#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lm6 s SER 2 N 0.00 4.40 0.21 3.17 1.04 -1.26 -4.83 113.70 116.43 1lm6 s SER 2 Ca 0.00 2.10 -0.10 0.00 0.48 0.00 0.00 55.95 58.43 1lm6 s SER 2 Cb 0.00 -2.56 0.17 0.00 0.10 0.00 0.00 66.02 63.73 1lm6 s SER 2 CO 0.00 -2.11 1.86 0.00 0.98 0.00 0.00 173.24 173.97 1lm6 h ALA 3 N -0.56 0.93 -0.79 5.32 0.00 -1.89 -1.16 119.26 121.10 1lm6 h ALA 3 Ca -0.46 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1lm6 h ALA 3 Cb 1.26 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1lm6 h ALA 3 CO 0.50 0.28 0.34 0.97 0.00 0.00 0.00 179.25 181.34 1lm6 h ILE 4 N 0.92 1.26 -0.47 0.00 2.10 -1.89 0.16 117.51 119.60 1lm6 h ILE 4 Ca 0.28 -0.79 -0.05 0.00 1.08 0.00 0.00 64.86 65.38 1lm6 h ILE 4 Cb -0.04 0.29 -0.02 0.00 -1.09 0.00 0.00 36.82 35.96 1lm6 h ILE 4 CO -0.09 0.33 0.09 -0.33 -1.08 0.00 0.00 178.15 177.07 1lm6 h GLU 5 N 1.15 0.76 -0.12 2.19 5.08 -1.84 -1.73 114.58 120.07 1lm6 h GLU 5 Ca 0.27 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1lm6 h GLU 5 Cb 0.19 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1lm6 h GLU 5 CO -0.03 0.76 0.03 -0.09 -1.00 0.00 0.00 179.01 178.69 1lm6 h ARG 6 N 0.63 0.19 0.00 2.33 2.43 -0.75 -3.20 114.38 116.02 1lm6 h ARG 6 Ca 0.14 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1lm6 h ARG 6 Cb 0.36 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1lm6 h ARG 6 CO 0.01 0.35 -0.33 0.82 -1.51 0.00 0.00 179.97 179.30 1lm6 h ILE 7 N 0.00 0.87 -0.21 1.20 2.04 -0.62 -3.12 117.51 117.68 1lm6 h ILE 7 Ca 0.04 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1lm6 h ILE 7 Cb 0.24 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1lm6 h ILE 7 CO -0.00 0.33 0.00 0.35 0.00 0.00 0.00 178.15 178.83 1lm6 n THR 8 N -3.61 0.27 -1.89 -0.27 -2.24 -0.66 -4.69 114.28 101.20 1lm6 n THR 8 Ca -0.01 -0.37 -0.40 0.00 -2.27 0.00 0.00 64.05 61.00 1lm6 n THR 8 Cb 0.46 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1lm6 n THR 8 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1lm6 s LYS 9 N -1.73 3.96 0.30 -0.78 -0.14 -1.18 -4.87 119.74 115.30 1lm6 s LYS 9 Ca 0.30 2.40 0.05 0.00 -1.36 0.00 0.00 55.97 57.35 1lm6 s LYS 9 Cb 0.16 -2.83 0.71 0.00 -1.68 0.00 0.00 37.83 34.19 1lm6 s LYS 9 CO 0.23 -0.59 1.76 0.00 -0.76 0.00 0.00 175.35 176.00 1lm6 h ALA 10 N 2.74 1.60 0.00 5.17 0.00 -1.92 -1.70 119.26 125.14 1lm6 h ALA 10 Ca -0.50 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1lm6 h ALA 10 Cb 1.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1lm6 h ALA 10 CO 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1lm6 n ALA 11 N -2.35 2.19 -1.91 0.00 0.00 -1.26 -4.88 120.51 112.28 1lm6 n ALA 11 Ca 0.22 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 1lm6 n ALA 11 Cb 0.57 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 1lm6 n ALA 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1lm6 s HIS 12 N -3.13 3.32 -0.21 0.00 5.04 -0.64 -5.02 115.29 114.66 1lm6 s HIS 12 Ca 0.10 1.41 0.01 0.00 -1.54 0.00 0.00 55.06 55.04 1lm6 s HIS 12 Cb 0.12 -3.51 0.03 0.00 0.04 0.00 0.00 32.58 29.26 1lm6 s HIS 12 CO 0.56 -1.44 -0.16 -0.51 -2.34 0.00 0.00 174.74 170.84 1lm6 s LEU 13 N -0.78 2.54 0.25 8.88 1.43 -1.26 -4.94 118.68 124.80 1lm6 s LEU 13 Ca 0.52 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 1lm6 s LEU 13 Cb -0.35 -1.52 -0.10 0.00 0.03 0.00 0.00 46.19 44.25 1lm6 s LEU 13 CO 0.42 -0.06 1.42 -0.63 0.23 0.00 0.00 176.35 177.73 1lm6 s ILE 14 N 1.25 2.70 0.29 -0.59 1.01 -1.26 -4.99 121.20 119.62 1lm6 s ILE 14 Ca 0.01 0.60 0.06 0.00 0.00 0.00 0.00 60.65 61.32 1lm6 s ILE 14 Cb -0.15 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 1lm6 s ILE 14 CO -0.10 0.10 0.23 -0.90 0.00 0.00 0.00 174.94 174.26 1lm6 n ASP 15 N 2.24 -0.40 0.30 3.58 5.68 -1.26 -4.87 116.55 121.81 1lm6 n ASP 15 Ca 0.06 -2.88 0.18 0.00 -0.50 0.00 0.00 54.79 51.65 1lm6 n ASP 15 Cb 0.41 1.37 0.92 0.00 -1.14 0.00 0.00 41.12 42.68 1lm6 n ASP 15 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1lm6 h MET 16 N 0.00 0.00 0.00 0.11 2.86 -1.83 0.46 114.93 116.53 1lm6 h MET 16 Ca -0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1lm6 h MET 16 Cb 1.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1lm6 h MET 16 CO 0.31 0.00 0.00 -0.91 1.06 0.00 0.00 176.91 177.37 1lm6 h ASN 17 N 0.00 0.00 0.96 1.22 2.35 -1.95 -2.45 115.58 115.71 1lm6 h ASN 17 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1lm6 h ASN 17 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1lm6 h ASN 17 CO -0.00 0.00 -0.33 0.47 -1.65 0.00 0.00 177.43 175.92 1lm6 n ASP 18 N -2.67 0.56 -4.61 5.81 8.00 0.15 -4.79 116.55 119.00 1lm6 n ASP 18 Ca 0.03 0.23 -0.41 0.00 0.71 0.00 0.00 54.79 55.34 1lm6 n ASP 18 Cb 0.36 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 1lm6 n ASP 18 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lm6 s ILE 19 N -3.09 4.89 0.53 0.53 1.01 -0.92 -4.32 121.20 119.83 1lm6 s ILE 19 Ca 0.10 1.01 -0.17 0.00 0.00 0.00 0.00 60.65 61.58 1lm6 s ILE 19 Cb 0.15 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.51 1lm6 s ILE 19 CO 0.65 -0.16 1.02 0.27 0.00 0.00 0.00 174.94 176.72 1lm6 s ILE 20 N 2.72 4.13 0.41 2.92 -4.36 0.51 -4.99 121.20 122.54 1lm6 s ILE 20 Ca 0.28 1.11 0.07 0.00 -0.26 0.00 0.00 60.65 61.85 1lm6 s ILE 20 Cb -0.15 -3.54 -0.04 0.00 1.25 0.00 0.00 42.46 39.98 1lm6 s ILE 20 CO 0.12 -0.50 0.24 -0.13 0.24 0.00 0.00 174.94 174.90 1lm6 s ARG 21 N -3.82 2.32 0.62 0.37 1.81 -1.26 -4.50 118.95 114.49 1lm6 s ARG 21 Ca 0.62 -1.75 -0.17 0.00 -1.72 0.00 0.00 55.73 52.71 1lm6 s ARG 21 Cb -0.13 -2.10 -0.15 0.00 -0.45 0.00 0.00 34.95 32.12 1lm6 s ARG 21 CO 0.29 -0.14 -0.30 0.39 -0.68 0.00 0.00 175.30 174.86 1lm6 n GLU 22 N -1.33 0.00 0.00 3.54 1.02 -0.57 -1.46 120.64 121.84 1lm6 n GLU 22 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1lm6 n GLU 22 Cb 0.64 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 1lm6 n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lm6 n GLY 23 N 2.72 2.80 3.67 0.62 0.00 -1.26 -4.97 105.19 108.78 1lm6 n GLY 23 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1lm6 n GLY 23 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lm6 s ASN 24 N 0.11 6.95 0.46 1.61 3.84 -0.54 -4.88 114.94 122.50 1lm6 s ASN 24 Ca 0.00 1.83 0.25 0.00 0.21 0.00 0.00 52.86 55.15 1lm6 s ASN 24 Cb 0.00 -2.55 1.28 0.00 -0.55 0.00 0.00 41.25 39.43 1lm6 s ASN 24 CO 0.00 -0.70 1.82 -0.65 -2.79 0.00 0.00 177.10 174.78 1lm6 h PRO 25 N 7.96 0.22 -0.25 0.43 0.11 -1.93 -2.39 132.00 136.14 1lm6 h PRO 25 Ca -0.32 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.85 1lm6 h PRO 25 Cb 1.14 