#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 141l s ASN 2 N 0.00 0.04 0.23 6.12 2.20 -1.26 -5.04 114.94 117.24 141l s ASN 2 Ca 0.00 -0.98 -0.06 0.00 -0.94 0.00 0.00 52.86 50.87 141l s ASN 2 Cb 0.00 0.72 0.41 0.00 -2.00 0.00 0.00 41.25 40.38 141l s ASN 2 CO 0.00 -1.39 1.69 -0.29 -2.94 0.00 0.00 177.10 174.17 141l h ILE 3 N 2.08 0.55 -0.18 0.54 6.09 -1.98 0.38 117.51 124.99 141l h ILE 3 Ca -0.26 -0.09 -0.01 0.00 -1.37 0.00 0.00 64.86 63.12 141l h ILE 3 Cb 1.25 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 38.79 141l h ILE 3 CO 0.34 0.05 0.06 -0.26 -3.07 0.00 0.00 178.15 175.27 141l h PHE 4 N 0.27 0.29 -0.61 2.19 -1.00 -1.99 -0.64 116.94 115.45 141l h PHE 4 Ca 0.39 -0.03 -0.03 0.00 2.81 0.00 0.00 57.97 61.11 141l h PHE 4 Cb 0.64 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 40.08 141l h PHE 4 CO -0.26 0.38 0.28 0.93 -1.61 0.00 0.00 178.31 178.02 141l h GLU 5 N 0.13 0.89 -0.04 1.51 5.08 -1.81 -0.75 114.58 119.59 141l h GLU 5 Ca 0.06 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 141l h GLU 5 Cb 0.22 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 141l h GLU 5 CO -0.00 0.73 -0.02 1.98 -1.00 0.00 0.00 179.01 180.70 141l h MET 6 N 0.84 -0.02 -0.01 2.33 4.05 -0.81 -0.70 114.93 120.61 141l h MET 6 Ca 0.21 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.51 141l h MET 6 Cb 0.14 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 141l h MET 6 CO -0.02 -0.01 -0.54 -0.07 0.23 0.00 0.00 176.91 176.49 141l h LEU 7 N -0.02 0.04 -1.34 3.39 3.38 -0.99 -1.87 115.31 117.90 141l h LEU 7 Ca 0.02 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 141l h LEU 7 Cb 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 141l h LEU 7 CO -0.05 0.57 -0.30 -0.09 0.09 0.00 0.00 178.44 178.65 141l h ARG 8 N 0.03 0.05 -0.15 1.13 9.65 -0.73 0.12 114.38 124.47 141l h ARG 8 Ca -0.00 -0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 58.74 141l h ARG 8 Cb 0.96 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.54 141l h ARG 8 CO 0.07 0.35 -0.37 0.82 2.80 0.00 0.00 179.97 183.64 141l h ILE 9 N 0.04 1.36 -0.22 1.20 2.04 -0.36 -2.25 117.51 119.32 141l h ILE 9 Ca 0.00 -1.65 -0.17 0.00 1.00 0.00 0.00 64.86 64.05 141l h ILE 9 Cb 0.56 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 141l h ILE 9 CO 0.04 0.50 -0.55 0.44 0.00 0.00 0.00 178.15 178.58 141l h ASP 10 N 0.13 0.73 0.37 1.72 3.32 -1.00 -3.33 116.42 118.36 141l h ASP 10 Ca -0.01 -0.39 -0.22 0.00 0.02 0.00 0.00 57.03 56.44 141l h ASP 10 Cb 0.98 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.28 141l h ASP 10 CO 0.08 1.13 -1.82 -0.62 -1.72 0.00 0.00 179.24 176.29 141l n GLU 11 N -3.97 0.65 -0.00 3.56 -0.58 0.38 -5.09 120.64 115.59 141l n GLU 11 Ca -0.03 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 141l n GLU 11 Cb 0.61 -1.68 -0.00 0.00 -0.57 0.00 0.00 31.44 29.80 141l n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 141l n GLY 12 N 1.50 -2.11 2.95 0.62 0.00 -0.85 -4.51 105.19 102.80 141l n GLY 12 Ca -0.17 -1.43 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 141l n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 141l s LEU 13 N 0.00 -0.15 -0.04 0.99 2.96 -1.26 -4.33 118.68 116.85 141l s LEU 13 Ca 0.00 0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 141l s LEU 13 Cb 0.00 0.55 0.01 0.00 0.50 0.00 0.00 46.19 47.26 141l s LEU 13 CO 0.00 -0.23 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.60 141l s ARG 14 N 2.27 0.91 0.00 1.98 0.52 -0.77 -5.00 118.95 118.86 141l s ARG 14 Ca 0.01 -0.20 0.27 0.00 -0.52 0.00 0.00 55.73 55.29 141l s ARG 14 Cb -0.12 -0.86 0.84 0.00 0.52 0.00 0.00 34.95 35.32 141l s ARG 14 CO -0.08 0.00 1.62 1.28 0.02 0.00 0.00 175.30 178.15 141l n LEU 15 N 3.70 0.99 -4.43 2.53 4.77 -1.26 -0.05 117.00 123.24 141l n LEU 15 Ca -0.22 -0.25 -0.27 0.00 -0.03 0.00 0.00 56.01 55.24 141l n LEU 15 Cb 0.52 -0.12 -0.12 0.00 -2.33 0.00 0.00 43.42 41.38 141l n LEU 15 CO 0.24 0.18 -0.52 -0.54 -1.33 0.00 0.00 177.39 175.42 141l s LYS 16 N -2.46 1.56 0.30 3.23 1.02 -1.26 -2.07 119.74 120.06 141l s LYS 16 Ca 0.26 -1.49 -0.29 0.00 0.02 0.00 0.00 55.97 54.47 141l s LYS 16 Cb 0.19 -1.88 -0.12 0.00 -0.52 0.00 0.00 37.83 35.50 141l s LYS 16 CO 0.50 0.41 1.43 -0.89 -0.92 0.00 0.00 175.35 175.88 141l n ILE 17 N 0.31 1.44 -4.20 2.17 5.41 -0.99 -4.66 119.36 118.84 141l n ILE 17 Ca -0.13 -0.36 -0.16 0.00 1.00 0.00 0.00 62.75 63.10 141l n ILE 17 Cb 0.56 -1.70 -0.08 0.00 -0.71 0.00 0.00 39.64 37.71 141l n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 141l s TYR 18 N -0.52 1.36 -0.16 1.39 1.13 0.19 -4.94 117.35 115.80 141l s TYR 18 Ca 0.61 -1.45 -0.06 0.00 -1.41 0.00 0.00 57.07 54.77 141l s TYR 18 Cb -0.56 -0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 