -0.69 0.00 0.00 0.00 174.94 174.70 3m41 s VAL 201 N 0.91 1.21 0.00 2.92 1.01 -0.01 -4.40 120.40 122.04 3m41 s VAL 201 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3m41 s VAL 201 Cb -0.14 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.16 3m41 s VAL 201 CO 0.03 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3m41 n GLY 202 N 3.67 0.52 0.34 4.51 0.00 -1.26 -0.57 105.19 112.40 3m41 n GLY 202 Ca -0.22 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.87 3m41 n GLY 202 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3m41 h ARG 203 N 0.00 0.80 -0.04 1.61 2.43 -1.95 0.64 114.38 117.86 3m41 h ARG 203 Ca 0.00 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3m41 h ARG 203 Cb 0.00 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 3m41 h ARG 203 CO 0.00 0.53 0.19 0.77 -1.51 0.00 0.00 179.97 179.95 3m41 h SER 204 N 0.82 0.00 0.00 -3.80 0.02 -1.92 -0.34 113.55 108.34 3m41 h SER 204 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 3m41 h SER 204 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3m41 h SER 204 CO -0.30 0.00 -0.73 -0.38 -1.14 0.00 0.00 176.83 174.28 3m41 n ILE 205 N -3.15 1.41 0.28 3.27 5.41 0.08 -4.68 119.36 121.98 3m41 n ILE 205 Ca -0.01 0.21 0.18 0.00 1.00 0.00 0.00 62.75 64.12 3m41 n ILE 205 Cb 0.26 -2.14 0.71 0.00 -0.71 0.00 0.00 39.64 37.76 3m41 n ILE 205 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 176.55 176.65 3m41 h TYR 206 N -0.73 0.00 -2.70 1.39 -0.00 -1.16 -3.20 116.97 110.57 3m41 h TYR 206 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 58.73 58.04 3m41 h TYR 206 Cb 0.73 0.00 -0.36 0.00 0.00 0.00 0.00 36.73 37.10 3m41 h TYR 206 CO -0.31 0.00 -0.06 1.28 -0.00 0.00 0.00 178.16 179.07 3m41 n LEU 207 N -3.08 4.65 -3.72 0.10 4.77 -0.14 -4.99 117.00 114.59 3m41 n LEU 207 Ca 0.00 -5.30 -0.12 0.00 -0.03 0.00 0.00 56.01 50.57 3m41 n LEU 207 Cb 0.29 -0.95 -0.11 0.00 -2.33 0.00 0.00 43.42 40.32 3m41 n LEU 207 CO 0.27 1.82 0.04 0.00 -1.33 0.00 0.00 177.39 178.20 3m41 s ALA 208 N -2.29 -0.96 0.37 -1.18 0.00 -1.21 -4.71 121.76 111.79 3m41 s ALA 208 Ca 0.34 1.25 0.19 0.00 0.00 0.00 0.00 51.96 53.74 3m41 s ALA 208 Cb 0.06 -0.74 1.20 0.00 0.00 0.00 0.00 23.12 23.63 3m41 s ALA 208 CO -0.01 -0.21 1.65 -0.44 0.00 0.00 0.00 175.76 176.75 3m41 h ASP 209 N 6.25 0.43 -3.20 0.00 3.32 -1.94 -3.01 116.42 118.26 3m41 h ASP 209 Ca -0.31 0.18 -0.60 0.00 0.02 0.00 0.00 57.03 56.31 3m41 h ASP 209 Cb 1.18 0.14 -0.40 0.00 0.22 0.00 0.00 39.33 40.48 3m41 h ASP 209 CO 0.28 -0.17 -0.77 0.21 -1.72 0.00 0.00 179.24 177.07 3m41 s ASN 210 N -4.79 3.40 0.35 6.45 3.84 -1.26 -4.99 114.94 117.95 3m41 s ASN 210 Ca -0.09 -2.58 0.06 0.00 0.21 0.00 0.00 52.86 50.45 3m41 s ASN 210 Cb 0.30 -0.87 0.73 0.00 -0.55 0.00 0.00 41.25 40.86 3m41 s ASN 210 CO 0.80 -0.27 1.94 1.55 -2.79 0.00 0.00 177.10 178.33 3m41 h PRO 211 N 6.70 0.75 -0.75 0.43 0.13 -1.70 -0.96 132.00 136.61 3m41 h PRO 211 Ca 0.03 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 3m41 h PRO 211 Cb 0.93 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.86 3m41 h PRO 211 CO 0.43 0.50 0.29 0.00 -0.23 0.00 0.00 178.00 178.99 3m41 h