#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 171l s ASN 2 N 0.00 0.71 0.07 6.12 2.20 -1.26 -5.03 114.94 117.75 171l s ASN 2 Ca 0.00 -1.39 -0.26 0.00 -0.94 0.00 0.00 52.86 50.27 171l s ASN 2 Cb 0.00 0.67 -0.17 0.00 -2.00 0.00 0.00 41.25 39.75 171l s ASN 2 CO 0.00 -1.31 1.62 -0.29 -2.94 0.00 0.00 177.10 174.19 171l h ILE 3 N 2.13 0.86 -0.77 0.54 6.09 -1.98 0.23 117.51 124.61 171l h ILE 3 Ca -0.29 -0.17 0.16 0.00 -1.37 0.00 0.00 64.86 63.19 171l h ILE 3 Cb 1.24 0.96 -0.10 0.00 0.47 0.00 0.00 36.82 39.39 171l h ILE 3 CO 0.39 0.04 0.28 -0.26 -3.07 0.00 0.00 178.15 175.53 171l h PHE 4 N -0.32 0.47 0.05 2.19 0.04 -1.99 -0.52 116.94 116.87 171l h PHE 4 Ca -0.02 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 171l h PHE 4 Cb 0.25 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.31 171l h PHE 4 CO -0.04 0.02 -0.02 0.93 -0.60 0.00 0.00 178.31 178.59 171l h GLU 5 N 0.40 -0.07 -0.35 1.51 5.08 -1.90 -1.40 114.58 117.85 171l h GLU 5 Ca 0.43 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.86 171l h GLU 5 Cb 0.70 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.88 171l h GLU 5 CO -0.44 0.09 -0.42 1.98 -1.00 0.00 0.00 179.01 179.21 171l h MET 6 N -0.21 -0.34 0.00 2.33 4.05 0.46 0.30 114.93 121.52 171l h MET 6 Ca -0.01 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 171l h MET 6 Cb 0.18 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.06 171l h MET 6 CO 0.01 -0.23 -0.10 -0.07 0.23 0.00 0.00 176.91 176.75 171l h LEU 7 N -0.35 0.00 -0.23 3.39 3.38 -1.14 -0.50 115.31 119.86 171l h LEU 7 Ca 0.13 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 171l h LEU 7 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 171l h LEU 7 CO -0.54 0.10 -0.17 -0.09 0.09 0.00 0.00 178.44 177.83 171l h ARG 8 N 0.00 0.52 -0.54 1.13 9.65 0.67 0.20 114.38 126.01 171l h ARG 8 Ca -0.00 -0.26 0.07 0.00 -1.10 0.00 0.00 59.98 58.69 171l h ARG 8 Cb 0.36 -0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.89 171l h ARG 8 CO 0.01 0.83 0.23 0.82 2.80 0.00 0.00 179.97 184.66 171l h ILE 9 N 0.22 0.87 0.00 1.20 2.04 -0.20 4.60 117.51 126.24 171l h ILE 9 Ca 0.04 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.75 171l h ILE 9 Cb 0.71 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 171l h ILE 9 CO 0.05 0.08 0.00 0.47 0.00 0.00 0.00 178.15 178.75 171l n ASP 10 N -4.94 0.44 0.00 1.72 8.00 -0.28 -4.03 116.55 117.46 171l n ASP 10 Ca 0.06 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.13 171l n ASP 10 Cb 0.20 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 171l n ASP 10 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 171l n GLU 11 N -1.94 3.68 0.00 -1.24 -0.58 0.67 -5.04 120.64 116.20 171l n GLU 11 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 171l n GLU 11 Cb 0.32 -0.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.65 171l n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 171l n GLY 12 N 0.66 -0.20 3.43 0.62 0.00 1.48 -4.18 105.19 107.00 171l n GLY 12 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 171l n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 171l s LEU 13 N 0.00 2.51 -0.18 0.99 2.96 -1.26 -3.76 118.68 119.94 171l s LEU 13 Ca 0.00 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.39 171l s LEU 13 Cb 0.00 -1.47 0.08 0.00 0.50 0.00 0.00 46.19 45.30 171l s LEU 13 CO 0.00 0.27 0.40 -0.13 -1.32 0.00 0.00 176.35 175.56 171l s ARG 14 N -1.31 0.33 -0.03 1.98 0.52 -1.21 -4.99 118.95 114.24 171l s ARG 14 Ca 0.14 0.90 0.16 0.00 -0.52 0.00 0.00 55.73 56.41 171l s ARG 14 Cb -0.10 0.15 0.52 0.00 0.52 0.00 0.00 34.95 36.04 171l s ARG 14 CO 0.04 -0.22 1.42 1.28 0.02 0.00 0.00 175.30 177.85 171l n LEU 15 N 4.93 3.32 -3.90 2.53 4.77 -1.26 -0.96 117.00 126.43 171l n LEU 15 Ca -0.14 -1.67 -0.16 0.00 -0.03 0.00 0.00 56.01 54.01 171l n LEU 15 Cb 0.52 -0.43 -0.15 0.00 -2.33 0.00 0.00 43.42 41.03 171l n LEU 15 CO 0.04 0.72 -0.39 -0.75 -1.33 0.00 0.00 177.39 175.68 171l s LYS 16 N -1.44 0.38 -0.18 3.23 2.47 -1.26 -0.81 119.74 122.14 171l s LYS 16 Ca 0.39 -0.09 -0.37 0.00 -1.56 0.00 0.00 55.97 54.34 171l s LYS 16 Cb 0.22 -0.42 -0.14 0.00 -1.46 0.00 0.00 37.83 36.03 171l s LYS 16 CO 0.23 0.01 1.80 -0.89 0.16 0.00 0.00 175.35 176.67 171l n ILE 17 N 3.39 0.43 -4.28 5.43 5.41 -1.04 -4.76 119.36 123.95 171l n ILE 17 Ca -0.18 -0.08 -0.15 0.00 1.00 0.00 0.00 62.75 63.34 171l n ILE 17 Cb 0.56 -1.54 -0.10 0.00 -0.71 0.00 0.00 39.64 37.85 171l n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 171l s TYR 18 N 3.73 1.35 0.50 1.39 1.13 -0.66 -4.97 117.35 119.81 171l s TYR 18 Ca 0.95 -0.92 0.00 0.00 -1.41 0.00 0.00 57.07 55.70 171l s TYR 18 Cb -0.88 -0.76 0.01 0.00 -1.10 0.00 0.00 41.96 39.23 171l s TYR 18 CO 0.58 -0.08 0.72 0.15 -2.51 0.00 0.00 175.55 174.42 171l s LYS 19 N -3.86 2.85 0.45 -3.49 1.02 -1.26 0.18 119.74 115.63 171l s LYS 19 Ca 0.24 -0.58 0.05 0.00 0.02 0.00 0.00 55.97 55.70 171l s LYS 19 Cb 0.05 -2.52 0.05 0.00 -0.52 0.00 0.00 37.83 34.89 171l s LYS 19 CO 0.05 -0.47 0.40 -0.40 -0.92 0.00 0.00 175.35 174.01 171l n ASP 20 N -2.21 2.25 -0.09 2.83 5.68 -0.60 -4.79 116.55 119.62 171l n ASP 20 Ca 0.04 -2.46 -0.14 0.00 -0.50 0.00 0.00 54.79 51.74 171l n ASP 20 Cb 0.58 -0.11 -0.09 0.00 -1.14 0.00 0.00 41.12 40.37 171l n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 171l h THR 21 N 0.50 0.02 -0.46 2.12 1.35 -1.94 0.74 112.91 115.24 171l h THR 21 Ca -0.27 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.68 171l h THR 21 Cb 1.02 0.02 -0.10 0.00 -1.73 0.00 0.00 68.15 67.36 171l h THR 21 CO 0.41 0.00 -0.33 -0.33 -0.25 0.00 0.00 175.52 175.02 171l h GLU 22 N -0.45 -0.21 0.00 4.72 4.39 -1.94 -3.45 114.58 117.63 171l h GLU 22 Ca 0.07 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.78 171l h GLU 22 Cb 0.63 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 171l h GLU 22 CO -0.54 -0.14 0.00 0.41 -1.16 0.00 0.00 179.01 177.58 171l n GLY 23 N -1.42 -0.97 3.74 -3.84 0.00 0.25 -5.13 105.19 97.82 171l n GLY 23 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 171l n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 171l s TYR 24 N 0.00 3.61 -0.17 1.61 2.02 -1.26 -4.38 117.35 118.79 171l s TYR 24 Ca 0.00 1.13 -0.29 0.00 -0.37 0.00 0.00 57.07 57.54 171l s TYR 24 Cb 0.00 -2.64 -0.05 0.00 -0.40 0.00 0.00 41.96 38.87 171l s TYR 24 CO 0.00 0.24 2.06 0.71 -1.57 0.00 0.00 175.55 176.99 171l s TYR 25 N 0.28 1.34 0.44 2.71 2.02 -1.20 -1.56 117.35 121.38 171l s TYR 25 Ca 0.31 0.30 0.05 0.00 -0.37 0.00 0.00 57.07 57.37 171l s TYR 25 Cb -0.17 -4.03 -0.06 0.00 -0.40 0.00 0.00 41.96 37.30 171l s TYR 25 CO 0.15 -4.24 0.01 0.99 -1.57 0.00 0.00 175.55 170.90 171l s THR 26 N 6.96 1.75 0.24 -0.71 2.01 0.13 0.12 115.64 126.14 171l s THR 26 Ca 0.93 -1.99 -0.22 0.00 0.31 0.00 0.00 61.69 60.72 171l s THR 26 Cb -0.34 -2.74 0.05 0.00 0.01 0.00 0.00 72.50 69.48 171l s THR 26 CO 0.36 0.00 0.87 -0.51 -0.69 0.00 0.00 174.62 174.65 171l s ILE 27 N -2.76 0.00 0.00 1.82 2.07 -1.12 -1.65 121.20 119.56 171l s ILE 27 Ca 0.26 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.69 171l s ILE 27 Cb 0.07 -2.32 0.00 0.00 0.13 0.00 0.00 42.46 40.34 171l s ILE 27 CO 0.14 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.78 171l n GLY 28 N -0.52 0.85 3.06 1.50 0.00 -0.13 -1.50 105.19 108.45 171l n GLY 28 Ca -0.05 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 171l n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 171l n ILE 29 N 0.00 3.95 -2.33 -0.61 5.41 -1.25 -3.29 119.36 121.23 171l n ILE 29 Ca 0.00 -3.92 -0.04 0.00 1.00 0.00 0.00 62.75 59.78 171l n ILE 29 Cb 0.00 -2.46 0.01 0.00 -0.71 0.00 0.00 39.64 36.48 171l n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 171l n GLY 30 N 3.98 0.40 3.33 7.39 0.00 -1.22 -4.90 105.19 114.17 171l n GLY 30 Ca 0.45 -0.63 -0.46 0.00 0.00 0.00 0.00 46.02 45.38 171l n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 171l s HIS 31 N -2.55 3.33 0.09 1.61 5.04 -0.56 -4.94 115.29 117.31 171l s HIS 31 Ca 0.05 -1.41 -0.34 0.00 -1.54 0.00 0.00 55.06 51.81 171l s HIS 31 Cb -0.02 -3.86 -0.14 0.00 0.04 0.00 0.00 32.58 28.60 171l s HIS 31 CO 0.06 -1.08 1.63 -0.11 -2.34 0.00 0.00 174.74 172.90 171l n LEU 32 N 5.17 3.05 -0.01 8.88 7.94 -1.26 -2.80 117.00 137.98 171l n LEU 32 Ca -0.05 1.06 -0.17 0.00 -1.11 0.00 0.00 56.01 55.74 171l n LEU 32 Cb 0.43 -1.39 -0.14 0.00 0.53 0.00 0.00 43.42 42.85 171l n LEU 32 CO 0.49 -0.30 -0.73 0.18 -1.11 0.00 0.00 177.39 175.93 171l n LEU 33 N 4.15 2.05 0.00 -1.96 4.77 0.32 -4.94 117.00 121.39 171l n LEU 33 Ca 0.19 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 171l n LEU 33 Cb 0.28 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 171l n LEU 33 CO 0.66 0.70 0.00 1.07 -1.33 0.00 0.00 177.39 178.49 171l n THR 34 N -3.33 0.00 1.56 -5.08 5.66 -1.09 -4.79 114.28 107.19 171l n THR 34 Ca -0.27 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 60.88 171l n THR 34 Cb 1.05 0.00 0.78 0.00 -1.55 0.00 0.00 70.33 70.60 171l n THR 34 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 171l n LYS 35 N -0.37 0.62 -2.64 1.09 5.02 -1.26 -3.23 118.16 117.38 171l n LYS 35 Ca 0.00 -0.05 -0.39 0.00 -2.02 0.00 0.00 58.31 55.85 171l n LYS 35 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.46 171l n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 171l s SER 36 N -2.42 7.36 0.59 4.39 0.15 -1.26 -4.89 113.70 117.62 171l s SER 36 Ca 0.33 2.04 0.30 0.00 0.70 0.00 0.00 55.95 59.32 171l s SER 36 Cb 0.21 -2.61 1.82 0.00 -1.71 0.00 0.00 66.02 63.73 171l s SER 36 CO 0.44 -0.06 2.24 1.55 1.20 0.00 0.00 173.24 178.61 171l h PRO 37 N 3.65 0.00 -6.28 5.44 0.13 -1.94 -3.43 132.00 129.57 171l h PRO 37 Ca -0.46 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.12 171l h PRO 37 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 171l h PRO 37 CO 0.66 0.00 1.20 0.45 -0.23 0.00 0.00 178.00 180.08 171l s SER 38 N -6.08 6.42 0.07 1.44 0.15 -1.26 -4.84 113.70 109.60 171l s SER 38 Ca -0.05 2.34 -0.16 0.00 0.70 0.00 0.00 55.95 58.78 171l s SER 38 Cb 0.15 -2.53 -0.13 0.00 -1.71 0.00 0.00 66.02 61.80 171l s SER 38 CO 0.54 -1.12 1.33 0.25 1.20 0.00 0.00 173.24 175.44 171l h LEU 39 N 11.01 0.69 -1.97 3.45 5.85 -1.99 0.43 115.31 132.78 171l h LEU 39 Ca -0.44 -0.55 0.17 0.00 0.84 0.00 0.00 57.88 57.90 171l h LEU 39 Cb 1.21 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 171l h LEU 39 CO 0.95 1.11 0.50 0.78 -0.34 0.00 0.00 178.44 181.45 171l h ASN 40 N 0.29 0.00 0.09 1.25 2.35 -1.97 1.11 115.58 118.70 171l h ASN 40 Ca 0.00 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.51 171l h ASN 40 Cb 1.01 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.39 171l h ASN 40 CO 0.09 0.00 -0.94 0.00 -1.65 0.00 0.00 177.43 174.93 171l h ALA 41 N 1.54 0.27 -0.01 -0.83 0.00 -1.48 -2.00 119.26 116.76 171l h ALA 41 Ca 0.27 -0.68 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 171l h ALA 41 Cb 1.27 0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.09 171l h ALA 41 CO -0.00 0.73 -0.78 0.00 0.00 0.00 0.00 179.25 179.19 171l h ALA 42 N 0.57 0.11 -0.90 0.00 0.00 0.20 0.63 119.26 119.86 171l h ALA 42 Ca -0.09 -0.62 0.21 0.00 0.00 0.00 0.00 54.91 54.41 171l h ALA 42 Cb 1.58 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 19.29 171l h ALA 42 CO 0.18 0.50 0.43 0.87 0.00 0.00 0.00 179.25 181.23 171l h LYS 43 N 0.13 0.46 0.88 0.00 1.57 0.94 0.76 116.57 121.30 171l h LYS 43 Ca -0.09 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 171l h LYS 43 Cb 1.46 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.68 171l h LYS 43 CO 0.15 0.30 -0.44 1.03 -0.57 0.00 0.00 179.45 179.93 171l h SER 44 N 0.47 -1.05 -0.63 0.86 0.87 -1.16 -2.75 113.55 110.16 171l h SER 44 Ca 0.55 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 61.22 171l h SER 44 Cb 1.01 0.28 -0.10 0.00 -0.44 0.00 0.00 62.40 63.15 171l h SER 44 CO -0.49 -0.73 -0.57 0.00 -0.53 0.00 0.00 176.83 174.51 171l h ALA 45 N -1.41 -0.69 -0.10 6.23 0.00 0.11 -2.86 119.26 120.54 171l h ALA 45 Ca -0.12 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.84 171l h ALA 45 Cb 0.93 1.