39.78 141l s TYR 18 CO 0.55 -0.87 0.03 0.15 -2.51 0.00 0.00 175.55 172.90 141l s LYS 19 N -3.60 3.77 0.00 -3.49 1.02 -1.26 0.13 119.74 116.31 141l s LYS 19 Ca 0.37 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.96 141l s LYS 19 Cb 0.03 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.26 141l s LYS 19 CO 0.20 0.32 0.00 -0.40 -0.92 0.00 0.00 175.35 174.56 141l n ASP 20 N 3.34 -0.53 0.24 2.83 5.68 0.25 -4.80 116.55 123.56 141l n ASP 20 Ca -0.17 -0.51 0.11 0.00 -0.50 0.00 0.00 54.79 53.72 141l n ASP 20 Cb 0.52 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.11 141l n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 141l h THR 21 N -1.11 0.61 -0.02 2.12 1.35 -1.99 -2.67 112.91 111.19 141l h THR 21 Ca 0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 141l h THR 21 Cb 0.00 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 141l h THR 21 CO 0.00 0.17 -0.04 -0.62 -0.25 0.00 0.00 175.52 174.78 141l n GLU 22 N -3.58 1.88 -0.43 4.72 -0.58 -1.26 -4.97 120.64 116.43 141l n GLU 22 Ca -0.01 -1.36 0.00 0.00 -0.42 0.00 0.00 57.16 55.36 141l n GLU 22 Cb 0.32 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 141l n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 141l n GLY 23 N 1.28 0.77 3.88 0.62 0.00 -1.01 -5.08 105.19 105.65 141l n GLY 23 Ca 0.16 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 141l n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 141l s TYR 24 N -2.00 3.60 0.12 1.61 2.02 -1.26 -4.65 117.35 116.79 141l s TYR 24 Ca 0.00 0.62 -0.31 0.00 -0.37 0.00 0.00 57.07 57.01 141l s TYR 24 Cb 0.00 -2.02 -0.11 0.00 -0.40 0.00 0.00 41.96 39.43 141l s TYR 24 CO 0.00 0.65 1.84 0.66 -1.57 0.00 0.00 175.55 177.13 141l n TYR 25 N 1.43 2.62 -4.19 2.71 4.01 -1.16 -0.58 117.16 121.99 141l n TYR 25 Ca -0.14 -0.15 -0.13 0.00 -0.16 0.00 0.00 57.90 57.32 141l n TYR 25 Cb 0.53 -2.73 -0.09 0.00 -0.31 0.00 0.00 39.34 36.74 141l n TYR 25 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 141l s THR 26 N 2.79 0.00 0.19 -0.72 2.01 0.35 -0.49 115.64 119.76 141l s THR 26 Ca 0.82 -1.94 -0.21 0.00 0.31 0.00 0.00 61.69 60.67 141l s THR 26 Cb -0.48 -2.48 0.05 0.00 0.01 0.00 0.00 72.50 69.60 141l s THR 26 CO 0.38 0.00 0.61 -0.51 -0.69 0.00 0.00 174.62 174.40 141l s ILE 27 N -4.04 0.01 0.00 1.82 2.07 -0.67 0.55 121.20 120.94 141l s ILE 27 Ca 0.37 -0.41 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 141l s ILE 27 Cb 0.06 -1.36 0.00 0.00 0.13 0.00 0.00 42.46 41.29 141l s ILE 27 CO 0.14 -0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.74 141l n GLY 28 N -0.39 2.85 2.97 1.50 0.00 0.93 -1.58 105.19 111.47 141l n GLY 28 Ca -0.12 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 141l n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 141l n ILE 29 N 0.00 3.82 -1.45 -0.61 5.41 -1.26 -1.85 119.36 123.41 141l n ILE 29 Ca 0.00 -5.43 -0.10 0.00 1.00 0.00 0.00 62.75 58.22 141l n ILE 29 Cb 0.00 -2.26 -0.04 0.00 -0.71 0.00 0.00 39.64 36.63 141l n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 141l n GLY 30 N 1.76 0.97 3.57 7.39 0.00 -1.25 -4.90 105.19 112.73 141l n GLY 30 Ca 0.25 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 141l n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 141l s HIS 31 N -2.41 2.60 0.07 1.61 5.04 -0.61 -4.90 115.29 116.70 141l s HIS 31 Ca 0.00 0.30 -0.31 0.00 -1.54 0.00 0.00 55.06 53.51 141l s HIS 31 Cb 0.00 -4.46 -0.08 0.00 0.04 0.00 0.00 32.58 28.08 141l s HIS 31 CO 0.00 -1.60 1.50 -1.17 -2.34 0.00 0.00 174.74 171.13 141l s LEU 32 N 4.87 4.35 -0.21 8.88 2.96 -1.26 -1.67 118.68 136.61 141l s LEU 32 Ca 0.40 2.36 -0.11 0.00 -0.22 0.00 0.00 54.13 56.55 141l s LEU 32 Cb -0.08 -3.57 -0.19 0.00 0.50 0.00 0.00 46.19 42.85 141l s LEU 32 CO 0.23 -0.77 0.02 0.18 -1.32 0.00 0.00 176.35 174.70 141l n LEU 33 N 4.90 2.31 -3.49 -0.68 4.77 0.35 -4.96 117.00 120.20 141l n LEU 33 Ca 0.14 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.26 141l n LEU 33 Cb 0.42 -0.96 -0.02 0.00 -2.33 0.00 0.00 43.42 40.52 141l n LEU 33 CO 0.60 0.63 0.62 0.28 -1.33 0.00 0.00 177.39 178.19 141l s THR 34 N -2.48 0.00 -0.33 -5.08 -1.32 -1.19 -4.95 115.64 100.29 141l s THR 34 Ca -0.31 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.39 141l s THR 34 Cb 0.09 -1.00 -0.21 0.00 -1.51 0.00 0.00 72.50 69.87 141l s THR 34 CO 0.61 0.00 0.77 0.29 -2.21 0.00 0.00 174.62 174.09 141l n LYS 35 N -0.21 0.48 -1.82 7.08 5.02 -1.26 -3.01 118.16 124.44 141l n LYS 35 Ca -0.11 -0.07 -0.39 0.00 -2.02 0.00 0.00 58.31 55.72 141l n LYS 35 Cb 0.62 -1.59 0.03 0.00 -0.02 0.00 0.00 35.03 34.07 141l n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 141l s SER 36 N -4.35 5.56 0.00 4.39 0.15 -1.26 -4.91 113.70 113.27 141l s SER 36 Ca -0.02 2.79 0.26 0.00 