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1lm6 h PRO 25 CO 0.93 0.14 0.21 1.15 -0.21 0.00 0.00 178.00 180.22 1lm6 h THR 26 N 0.22 0.67 0.00 -1.15 2.02 -1.92 -0.25 112.91 112.51 1lm6 h THR 26 Ca 0.52 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.70 1lm6 h THR 26 Cb 1.64 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1lm6 h THR 26 CO -0.15 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.92 1lm6 n LEU 27 N -4.15 0.00 -0.23 2.58 4.77 -0.90 -2.83 117.00 116.24 1lm6 n LEU 27 Ca 0.03 0.47 0.02 0.00 -0.03 0.00 0.00 56.01 56.50 1lm6 n LEU 27 Cb 0.36 -0.47 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1lm6 n LEU 27 CO 0.32 -0.15 0.50 0.54 -1.33 0.00 0.00 177.39 177.27 1lm6 n ARG 28 N -1.47 2.16 -3.95 3.23 5.12 -0.11 -4.20 116.66 117.44 1lm6 n ARG 28 Ca 0.06 -1.49 -0.30 0.00 -1.93 0.00 0.00 57.85 54.18 1lm6 n ARG 28 Cb 0.22 -1.10 -0.04 0.00 -1.16 0.00 0.00 32.46 30.38 1lm6 n ARG 28 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1lm6 s THR 29 N -0.85 5.23 -0.14 0.55 -4.23 -1.13 -4.71 115.64 110.37 1lm6 s THR 29 Ca 0.08 -0.50 -0.26 0.00 -1.18 0.00 0.00 61.69 59.83 1lm6 s THR 29 Cb 0.05 -3.57 -0.02 0.00 1.34 0.00 0.00 72.50 70.30 1lm6 s THR 29 CO 0.06 0.10 0.84 -0.69 -0.54 0.00 0.00 174.62 174.40 1lm6 s VAL 30 N -1.53 4.89 0.53 2.29 1.01 -1.26 -3.59 120.40 122.75 1lm6 s VAL 30 Ca 0.34 1.68 -0.20 0.00 0.00 0.00 0.00 61.98 63.81 1lm6 s VAL 30 Cb -0.13 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 1lm6 s VAL 30 CO 0.27 0.06 1.13 0.00 0.00 0.00 0.00 175.10 176.56 1lm6 s ALA 31 N 1.87 2.73 0.17 5.51 0.00 -0.08 -5.00 121.76 126.95 1lm6 s ALA 31 Ca 0.40 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 1lm6 s ALA 31 Cb -0.17 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 1lm6 s ALA 31 CO 0.15 -0.73 0.97 -1.21 0.00 0.00 0.00 175.76 174.94 1lm6 s GLU 32 N -3.24 4.75 0.60 0.00 0.41 -0.56 -4.64 118.70 116.02 1lm6 s GLU 32 Ca 0.72 1.51 -0.19 0.00 -0.41 0.00 0.00 54.97 56.60 1lm6 s GLU 32 Cb -0.24 -3.32 -0.03 0.00 -1.78 0.00 0.00 34.13 28.76 1lm6 s GLU 32 CO 0.27 0.32 1.22 -2.00 -0.49 0.00 0.00 175.26 174.57 1lm6 s GLU 33 N -0.55 2.94 0.26 1.61 2.12 -1.26 -1.58 118.70 122.24 1lm6 s GLU 33 Ca 0.45 1.85 -0.05 0.00 0.36 0.00 0.00 54.97 57.58 1lm6 s GLU 33 Cb -0.25 -1.92 -0.05 0.00 0.26 0.00 0.00 34.13 32.16 1lm6 s GLU 33 CO 0.32 -1.24 0.51 0.14 -0.54 0.00 0.00 175.26 174.45 1lm6 s VAL 34 N -1.57 5.06 0.23 3.70 -7.23 -1.26 -4.84 120.40 114.48 1lm6 s VAL 34 Ca 0.78 0.02 0.07 0.00 -1.81 0.00 0.00 61.98 61.04 1lm6 s VAL 34 Cb -0.31 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 32.88 1lm6 s VAL 34 CO 0.34 -0.25 0.13 0.42 -0.31 0.00 0.00 175.10 175.43 1lm6 s THR 35 N -2.00 4.24 -0.02 5.32 -4.23 -1.26 -4.93 115.64 112.75 1lm6 s THR 35 Ca 0.43 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.56 1lm6 s THR 35 Cb -0.11 -3.24 -0.03 0.00 1.34 0.00 0.00 72.50 70.46 1lm6 s THR 35 CO 0.29 -0.28 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.63 1lm6 s PHE 36 N -2.04 2.82 0.60 3.99 0.40 -1.26 -3.57 117.98 118.92 1lm6 s PHE 36 Ca 0.32 -0.08 -0.16 0.00 -0.60 0.00 0.00 56.93 56.41 1lm6 s PHE 36 Cb -0.08 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 1lm6 s PHE 36 CO 0.23 0.30 1.09 -1.25 0.70 0.00 0.00 175.22 176.30 1lm6 s PRO 37 N -1.10 3.16 0.57 0.24 0.04 -1.26 -5.15 135.00 131.50 1lm6 s PRO 37 Ca 0.14 1.37 -0.18 0.00 0.04 0.00 0.00 61.00 62.37 1lm6 s PRO 37 Cb -0.11 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1lm6 s PRO 37 CO 0.04 -0.96 1.10 -0.51 0.04 0.00 0.00 177.00 176.70 1lm6 s LEU 38 N -4.43 3.65 0.69 -3.56 1.43 -1.23 -5.03 118.68 110.20 1lm6 s LEU 38 Ca 0.67 2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 55.69 1lm6 s LEU 38 Cb -0.19 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.47 1lm6 s LEU 38 CO 0.35 -1.21 1.08 -0.94 0.23 0.00 0.00 176.35 175.86 1lm6 s SER 39 N -2.16 5.56 0.29 2.29 1.04 -1.26 -4.92 113.70 114.54 1lm6 s SER 39 Ca 0.69 1.26 -0.02 0.00 0.48 0.00 0.00 55.95 58.36 1lm6 s SER 39 Cb -0.20 -2.13 0.42 0.00 0.10 0.00 0.00 66.02 64.21 1lm6 s SER 39 CO 0.30 -1.28 1.95 0.44 0.98 0.00 0.00 173.24 175.63 1lm6 h ASP 40 N -0.61 0.99 -0.89 7.02 3.32 -2.00 -1.80 116.42 122.46 1lm6 h ASP 40 Ca -0.45 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 1lm6 h ASP 40 Cb 1.23 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.50 1lm6 h ASP 40 CO 0.62 0.70 0.52 1.56 -1.72 0.00 0.00 179.24 180.93 1lm6 h GLN 41 N 1.16 1.22 -0.21 3.56 4.20 -1.97 0.67 115.11 123.74 1lm6 h GLN 41 Ca 0.34 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.84 1lm6 h GLN 41 Cb -0.07 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.45 1lm6 h GLN 41 CO -0.09 0.87 -0.26 0.93 -0.67 0.00 0.00 178.83 179.61 1lm6 h GLU 42 N 1.24 0.39 -0.07 1.46 5.08 -1.71 0.31 114.58 121.28 1lm6 h GLU 42 Ca 0.32 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1lm6 h GLU 42 Cb -0.03 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1lm6 h GLU 42 CO -0.06 0.63 -0.09 0.82 -1.00 0.00 0.00 179.01 179.31 1lm6 h ILE 43 N 0.35 1.39 -0.92 3.13 2.04 -0.89 -2.80 117.51 119.82 1lm6 h ILE 43 Ca 0.05 -1.30 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 1lm6 h ILE 43 Cb 0.64 2.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.77 1lm6 h ILE 43 CO 0.05 0.36 0.57 0.40 0.00 0.00 0.00 178.15 179.53 1lm6 h ILE 44 N -0.27 1.25 -0.58 -0.67 2.04 -0.54 -2.03 117.51 116.70 1lm6 h ILE 44 Ca 0.01 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.38 1lm6 h ILE 44 Cb 0.62 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 1lm6 h ILE 44 CO 0.02 0.25 0.35 0.25 0.00 0.00 0.00 178.15 179.03 1lm6 h LEU 45 N 1.26 0.57 -0.83 1.44 5.85 -0.33 0.10 115.31 123.38 1lm6 h LEU 45 Ca 0.33 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 1lm6 h LEU 45 Cb -0.08 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1lm6 h LEU 45 CO -0.07 0.40 0.48 1.23 -0.34 0.00 0.00 178.44 180.14 1lm6 h GLY 46 N 0.69 1.22 1.06 3.75 0.00 -1.14 0.64 103.07 109.28 1lm6 h GLY 46 Ca 0.23 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1lm6 h GLY 46 CO -0.10 0.51 0.20 0.83 0.00 0.00 0.00 176.54 177.98 1lm6 h GLU 47 N 1.14 1.13 -0.53 4.80 5.08 -0.70 -1.28 114.58 124.23 1lm6 h GLU 47 Ca 0.29 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1lm6 h GLU 47 Cb -0.01 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1lm6 h GLU 47 CO -0.05 0.98 0.03 0.87 -1.00 0.00 0.00 179.01 179.84 1lm6 h LYS 48 N 1.07 0.87 -0.39 2.33 1.79 -0.05 0.17 116.57 122.36 1lm6 h LYS 48 Ca 0.23 -0.23 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1lm6 h LYS 48 Cb 0.34 