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 171l h ALA 45 CO 0.19 -1.02 -0.06 -0.11 0.00 0.00 0.00 179.25 178.25 171l n LEU 46 N -5.31 -0.11 0.00 0.00 7.94 0.17 -1.63 117.00 118.06 171l n LEU 46 Ca -0.01 0.98 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 171l n LEU 46 Cb 0.31 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 43.83 171l n LEU 46 CO -0.06 -0.55 0.46 0.47 -1.11 0.00 0.00 177.39 176.60 171l n ASP 47 N -3.15 0.00 -0.16 1.96 8.00 -1.05 0.28 116.55 122.43 171l n ASP 47 Ca 0.00 0.91 -0.03 0.00 0.71 0.00 0.00 54.79 56.39 171l n ASP 47 Cb 0.03 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 40.69 171l n ASP 47 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 171l n LYS 48 N -2.60 -0.14 -0.05 -1.24 4.81 -1.09 0.11 118.16 117.96 171l n LYS 48 Ca 0.00 0.61 -0.08 0.00 -0.87 0.00 0.00 58.31 57.97 171l n LYS 48 Cb 0.00 -0.89 -0.01 0.00 0.02 0.00 0.00 35.03 34.14 171l n LYS 48 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 171l h ALA 49 N 0.33 0.04 -0.07 3.14 0.00 -0.04 -3.29 119.26 119.38 171l h ALA 49 Ca 0.09 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 171l h ALA 49 Cb 0.19 0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.32 171l h ALA 49 CO -0.38 -0.56 -0.74 0.82 0.00 0.00 0.00 179.25 178.40 171l h ILE 50 N -0.12 1.33 0.00 0.00 1.08 0.54 -3.48 117.51 116.86 171l h ILE 50 Ca 0.13 -2.03 0.00 0.00 -0.39 0.00 0.00 64.86 62.58 171l h ILE 50 Cb 0.32 2.28 0.00 0.00 -3.07 0.00 0.00 36.82 36.35 171l h ILE 50 CO -0.32 0.62 0.00 0.61 -0.69 0.00 0.00 178.15 178.37 171l n GLY 51 N 0.89 0.94 3.56 5.37 0.00 0.53 -5.09 105.19 111.39 171l n GLY 51 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 171l n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 171l s ARG 52 N -0.39 2.02 -0.00 1.61 1.70 -1.24 -5.03 118.95 117.61 171l s ARG 52 Ca 0.00 -1.72 -0.26 0.00 -0.47 0.00 0.00 55.73 53.28 171l s ARG 52 Cb 0.00 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 171l s ARG 52 CO 0.00 -0.86 0.81 -0.80 -1.08 0.00 0.00 175.30 173.37 171l s ASN 53 N -3.22 7.19 0.00 -2.89 -0.87 -1.26 -4.28 114.94 109.61 171l s ASN 53 Ca 0.28 1.43 0.00 0.00 -1.57 0.00 0.00 52.86 53.00 171l s ASN 53 Cb -0.02 -2.48 0.00 0.00 -0.02 0.00 0.00 41.25 38.73 171l s ASN 53 CO 0.19 -0.11 0.01 0.35 -2.57 0.00 0.00 177.10 174.96 171l n THR 54 N 3.47 0.00 -0.70 1.60 -2.24 -1.26 -4.99 114.28 110.16 171l n THR 54 Ca 0.01 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 171l n THR 54 Cb 0.51 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 171l n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 171l n ASN 55 N -0.55 -4.03 0.00 3.42 2.85 -1.26 0.28 115.26 115.97 171l n ASN 55 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 171l n ASN 55 Cb 0.00 -2.62 0.00 0.00 1.24 0.00 0.00 39.78 38.40 171l n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 171l n GLY 56 N 0.58 1.03 3.06 8.20 0.00 -1.26 -5.04 105.19 111.76 171l n GLY 56 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 171l n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 171l s VAL 57 N -2.00 0.81 0.33 1.61 1.01 0.14 -2.49 120.40 119.82 171l s VAL 57 Ca 0.00 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.40 171l s VAL 57 Cb 0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 171l s VAL 57 CO 0.00 0.08 0.24 0.27 0.00 0.00 0.00 175.10 175.70 171l s ILE 58 N -0.52 0.08 0.37 2.22 -4.36 0.01 -4.77 121.20 114.23 171l s ILE 58 Ca 0.01 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.42 171l s ILE 58 Cb -0.05 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.16 171l s ILE 58 CO 0.00 0.00 0.56 0.42 0.24 0.00 0.00 174.94 176.16 171l s THR 59 N -3.48 4.72 0.28 8.37 -4.23 -1.26 -4.76 115.64 115.28 171l s THR 59 Ca 0.38 -0.55 0.01 0.00 -1.18 0.00 0.00 61.69 60.35 171l s THR 59 Cb 0.03 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 70.42 171l s THR 59 CO 0.24 -0.45 1.83 0.50 -0.54 0.00 0.00 174.62 176.20 171l h LYS 60 N 0.69 0.91 -0.13 3.99 3.64 -1.98 0.56 116.57 124.25 171l h LYS 60 Ca -0.49 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 58.66 171l h LYS 60 Cb 1.23 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 171l h LYS 60 CO 0.59 0.60 -0.67 -0.44 -2.27 0.00 0.00 179.45 177.27 171l h ASP 61 N 0.94 0.62 0.52 4.20 3.32 -1.95 0.19 116.42 124.25 171l h ASP 61 Ca 0.49 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 171l h ASP 61 Cb 0.50 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.88 171l h ASP 61 CO -0.27 1.12 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.79 171l h GLU 62 N 0.38 -0.67 -0.98 3.56 5.08 -1.27 0.28 114.58 120.95 171l h GLU 62 Ca -0.02 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.54 171l h GLU 62 Cb 1.25 0.15 -0.16 0.00 0.50 0.00 0.00 28.75 30.49 171l h GLU 62 CO 0.12 -0.36 -0.39 0.00 -1.00 0.00 0.00 179.01 177.39 171l