0.70 0.00 0.00 55.95 59.68 141l s SER 36 Cb 0.13 -2.64 1.31 0.00 -1.71 0.00 0.00 66.02 63.11 141l s SER 36 CO 0.86 -1.38 1.87 -0.81 1.20 0.00 0.00 173.24 174.97 141l n PRO 37 N -0.67 0.39 -3.03 5.44 -0.05 -1.26 -4.71 135.00 131.10 141l n PRO 37 Ca 0.08 0.04 -0.40 0.00 -0.05 0.00 0.00 63.50 63.17 141l n PRO 37 Cb 0.44 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 32.34 141l n PRO 37 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 141l s SER 38 N -2.54 6.88 0.35 3.54 0.15 -1.26 -4.93 113.70 115.88 141l s SER 38 Ca 0.25 1.07 0.11 0.00 0.70 0.00 0.00 55.95 58.08 141l s SER 38 Cb 0.17 -2.40 0.63 0.00 -1.71 0.00 0.00 66.02 62.71 141l s SER 38 CO 0.39 -0.25 1.78 0.25 1.20 0.00 0.00 173.24 176.61 141l h LEU 39 N 7.67 0.04 -0.25 3.45 5.85 -1.99 -1.77 115.31 128.31 141l h LEU 39 Ca -0.34 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.29 141l h LEU 39 Cb 1.16 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 141l h LEU 39 CO 0.78 0.44 -0.11 0.78 -0.34 0.00 0.00 178.44 180.00 141l h ASN 40 N 0.03 0.53 -0.76 1.25 2.35 -1.98 0.68 115.58 117.68 141l h ASN 40 Ca 0.00 -0.40 0.07 0.00 -0.55 0.00 0.00 56.30 55.42 141l h ASN 40 Cb 0.73 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.91 141l h ASN 40 CO 0.05 0.81 0.50 0.00 -1.65 0.00 0.00 177.43 177.14 141l h ALA 41 N 0.74 1.70 -0.33 -0.83 0.00 -1.87 0.15 119.26 118.81 141l h ALA 41 Ca 0.06 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 141l h ALA 41 Cb 0.60 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 141l h ALA 41 CO 0.03 0.17 -0.33 0.00 0.00 0.00 0.00 179.25 179.13 141l h ALA 42 N 1.59 0.80 -0.27 0.00 0.00 -0.74 -2.17 119.26 118.48 141l h ALA 42 Ca 0.34 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 141l h ALA 42 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 141l h ALA 42 CO -0.12 0.65 -0.30 0.87 0.00 0.00 0.00 179.25 180.35 141l h LYS 43 N 0.61 0.56 -0.43 0.00 1.57 0.98 -1.03 116.57 118.83 141l h LYS 43 Ca 0.07 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 141l h LYS 43 Cb 0.85 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 141l h LYS 43 CO 0.07 0.80 0.00 1.03 -0.57 0.00 0.00 179.45 180.78 141l h SER 44 N 0.48 0.75 -0.53 0.86 0.87 -0.62 -1.58 113.55 113.78 141l h SER 44 Ca 0.06 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 141l h SER 44 Cb 0.76 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 141l h SER 44 CO 0.06 0.87 0.27 -0.33 -0.53 0.00 0.00 176.83 177.17 141l h GLU 45 N 0.60 0.74 -0.49 2.24 4.39 -1.14 0.15 114.58 121.07 141l h GLU 45 Ca 0.12 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.73 141l h GLU 45 Cb 0.49 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 141l h GLU 45 CO 0.02 0.59 0.31 1.25 -1.16 0.00 0.00 179.01 180.03 141l h LEU 46 N 0.70 0.58 -0.50 1.33 5.85 -0.98 0.18 115.31 122.46 141l h LEU 46 Ca 0.18 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 141l h LEU 46 Cb 0.08 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 141l h LEU 46 CO -0.03 0.44 0.07 0.44 -0.34 0.00 0.00 178.44 179.02 141l h ASP 47 N 0.66 0.81 -0.95 1.25 3.32 -0.92 0.05 116.42 120.64 141l h ASP 47 Ca 0.18 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 56.97 141l h ASP 47 Cb -0.05 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.24 141l h ASP 47 CO -0.04 0.88 0.63 0.50 -1.72 0.00 0.00 179.24 179.49 141l h LYS 48 N 0.72 1.26 -0.40 3.56 3.64 -0.70 0.31 116.57 124.96 141l h LYS 48 Ca 0.15 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 141l h LYS 48 Cb 0.42 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 141l h LYS 48 CO 0.01 0.83 -0.25 0.00 -2.27 0.00 0.00 179.45 177.77 141l h ALA 49 N 1.35 0.81 0.08 5.00 0.00 0.14 -3.32 119.26 123.31 141l h ALA 49 Ca 0.35 -0.39 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 141l h ALA 49 Cb -0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 141l h ALA 49 CO -0.08 0.65 -1.72 0.82 0.00 0.00 0.00 179.25 178.92 141l h ILE 50 N 0.71 0.90 0.00 0.00 1.08 -0.82 -3.49 117.51 115.89 141l h ILE 50 Ca 0.09 -2.64 0.00 0.00 -0.39 0.00 0.00 64.86 61.92 141l h ILE 50 Cb 0.78 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 37.10 141l h ILE 50 CO 0.06 0.73 0.00 0.61 -0.69 0.00 0.00 178.15 178.87 141l n GLY 51 N 1.72 1.30 3.83 5.37 0.00 0.11 -5.06 105.19 112.45 141l n GLY 51 Ca -0.21 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 141l n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 141l s ARG 52 N -1.30 1.66 -0.60 1.61 1.70 -1.13 -5.07 118.95 115.83 141l s ARG 52 Ca 0.00 -0.95 -0.25 0.00 -0.47 0.00 0.00 55.73 54.07 141l s ARG 52 Cb 0.00 0.55 0.05 0.00 -0.57 0.00 0.00 34.95 34.97 141l s ARG 52 CO 0.00 -0.77 1.01 1.21 -1.08 0.00 0.00 175.30 175.68 141l s ASN 53 N -2.96 