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 1lm6 h LYS 48 CO -0.00 0.85 0.06 0.52 -1.08 0.00 0.00 179.45 179.80 1lm6 h MET 49 N 0.81 0.64 -0.39 3.15 2.86 -0.51 -0.91 114.93 120.59 1lm6 h MET 49 Ca 0.16 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 1lm6 h MET 49 Cb 0.45 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1lm6 h MET 49 CO 0.02 0.70 -0.18 1.98 1.06 0.00 0.00 176.91 180.49 1lm6 h MET 50 N 0.49 0.74 -0.79 1.72 1.85 -1.00 -2.18 114.93 115.76 1lm6 h MET 50 Ca 0.12 -0.27 -0.04 0.00 -0.61 0.00 0.00 59.70 58.90 1lm6 h MET 50 Cb 0.37 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.32 1lm6 h MET 50 CO 0.01 0.86 0.33 0.37 -0.40 0.00 0.00 176.91 178.08 1lm6 h GLN 51 N 0.65 1.16 -0.61 0.39 5.75 -0.68 -1.41 115.11 120.37 1lm6 h GLN 51 Ca 0.10 -0.20 0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1lm6 h GLN 51 Cb 0.66 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.98 1lm6 h GLN 51 CO 0.05 0.93 0.38 0.35 -2.65 0.00 0.00 178.83 177.89 1lm6 h PHE 52 N 1.14 0.72 -0.69 3.99 3.57 -0.77 0.15 116.94 125.05 1lm6 h PHE 52 Ca 0.26 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 1lm6 h PHE 52 Cb 0.19 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1lm6 h PHE 52 CO 0.02 0.42 0.29 -0.07 -2.23 0.00 0.00 178.31 176.74 1lm6 h LEU 53 N 0.76 0.92 -0.46 0.59 3.38 -0.79 0.21 115.31 119.91 1lm6 h LEU 53 Ca 0.24 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1lm6 h LEU 53 Cb -0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1lm6 h LEU 53 CO -0.09 0.81 -0.10 0.11 0.09 0.00 0.00 178.44 179.26 1lm6 h LYS 54 N 0.99 0.89 -0.41 1.13 1.57 -0.70 -1.93 116.57 118.11 1lm6 h LYS 54 Ca 0.23 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1lm6 h LYS 54 Cb 0.17 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1lm6 h LYS 54 CO -0.02 0.98 0.05 0.45 -0.57 0.00 0.00 179.45 180.33 1lm6 h HIS 55 N 0.73 0.75 0.00 -1.35 3.86 -0.30 -2.38 115.15 116.47 1lm6 h HIS 55 Ca 0.12 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1lm6 h HIS 55 Cb 0.65 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 1lm6 h HIS 55 CO 0.05 0.74 -0.01 0.66 0.86 0.00 0.00 177.93 180.23 1lm6 h SER 56 N 0.55 0.00 -0.01 2.45 4.64 -0.37 -2.18 113.55 118.63 1lm6 h SER 56 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1lm6 h SER 56 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1lm6 h SER 56 CO 0.01 0.01 -0.40 0.00 -0.87 0.00 0.00 176.83 175.58 1lm6 n GLN 57 N -3.20 1.36 -3.32 4.77 6.02 -0.75 -3.97 117.38 118.29 1lm6 n GLN 57 Ca -0.02 -1.11 -0.40 0.00 -0.01 0.00 0.00 57.00 55.46 1lm6 n GLN 57 Cb 0.12 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 29.81 1lm6 n GLN 57 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1lm6 s ASP 58 N -2.41 6.31 0.15 1.08 -1.08 -0.83 -4.97 116.67 114.92 1lm6 s ASP 58 Ca 0.20 0.23 -0.18 0.00 -0.52 0.00 0.00 52.55 52.29 1lm6 s ASP 58 Cb 0.18 -2.24 0.05 0.00 -1.46 0.00 0.00 42.92 39.46 1lm6 s ASP 58 CO 0.53 -0.29 1.68 -0.65 0.52 0.00 0.00 175.17 176.96 1lm6 h PRO 59 N 8.22 0.01 0.03 4.34 0.11 -1.88 1.19 132.00 144.02 1lm6 h PRO 59 Ca -0.30 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 1lm6 h PRO 59 Cb 1.15 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1lm6 h PRO 59 CO 0.69 0.00 -0.01 0.28 -0.21 0.00 0.00 178.00 178.75 1lm6 h VAL 60 N 0.01 1.02 -0.33 3.15 2.07 -1.93 -1.68 116.25 118.55 1lm6 h VAL 60 Ca 0.16 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 1lm6 h VAL 60 Cb 0.24 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1lm6 h VAL 60 CO -0.34 0.03 -0.23 -0.03 0.02 0.00 0.00 177.57 177.03 1lm6 h MET 61 N -0.10 0.75 -0.94 1.57 -1.53 -1.75 -2.39 114.93 110.53 1lm6 h MET 61 Ca -0.00 -0.36 0.05 0.00 -3.44 0.00 0.00 59.70 55.95 1lm6 h MET 61 Cb 0.09 -0.01 -0.06 0.00 -0.55 0.00 0.00 31.60 31.07 1lm6 h MET 61 CO 0.01 0.97 0.62 0.00 0.14 0.00 0.00 176.91 178.65 1lm6 h ALA 62 N 0.76 1.43 -0.09 0.39 0.00 0.16 -0.67 119.26 121.24 1lm6 h ALA 62 Ca 0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1lm6 h ALA 62 Cb 0.79 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1lm6 h ALA 62 CO 0.06 0.46 -0.09 1.49 0.00 0.00 0.00 179.25 181.17 1lm6 h GLU 63 N 1.15 0.22 -0.90 0.00 4.81 -1.22 0.13 114.58 118.76 1lm6 h GLU 63 Ca 0.39 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 1lm6 h GLU 63 Cb 0.08 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1lm6 h GLU 63 CO -0.13 0.65 0.59 0.87 -0.73 0.00 0.00 179.01 180.26 1lm6 h LYS 64 N -0.21 1.08 -0.01 1.92 1.57 -1.02 -2.44 116.57 117.47 1lm6 h LYS 64 Ca 0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1lm6 h LYS 64 Cb 0.61 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1lm6 h LYS 64 CO 0.02 0.71 -0.34 -1.33 -0.57 0.00 0.00 179.45 177.95 1lm6 n MET 65 N -4.45 0.79 -2.99 3.15 2.81 -0.29 -4.95 117.12 111.18 1lm6 n MET 65 Ca 0.12 -0.51 -0.12 0.00 -1.81 0.00 0.00 57.70 55.39 1lm6 n MET 65 Cb 0.12 -1.49 0.05 0.00 -0.71 0.00 0.00 33.22 31.19 1lm6 n MET 65 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1lm6 n GLY 66 N 1.37 0.03 3.88 3.03 0.00 -0.45 -4.69 105.19 108.36 1lm6 n GLY 66 Ca 0.11 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1lm6 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lm6 s LEU 67 N -4.62 4.20 0.01 0.99 1.43 0.32 -4.69 118.68 116.33 1lm6 s LEU 67 Ca 0.18 0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.34 1lm6 s LEU 67 Cb -0.08 -2.79 -0.06 0.00 0.03 0.00 0.00 46.19 43.30 1lm6 s LEU 67 CO 0.43 0.18 0.40 -0.13 0.23 0.00 0.00 176.35 177.46 1lm6 s ARG 68 N -2.41 3.87 0.29 1.70 0.52 -1.26 -4.74 118.95 116.91 1lm6 s ARG 68 Ca 0.33 0.35 -0.29 0.00 -0.52 0.00 0.00 55.73 55.59 1lm6 s ARG 68 Cb -0.13 -3.17 -0.10 0.00 0.52 0.00 0.00 34.95 32.08 1lm6 s ARG 68 CO 0.25 0.67 1.26 0.20 0.02 0.00 0.00 175.30 177.70 1lm6 s GLY 69 N -1.22 2.89 0.12 -3.53 0.00 -1.25 -4.78 107.32 99.55 1lm6 s GLY 69 Ca 0.25 1.14 -0.09 0.00 0.00 0.00 0.00 44.72 46.03 1lm6 s GLY 69 CO 0.14 1.85 0.23 -0.32 0.00 0.00 0.00 173.10 175.00 1lm6 s GLY 70 N -0.39 0.27 0.00 0.20 0.00 -1.26 -5.02 107.32 101.12 1lm6 s GLY 70 Ca 0.50 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1lm6 s GLY 70 CO 0.47 -0.83 0.45 3.33 0.00 0.00 0.00 173.10 176.52 1lm6 n VAL 71 N -0.13 0.07 -3.61 1.40 0.24 -1.26 -4.76 118.33 110.28 1lm6 n VAL 71 Ca -0.12 -0.44 -0.13 0.00 -2.04 0.00 0.00 64.34 61.61 1lm6 n VAL 71 Cb 0.63 1.13 -0.05 0.00 -1.47 0.00 0.00 33.84 34.08 1lm6 n VAL 71 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1lm6 s GLY 72 N -0.07 -0.35 -0.24 7.63 0.00 -1.26 -0.16 107.32 112.86 1lm6 s GLY 72 Ca 0.00 0.34 -0.20 0.00 0.00 0.00 0.00 44.72 