h ALA 63 N -0.73 0.16 0.00 3.43 0.00 0.03 1.65 119.26 123.80 171l h ALA 63 Ca -0.07 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.12 171l h ALA 63 Cb 0.61 1.00 0.00 0.00 0.00 0.00 0.00 17.79 19.41 171l h ALA 63 CO 0.12 -0.62 0.00 0.93 0.00 0.00 0.00 179.25 179.68 171l h GLU 64 N -0.01 0.00 0.02 0.00 5.08 -0.42 -1.80 114.58 117.45 171l h GLU 64 Ca 0.35 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.66 171l h GLU 64 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 171l h GLU 64 CO -0.98 0.00 -0.24 -0.22 -1.00 0.00 0.00 179.01 176.57 171l h LYS 65 N 0.00 0.03 -0.90 2.33 3.64 0.61 -3.18 116.57 119.11 171l h LYS 65 Ca 0.00 -0.06 0.18 0.00 -1.27 0.00 0.00 60.65 59.50 171l h LYS 65 Cb 0.20 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 31.94 171l h LYS 65 CO 0.00 1.03 0.47 -0.07 -2.27 0.00 0.00 179.45 178.61 171l h LEU 66 N -0.92 0.54 -1.35 5.20 3.38 -1.20 -0.33 115.31 120.62 171l h LEU 66 Ca -0.06 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.07 171l h LEU 66 Cb 1.11 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 171l h LEU 66 CO -0.01 0.17 0.47 0.15 0.09 0.00 0.00 178.44 179.31 171l h PHE 67 N 0.59 0.81 -0.25 1.13 3.57 -1.37 0.26 116.94 121.68 171l h PHE 67 Ca 0.52 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 62.04 171l h PHE 67 Cb 0.85 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 171l h PHE 67 CO -0.08 0.46 0.13 -0.91 -2.23 0.00 0.00 178.31 175.67 171l h ASN 68 N 0.83 0.32 0.09 0.41 2.35 -1.03 -1.28 115.58 117.26 171l h ASN 68 Ca 0.29 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 171l h ASN 68 Cb 0.12 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 171l h ASN 68 CO -0.09 0.34 -0.06 1.56 -1.65 0.00 0.00 177.43 177.53 171l h GLN 69 N 0.28 -0.14 -0.99 0.81 4.20 -1.05 -0.38 115.11 117.83 171l h GLN 69 Ca 0.09 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.94 171l h GLN 69 Cb 0.10 0.03 -0.14 0.00 0.30 0.00 0.00 27.48 27.76 171l h GLN 69 CO -0.01 -0.09 -0.46 -0.25 -0.67 0.00 0.00 178.83 177.35 171l n ASP 70 N -2.57 -0.80 0.02 1.46 9.92 -0.03 0.24 116.55 124.79 171l n ASP 70 Ca -0.02 1.75 -0.12 0.00 -0.53 0.00 0.00 54.79 55.87 171l n ASP 70 Cb 0.06 -0.34 -0.05 0.00 -0.64 0.00 0.00 41.12 40.15 171l n ASP 70 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 171l h VAL 71 N 0.00 0.22 -0.05 2.53 2.07 -0.99 -1.44 116.25 118.59 171l h VAL 71 Ca 0.28 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.80 171l h VAL 71 Cb 0.52 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 171l h VAL 71 CO -0.97 0.00 -0.11 -0.78 0.02 0.00 0.00 177.57 175.73 171l h ASP 72 N -0.47 -0.36 0.00 0.57 3.58 0.16 -1.80 116.42 118.09 171l h ASP 72 Ca 0.08 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.57 171l h ASP 72 Cb 0.59 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.79 171l h ASP 72 CO -0.35 -0.09 0.00 0.00 -2.88 0.00 0.00 179.24 175.92 171l n ALA 73 N -2.70 0.00 -0.21 -0.78 0.00 -0.23 0.16 120.51 116.75 171l n ALA 73 Ca -0.01 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.64 171l n ALA 73 Cb 0.07 0.14 0.38 0.00 0.00 0.00 0.00 19.45 20.04 171l n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 171l n ALA 74 N -1.28 0.68 0.06 0.00 0.00 -0.55 0.25 120.51 119.67 171l n ALA 74 Ca 0.00 0.64 -0.18 0.00 0.00 0.00 0.00 53.44 53.89 171l n ALA 74 Cb 0.00 -0.65 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 171l n ALA 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 171l h VAL 75 N 0.00 1.06 -0.62 0.00 2.07 0.24 -2.34 116.25 116.67 171l h VAL 75 Ca 0.54 -2.70 -0.02 0.00 0.82 0.00 0.00 66.70 65.35 171l h VAL 75 Cb 1.47 2.74 -0.03 0.00 -1.52 0.00 0.00 31.29 33.95 171l h VAL 75 CO -0.47 0.82 0.32 0.03 0.02 0.00 0.00 177.57 178.29 171l h ARG 76 N 0.08 0.86 -0.30 1.57 3.08 1.07 0.34 114.38 121.09 171l h ARG 76 Ca -0.28 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 59.54 171l h ARG 76 Cb 2.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.91 171l h ARG 76 CO 0.16 0.65 -0.35 0.78 -1.07 0.00 0.00 179.97 180.14 171l h GLY 77 N 0.94 0.74 1.01 0.04 0.00 0.17 -2.42 103.07 103.56 171l h GLY 77 Ca 0.22 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 171l h GLY 77 CO -0.03 0.64 0.41 -2.22 0.00 0.00 0.00 176.54 175.34 171l h ILE 78 N 0.57 1.23 -0.11 2.60 2.04 -0.51 -3.22 117.51 120.10 171l h ILE 78 Ca 0.06 -0.57 -0.15 0.00 1.00 0.00 0.00 64.86 65.19 171l h ILE 78 Cb 0.87 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 171l h ILE 78 CO 0.08 0.25 -0.59 -0.07 0.00 0.00 0.00 178.15 177.82 171l h LEU 79 N 1.03 0.42 -1.90 1.44 3.38 -0.80 -3.21 115.31 115.68 171l h LEU 79 Ca 0.26 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 171l h LEU 79 Cb 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 171l h LEU 79 CO -0.04 0.91 0.02 0.54 0.09 0.00 0.00 178.44 179.96 171l n ARG 80 N -3.91 1.06 -3.37 1.13 1.74 -0.93 -4.70 116.66 107.68 171l n ARG 80 Ca -0.03 -0.11 -0.11 0.00 -0.77 0.00 0.00 57.85 56.84 171l n ARG 80 Cb 0.62 -1.12 -0.09 0.00 -1.02 0.00 0.00 32.46 30.84 171l n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 171l s ASN 81 N 0.76 0.43 0.56 0.55 3.84 -1.21 -4.98 114.94 114.89 171l s ASN 81 Ca 0.02 0.13 0.35 0.00 0.21 0.00 0.00 52.86 53.57 171l s ASN 81 Cb 0.02 1.00 1.48 0.00 -0.55 0.00 0.00 41.25 43.19 171l s ASN 81 CO 0.00 -0.31 1.74 0.00 -2.79 0.00 0.00 177.10 175.75 171l h ALA 82 N 8.20 2.98 0.01 1.71 0.00 -1.88 0.60 119.26 130.88 171l h ALA 82 Ca -0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 171l h ALA 82 Cb 1.15 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 171l h ALA 82 CO 0.28 -1.43 -0.00 0.87 0.00 0.00 0.00 179.25 178.96 171l h LYS 83 N 0.00 -0.01 -0.04 0.00 6.56 -1.94 -3.41 116.57 117.73 171l h LYS 83 Ca 0.51 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 60.07 171l h LYS 83 Cb 2.