6.29 -0.04 -2.89 2.47 -1.26 -4.36 114.94 112.20 141l s ASN 53 Ca 0.12 -0.45 0.13 0.00 0.42 0.00 0.00 52.86 53.08 141l s ASN 53 Cb -0.05 -2.46 -0.22 0.00 -1.45 0.00 0.00 41.25 37.07 141l s ASN 53 CO 0.06 -1.37 0.67 0.35 -3.72 0.00 0.00 177.10 173.10 141l n THR 54 N 6.21 1.58 -2.51 -5.21 -2.24 -1.26 -4.96 114.28 105.89 141l n THR 54 Ca 0.01 -0.79 -0.16 0.00 -2.27 0.00 0.00 64.05 60.84 141l n THR 54 Cb 0.47 -1.01 0.01 0.00 -2.10 0.00 0.00 70.33 67.70 141l n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 141l n ASN 55 N -3.03 -4.87 0.00 3.42 5.15 -1.26 -2.87 115.26 111.80 141l n ASN 55 Ca -0.16 -0.09 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 141l n ASN 55 Cb 1.04 -3.89 0.00 0.00 -0.53 0.00 0.00 39.78 36.40 141l n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 141l n GLY 56 N -1.14 0.50 3.17 8.20 0.00 -1.26 -5.01 105.19 109.64 141l n GLY 56 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 141l n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 141l s VAL 57 N -2.19 1.36 0.34 1.61 1.01 -1.14 -2.35 120.40 119.04 141l s VAL 57 Ca 0.00 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.19 141l s VAL 57 Cb 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 141l s VAL 57 CO 0.00 0.32 0.07 0.27 0.00 0.00 0.00 175.10 175.76 141l s ILE 58 N -0.50 1.02 0.39 2.22 -4.36 -0.88 -4.79 121.20 114.30 141l s ILE 58 Ca 0.06 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.51 141l s ILE 58 Cb -0.07 -2.69 -0.00 0.00 1.25 0.00 0.00 42.46 40.95 141l s ILE 58 CO -0.00 0.00 0.55 0.42 0.24 0.00 0.00 174.94 176.14 141l s THR 59 N -3.32 3.73 0.21 8.37 -4.23 -1.26 -4.81 115.64 114.34 141l s THR 59 Ca 0.34 -0.89 -0.10 0.00 -1.18 0.00 0.00 61.69 59.86 141l s THR 59 Cb 0.07 -3.31 0.15 0.00 1.34 0.00 0.00 72.50 70.76 141l s THR 59 CO 0.15 -0.14 1.85 0.50 -0.54 0.00 0.00 174.62 176.44 141l h LYS 60 N 0.70 0.85 -0.92 3.99 3.64 -1.99 0.79 116.57 123.64 141l h LYS 60 Ca -0.44 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 141l h LYS 60 Cb 1.26 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 141l h LYS 60 CO 0.52 0.57 0.52 -0.44 -2.27 0.00 0.00 179.45 178.35 141l h ASP 61 N 0.88 1.13 -0.36 4.20 3.32 -1.99 -0.38 116.42 123.23 141l h ASP 61 Ca 0.29 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 141l h ASP 61 Cb 0.02 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 141l h ASP 61 CO -0.11 0.89 0.04 -0.33 -1.72 0.00 0.00 179.24 178.01 141l h GLU 62 N 1.28 0.60 -0.40 3.56 5.08 -1.74 -0.64 114.58 122.32 141l h GLU 62 Ca 0.33 -0.17 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 141l h GLU 62 Cb -0.01 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 141l h GLU 62 CO -0.06 0.69 0.10 0.00 -1.00 0.00 0.00 179.01 178.74 141l h ALA 63 N 0.89 0.45 -0.23 3.43 0.00 -0.00 -1.37 119.26 122.43 141l h ALA 63 Ca 0.11 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 141l h ALA 63 Cb 0.39 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 141l h ALA 63 CO 0.01 -0.30 -0.13 0.93 0.00 0.00 0.00 179.25 179.76 141l h GLU 64 N 0.23 0.38 -0.32 0.00 5.08 -0.96 -1.26 114.58 117.72 141l h GLU 64 Ca 0.19 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 141l h GLU 64 Cb 0.22 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 141l h GLU 64 CO -0.24 0.51 -0.38 -0.22 -1.00 0.00 0.00 179.01 177.67 141l h LYS 65 N 0.35 0.83 -0.65 2.33 3.64 -0.25 -0.99 116.57 121.82 141l h LYS 65 Ca 0.07 -0.46 -0.01 0.00 -1.27 0.00 0.00 60.65 58.98 141l h LYS 65 Cb 0.44 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 141l h LYS 65 CO 0.03 1.10 0.36 -0.07 -2.27 0.00 0.00 179.45 178.60 141l h LEU 66 N 0.61 0.79 -0.29 5.20 3.38 -0.87 -2.22 115.31 121.90 141l h LEU 66 Ca 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 141l h LEU 66 Cb 0.97 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 141l h LEU 66 CO 0.09 0.63 0.16 0.15 0.09 0.00 0.00 178.44 179.57 141l h PHE 67 N 0.90 0.40 -0.70 1.13 3.57 -0.96 -1.26 116.94 120.02 141l h PHE 67 Ca 0.23 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.78 141l h PHE 67 Cb 0.01 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 141l h PHE 67 CO 0.01 0.33 0.41 -0.91 -2.23 0.00 0.00 178.31 175.92 141l h ASN 68 N 0.36 0.63 -0.61 0.41 2.35 -0.86 0.14 115.58 118.01 141l h ASN 68 Ca 0.10 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 141l h ASN 68 Cb 0.06 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 141l h ASN 68 CO -0.02 0.41 0.15 1.56 -1.65 0.00 0.00 177.43 177.89 141l h GLN 69 N 0.77 1.01 -0.58 0.81 4.20 -1.11 -2.39 115.11 117.82 141l h GLN 69 Ca 0.31 -0.23 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 141l h GLN 69 Cb 0.15 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 141l h GLN 