44.86 1lm6 s GLY 72 CO 0.00 0.06 0.64 -2.27 0.00 0.00 0.00 173.10 171.53 1lm6 s LEU 73 N -2.22 -0.55 0.03 0.66 2.96 -0.15 -4.99 118.68 114.43 1lm6 s LEU 73 Ca -0.03 1.32 0.07 0.00 -0.22 0.00 0.00 54.13 55.26 1lm6 s LEU 73 Cb -0.00 2.18 -0.03 0.00 0.50 0.00 0.00 46.19 48.84 1lm6 s LEU 73 CO -0.05 -0.22 -0.17 0.00 -1.32 0.00 0.00 176.35 174.58 1lm6 s ALA 74 N 0.74 2.62 0.39 5.97 0.00 -1.26 -0.27 121.76 129.95 1lm6 s ALA 74 Ca -0.03 -1.17 0.13 0.00 0.00 0.00 0.00 51.96 50.89 1lm6 s ALA 74 Cb -0.05 -0.78 0.94 0.00 0.00 0.00 0.00 23.12 23.24 1lm6 s ALA 74 CO -0.05 0.57 1.89 0.00 0.00 0.00 0.00 175.76 178.17 1lm6 h ALA 75 N 4.60 1.99 -0.10 0.00 0.00 -1.33 0.66 119.26 125.08 1lm6 h ALA 75 Ca -0.47 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.47 1lm6 h ALA 75 Cb 1.15 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1lm6 h ALA 75 CO 0.48 -0.22 0.10 -1.35 0.00 0.00 0.00 179.25 178.26 1lm6 h PRO 76 N 0.55 0.00 0.00 0.00 0.11 -1.57 0.15 132.00 131.24 1lm6 h PRO 76 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1lm6 h PRO 76 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1lm6 h PRO 76 CO -0.17 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.66 1lm6 n GLN 77 N -3.94 0.12 -0.34 1.05 6.02 0.22 -0.89 117.38 119.62 1lm6 n GLN 77 Ca -0.01 0.39 0.07 0.00 -0.01 0.00 0.00 57.00 57.45 1lm6 n GLN 77 Cb 0.21 -1.74 0.23 0.00 1.02 0.00 0.00 30.24 29.95 1lm6 n GLN 77 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1lm6 n LEU 78 N -1.97 3.58 -1.34 1.08 4.77 0.44 -0.36 117.00 123.20 1lm6 n LEU 78 Ca 0.02 -2.34 -0.12 0.00 -0.03 0.00 0.00 56.01 53.55 1lm6 n LEU 78 Cb 0.18 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1lm6 n LEU 78 CO 0.16 0.75 -0.15 -0.67 -1.33 0.00 0.00 177.39 176.15 1lm6 n ASP 79 N 0.45 -3.81 -4.11 -1.43 2.03 -0.07 -4.84 116.55 104.77 1lm6 n ASP 79 Ca 0.18 -0.01 -0.33 0.00 0.52 0.00 0.00 54.79 55.15 1lm6 n ASP 79 Cb 0.64 -3.01 -0.15 0.00 -0.72 0.00 0.00 41.12 37.88 1lm6 n ASP 79 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1lm6 s ILE 80 N -2.59 2.39 -1.43 5.18 1.01 -0.69 -4.78 121.20 120.28 1lm6 s ILE 80 Ca 0.00 -1.46 -0.10 0.00 0.00 0.00 0.00 60.65 59.09 1lm6 s ILE 80 Cb 0.00 -2.34 0.06 0.00 0.01 0.00 0.00 42.46 40.19 1lm6 s ILE 80 CO 0.00 0.03 2.36 -0.24 0.00 0.00 0.00 174.94 177.10 1lm6 n SER 81 N 4.51 6.41 -4.19 3.58 2.88 -1.26 -1.83 113.62 123.72 1lm6 n SER 81 Ca -0.15 -2.91 -0.21 0.00 -1.33 0.00 0.00 58.87 54.27 1lm6 n SER 81 Cb 0.44 -1.52 -0.13 0.00 -0.75 0.00 0.00 64.21 62.25 1lm6 n SER 81 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1lm6 s LYS 82 N 1.20 0.99 -1.37 -1.46 1.02 -1.26 -1.49 119.74 117.36 1lm6 s LYS 82 Ca 0.53 -0.92 -0.15 0.00 0.02 0.00 0.00 55.97 55.45 1lm6 s LYS 82 Cb 0.15 -1.06 0.07 0.00 -0.52 0.00 0.00 37.83 36.47 1lm6 s LYS 82 CO -0.06 0.25 1.98 0.54 -0.92 0.00 0.00 175.35 177.15 1lm6 n ARG 83 N 1.55 3.07 -4.02 1.68 1.74 -0.61 -4.40 116.66 115.67 1lm6 n ARG 83 Ca -0.19 -3.00 -0.19 0.00 -0.77 0.00 0.00 57.85 53.71 1lm6 n ARG 83 Cb 0.54 -3.31 -0.16 0.00 -1.02 0.00 0.00 32.46 28.51 1lm6 n ARG 83 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1lm6 s ILE 84 N 3.18 0.34 0.09 0.55 1.01 -1.26 -0.39 121.20 124.71 1lm6 s ILE 84 Ca 0.48 -0.00 0.01 0.00 0.00 0.00 0.00 60.65 61.15 1lm6 s ILE 84 Cb 0.09 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 42.11 1lm6 s ILE 84 CO -0.02 0.19 -0.06 0.27 0.00 0.00 0.00 174.94 175.32 1lm6 s ILE 85 N 1.03 0.64 -0.03 2.92 -4.36 -0.17 -1.12 121.20 120.12 1lm6 s ILE 85 Ca -0.10 -1.92 0.04 0.00 -0.26 0.00 0.00 60.65 58.41 1lm6 s ILE 85 Cb -0.14 -1.66 -0.00 0.00 1.25 0.00 0.00 42.46 41.91 1lm6 s ILE 85 CO -0.01 -0.88 -0.13 0.00 0.24 0.00 0.00 174.94 174.15 1lm6 s ALA 86 N -3.64 1.15 -0.01 2.27 0.00 0.63 -0.51 121.76 121.65 1lm6 s ALA 86 Ca 0.11 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.58 1lm6 s ALA 86 Cb 0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 1lm6 s ALA 86 CO -0.05 0.23 -0.09 0.14 0.00 0.00 0.00 175.76 175.98 1lm6 s VAL 87 N -0.03 0.73 -0.28 0.00 -7.23 -0.21 -0.97 120.40 112.41 1lm6 s VAL 87 Ca -0.00 -0.38 -0.01 0.00 -1.81 0.00 0.00 61.98 59.78 1lm6 s VAL 87 Cb -0.08 -0.63 0.13 0.00 0.56 0.00 0.00 36.38 36.36 1lm6 s VAL 87 CO 0.01 0.21 0.30 -0.22 -0.31 0.00 0.00 175.10 175.09 1lm6 s LEU 88 N -0.10 -0.28 -0.29 1.32 2.96 0.77 -1.04 118.68 122.02 1lm6 s LEU 88 Ca 0.02 -0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 53.27 1lm6 s LEU 88 Cb -0.05 0.56 0.02 0.00 0.50 0.00 0.00 46.19 47.23 1lm6 s LEU 88 CO -0.00 -0.37 0.04 -0.69 -1.32 0.00 0.00 176.35 174.00 1lm6 s VAL 89 N 2.38 3.54 0.53 1.68 1.01 0.79 -4.46 120.40 125.87 1lm6 s VAL 89 Ca 0.09 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 1lm6 s VAL 89 Cb -0.14 -2.87 -0.06 0.00 0.00 0.00 0.00 36.38 33.31 1lm6 s VAL 89 CO -0.29 0.05 1.10 -2.16 0.00 0.00 0.00 175.10 173.80 1lm6 s PRO 90 N 1.41 3.48 -0.06 2.72 0.04 -1.26 -0.37 135.00 140.96 1lm6 s PRO 90 Ca 0.00 1.51 -0.23 0.00 0.04 0.00 0.00 61.00 62.32 1lm6 s PRO 90 Cb -0.18 -2.03 -0.18 0.00 0.04 0.00 0.00 34.50 32.15 1lm6 s PRO 90 CO 0.00 -0.73 0.92 -0.97 0.04 0.00 0.00 177.00 176.27 1lm6 h ASN 91 N 1.25 -0.10 -3.32 6.66 -0.73 -1.98 -3.40 115.58 113.96 1lm6 h ASN 91 Ca -0.50 -0.50 -0.56 0.00 1.87 0.00 0.00 56.30 56.61 1lm6 h ASN 91 Cb 1.25 0.03 -0.05 0.00 0.27 0.00 0.00 38.32 39.82 1lm6 h ASN 91 CO 0.57 0.52 0.02 -0.31 -0.37 0.00 0.00 177.43 177.87 1lm6 s TYR 103 N -3.33 3.74 0.12 0.67 1.51 -1.26 -5.19 117.35 113.61 1lm6 s TYR 103 Ca -0.14 1.29 -0.01 0.00 -1.01 0.00 0.00 57.07 57.20 1lm6 s TYR 103 Cb 0.00 -2.62 -0.16 0.00 -0.11 0.00 0.00 41.96 39.07 1lm6 s TYR 103 CO 0.55 0.41 1.26 0.22 -1.11 0.00 0.00 175.55 176.88 1lm6 h ASP 104 N 5.28 0.34 -3.39 2.29 -0.00 -0.93 -3.45 116.42 116.56 1lm6 h ASP 104 Ca -0.46 -0.32 -0.21 0.00 -0.00 0.00 0.00 57.03 56.05 1lm6 h ASP 104 Cb 1.20 -0.11 -0.30 0.00 -0.00 0.00 0.00 39.33 40.13 1lm6 h ASP 104 CO 0.68 1.18 -0.51 -0.22 -0.00 0.00 0.00 179.24 180.37 1lm6 s LEU 105 N -7.28 0.51 -0.20 2.28 2.96 -1.11 -4.99 118.68 110.86 1lm6 s LEU 105 Ca -0.03 0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 54.31 1lm6 s LEU 105 Cb 0.09 0.65 0.09 0.00 0.50 0.00 0.00 46.19 47.52 1lm6 s LEU 105 CO 0.86 -0.16 0.24 -0.70 -1.32 0.00 0.00 176.35 175.27 1lm6 s GLU 106 N 1.19 0.20 -0.14 1.98 2.12 -1.26 -0.15 118.70 122.64 1lm6 s GLU 106 Ca -0.09 0.31 -0.22 0.00 0.36 0.00 0.00 54.97 55.33 1lm6 s GLU 106 Cb -0.10 -0.97 0.05 0.00 0.26 0.00 0.00 34.13 33.37 1lm6 s GLU 106 CO -0.08 -0.60 0.56 0.00 -0.54 0.00 0.00 175.26 174.60 1lm6 s ALA 107 N 2.36 -1.41 -0.21 6.30 0.00 -0.21 -5.00 121.76 123.59 