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.91 171l h LYS 83 CO -0.01 0.80 -0.10 -0.07 -2.06 0.00 0.00 179.45 178.02 171l h LEU 84 N -0.86 0.16 -0.07 2.94 3.38 -1.24 -3.40 115.31 116.21 171l h LEU 84 Ca -0.00 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.39 171l h LEU 84 Cb 0.81 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 171l h LEU 84 CO 0.00 0.71 -0.08 0.50 0.09 0.00 0.00 178.44 179.66 171l h LYS 85 N -0.40 -0.05 -0.52 1.13 3.64 -1.11 0.59 116.57 119.85 171l h LYS 85 Ca -0.00 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.59 171l h LYS 85 Cb 0.69 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.44 171l h LYS 85 CO 0.02 -0.03 0.30 -2.30 -2.27 0.00 0.00 179.45 175.17 171l n PRO 86 N -3.13 -0.03 0.18 1.90 -0.02 -1.26 -1.26 135.00 131.39 171l n PRO 86 Ca -0.00 0.65 -0.08 0.00 -2.02 0.00 0.00 63.50 62.05 171l n PRO 86 Cb 0.05 -1.19 -0.04 0.00 -0.02 0.00 0.00 33.50 32.30 171l n PRO 86 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 171l h VAL 87 N 0.00 0.00 -0.52 -1.45 2.07 -0.04 -1.89 116.25 114.42 171l h VAL 87 Ca 0.41 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.70 171l h VAL 87 Cb 1.15 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 171l h VAL 87 CO -0.33 0.00 -0.30 0.00 0.02 0.00 0.00 177.57 176.95 171l n TYR 88 N -4.12 -0.23 0.27 1.57 9.36 -0.39 0.23 117.16 123.86 171l n TYR 88 Ca -0.06 0.64 0.18 0.00 3.32 0.00 0.00 57.90 61.98 171l n TYR 88 Cb 0.20 -0.53 0.89 0.00 -0.63 0.00 0.00 39.34 39.27 171l n TYR 88 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 171l h ASP 89 N 0.00 0.00 0.73 2.98 3.32 -1.29 0.59 116.42 122.76 171l h ASP 89 Ca 0.08 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 171l h ASP 89 Cb 0.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 171l h ASP 89 CO -0.48 0.00 -0.68 0.77 -1.72 0.00 0.00 179.24 177.12 171l h SER 90 N 0.00 0.00 -4.12 6.45 4.64 0.38 -3.47 113.55 117.43 171l h SER 90 Ca 0.05 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.89 171l h SER 90 Cb 0.53 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.67 171l h SER 90 CO -0.00 0.68 0.39 -0.76 -0.87 0.00 0.00 176.83 176.27 171l s LEU 91 N -7.36 3.71 0.77 5.97 1.43 0.21 -5.05 118.68 118.36 171l s LEU 91 Ca -0.01 1.95 -0.12 0.00 -1.03 0.00 0.00 54.13 54.92 171l s LEU 91 Cb 0.12 -4.56 0.05 0.00 0.03 0.00 0.00 46.19 41.83 171l s LEU 91 CO 0.77 -1.01 1.12 1.51 0.23 0.00 0.00 176.35 178.97 171l s ASP 92 N -2.19 4.86 0.34 2.29 1.47 -1.26 -4.65 116.67 117.53 171l s ASP 92 Ca 0.67 1.07 0.05 0.00 1.18 0.00 0.00 52.55 55.52 171l s ASP 92 Cb -0.18 -1.76 0.70 0.00 -0.34 0.00 0.00 42.92 41.34 171l s ASP 92 CO 0.27 -1.71 1.92 0.00 0.68 0.00 0.00 175.17 176.33 171l h ALA 93 N -0.91 1.68 -0.17 2.11 0.00 -1.96 1.71 119.26 121.71 171l h ALA 93 Ca -0.46 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 171l h ALA 93 Cb 1.28 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.87 171l h ALA 93 CO 0.63 0.17 -0.40 0.28 0.00 0.00 0.00 179.25 179.93 171l h VAL 94 N 0.82 1.34 -0.03 0.00 2.07 -1.91 -2.65 116.25 115.89 171l h VAL 94 Ca 0.37 -1.66 -0.17 0.00 0.82 0.00 0.00 66.70 66.06 171l h VAL 94 Cb 0.35 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 171l h VAL 94 CO -0.14 0.51 -0.73 0.03 0.02 0.00 0.00 177.57 177.26 171l h ARG 95 N 0.24 0.17 0.00 1.57 3.08 -1.56 -0.95 114.38 116.93 171l h ARG 95 Ca -0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 171l h ARG 95 Cb 1.01 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.10 171l h ARG 95 CO 0.09 0.83 0.00 0.00 -1.07 0.00 0.00 179.97 179.82 171l h ARG 96 N 0.11 0.00 0.20 0.04 3.08 0.27 -1.28 114.38 116.80 171l h ARG 96 Ca -0.02 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.72 171l h ARG 96 Cb 1.29 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.37 171l h ARG 96 CO 0.11 0.00 -1.37 0.00 -1.07 0.00 0.00 179.97 177.64 171l h ALA 97 N 2.00 -0.05 -0.36 0.04 0.00 -0.82 -0.58 119.26 119.50 171l h ALA 97 Ca 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 54.91 53.90 171l h ALA 97 Cb 0.12 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 171l h ALA 97 CO 0.00 0.81 -0.34 0.00 0.00 0.00 0.00 179.25 179.72 171l h ALA 98 N 0.34 0.73 -0.44 0.00 0.00 -1.02 -2.60 119.26 116.27 171l h ALA 98 Ca -0.20 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 171l h ALA 98 Cb 2.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 171l h ALA 98 CO 0.25 0.66 0.15 1.25 0.00 0.00 0.00 179.25 181.56 171l h LEU 99 N 0.68 0.63 -2.01 0.00 5.85 -1.26 -1.96 115.31 117.25 171l h LEU 99 Ca 0.07 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.60 171l h LEU 99 Cb 0.89 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 171l h LEU 99 CO 0.08 0.66 0.33 0.40 -0.34 0.00 0.00 178.44 179.57 171l h ILE 100 N 0.57 0.00 0.44 4.05 2.04 -0.71 -2.03 117.51 121.88 171l h ILE 100 Ca 0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 171l h ILE 100 Cb 0.24 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 171l h ILE 100 CO -0.01 0.00 -0.21 -1.13 0.00 0.00 0.00 178.15 176.80 171l h ASN 101 N 0.00 -0.50 -0.72 1.72 -0.73 -1.20 -1.37 115.58 112.77 171l h ASN 101 Ca 0.00 0.02 0.14 0.00 1.87 0.00 0.00 56.30 58.33 171l h ASN 101 Cb 0.66 0.13 -0.14 0.00 0.27 0.00 0.00 38.32 39.25 171l h ASN 101 CO -0.00 -0.11 -0.21 0.24 -0.37 0.00 0.00 177.43 176.97 171l h MET 102 N -1.08 -0.02 -0.68 6.67 2.86 -1.10 0.92 114.93 122.49 171l h MET 102 Ca -0.06 