69 CO -0.16 0.90 -0.05 -0.44 -0.67 0.00 0.00 178.83 178.41 141l h ASP 70 N 0.96 1.04 -0.14 1.46 3.32 0.02 -0.05 116.42 123.04 141l h ASP 70 Ca 0.20 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 141l h ASP 70 Cb 0.35 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 141l h ASP 70 CO 0.00 1.12 -0.06 0.58 -1.72 0.00 0.00 179.24 179.16 141l h VAL 71 N 0.95 1.31 -0.55 -1.35 2.07 -0.98 -1.08 116.25 116.62 141l h VAL 71 Ca 0.16 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.67 141l h VAL 71 Cb 0.61 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 141l h VAL 71 CO 0.04 0.31 0.27 -0.78 0.02 0.00 0.00 177.57 177.43 141l h ASP 72 N -0.04 0.37 -0.81 0.57 3.58 -1.31 -0.17 116.42 118.62 141l h ASP 72 Ca 0.03 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 141l h ASP 72 Cb 0.51 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.50 141l h ASP 72 CO 0.02 0.25 0.44 0.00 -2.88 0.00 0.00 179.24 177.06 141l h ALA 73 N 1.31 1.04 0.28 -0.78 0.00 -0.85 -0.51 119.26 119.75 141l h ALA 73 Ca 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 141l h ALA 73 Cb 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.66 141l h ALA 73 CO -0.19 0.55 -0.13 0.00 0.00 0.00 0.00 179.25 179.48 141l h ALA 74 N 1.23 -0.38 -0.40 0.00 0.00 -0.29 0.46 119.26 119.88 141l h ALA 74 Ca 0.28 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.18 141l h ALA 74 Cb 0.04 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 141l h ALA 74 CO -0.04 -0.70 -0.05 0.28 0.00 0.00 0.00 179.25 178.74 141l h VAL 75 N -0.41 0.65 -0.57 0.00 2.07 -0.78 -0.54 116.25 116.66 141l h VAL 75 Ca -0.04 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 141l h VAL 75 Cb 0.31 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 141l h VAL 75 CO 0.06 0.01 0.01 0.03 0.02 0.00 0.00 177.57 177.71 141l h ARG 76 N 0.05 0.97 -0.70 1.57 3.08 -0.85 -1.11 114.38 117.40 141l h ARG 76 Ca 0.20 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 59.97 141l h ARG 76 Cb 0.29 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 141l h ARG 76 CO -0.37 0.95 0.46 0.78 -1.07 0.00 0.00 179.97 180.72 141l h GLY 77 N 1.00 0.99 0.96 0.04 0.00 0.47 -1.25 103.07 105.28 141l h GLY 77 Ca 0.17 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 141l h GLY 77 CO 0.02 0.36 0.22 -2.22 0.00 0.00 0.00 176.54 174.93 141l h ILE 78 N 0.95 1.17 0.00 2.60 2.04 -0.53 -2.52 117.51 121.22 141l h ILE 78 Ca 0.26 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 141l h ILE 78 Cb -0.11 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 141l h ILE 78 CO -0.06 0.18 -0.09 -0.07 0.00 0.00 0.00 178.15 178.12 141l h LEU 79 N 0.55 0.00 0.00 1.44 3.38 -0.62 -1.89 115.31 118.17 141l h LEU 79 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 141l h LEU 79 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 141l h LEU 79 CO -0.02 0.09 -0.71 0.54 0.09 0.00 0.00 178.44 178.42 141l n ARG 80 N -3.30 0.11 -2.91 1.13 1.74 -0.53 -4.78 116.66 108.12 141l n ARG 80 Ca -0.01 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 141l n ARG 80 Cb 0.29 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 141l n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 141l s ASN 81 N -3.40 6.89 0.40 0.55 3.84 -0.72 -4.94 114.94 117.56 141l s ASN 81 Ca 0.08 1.09 0.09 0.00 0.21 0.00 0.00 52.86 54.33 141l s ASN 81 Cb 0.16 -2.44 0.88 0.00 -0.55 0.00 0.00 41.25 39.30 141l s ASN 81 CO 0.75 -0.42 2.00 0.00 -2.79 0.00 0.00 177.10 176.64 141l h ALA 82 N 7.46 1.81 0.05 1.71 0.00 -1.90 0.32 119.26 128.71 141l h ALA 82 Ca -0.27 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.32 141l h ALA 82 Cb 1.12 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 141l h ALA 82 CO 0.84 0.10 -1.57 0.87 0.00 0.00 0.00 179.25 179.49 141l h LYS 83 N 0.57 0.10 0.17 0.00 1.57 -1.93 -3.39 116.57 113.67 141l h LYS 83 Ca 0.24 -0.18 -0.29 0.00 -1.87 0.00 0.00 60.65 58.56 141l h LYS 83 Cb 0.24 0.07 0.03 0.00 0.08 0.00 0.00 32.23 32.65 141l h LYS 83 CO -0.07 0.84 -1.23 -0.07 -0.57 0.00 0.00 179.45 178.35 141l h LEU 84 N 0.03 0.78 -0.62 2.94 3.38 -1.65 -3.38 115.31 116.79 141l h LEU 84 Ca -0.24 -0.88 0.12 0.00 0.09 0.00 0.00 57.88 56.97 141l h LEU 84 Cb 1.98 -0.25 -0.12 0.00 0.09 0.00 0.00 40.66 42.36 141l h LEU 84 CO 0.11 1.60 -0.18 0.50 0.09 0.00 0.00 178.44 180.56 141l h LYS 85 N 0.09 -0.03 -0.58 1.13 3.64 -0.31 -1.11 116.57 119.40 141l h LYS 85 Ca -0.20 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 141l h LYS 85 Cb 1.94 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.74 141l h LYS 85 CO 0.23 -0.02 0.26 -1.35 -2.27 0.00 0.00 179.45 176.30 141l h PRO 86 N -0.03 0.83 0.50 1.90 0.11 -1.78 0.06 132.00 133.59 141l h PRO 86 Ca 0.29 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 