1lm6 s ALA 107 Ca 0.07 1.35 -0.05 0.00 0.00 0.00 0.00 51.96 53.33 1lm6 s ALA 107 Cb -0.15 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 1lm6 s ALA 107 CO -0.12 -0.29 -0.00 0.42 0.00 0.00 0.00 175.76 175.76 1lm6 s ILE 108 N -0.31 3.85 -0.11 0.00 1.01 -1.26 -1.05 121.20 123.32 1lm6 s ILE 108 Ca -0.05 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.29 1lm6 s ILE 108 Cb -0.03 -2.75 -0.00 0.00 0.01 0.00 0.00 42.46 39.69 1lm6 s ILE 108 CO 0.04 0.42 -0.22 -0.04 0.00 0.00 0.00 174.94 175.14 1lm6 s MET 109 N 1.14 3.11 -0.13 2.79 -1.94 0.33 -4.71 119.30 119.91 1lm6 s MET 109 Ca 0.03 -0.84 -0.04 0.00 -1.71 0.00 0.00 55.69 53.12 1lm6 s MET 109 Cb -0.14 -2.38 -0.04 0.00 2.01 0.00 0.00 34.83 34.28 1lm6 s MET 109 CO 0.01 0.16 0.03 0.71 -0.01 0.00 0.00 175.02 175.92 1lm6 s TYR 110 N 0.40 3.23 -1.53 -0.03 1.51 -0.19 -0.99 117.35 119.74 1lm6 s TYR 110 Ca -0.16 0.14 -0.01 0.00 -1.01 0.00 0.00 57.07 56.02 1lm6 s TYR 110 Cb -0.17 -1.91 0.01 0.00 -0.11 0.00 0.00 41.96 39.78 1lm6 s TYR 110 CO 0.07 0.35 0.14 0.09 -1.11 0.00 0.00 175.55 175.09 1lm6 n ASN 111 N 2.70 0.45 -4.76 2.29 3.02 0.47 -0.85 115.26 118.58 1lm6 n ASN 111 Ca -0.18 -1.21 -0.37 0.00 -0.03 0.00 0.00 54.58 52.79 1lm6 n ASN 111 Cb 0.53 -1.97 0.01 0.00 -0.61 0.00 0.00 39.78 37.75 1lm6 n ASN 111 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1lm6 s PRO 112 N -7.17 3.38 -0.16 3.52 0.04 -1.26 -4.57 135.00 128.78 1lm6 s PRO 112 Ca 0.05 1.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 1lm6 s PRO 112 Cb -0.03 -2.22 0.05 0.00 0.04 0.00 0.00 34.50 32.34 1lm6 s PRO 112 CO 0.97 -0.90 0.41 0.21 0.04 0.00 0.00 177.00 177.74 1lm6 s LYS 113 N -2.95 0.44 -0.18 4.56 2.20 0.39 -4.99 119.74 119.21 1lm6 s LYS 113 Ca 0.70 0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 56.68 1lm6 s LYS 113 Cb -0.32 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.13 1lm6 s LYS 113 CO 0.37 -0.10 1.04 0.42 -0.36 0.00 0.00 175.35 176.72 1lm6 s ILE 114 N 0.74 4.69 -0.49 5.43 1.01 -1.26 -0.94 121.20 130.38 1lm6 s ILE 114 Ca -0.04 2.01 0.14 0.00 0.00 0.00 0.00 60.65 62.75 1lm6 s ILE 114 Cb -0.05 -4.29 -0.17 0.00 0.01 0.00 0.00 42.46 37.95 1lm6 s ILE 114 CO -0.05 -0.11 0.52 1.33 0.00 0.00 0.00 174.94 176.62 1lm6 n VAL 115 N 5.05 0.00 -3.65 2.92 0.24 -0.03 -4.97 118.33 117.89 1lm6 n VAL 115 Ca 0.11 -0.21 -0.15 0.00 -2.04 0.00 0.00 64.34 62.05 1lm6 n VAL 115 Cb 0.47 0.78 -0.08 0.00 -1.47 0.00 0.00 33.84 33.54 1lm6 n VAL 115 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1lm6 s SER 116 N -2.68 -0.57 0.04 -1.34 0.15 -1.17 -4.97 113.70 103.17 1lm6 s SER 116 Ca 0.02 0.94 -0.04 0.00 0.70 0.00 0.00 55.95 57.57 1lm6 s SER 116 Cb 0.10 0.94 -0.02 0.00 -1.71 0.00 0.00 66.02 65.33 1lm6 s SER 116 CO 0.58 -0.32 0.05 -1.38 1.20 0.00 0.00 173.24 173.37 1lm6 s HIS 117 N -0.23 0.28 0.62 3.44 -0.00 -1.26 -0.63 115.29 117.52 1lm6 s HIS 117 Ca -0.04 -0.65 -0.14 0.00 -0.00 0.00 0.00 55.06 54.23 1lm6 s HIS 117 Cb -0.03 -0.20 -0.03 0.00 -0.00 0.00 0.00 32.58 32.32 1lm6 s HIS 117 CO 0.03 -0.35 1.05 -1.54 -0.00 0.00 0.00 174.74 173.93 1lm6 s SER 118 N -2.26 5.76 0.10 7.38 1.04 -0.51 -4.96 113.70 120.26 1lm6 s SER 118 Ca -0.03 1.70 -0.14 0.00 0.48 0.00 0.00 55.95 57.96 1lm6 s SER 118 Cb 0.00 -2.51 -0.12 0.00 0.10 0.00 0.00 66.02 63.49 1lm6 s SER 118 CO -0.06 -1.18 1.36 0.58 0.98 0.00 0.00 173.24 174.92 1lm6 h VAL 119 N 0.05 1.30 -4.01 5.02 2.07 -1.99 -3.43 116.25 115.26 1lm6 h VAL 119 Ca -0.46 -1.72 -0.55 0.00 0.82 0.00 0.00 66.70 64.80 1lm6 h VAL 119 Cb 1.21 1.77 0.13 0.00 -1.52 0.00 0.00 31.29 32.88 1lm6 h VAL 119 CO 0.58 0.55 0.67 1.67 0.02 0.00 0.00 177.57 181.06 1lm6 n GLN 120 N -4.10 2.04 -3.81 1.57 7.27 -1.26 -4.91 117.38 114.17 1lm6 n GLN 120 Ca -0.05 0.73 -0.22 0.00 0.07 0.00 0.00 57.00 57.53 1lm6 n GLN 120 Cb 0.60 -2.62 -0.05 0.00 2.41 0.00 0.00 30.24 30.59 1lm6 n GLN 120 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1lm6 s ASP 121 N -0.65 4.87 0.10 1.69 1.01 -0.14 -1.48 116.67 122.07 1lm6 s ASP 121 Ca 0.66 -0.81 -0.13 0.00 0.71 0.00 0.00 52.55 52.98 1lm6 s ASP 121 Cb -0.43 -0.62 0.02 0.00 1.01 0.00 0.00 42.92 42.90 1lm6 s ASP 121 CO 0.54 -0.54 0.31 0.00 0.21 0.00 0.00 175.17 175.69 1lm6 s ALA 122 N -2.48 -0.64 -0.10 5.23 0.00 0.54 -0.73 121.76 123.57 1lm6 s ALA 122 Ca 0.44 -0.24 -0.17 0.00 0.00 0.00 0.00 51.96 51.99 1lm6 s ALA 122 Cb -0.02 0.56 0.04 0.00 0.00 0.00 0.00 23.12 23.70 1lm6 s ALA 122 CO 0.26 -0.56 0.43 0.00 0.00 0.00 0.00 175.76 175.89 1lm6 s ALA 123 N -3.62 -1.09 0.16 0.00 0.00 0.31 -0.78 121.76 116.73 1lm6 s ALA 123 Ca 0.02 0.96 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 1lm6 s ALA 123 Cb 0.03 -0.37 -0.08 0.00 0.00 0.00 0.00 23.12 22.70 1lm6 s ALA 123 CO -0.10 -0.25 1.23 -0.51 0.00 0.00 0.00 175.76 176.12 1lm6 s LEU 124 N -0.47 4.43 0.19 0.00 1.43 -1.26 -0.20 118.68 122.79 1lm6 s LEU 124 Ca -0.06 2.22 -0.12 0.00 -1.03 0.00 0.00 54.13 55.14 1lm6 s LEU 124 Cb -0.03 -3.60 0.16 0.00 0.03 0.00 0.00 46.19 42.74 1lm6 s LEU 124 CO 0.03 -0.43 1.80 1.23 0.23 0.00 0.00 176.35 179.21 1lm6 h GLY 125 N 5.64 0.80 0.25 -3.19 0.00 -0.31 -1.09 103.07 105.16 1lm6 h GLY 125 Ca -0.44 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1lm6 h GLY 125 CO 0.77 0.15 0.00 -1.84 0.00 0.00 0.00 176.54 175.62 1lm6 n GLU 126 N -4.83 0.92 -0.03 4.80 0.00 -1.26 -4.93 120.64 115.31 1lm6 n GLU 126 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 1lm6 n GLU 126 Cb 0.13 -1.12 -0.00 0.00 0.00 0.00 0.00 31.44 30.45 1lm6 n GLU 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1lm6 n GLY 127 N 0.53 -2.03 3.16 -1.84 0.00 -0.41 -4.94 105.19 99.65 1lm6 n GLY 127 Ca 0.05 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.47 1lm6 n GLY 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lm6 s GLU 128 N -0.19 0.90 0.00 1.61 2.02 -1.26 -4.76 118.70 117.01 1lm6 s GLU 128 Ca 0.00 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.15 1lm6 s GLU 128 Cb 0.00 -0.92 0.00 0.00 0.10 0.00 0.00 34.13 33.31 1lm6 s GLU 128 CO 0.00 0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.91 1lm6 n GLY 129 N 1.64 5.86 0.01 -1.39 0.00 -1.26 -4.72 105.19 105.33 1lm6 n GLY 129 Ca -0.19 -1.88 0.09 0.00 0.00 0.00 0.00 46.02 44.03 1lm6 n GLY 129 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lm6 n LEU 131 N 0.00 0.23 -0.77 0.99 4.32 -1.26 -5.04 117.00 115.48 1lm6 n LEU 131 Ca 0.00 -0.15 0.13 0.00 -0.02 0.00 0.00 56.01 55.97 1lm6 n LEU 131 Cb 0.00 0.00 0.29 0.00 -1.62 0.00 0.00 43.42 42.09 1lm6 n LEU 131 CO 0.00 0.06 0.74 -1.20 -1.22 0.00 0.00 177.39 175.77 1lm6 n SER 132 N -1.90 2.38 -4.05 -1.43 7.64 -1.26 -4.77 113.62 110.22 1lm6 n