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 171l h MET 102 Cb 0.45 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 171l h MET 102 CO 0.10 -0.02 0.19 0.28 1.06 0.00 0.00 176.91 178.53 171l h VAL 103 N -0.02 1.25 0.05 -2.22 2.07 -1.53 0.21 116.25 116.06 171l h VAL 103 Ca 0.34 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 171l h VAL 103 Cb 0.54 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 171l h VAL 103 CO -0.76 0.35 -0.02 0.15 0.02 0.00 0.00 177.57 177.31 171l h PHE 104 N 1.02 -0.06 0.16 1.57 3.04 0.58 -1.00 116.94 122.26 171l h PHE 104 Ca 0.22 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.16 171l h PHE 104 Cb 0.32 0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.85 171l h PHE 104 CO 0.02 0.09 -0.08 0.37 -2.02 0.00 0.00 178.31 176.69 171l h GLN 105 N -0.20 -0.21 0.00 1.11 4.15 0.98 -3.40 115.11 117.54 171l h GLN 105 Ca -0.01 0.01 -0.24 0.00 0.77 0.00 0.00 58.65 59.19 171l h GLN 105 Cb 0.18 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 171l h GLN 105 CO 0.01 -0.14 -1.40 0.00 -1.93 0.00 0.00 178.83 175.37 171l h MET 106 N -0.25 0.00 0.00 1.69 -0.00 -0.69 -3.51 114.93 112.17 171l h MET 106 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 171l h MET 106 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.77 171l h MET 106 CO 0.04 0.59 0.00 0.41 -0.00 0.00 0.00 176.91 177.95 171l n GLY 107 N 1.45 2.55 0.16 -3.00 0.00 -0.38 -4.40 105.19 101.58 171l n GLY 107 Ca -0.10 -1.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.02 171l n GLY 107 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 171l n GLU 108 N 1.08 -0.17 -0.01 1.61 2.13 -1.26 -1.95 120.64 122.07 171l n GLU 108 Ca 0.00 0.80 -0.06 0.00 0.66 0.00 0.00 57.16 58.56 171l n GLU 108 Cb 0.00 -1.18 -0.04 0.00 0.27 0.00 0.00 31.44 30.49 171l n GLU 108 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 171l h THR 109 N 0.00 0.00 -0.98 6.31 2.02 -1.96 0.25 112.91 118.55 171l h THR 109 Ca 0.06 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.42 171l h THR 109 Cb 0.16 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.48 171l h THR 109 CO -0.36 0.00 0.61 1.23 0.37 0.00 0.00 175.52 177.37 171l h GLY 110 N -0.21 1.55 1.48 2.16 0.00 -1.60 -0.11 103.07 106.33 171l h GLY 110 Ca 0.01 -0.34 -0.27 0.00 0.00 0.00 0.00 47.33 46.74 171l h GLY 110 CO -0.18 0.00 -1.36 -2.08 0.00 0.00 0.00 176.54 172.92 171l h VAL 111 N 0.74 1.31 -0.78 4.60 2.07 -1.31 -2.94 116.25 119.95 171l h VAL 111 Ca 0.53 -3.02 0.09 0.00 0.82 0.00 0.00 66.70 65.13 171l h VAL 111 Cb 0.86 2.73 -0.05 0.00 -1.52 0.00 0.00 31.29 33.31 171l h VAL 111 CO -0.31 0.81 0.51 0.00 0.02 0.00 0.00 177.57 178.60 171l h ALA 112 N 0.78 1.77 0.00 1.67 0.00 0.30 0.12 119.26 123.90 171l h ALA 112 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 171l h ALA 112 Cb 1.93 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.55 171l h ALA 112 CO 0.14 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.86 171l n GLY 113 N -1.45 0.00 2.59 0.00 0.00 -0.18 -3.30 105.19 102.85 171l n GLY 113 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 171l n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 171l n PHE 114 N -0.77 3.11 0.00 1.61 3.01 0.43 -4.84 117.46 120.00 171l n PHE 114 Ca 0.00 -2.65 0.00 0.00 1.01 0.00 0.00 57.45 55.81 171l n PHE 114 Cb 0.00 -0.94 0.00 0.00 -0.01 0.00 0.00 39.48 38.53 171l n PHE 114 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 171l n THR 115 N -0.64 0.00 0.04 4.37 -1.04 -1.21 -0.14 114.28 115.66 171l n THR 115 Ca 0.52 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.43 171l n THR 115 Cb 0.50 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.98 171l n THR 115 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 171l h ASN 116 N 0.00 -0.57 -0.00 8.00 2.35 -1.94 -2.42 115.58 121.00 171l h ASN 116 Ca 0.00 0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 171l h ASN 116 Cb 0.00 0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.56 171l h ASN 116 CO 0.00 -0.25 -0.47 0.77 -1.65 0.00 0.00 177.43 175.83 171l h SER 117 N -0.29 -1.43 -1.86 5.81 4.64 -0.91 0.30 113.55 119.82 171l h SER 117 Ca 0.07 0.17 0.54 0.00 -0.47 0.00 0.00 61.79 62.10 171l h SER 117 Cb 0.38 0.55 -0.07 0.00 -0.31 0.00 0.00 62.40 62.95 171l h SER 117 CO -0.21 -0.49 1.40 0.18 -0.87 0.00 0.00 176.83 176.84 171l n LEU 118 N -5.46 0.00 -0.04 5.97 4.77 -0.46 0.74 117.00 122.52 171l n LEU 118 Ca -0.06 0.96 -0.14 0.00 -0.03 0.00 0.00 56.01 56.73 171l n LEU 118 Cb 0.38 -0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 40.89 171l n LEU 118 CO 0.14 -0.96 0.44 -0.09 -1.33 0.00 0.00 177.39 175.59 171l h ARG 119 N 0.00 0.07 -0.54 3.23 2.43 -0.01 -2.86 114.38 116.70 171l h ARG 119 Ca 0.88 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.95 171l h ARG 119 Cb 3.66 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 33.21 171l h ARG 119 CO -0.01 0.87 0.21 0.52 -1.51 0.00 0.00 179.97 180.05 171l h MET 120 N -0.70 0.77 0.41 0.20 2.86 0.21 -1.13 114.93 117.56 171l h MET 120 Ca -0.01 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 171l h MET 120 Cb 0.90 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 171l h MET 120 CO 0.02 0.64 -0.24 -0.07 1.06 0.00 0.00 176.91 178.32 171l h LEU 121 N 0.77 -0.59 -2.01 1.22 3.38 -0.02 0.25 115.31 118.31 171l h LEU 121 Ca 0.18 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.22 171l h LEU 121 Cb 0.15 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 171l h LEU 121 CO -0.02 -0.39 0.08 -0.61 0.09 0.00 0.00 178.44 177.60 171l h GLN 122 N -0.62 0.00 0.00 1.13 4.15 -1.29 0.22 115.11 118.70 171l h GLN 122 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.37 171l h GLN 122 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 171l h GLN 122 CO 0.06 0.00 0.00 1.96 -1.93 0.00 0.00 178.83 178.92 171l h GLN 123 N 0.00 0.00 -0.33 1.69 4.20 -0.95 -3.47 115.11 116.25 171l h GLN 123 Ca 0.05 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 171l h GLN 123 Cb 0.