141l h PRO 86 Cb 0.47 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.44 141l h PRO 86 CO -0.65 0.67 -0.24 0.28 -0.21 0.00 0.00 178.00 177.85 141l h VAL 87 N 0.83 0.40 -0.66 3.15 2.07 -1.41 -1.77 116.25 118.86 141l h VAL 87 Ca 0.20 -0.40 0.14 0.00 0.82 0.00 0.00 66.70 67.46 141l h VAL 87 Cb 0.13 0.55 -0.10 0.00 -1.52 0.00 0.00 31.29 30.34 141l h VAL 87 CO -0.02 0.06 0.10 0.22 0.02 0.00 0.00 177.57 177.94 141l h TYR 88 N -0.94 0.13 -0.25 1.57 5.03 -1.20 0.58 116.97 121.89 141l h TYR 88 Ca -0.07 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 141l h TYR 88 Cb 0.60 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.91 141l h TYR 88 CO 0.01 -0.11 0.13 -0.44 -1.32 0.00 0.00 178.16 176.43 141l h ASP 89 N 0.21 0.30 1.43 -2.11 3.32 -0.86 -1.69 116.42 117.01 141l h ASP 89 Ca 0.36 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.39 141l h ASP 89 Cb 0.59 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.06 141l h ASP 89 CO -0.50 0.25 0.00 -1.54 -1.72 0.00 0.00 179.24 175.73 141l n SER 90 N -4.47 0.79 -4.93 6.45 3.41 0.15 -4.90 113.62 110.14 141l n SER 90 Ca 0.01 0.58 -0.26 0.00 -0.26 0.00 0.00 58.87 58.94 141l n SER 90 Cb 0.10 -0.79 0.03 0.00 -0.26 0.00 0.00 64.21 63.29 141l n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 141l s LEU 91 N -4.49 3.31 0.77 1.04 1.43 -0.64 -5.07 118.68 115.03 141l s LEU 91 Ca 0.10 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.71 141l s LEU 91 Cb 0.12 -3.45 0.06 0.00 0.03 0.00 0.00 46.19 42.96 141l s LEU 91 CO 0.59 -1.00 1.14 1.51 0.23 0.00 0.00 176.35 178.81 141l s ASP 92 N -4.29 4.73 0.24 2.29 1.47 -1.26 -4.81 116.67 115.03 141l s ASP 92 Ca 0.53 0.80 -0.06 0.00 1.18 0.00 0.00 52.55 55.00 141l s ASP 92 Cb -0.10 -1.38 0.30 0.00 -0.34 0.00 0.00 42.92 41.40 141l s ASP 92 CO 0.44 -1.75 1.86 0.00 0.68 0.00 0.00 175.17 176.40 141l h ALA 93 N -0.91 1.15 -0.34 2.11 0.00 -1.97 -1.62 119.26 117.68 141l h ALA 93 Ca -0.46 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 141l h ALA 93 Cb 1.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 141l h ALA 93 CO 0.65 0.32 -0.16 0.28 0.00 0.00 0.00 179.25 180.34 141l h VAL 94 N 1.00 1.29 -0.49 0.00 2.07 -1.94 -3.00 116.25 115.18 141l h VAL 94 Ca 0.36 -1.27 -0.07 0.00 0.82 0.00 0.00 66.70 66.54 141l h VAL 94 Cb 0.10 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 141l h VAL 94 CO -0.15 0.41 0.03 0.03 0.02 0.00 0.00 177.57 177.91 141l h ARG 95 N 0.48 0.79 -0.93 1.57 3.08 -1.81 -1.25 114.38 116.31 141l h ARG 95 Ca 0.08 -0.20 0.14 0.00 0.07 0.00 0.00 59.98 60.06 141l h ARG 95 Cb 0.69 -0.10 -0.09 0.00 0.08 0.00 0.00 29.97 30.55 141l h ARG 95 CO 0.05 0.78 0.54 0.00 -1.07 0.00 0.00 179.97 180.27 141l h ARG 96 N 0.74 0.78 -0.54 0.04 3.08 -1.25 0.23 114.38 117.45 141l h ARG 96 Ca 0.15 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 141l h ARG 96 Cb 0.42 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 141l h ARG 96 CO 0.01 0.52 0.17 0.00 -1.07 0.00 0.00 179.97 179.61 141l h ALA 97 N 1.55 1.28 -0.68 0.04 0.00 -1.11 0.36 119.26 120.71 141l h ALA 97 Ca 0.49 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 141l h ALA 97 Cb 0.61 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 141l h ALA 97 CO -0.32 0.51 0.21 0.00 0.00 0.00 0.00 179.25 179.66 141l h ALA 98 N 1.40 1.09 -0.39 0.00 0.00 0.11 -1.80 119.26 119.67 141l h ALA 98 Ca 0.18 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 141l h ALA 98 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 141l h ALA 98 CO -0.01 0.62 -0.23 1.25 0.00 0.00 0.00 179.25 180.88 141l h LEU 99 N 1.00 0.88 -0.88 0.00 5.85 -0.25 -2.50 115.31 119.43 141l h LEU 99 Ca 0.22 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.55 141l h LEU 99 Cb 0.28 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 141l h LEU 99 CO -0.01 1.11 0.57 0.40 -0.34 0.00 0.00 178.44 180.17 141l h ILE 100 N 0.66 1.17 0.00 4.05 2.04 -0.74 -0.97 117.51 123.73 141l h ILE 100 Ca 0.08 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.57 141l h ILE 100 Cb 0.79 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 141l h ILE 100 CO 0.06 0.21 -0.06 -1.13 0.00 0.00 0.00 178.15 177.23 141l h ASN 101 N 1.13 -0.18 -0.92 1.72 -0.73 -1.21 0.30 115.58 115.69 141l h ASN 101 Ca 0.34 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.54 141l h ASN 101 Cb -0.05 0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.58 141l h ASN 101 CO -0.10 -0.10 0.59 0.24 -0.37 0.00 0.00 177.43 177.70 141l h MET 102 N -0.11 1.23 -0.65 6.67 2.86 -1.11 -1.03 114.93 122.78 141l h MET 102 Ca 0.03 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 141l h MET 102 Cb 0.15 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 141l h MET 102 CO -0.07 0.83 0.09 