ALA 212 N 1.59 1.10 -0.73 -0.56 0.00 -1.88 0.14 119.26 118.93 3m41 h ALA 212 Ca 0.34 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3m41 h ALA 212 Cb 0.31 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3m41 h ALA 212 CO -0.12 0.64 0.30 0.00 0.00 0.00 0.00 179.25 180.07 3m41 h ALA 213 N 1.22 0.95 -0.03 0.00 0.00 -1.57 0.19 119.26 120.02 3m41 h ALA 213 Ca 0.25 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3m41 h ALA 213 Cb 0.22 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3m41 h ALA 213 CO -0.02 0.56 0.01 0.00 0.00 0.00 0.00 179.25 179.80 3m41 h ALA 214 N 1.15 0.04 0.24 0.00 0.00 -0.80 -1.58 119.26 118.31 3m41 h ALA 214 Ca 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3m41 h ALA 214 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3m41 h ALA 214 CO -0.02 -0.32 -0.12 0.00 0.00 0.00 0.00 179.25 178.79 3m41 h ALA 215 N 0.76 -0.32 -0.95 0.00 0.00 -0.62 -1.10 119.26 117.02 3m41 h ALA 215 Ca 0.01 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.90 3m41 h ALA 215 Cb 0.27 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 3m41 h ALA 215 CO 0.00 -0.62 0.59 0.00 0.00 0.00 0.00 179.25 179.22 3m41 h ALA 216 N 0.28 1.39 -0.23 0.00 0.00 -1.01 -1.57 119.26 118.12 3m41 h ALA 216 Ca -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3m41 h ALA 216 Cb 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3m41 h ALA 216 CO 0.05 0.25 0.09 0.78 0.00 0.00 0.00 179.25 180.42 3m41 h GLY 217 N 0.99 0.38 0.78 0.00 0.00 -1.02 -2.13 103.07 102.07 3m41 h GLY 217 Ca 0.45 -0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.62 3m41 h GLY 217 CO -0.24 0.20 0.43 -2.22 0.00 0.00 0.00 176.54 174.71 3m41 h ILE 218 N 0.22 1.04 -0.13 2.60 2.04 -0.58 -1.77 117.51 120.93 3m41 h ILE 218 Ca 0.08 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 3m41 h ILE 218 Cb 0.19 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3m41 h ILE 218 CO -0.01 0.15 -0.12 0.40 0.00 0.00 0.00 178.15 178.58 3m41 h ILE 219 N 0.82 1.16 -0.18 -0.67 2.04 -1.11 -2.23 117.51 117.34 3m41 h ILE 219 Ca 0.30 -0.71 -0.09 0.00 1.00 0.00 0.00 64.86 65.36 3m41 h ILE 219 Cb 0.10 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3m41 h ILE 219 CO -0.14 0.22 -0.30 -0.33 0.00 0.00 0.00 178.15 177.60 3m41 h GLU 220 N 0.20 0.34 -0.47 2.37 4.39 -0.64 -2.75 114.58 118.02 3m41 h GLU 220 Ca 0.04 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.48 3m41 h GLU 220 Cb 0.34 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 3m41 h GLU 220 CO 0.02 0.62 -0.22 0.77 -1.16 0.00 0.00 179.01 179.04 3m41 h SER 221 N 0.30 0.97 0.00 1.42 0.02 -1.10 -2.47 113.55 112.70 3m41 h SER 221 Ca 0.04 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 3m41 h SER 221 Cb 0.69 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3m41 h SER 221 CO 0.05 1.15 0.00 -0.38 -1.14 0.00 0.00 176.83 176.51 3m41 n ILE 222 N -4.11 0.00 0.00 3.27 5.41 -1.02 -5.14 119.36 117.77 3m41 n ILE 222 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3m41 n ILE 222 Cb 0.45 -0.75 0.00 0.00 -0.71 0.00 0.00 39.64 38.63 3m41 n ILE 222 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84