SER 132 Ca -0.01 -1.79 -0.32 0.00 1.01 0.00 0.00 58.87 57.76 1lm6 n SER 132 Cb 0.40 -0.03 -0.15 0.00 -1.01 0.00 0.00 64.21 63.42 1lm6 n SER 132 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1lm6 s VAL 133 N -1.94 2.02 -0.93 0.44 1.01 -1.26 -1.51 120.40 118.23 1lm6 s VAL 133 Ca 0.33 -1.45 -0.13 0.00 0.00 0.00 0.00 61.98 60.73 1lm6 s VAL 133 Cb 0.20 -2.12 0.23 0.00 0.00 0.00 0.00 36.38 34.70 1lm6 s VAL 133 CO 0.31 0.03 0.91 -1.81 0.00 0.00 0.00 175.10 174.54 1lm6 s ASP 134 N 1.19 6.94 0.00 3.32 1.01 -1.26 -4.86 116.67 123.01 1lm6 s ASP 134 Ca -0.07 -2.95 0.00 0.00 0.71 0.00 0.00 52.55 50.24 1lm6 s ASP 134 Cb -0.19 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.52 1lm6 s ASP 134 CO -0.06 -0.51 0.00 -2.11 0.21 0.00 0.00 175.17 172.70 1lm6 n ARG 135 N 3.73 -3.27 -4.75 8.23 1.85 -1.26 -5.15 116.66 116.04 1lm6 n ARG 135 Ca 0.18 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.76 1lm6 n ARG 135 Cb 0.45 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.71 1lm6 n ARG 135 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1lm6 s ASN 136 N -0.19 2.75 -0.34 2.89 0.01 -1.26 -5.04 114.94 113.76 1lm6 s ASN 136 Ca 0.00 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 51.61 1lm6 s ASN 136 Cb 0.00 -0.24 0.11 0.00 0.41 0.00 0.00 41.25 41.53 1lm6 s ASN 136 CO 0.00 0.20 0.11 -0.69 -1.51 0.00 0.00 177.10 175.21 1lm6 s VAL 137 N -0.80 1.20 0.74 1.60 1.01 -1.26 -5.12 120.40 117.77 1lm6 s VAL 137 Ca 0.09 -1.75 -0.11 0.00 0.00 0.00 0.00 61.98 60.22 1lm6 s VAL 137 Cb -0.09 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.43 1lm6 s VAL 137 CO 0.02 -0.70 1.08 -2.16 0.00 0.00 0.00 175.10 173.34 1lm6 s PRO 138 N 1.29 2.54 0.00 2.72 0.04 -1.26 -4.74 135.00 135.59 1lm6 s PRO 138 Ca 0.11 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1lm6 s PRO 138 Cb -0.19 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1lm6 s PRO 138 CO -0.18 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 175.92 1lm6 n GLY 139 N -1.97 3.39 3.67 0.56 0.00 -1.26 -4.94 105.19 104.65 1lm6 n GLY 139 Ca 0.07 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 1lm6 n GLY 139 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lm6 s TYR 140 N -2.16 3.42 -0.48 1.61 4.12 0.42 -4.29 117.35 119.99 1lm6 s TYR 140 Ca 0.00 1.18 -0.20 0.00 0.02 0.00 0.00 57.07 58.07 1lm6 s TYR 140 Cb 0.00 -2.95 0.04 0.00 -1.52 0.00 0.00 41.96 37.53 1lm6 s TYR 140 CO 0.00 -0.21 0.66 0.08 0.02 0.00 0.00 175.55 176.10 1lm6 s VAL 141 N 2.03 4.80 -0.17 0.71 1.01 -1.26 -4.11 120.40 123.41 1lm6 s VAL 141 Ca 0.36 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 1lm6 s VAL 141 Cb -0.16 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 1lm6 s VAL 141 CO 0.12 -0.75 1.12 -0.69 0.00 0.00 0.00 175.10 174.91 1lm6 s VAL 142 N 2.85 4.52 0.35 2.92 1.01 -0.71 -4.38 120.40 126.96 1lm6 s VAL 142 Ca 0.20 1.83 0.04 0.00 0.00 0.00 0.00 61.98 64.05 1lm6 s VAL 142 Cb -0.16 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 1lm6 s VAL 142 CO 0.16 -0.11 0.18 -0.13 0.00 0.00 0.00 175.10 175.19 1lm6 s ARG 143 N 2.95 1.77 0.35 2.72 0.52 0.04 -4.90 118.95 122.40 1lm6 s ARG 143 Ca 0.49 -2.05 -0.27 0.00 -0.52 0.00 0.00 55.73 53.39 1lm6 s ARG 143 Cb -0.19 -0.20 -0.09 0.00 0.52 0.00 0.00 34.95 34.99 1lm6 s ARG 143 CO 0.13 -0.51 1.11 -1.01 0.02 0.00 0.00 175.30 175.03 1lm6 s HIS 144 N -3.40 3.33 0.06 -0.53 3.76 -1.26 -0.34 115.29 116.91 1lm6 s HIS 144 Ca 0.32 1.64 -0.21 0.00 -0.15 0.00 0.00 55.06 56.66 1lm6 s HIS 144 Cb 0.03 -3.27 -0.12 0.00 1.11 0.00 0.00 32.58 30.33 1lm6 s HIS 144 CO 0.19 -0.81 1.51 0.00 -0.85 0.00 0.00 174.74 174.78 1lm6 h ALA 145 N 3.08 0.21 -3.78 -1.40 0.00 -1.45 -3.39 119.26 112.53 1lm6 h ALA 145 Ca -0.48 -0.18 -0.47 0.00 0.00 0.00 0.00 54.91 53.78 1lm6 h ALA 145 Cb 1.22 -0.06 -0.24 0.00 0.00 0.00 0.00 17.79 18.71 1lm6 h ALA 145 CO 0.64 -0.11 -0.80 1.03 0.00 0.00 0.00 179.25 180.01 1lm6 s ARG 146 N -5.08 1.02 0.01 0.00 0.52 -1.26 -3.89 118.95 110.27 1lm6 s ARG 146 Ca -0.14 -0.83 -0.05 0.00 -0.52 0.00 0.00 55.73 54.18 1lm6 s ARG 146 Cb 0.06 -1.07 -0.01 0.00 0.52 0.00 0.00 34.95 34.46 1lm6 s ARG 146 CO 0.71 0.26 0.09 0.14 0.02 0.00 0.00 175.30 176.53 1lm6 s VAL 147 N -0.90 0.10 -0.19 3.52 -7.23 -0.89 -1.42 120.40 113.39 1lm6 s VAL 147 Ca 0.03 -0.82 -0.04 0.00 -1.81 0.00 0.00 61.98 59.33 1lm6 s VAL 147 Cb -0.08 -0.48 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 1lm6 s VAL 147 CO 0.02 -0.45 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.44 1lm6 s THR 148 N -1.64 3.78 -0.09 5.32 2.01 0.20 -0.92 115.64 124.31 1lm6 s THR 148 Ca -0.13 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.53 1lm6 s THR 148 Cb -0.07 -2.69 -0.00 0.00 0.01 0.00 0.00 72.50 69.75 1lm6 s THR 148 CO -0.00 0.45 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.45 1lm6 s VAL 149 N 0.88 2.02 -0.14 3.82 1.01 0.50 -0.85 120.40 127.64 1lm6 s VAL 149 Ca 0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 1lm6 s VAL 149 Cb -0.14 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1lm6 s VAL 149 CO 0.02 0.55 0.09 -1.81 0.00 0.00 0.00 175.10 173.95 1lm6 s ASP 150 N 0.24 5.90 0.20 3.32 1.11 -0.12 -0.47 116.67 126.86 1lm6 s ASP 150 Ca -0.15 0.27 -0.16 0.00 0.18 0.00 0.00 52.55 52.69 1lm6 s ASP 150 Cb -0.17 -1.90 0.02 0.00 1.07 0.00 0.00 42.92 41.94 1lm6 s ASP 150 CO 0.08 0.32 0.50 -0.72 1.18 0.00 0.00 175.17 176.52 1lm6 s TYR 151 N -0.49 0.01 -0.00 4.23 -0.85 -0.41 -0.46 117.35 119.37 1lm6 s TYR 151 Ca 0.11 -0.37 0.02 0.00 -0.52 0.00 0.00 57.07 56.32 1lm6 s TYR 151 Cb -0.12 0.33 -0.03 0.00 0.38 0.00 0.00 41.96 42.52 1lm6 s TYR 151 CO 0.02 -0.93 -0.03 -0.06 -1.52 0.00 0.00 175.55 173.03 1lm6 s PHE 152 N -3.91 2.98 0.28 -3.49 0.40 -0.03 -0.42 117.98 113.79 1lm6 s PHE 152 Ca 0.12 0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.48 1lm6 s PHE 152 Cb -0.01 -1.64 0.05 0.00 0.51 0.00 0.00 43.02 41.94 1lm6 s PHE 152 CO -0.00 0.42 0.39 -0.40 0.70 0.00 0.00 175.22 176.32 1lm6 n ASP 153 N 1.49 0.65 0.20 1.36 5.68 -0.51 -1.03 116.55 124.39 1lm6 n ASP 153 Ca -0.15 -1.52 0.18 0.00 -0.50 0.00 0.00 54.79 52.80 1lm6 n ASP 153 Cb 0.53 -0.24 0.83 0.00 -1.14 0.00 0.00 41.12 41.10 1lm6 n ASP 153 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1lm6 h LYS 154 N 0.00 0.00 -0.61 0.11 2.10 -1.90 -0.42 116.57 115.85 1lm6 h LYS 154 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1lm6 h LYS 154 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1lm6 h LYS 154 CO 0.15 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.35 1lm6 n ASP 155 N -3.68 3.42 -0.06 7.07 8.00 -1.26 -4.72 116.55 125.33 1lm6 n ASP 155 Ca 0.02 -2.10 -0.01 0.00 0.71 0.00 0.00 54.79 53.42 1lm6 n ASP 155 Cb 0.37 -0.43 -0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1lm6 n ASP 155 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lm6 n GLY 156 N 1.33 0.45 3.78 0.44 0.00 -0.17 -5.01 105.19 106.01 1lm6 n GLY 156 Ca 0.20 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1lm6 n GLY 156 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lm6 s GLU 157 N -0.74 4.58 0.06 1.61 2.02 -1.26 -4.79 118.70 120.17 1lm6 s GLU 157 Ca 0.00 1.23 -0.18 0.00 0.02 0.00 0.00 54.97 56.04 1lm6 s GLU 157 Cb 0.00 -3.05 -0.06 0.00 0.10 0.00 0.00 34.13 31.11 1lm6 s GLU 157 CO 0.00 0.44 0.54 0.21 0.02 0.00 0.00 175.26 176.47 1lm6 s LYS 158 N -1.58 4.15 0.05 1.61 2.20 -1.26 -1.43 119.74 123.47 1lm6 s LYS 158 Ca 0.43 0.67 0.06 0.00 -0.36 0.00 0.00 55.97 56.77 1lm6 s LYS 158 Cb -0.21 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 1lm6 s LYS 158 CO 0.26 0.64 -0.17 -1.01 -0.36 0.00 0.00 175.35 174.70 1lm6 s HIS 159 N -1.07 1.52 -0.18 4.03 3.76 0.44 -4.98 115.29 118.80 1lm6 s HIS 159 Ca 0.28 -0.37 -0.02 0.00 -0.15 0.00 0.00 55.06 54.80 1lm6 s HIS 159 Cb -0.19 -0.89 0.05 0.00 1.11 0.00 0.00 32.58 32.66 1lm6 s HIS 159 CO 0.18 0.08 0.00 0.50 -0.85 0.00 0.00 174.74 174.65 1lm6 s ARG 160 N -1.27 0.95 0.21 1.40 3.52 -1.26 -1.29 118.95 121.20 1lm6 s ARG 160 Ca 0.04 -0.48 0.11 0.00 -0.13 0.00 0.00 55.73 55.28 1lm6 s ARG 160 Cb -0.09 -2.05 -0.05 0.00 -1.56 0.00 0.00 34.95 31.21 1lm6 s ARG 160 CO 0.02 -0.56 -0.23 0.96 -0.81 0.00 0.00 175.30 174.68 1lm6 s ILE 161 N 1.75 2.34 -0.10 4.11 -4.36 0.38 -4.95 121.20 120.38 1lm6 s ILE 161 Ca -0.01 -2.10 0.02 0.00 -0.26 0.00 0.00 60.65 58.30 1lm6 s ILE 161 Cb -0.17 -2.14 -0.02 0.00 1.25 0.00 0.00 42.46 41.39 1lm6 s ILE 161 CO -0.07 -0.19 -0.15 -0.54 0.24 0.00 0.00 174.94 174.23 1lm6 s LYS 162 N -2.84 3.02 0.13 0.37 1.02 -1.26 -0.37 119.74 119.81 1lm6 s LYS 162 Ca 0.22 -0.72 0.08 0.00 0.02 0.00 0.00 55.97 55.57 1lm6 s LYS 162 Cb -0.07 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 1lm6 s LYS 162 CO 0.11 0.35 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.18 1lm6 s LEU 163 N -0.02 2.36 0.33 3.17 1.43 -0.09 -5.00 118.68 120.86 1lm6 s LEU 163 Ca -0.04 -0.77 -0.05 0.00 -1.03 0.00 0.00 54.13 52.24 1lm6 s LEU 163 Cb -0.14 -0.85 0.01 0.00 0.03 0.00 0.00 46.19 45.24 1lm6 s LEU 163 CO 0.04 0.01 0.51 -1.59 0.23 0.00 0.00 176.35 175.55 1lm6 s LYS 164 N -2.32 1.89 4.06 1.70 -2.85 -1.26 -2.10 119.74 118.86 1lm6 s LYS 164 Ca 0.10 -1.65 0.00 0.00 -1.00 0.00 0.00 55.97 53.43 1lm6 s LYS 164 Cb -0.08 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 1lm6 s LYS 164 CO 0.05 -0.79 0.00 0.41 0.10 0.00 0.00 175.35 175.12 1lm6 n GLY 165 N -0.53 1.97 0.35 0.59 0.00 -1.25 -2.37 105.19 103.95 1lm6 n GLY 165 Ca -0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 45.52 1lm6 n GLY 165 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1lm6 h TYR 166 N 0.00 1.22 -0.90 1.61 3.20 -1.99 -2.63 116.97 117.48 1lm6 h TYR 166 Ca 0.00 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.86 1lm6 h TYR 166 Cb 0.00 -0.38 -0.06 0.00 1.54 0.00 0.00 36.73 37.83 1lm6 h TYR 166 CO 0.00 0.88 0.58 -0.91 -1.64 0.00 0.00 178.16 177.07 1lm6 h ASN 167 N 1.20 0.94 -0.58 -2.11 2.35 -1.95 -0.81 115.58 114.63 1lm6 h ASN 167 Ca 0.29 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1lm6 h ASN 167 Cb 0.12 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1lm6 h ASN 167 CO -0.04 0.62 0.38 -1.28 -1.65 0.00 0.00 177.43 175.46 1lm6 h SER 168 N 1.09 0.64 -0.25 5.81 0.87 -1.12 -1.70 113.55 118.89 1lm6 h SER 168 Ca 0.37 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1lm6 h SER 168 Cb 0.08 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1lm6 h SER 168 CO -0.14 0.46 0.13 0.40 -0.53 0.00 0.00 176.83 177.15 1lm6 h ILE 169 N 0.76 1.12 -0.44 2.23 1.08 -0.94 -1.62 117.51 119.71 1lm6 h ILE 169 Ca 0.22 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1lm6 h ILE 169 Cb -0.07 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 1lm6 h ILE 169 CO -0.06 0.12 0.28 0.58 -0.69 0.00 0.00 178.15 178.38 1lm6 h VAL 170 N 0.29 1.13 -0.51 1.67 2.07 -0.96 0.39 116.25 120.33 1lm6 h VAL 170 Ca 0.09 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 1lm6 h VAL 170 Cb 0.07 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1lm6 h VAL 170 CO -0.01 0.12 -0.14 0.58 0.02 0.00 0.00 177.57 178.14 1lm6 h VAL 171 N 0.59 1.27 -0.20 2.57 2.07 -1.23 -1.65 116.25 119.67 1lm6 h VAL 171 Ca 0.16 -1.28 -0.08 0.00 0.82 0.00 0.00 66.70 66.32 1lm6 h VAL 171 Cb -0.04 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1lm6 h VAL 171 CO -0.03 0.45 -0.22 1.56 0.02 0.00 0.00 177.57 179.35 1lm6 h GLN 172 N 0.86 0.36 -0.18 1.57 4.20 -0.85 0.04 115.11 121.11 1lm6 h GLN 172 Ca 0.13 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1lm6 h GLN 172 Cb 0.69 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1lm6 h GLN 172 CO 0.05 0.56 0.07 1.25 -0.67 0.00 0.00 178.83 180.10 1lm6 h HIS 173 N 0.32 0.27 -0.49 2.96 2.76 -0.49 -0.61 115.15 119.87 1lm6 h HIS 173 Ca 0.05 -0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.08 1lm6 h HIS 173 Cb 0.57 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 1lm6 h HIS 173 CO 0.01 0.33 -0.18 0.93 -1.30 0.00 0.00 177.93 177.72 1lm6 h GLU 174 N 0.14 0.98 -0.26 5.26 4.39 -0.71 -2.58 114.58 121.81 1lm6 h GLU 174 Ca 0.06 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.35 1lm6 h GLU 174 Cb 0.17 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1lm6 h GLU 174 CO -0.01 1.06 0.08 0.82 -1.16 0.00 0.00 179.01 179.81 1lm6 h ILE 175 N 0.85 1.12 -1.01 3.13 2.04 -0.85 -1.31 117.51 121.48 1lm6 h ILE 175 Ca 0.12 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.64 1lm6 h ILE 175 Cb 0.74 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 1lm6 h ILE 175 CO 0.06 0.14 0.66 0.44 0.00 0.00 0.00 178.15 179.45 1lm6 h ASP 176 N 0.37 1.08 -0.77 1.72 3.32 -0.70 -1.58 116.42 119.86 1lm6 h ASP 176 Ca 0.09 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.16 1lm6 h ASP 176 Cb 0.11 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 1lm6 h ASP 176 CO -0.01 0.72 0.51 0.45 -1.72 0.00 0.00 179.24 179.19 1lm6 h HIS 177 N 1.24 0.94 0.00 4.55 3.86 -1.11 0.57 115.15 125.19 1lm6 h HIS 177 Ca 0.41 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 1lm6 h HIS 177 Cb 0.07 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.22 1lm6 h HIS 177 CO -0.00 0.57 0.00 0.44 0.86 0.00 0.00 177.93 179.80 1lm6 n ILE 178 N -4.43 0.03 0.07 2.45 -5.35 -0.61 -1.79 119.36 109.73 1lm6 n ILE 178 Ca 0.09 0.01 0.06 0.00 -0.27 0.00 0.00 62.75 