0.28 1.06 0.00 0.00 176.91 179.10 141l h VAL 103 N 1.26 1.26 -0.39 -2.22 2.07 -0.28 0.39 116.25 118.34 141l h VAL 103 Ca 0.34 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.82 141l h VAL 103 Cb -0.11 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 141l h VAL 103 CO -0.07 0.39 0.21 0.15 0.02 0.00 0.00 177.57 178.28 141l h PHE 104 N 1.01 0.39 -0.03 1.57 3.04 0.21 0.28 116.94 123.42 141l h PHE 104 Ca 0.20 0.01 -0.18 0.00 3.98 0.00 0.00 57.97 61.98 141l h PHE 104 Cb 0.47 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 141l h PHE 104 CO 0.03 0.22 -0.78 0.37 -2.02 0.00 0.00 178.31 176.13 141l h GLN 105 N 0.43 0.26 0.00 1.11 4.15 -1.01 -3.39 115.11 116.66 141l h GLN 105 Ca 0.16 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.34 141l h GLN 105 Cb 0.04 0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.79 141l h GLN 105 CO -0.09 0.92 0.00 0.00 -1.93 0.00 0.00 178.83 177.72 141l n MET 106 N -3.75 -0.49 0.00 1.69 0.00 0.11 -5.10 117.12 109.57 141l n MET 106 Ca -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 57.70 57.29 141l n MET 106 Cb 0.74 -0.87 0.00 0.00 0.00 0.00 0.00 33.22 33.09 141l n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 141l n GLY 107 N 0.04 -2.24 0.35 3.17 0.00 0.97 -3.90 105.19 103.58 141l n GLY 107 Ca 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 46.02 44.67 141l n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 141l h GLU 108 N 0.00 0.94 -0.23 1.61 4.81 -1.92 -1.86 114.58 117.93 141l h GLU 108 Ca 0.00 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 141l h GLU 108 Cb 0.00 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 141l h GLU 108 CO 0.00 0.62 -0.04 1.79 -0.73 0.00 0.00 179.01 180.65 141l h THR 109 N 0.97 1.28 0.18 0.32 1.35 -1.97 -0.42 112.91 114.62 141l h THR 109 Ca 0.31 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 141l h THR 109 Cb 0.05 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 67.93 141l h THR 109 CO -0.09 0.32 -0.18 1.23 -0.25 0.00 0.00 175.52 176.54 141l h GLY 110 N 0.18 -0.39 1.13 5.82 0.00 -1.50 -2.39 103.07 105.92 141l h GLY 110 Ca 0.06 0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.51 141l h GLY 110 CO 0.02 -0.18 0.02 -2.08 0.00 0.00 0.00 176.54 174.32 141l h VAL 111 N -0.40 1.26 -0.19 4.60 2.07 -1.36 -1.70 116.25 120.54 141l h VAL 111 Ca 0.00 -1.11 0.05 0.00 0.82 0.00 0.00 66.70 66.46 141l h VAL 111 Cb 0.38 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 141l h VAL 111 CO -0.05 0.41 0.26 0.00 0.02 0.00 0.00 177.57 178.21 141l h ALA 112 N 1.05 1.73 0.00 1.67 0.00 -0.88 0.15 119.26 122.98 141l h ALA 112 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 141l h ALA 112 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 141l h ALA 112 CO 0.03 -0.36 0.00 0.78 0.00 0.00 0.00 179.25 179.70 141l h GLY 113 N 0.00 0.00 -4.58 0.00 0.00 -0.78 -3.28 103.07 94.42 141l h GLY 113 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.96 141l h GLY 113 CO -0.00 0.00 0.81 0.69 0.00 0.00 0.00 176.54 178.04 141l n PHE 114 N -2.66 1.33 -0.15 5.60 3.01 0.51 -4.68 117.46 120.42 141l n PHE 114 Ca 0.01 -2.05 -0.08 0.00 1.01 0.00 0.00 57.45 56.33 141l n PHE 114 Cb 0.25 -1.63 -0.03 0.00 -0.01 0.00 0.00 39.48 38.06 141l n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 141l h THR 115 N 2.19 0.15 -0.63 4.37 2.02 -1.79 0.44 112.91 119.65 141l h THR 115 Ca 0.43 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.60 141l h THR 115 Cb 0.86 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 141l h THR 115 CO 0.86 0.00 0.37 0.78 0.37 0.00 0.00 175.52 177.90 141l h ASN 116 N -0.27 0.77 -0.00 4.18 2.35 -1.94 -1.43 115.58 119.25 141l h ASN 116 Ca 0.17 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 141l h ASN 116 Cb 0.57 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 141l h ASN 116 CO -0.60 0.62 -0.17 0.28 -1.65 0.00 0.00 177.43 175.91 141l h SER 117 N 0.86 0.32 -0.57 5.81 0.02 -1.71 -2.14 113.55 116.13 141l h SER 117 Ca 0.23 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 141l h SER 117 Cb -0.00 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 141l h SER 117 CO -0.04 0.51 0.14 -0.07 -1.14 0.00 0.00 176.83 176.22 141l h LEU 118 N 0.30 0.86 -0.73 5.07 3.38 -0.43 0.15 115.31 123.92 141l h LEU 118 Ca 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 141l h LEU 118 Cb 0.48 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 141l h LEU 118 CO 0.03 0.87 0.39 -0.09 0.09 0.00 0.00 178.44 179.74 141l h ARG 119 N 0.81 1.01 -0.67 1.13 2.43 -0.94 -0.29 114.38 117.87 141l h ARG 119 Ca 0.18 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 141l h ARG 119 Cb 0.35 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 141l h ARG 119 CO 0.00 