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 171l h GLN 123 CO -0.00 0.00 -0.06 1.63 -0.67 0.00 0.00 178.83 179.73 171l n LYS 124 N -2.58 -0.20 -2.37 1.46 5.02 0.77 -4.99 118.16 115.27 171l n LYS 124 Ca 0.05 0.17 -0.43 0.00 -2.02 0.00 0.00 58.31 56.08 171l n LYS 124 Cb 0.46 -3.81 0.00 0.00 -0.02 0.00 0.00 35.03 31.66 171l n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 171l n ARG 125 N -1.42 3.55 -0.16 1.97 1.74 0.78 -4.84 116.66 118.27 171l n ARG 125 Ca -0.03 -3.51 -0.04 0.00 -0.77 0.00 0.00 57.85 53.51 171l n ARG 125 Cb 0.48 -2.96 0.03 0.00 -1.02 0.00 0.00 32.46 28.98 171l n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 171l h TRP 126 N 5.93 -0.50 0.19 -1.55 -0.00 -1.90 0.16 115.95 118.29 171l h TRP 126 Ca 0.40 0.05 -0.01 0.00 -0.00 0.00 0.00 58.89 59.33 171l h TRP 126 Cb 0.66 0.30 -0.00 0.00 -0.00 0.00 0.00 29.16 30.12 171l h TRP 126 CO 1.25 -0.29 -0.11 -0.44 -0.00 0.00 0.00 178.44 178.85 171l h ASP 127 N -0.09 -0.28 -0.83 -3.49 3.32 -1.88 -1.81 116.42 111.36 171l h ASP 127 Ca 0.24 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.38 171l h ASP 127 Cb 0.46 0.08 -0.10 0.00 0.22 0.00 0.00 39.33 39.99 171l h ASP 127 CO -0.57 -0.18 -0.49 -0.62 -1.72 0.00 0.00 179.24 175.67 171l n GLU 128 N -2.88 -0.36 -0.28 3.56 1.02 -1.10 0.21 120.64 120.80 171l n GLU 128 Ca -0.03 1.35 0.10 0.00 -0.02 0.00 0.00 57.16 58.55 171l n GLU 128 Cb 0.12 -1.99 0.23 0.00 -0.02 0.00 0.00 31.44 29.78 171l n GLU 128 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 171l h ALA 129 N 0.31 1.06 -0.16 0.62 0.00 -0.72 -0.95 119.26 119.43 171l h ALA 129 Ca 0.13 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.29 171l h ALA 129 Cb 0.34 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 171l h ALA 129 CO -0.78 -0.45 -0.09 0.00 0.00 0.00 0.00 179.25 177.93 171l n ALA 130 N -2.82 -0.10 0.26 0.00 0.00 0.57 0.85 120.51 119.26 171l n ALA 130 Ca 0.18 0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.85 171l n ALA 130 Cb 0.59 0.39 0.67 0.00 0.00 0.00 0.00 19.45 21.10 171l n ALA 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 171l h VAL 131 N 0.00 0.87 -0.25 0.00 2.07 -1.10 0.34 116.25 118.18 171l h VAL 131 Ca 0.03 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 171l h VAL 131 Cb 0.06 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 171l h VAL 131 CO -0.15 0.09 0.10 -1.13 0.02 0.00 0.00 177.57 176.50 171l h ASN 132 N 0.00 0.34 -0.93 0.57 -0.73 0.89 -2.45 115.58 113.26 171l h ASN 132 Ca -0.00 -0.16 0.08 0.00 1.87 0.00 0.00 56.30 58.09 171l h ASN 132 Cb 0.18 -0.09 -0.06 0.00 0.27 0.00 0.00 38.32 38.61 171l h ASN 132 CO 0.01 0.40 0.60 -0.07 -0.37 0.00 0.00 177.43 178.01 171l h LEU 133 N 0.25 0.92 -1.67 0.34 3.38 0.23 -2.66 115.31 116.11 171l h LEU 133 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 171l h LEU 133 Cb 0.16 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.73 171l h LEU 133 CO -0.01 0.57 0.11 0.00 0.09 0.00 0.00 178.44 179.20 171l h ALA 134 N 1.51 1.08 -3.62 1.53 0.00 0.09 -3.39 119.26 116.47 171l h ALA 134 Ca 0.41 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.71 171l h ALA 134 Cb 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.66 171l h ALA 134 CO -0.17 -0.08 -0.78 0.15 0.00 0.00 0.00 179.25 178.37 171l s LYS 135 N -3.68 1.58 0.00 0.00 1.02 -1.01 -4.81 119.74 112.85 171l s LYS 135 Ca -0.03 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 54.91 171l s LYS 135 Cb 0.07 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 171l s LYS 135 CO 0.23 -0.64 0.00 -1.13 -0.92 0.00 0.00 175.35 172.89 171l n SER 136 N 4.65 0.00 0.00 2.83 3.41 -1.26 -5.00 113.62 118.25 171l n SER 136 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 171l n SER 136 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 171l n SER 136 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 171l n ARG 137 N 0.00 0.00 0.00 4.33 0.63 -1.26 -2.90 116.66 117.46 171l n ARG 137 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 171l n ARG 137 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 171l n ARG 137 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 171l n TRP 138 N -1.95 0.00 0.00 -0.14 -0.00 -1.26 -1.27 117.44 112.83 171l n TRP 138 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 171l n TRP 138 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 171l n TRP 138 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 171l n TYR 139 N 0.00 0.00 -2.36 5.87 9.36 -1.14 0.32 117.16 129.21 171l n TYR 139 Ca 0.00 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.96 171l n TYR 139 Cb 0.00 -0.23 0.01 0.00 -0.63 0.00 0.00 39.34 38.48 171l n TYR 139 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 171l n ASN 140 N -1.92 4.74 0.00 2.98 4.13 -0.39 -2.56 115.26 122.25 171l n ASN 140 Ca 0.00 -3.72 0.00 0.00 1.68 0.00 0.00 54.58 52.54 171l n ASN 140 Cb 0.00 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 37.81 171l n ASN 140 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 171l n GLN 141 N -0.54 0.00 -3.06 3.52 3.00 0.97 -4.94 117.38 116.34 171l n GLN 141 Ca 0.40 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 57.23 171l n GLN 141 Cb 0.74 -0.34 -0.04 0.00 0.00 0.00 0.00 30.24 30.60 171l n GLN 141 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 