62.63 1lm6 n ILE 178 Cb 0.07 -0.53 0.11 0.00 -1.74 0.00 0.00 39.64 37.54 1lm6 n ILE 178 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1lm6 n ASN 179 N -1.14 2.54 -1.12 7.28 3.02 0.01 -0.91 115.26 124.95 1lm6 n ASN 179 Ca 0.18 -1.79 -0.07 0.00 -0.03 0.00 0.00 54.58 52.87 1lm6 n ASN 179 Cb 0.16 -0.14 0.01 0.00 -0.61 0.00 0.00 39.78 39.20 1lm6 n ASN 179 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lm6 n GLY 180 N 0.56 0.27 3.40 7.41 0.00 -0.57 -4.55 105.19 111.70 1lm6 n GLY 180 Ca 0.10 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 1lm6 n GLY 180 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lm6 s ILE 181 N -2.70 2.77 0.11 -0.61 1.01 -0.16 -4.52 121.20 117.09 1lm6 s ILE 181 Ca 0.09 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.97 1lm6 s ILE 181 Cb -0.04 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1lm6 s ILE 181 CO 0.11 0.57 0.05 -0.04 0.00 0.00 0.00 174.94 175.63 1lm6 s MET 182 N -0.39 2.69 0.31 2.79 -1.94 -1.26 -3.59 119.30 117.90 1lm6 s MET 182 Ca 0.04 -0.84 0.03 0.00 -1.71 0.00 0.00 55.69 53.21 1lm6 s MET 182 Cb -0.12 -2.59 0.63 0.00 2.01 0.00 0.00 34.83 34.76 1lm6 s MET 182 CO 0.02 0.52 1.85 0.27 -0.01 0.00 0.00 175.02 177.68 1lm6 h PHE 183 N 3.09 1.04 0.00 -0.03 -5.15 -1.96 -0.01 116.94 113.93 1lm6 h PHE 183 Ca -0.47 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 1lm6 h PHE 183 Cb 1.18 -0.33 0.00 0.00 0.22 0.00 0.00 35.95 37.01 1lm6 h PHE 183 CO 0.60 0.42 0.00 0.10 -2.00 0.00 0.00 178.31 177.43 1lm6 h TYR 184 N 0.91 0.00 0.00 6.09 -0.00 -1.94 -1.83 116.97 120.20 1lm6 h TYR 184 Ca 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 59.20 1lm6 h TYR 184 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.25 1lm6 h TYR 184 CO -0.00 0.00 -0.00 -0.44 -0.00 0.00 0.00 178.16 177.71 1lm6 h ASP 185 N 0.00 0.00 -0.52 0.10 3.32 -1.40 -2.49 116.42 115.43 1lm6 h ASP 185 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1lm6 h ASP 185 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1lm6 h ASP 185 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 1lm6 n ARG 186 N -3.12 2.77 -3.47 3.56 1.74 -0.69 -4.95 116.66 112.50 1lm6 n ARG 186 Ca -0.02 -2.32 -0.38 0.00 -0.77 0.00 0.00 57.85 54.36 1lm6 n ARG 186 Cb 0.12 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 1lm6 n ARG 186 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1lm6 s ILE 187 N -1.01 4.99 -0.36 0.55 1.01 -0.94 -1.74 121.20 123.70 1lm6 s ILE 187 Ca 0.35 0.86 -0.29 0.00 0.00 0.00 0.00 60.65 61.57 1lm6 s ILE 187 Cb 0.18 -3.73 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 1lm6 s ILE 187 CO 0.24 0.54 1.59 0.21 0.00 0.00 0.00 174.94 177.52 1lm6 s ASN 188 N -1.16 6.16 0.17 3.58 2.47 -1.26 -4.90 114.94 120.01 1lm6 s ASN 188 Ca 0.26 1.10 -0.22 0.00 0.42 0.00 0.00 52.86 54.42 1lm6 s ASN 188 Cb -0.17 -2.53 0.09 0.00 -1.45 0.00 0.00 41.25 37.19 1lm6 s ASN 188 CO 0.15 -1.53 1.60 -0.33 -3.72 0.00 0.00 177.10 173.27 1lm6 h GLU 189 N 11.57 -0.20 0.00 0.43 5.08 -1.95 -1.50 114.58 128.01 1lm6 h GLU 189 Ca -0.31 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1lm6 h GLU 189 Cb 1.14 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1lm6 h GLU 189 CO 1.05 -0.14 0.00 1.63 -1.00 0.00 0.00 179.01 180.56 1lm6 n LYS 190 N -5.42 0.00 -3.97 2.33 5.02 -1.26 -4.43 118.16 110.43 1lm6 n LYS 190 Ca 0.02 0.49 -0.31 0.00 -2.02 0.00 0.00 58.31 56.49 1lm6 n LYS 190 Cb 0.34 -1.37 -0.15 0.00 -0.02 0.00 0.00 35.03 33.84 1lm6 n LYS 190 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1lm6 s ASP 191 N -2.24 4.56 0.63 4.39 2.15 -1.19 -4.99 116.67 119.99 1lm6 s ASP 191 Ca 0.00 -2.33 0.35 0.00 0.43 0.00 0.00 52.55 51.00 1lm6 s ASP 191 Cb 0.00 -1.55 1.93 0.00 -0.30 0.00 0.00 42.92 43.00 1lm6 s ASP 191 CO 0.00 -0.34 2.08 1.55 -0.17 0.00 0.00 175.17 178.29 1lm6 h PRO 192 N 7.36 0.00 -0.16 4.34 0.13 -1.48 -1.95 132.00 140.24 1lm6 h PRO 192 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1lm6 h PRO 192 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1lm6 h PRO 192 CO 0.55 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.51 1lm6 n PHE 193 N -2.90 0.49 -1.89 1.56 3.01 -1.26 -0.43 117.46 116.04 1lm6 n PHE 193 Ca -0.02 -0.84 -0.41 0.00 1.01 0.00 0.00 57.45 57.18 1lm6 n PHE 193 Cb 0.22 -0.20 -0.01 0.00 -0.01 0.00 0.00 39.48 39.48 1lm6 n PHE 193 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1lm6 s ALA 194 N -2.48 3.60 -0.71 4.37 0.00 -0.73 -4.96 121.76 120.85 1lm6 s ALA 194 Ca 0.33 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 53.74 1lm6 s ALA 194 Cb 0.27 -3.59 0.18 0.00 0.00 0.00 0.00 23.12 19.98 1lm6 s ALA 194 CO 0.07 -0.92 0.55 0.08 0.00 0.00 0.00 175.76 175.54 1lm6 s VAL 195 N -0.76 3.99 0.85 0.00 1.01 -1.26 -4.96 120.40 119.27 1lm6 s VAL 195 Ca 0.55 -3.18 -0.11 0.00 0.00 0.00 0.00 61.98 59.23 1lm6 s VAL 195 Cb -0.45 -3.56 0.11 0.00 0.00 0.00 0.00 36.38 32.48 1lm6 s VAL 195 CO 0.56 -0.94 1.16 -1.59 0.00 0.00 0.00 175.10 174.28 1lm6 s LYS 196 N -0.40 1.45 0.33 2.72 0.00 -1.26 -4.90 119.74 117.69 1lm6 s LYS 196 Ca 0.20 1.57 -0.29 0.00 0.00 0.00 0.00 55.97 57.45 1lm6 s LYS 196 Cb -0.16 -1.77 -0.11 0.00 0.00 0.00 0.00 37.83 35.79 1lm6 s LYS 196 CO -0.06 -2.31 1.44 0.34 0.00 0.00 0.00 175.35 174.76 1lm6 s ASP 197 N -2.58 6.52 0.00 0.03 2.15 -1.26 -1.83 116.67 119.70 1lm6 s ASP 197 Ca 0.68 2.88 0.00 0.00 0.43 0.00 0.00 52.55 56.54 1lm6 s ASP 197 Cb -0.24 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.73 1lm6 s ASP 197 CO 0.54 -0.75 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 1lm6 n GLY 198 N 1.02 0.59 3.50 2.66 0.00 -1.26 -4.96 105.19 106.75 1lm6 n GLY 198 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1lm6 n GLY 198 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lm6 s LEU 199 N 0.00 3.64 -0.24 0.99 2.96 -0.76 -0.97 118.68 124.30 1lm6 s LEU 199 Ca 0.00 -0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 53.65 1lm6 s LEU 199 Cb 0.00 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1lm6 s LEU 199 CO 0.00 -0.02 0.32 -0.22 -1.32 0.00 0.00 176.35 175.10 1lm6 s LEU 200 N 1.55 4.10 -0.25 -0.68 2.96 0.09 -4.86 118.68 121.59 1lm6 s LEU 200 Ca 0.06 0.31 -0.14 0.00 -0.22 0.00 0.00 54.13 54.14 1lm6 s LEU 200 Cb -0.15 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 1lm6 s LEU 200 CO 0.06 -0.07 0.34 -0.63 -1.32 0.00 0.00 176.35 174.72 1lm6 s ILE 201 N 1.50 5.21 -2.44 6.68 -1.09 -1.26 -0.53 121.20 129.27 1lm6 s ILE 201 Ca 0.14 0.52 0.28 0.00 -2.23 0.00 0.00 60.65 59.36 1lm6 s ILE 201 Cb -0.15 -3.67 0.59 0.00 -1.58 0.00 0.00 42.46 37.65 1lm6 s ILE 201 CO 0.08 0.20 1.80 0.18 -1.23 0.00 0.00 174.94 175.97