171l n THR 142 N -0.96 -0.57 0.16 5.09 -2.24 -0.79 -4.70 114.28 110.28 171l n THR 142 Ca 0.00 -2.38 0.02 0.00 -2.27 0.00 0.00 64.05 59.42 171l n THR 142 Cb 0.00 -0.35 0.26 0.00 -2.10 0.00 0.00 70.33 68.14 171l n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 171l h PRO 143 N 5.01 0.00 -0.09 -0.78 0.14 -1.73 -0.44 132.00 134.11 171l h PRO 143 Ca 0.12 0.00 -0.20 0.00 0.14 0.00 0.00 66.00 66.06 171l h PRO 143 Cb 0.99 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.13 171l h PRO 143 CO 0.24 0.49 -0.76 -0.91 0.14 0.00 0.00 178.00 177.20 171l h ASN 144 N 0.00 0.60 0.65 1.44 2.35 -1.98 0.23 115.58 118.87 171l h ASN 144 Ca -0.00 -0.40 -0.03 0.00 -0.55 0.00 0.00 56.30 55.31 171l h ASN 144 Cb 0.99 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 39.19 171l h ASN 144 CO 0.06 1.16 -0.32 -0.09 -1.65 0.00 0.00 177.43 176.59 171l h ARG 145 N 0.34 -0.85 -0.61 0.81 2.43 -1.88 -0.61 114.38 114.00 171l h ARG 145 Ca -0.04 0.06 0.13 0.00 -0.81 0.00 0.00 59.98 59.31 171l h ARG 145 Cb 1.36 0.19 -0.11 0.00 -0.42 0.00 0.00 29.97 30.99 171l h ARG 145 CO 0.14 -0.57 -0.08 0.00 -1.51 0.00 0.00 179.97 177.95 171l h ALA 146 N -0.53 0.49 0.00 2.80 0.00 -1.08 1.01 119.26 121.94 171l h ALA 146 Ca -0.09 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 171l h ALA 146 Cb 0.68 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 171l h ALA 146 CO 0.14 -0.42 -0.01 0.87 0.00 0.00 0.00 179.25 179.84 171l h LYS 147 N 0.05 0.00 0.17 0.00 1.57 -0.32 0.17 116.57 118.21 171l h LYS 147 Ca 0.31 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 171l h LYS 147 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 171l h LYS 147 CO -0.58 0.01 -0.08 0.00 -0.57 0.00 0.00 179.45 178.22 171l h ARG 148 N 0.00 -0.22 -0.67 3.15 3.08 0.26 -2.82 114.38 117.16 171l h ARG 148 Ca -0.00 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.11 171l h ARG 148 Cb 0.05 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 171l h ARG 148 CO 0.00 0.16 0.39 0.28 -1.07 0.00 0.00 179.97 179.73 171l h VAL 149 N -0.93 1.01 0.00 2.04 2.07 -1.16 0.18 116.25 119.46 171l h VAL 149 Ca -0.02 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 171l h VAL 149 Cb 0.49 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 171l h VAL 149 CO 0.04 0.13 -0.09 0.40 0.02 0.00 0.00 177.57 178.08 171l h ILE 150 N 0.73 0.49 0.11 4.57 2.04 -0.76 0.55 117.51 125.23 171l h ILE 150 Ca 0.29 -0.41 -0.19 0.00 1.00 0.00 0.00 64.86 65.55 171l h ILE 150 Cb 0.13 1.27 0.01 0.00 -0.74 0.00 0.00 36.82 37.49 171l h ILE 150 CO -0.15 0.08 -0.89 0.74 0.00 0.00 0.00 178.15 177.93 171l h THR 151 N 0.00 1.40 -0.98 -0.27 2.02 -0.61 -0.80 112.91 113.68 171l h THR 151 Ca -0.00 -2.47 0.10 0.00 0.77 0.00 0.00 66.41 64.81 171l h THR 151 Cb 0.27 3.06 -0.07 0.00 -1.74 0.00 0.00 68.15 69.66 171l h THR 151 CO 0.01 0.68 0.62 0.74 0.37 0.00 0.00 175.52 177.95 171l h THR 152 N -0.46 0.98 -0.14 3.16 2.02 0.16 0.39 112.91 119.03 171l h THR 152 Ca -0.18 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 171l h THR 152 Cb 1.58 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 171l h THR 152 CO 0.09 0.19 -0.03 -0.26 0.37 0.00 0.00 175.52 175.88 171l h PHE 153 N 1.01 0.29 0.00 3.16 0.04 0.01 -0.89 116.94 120.57 171l h PHE 153 Ca 0.46 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 61.17 171l h PHE 153 Cb 0.39 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.47 171l h PHE 153 CO -0.00 0.54 0.00 -2.13 -0.60 0.00 0.00 178.31 176.12 171l n ARG 154 N -4.72 0.00 0.05 1.51 0.63 0.12 -3.23 116.66 111.02 171l n ARG 154 Ca -0.06 0.44 0.13 0.00 -0.92 0.00 0.00 57.85 57.44 171l n ARG 154 Cb 0.25 -1.07 0.51 0.00 0.45 0.00 0.00 32.46 32.60 171l n ARG 154 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 171l n THR 155 N -1.12 0.36 -3.83 5.15 -2.24 -0.10 -4.80 114.28 107.69 171l n THR 155 Ca 0.00 -0.06 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 171l n THR 155 Cb 0.00 -0.63 0.04 0.00 -2.10 0.00 0.00 70.33 67.64 171l n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 171l n GLY 156 N 1.18 -0.51 0.71 3.38 0.00 -0.34 -4.97 105.19 104.64 171l n GLY 156 Ca 0.06 0.21 -0.04 0.00 0.00 0.00 0.00 46.02 46.25 171l n GLY 156 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 171l n THR 157 N -4.78 0.00 -0.83 2.61 -2.24 -1.25 -4.89 114.28 102.89 171l n THR 157 Ca 0.03 -0.45 0.08 0.00 -2.27 0.00 0.00 64.05 61.44 171l n THR 157 Cb 0.53 0.25 0.28 0.00 -2.10 0.00 0.00 70.33 69.29 171l n THR 157 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 171l n TRP 158 N -0.13 1.13 -0.06 4.78 7.02 -1.26 -4.54 117.44 124.38 171l n TRP 158 Ca 0.01 -0.78 0.23 0.00 -1.02 0.00 0.00 57.50 55.94 171l n TRP 158 Cb 0.13 -0.30 0.70 0.00 -2.42 0.00 0.00 31.31 29.42 171l n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 171l h ASP 159 N 2.42 0.00 1.04 -0.99 5.19 -1.98 1.04 116.42 123.14 171l h ASP 159 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 171l h ASP 159 Cb 1.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.95 171l h ASP 159 CO 0.24 0.00 -0.30 0.00 -3.12 0.00 0.00 179.24 176.06 171l n ALA 160 N -2.66 2.70 -0.98 3.45 0.00 -1.26 -1.31 120.51 120.46 171l n ALA 160 Ca 0.13 -0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.49 171l n ALA 160 Cb 0.73 -1.31 0.27 0.00 0.00 0.00 0.00 19.45 19.14 171l n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 171l n TYR 161 N -1.98 1.02 0.21 0.00 4.02 0.35 -4.99 117.16 115.79 171l n TYR 161 Ca 0.05 -0.86 0.02 0.00 -0.01 0.00 0.00 57.90 57.10 171l n TYR 161 Cb 0.41 -0.33 0.02 0.00 -0.02 0.00 0.00 39.34 39.42 171l n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48