0.76 0.15 0.52 -1.51 0.00 0.00 179.97 179.90 141l h MET 120 N 1.00 1.06 -0.16 0.20 2.86 -0.91 -0.55 114.93 118.44 141l h MET 120 Ca 0.25 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 141l h MET 120 Cb 0.04 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 141l h MET 120 CO -0.04 0.94 0.08 0.00 1.06 0.00 0.00 176.91 178.95 141l h ALA 121 N 1.15 0.19 -0.82 6.32 0.00 0.24 0.09 119.26 126.44 141l h ALA 121 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.18 141l h ALA 121 Cb 0.36 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 141l h ALA 121 CO 0.00 -0.35 0.53 1.96 0.00 0.00 0.00 179.25 181.39 141l h GLN 122 N 0.17 0.91 -0.02 0.00 4.20 -0.45 0.68 115.11 120.61 141l h GLN 122 Ca 0.06 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.72 141l h GLN 122 Cb 0.01 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.59 141l h GLN 122 CO -0.04 0.60 0.00 1.04 -0.67 0.00 0.00 178.83 179.76 141l n GLN 123 N -4.47 1.19 -3.21 1.46 6.02 -0.27 -4.90 117.38 113.20 141l n GLN 123 Ca 0.12 -0.28 -0.21 0.00 -0.01 0.00 0.00 57.00 56.61 141l n GLN 123 Cb 0.17 -1.44 0.05 0.00 1.02 0.00 0.00 30.24 30.04 141l n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 141l n LYS 124 N -0.61 -5.80 -3.26 -1.09 5.02 0.23 -4.93 118.16 107.73 141l n LYS 124 Ca 0.20 0.79 -0.45 0.00 -2.02 0.00 0.00 58.31 56.84 141l n LYS 124 Cb 0.17 -5.53 0.00 0.00 -0.02 0.00 0.00 35.03 29.65 141l n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 141l n ARG 125 N -4.14 3.74 0.05 1.97 1.74 -0.62 -4.91 116.66 114.49 141l n ARG 125 Ca -0.05 -4.46 -0.11 0.00 -0.77 0.00 0.00 57.85 52.46 141l n ARG 125 Cb 0.58 -2.55 -0.04 0.00 -1.02 0.00 0.00 32.46 29.43 141l n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 141l h TRP 126 N 6.40 -0.54 -0.08 -1.55 -0.00 -1.90 -1.12 115.95 117.16 141l h TRP 126 Ca 0.19 0.02 -0.10 0.00 -0.00 0.00 0.00 58.89 58.99 141l h TRP 126 Cb 0.82 0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 30.21 141l h TRP 126 CO 0.81 -0.29 -0.42 -0.44 -0.00 0.00 0.00 178.44 178.10 141l h ASP 127 N -0.32 0.18 -0.18 -3.49 5.19 -1.91 -1.73 116.42 114.16 141l h ASP 127 Ca 0.06 -0.08 -0.21 0.00 -0.62 0.00 0.00 57.03 56.19 141l h ASP 127 Cb 0.41 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 39.87 141l h ASP 127 CO -0.20 0.59 -0.71 -0.33 -3.12 0.00 0.00 179.24 175.47 141l h GLU 128 N 0.15 0.81 -0.97 3.56 5.08 -1.94 -2.69 114.58 118.57 141l h GLU 128 Ca 0.01 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 141l h GLU 128 Cb 0.82 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 141l h GLU 128 CO 0.06 1.24 0.61 1.98 -1.00 0.00 0.00 179.01 181.90 141l h MET 129 N 0.55 1.29 -0.49 2.33 4.05 -1.01 -1.60 114.93 120.05 141l h MET 129 Ca -0.04 -0.10 -0.05 0.00 -0.28 0.00 0.00 59.70 59.23 141l h MET 129 Cb 1.34 -0.28 -0.02 0.00 -0.80 0.00 0.00 31.60 31.83 141l h MET 129 CO 0.15 0.88 0.09 0.00 0.23 0.00 0.00 176.91 178.26 141l h ALA 130 N 1.34 1.24 -0.33 0.39 0.00 -1.17 0.18 119.26 120.90 141l h ALA 130 Ca 0.35 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 141l h ALA 130 Cb -0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 141l h ALA 130 CO -0.07 0.52 -0.10 0.28 0.00 0.00 0.00 179.25 179.88 141l h VAL 131 N 0.73 1.28 -0.50 0.00 2.07 -1.08 -2.92 116.25 115.83 141l h VAL 131 Ca 0.16 -1.16 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 141l h VAL 131 Cb 0.32 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 141l h VAL 131 CO 0.00 0.38 0.02 -1.13 0.02 0.00 0.00 177.57 176.86 141l h ASN 132 N 0.42 0.79 0.37 0.57 -0.73 -0.82 -2.33 115.58 113.85 141l h ASN 132 Ca 0.08 -0.19 -0.04 0.00 1.87 0.00 0.00 56.30 58.02 141l h ASN 132 Cb 0.60 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.97 141l h ASN 132 CO 0.04 0.84 -0.21 -0.07 -0.37 0.00 0.00 177.43 177.65 141l h LEU 133 N 0.77 0.00 -1.18 0.34 3.38 -0.57 -2.73 115.31 115.33 141l h LEU 133 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 141l h LEU 133 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 141l h LEU 133 CO 0.02 0.21 -0.15 0.00 0.09 0.00 0.00 178.44 178.61 141l h ALA 134 N 1.79 1.02 -0.77 1.53 0.00 -1.23 -3.34 119.26 118.26 141l h ALA 134 Ca -0.00 -0.14 -0.74 0.00 0.00 0.00 0.00 54.91 54.03 141l h ALA 134 Cb 0.45 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 141l h ALA 134 CO 0.03 0.19 2.23 1.63 0.00 0.00 0.00 179.25 183.33 141l n LYS 135 N -3.30 3.39 -3.63 0.00 5.02 -1.03 -4.67 118.16 113.95 141l n LYS 135 Ca 0.00 -3.33 -0.12 0.00 -2.02 0.00 0.00 58.31 52.85 141l n LYS 135 Cb 0.40 -3.05 -0.05 0.00 -0.02 0.00 0.00 35.03 32.30 141l n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 141l s SER 136 N 1.80 -0.29 0.24 4.39 1.04 -1.25 -5.02 113.70 114.61 141l s SER 136 Ca 0.42 -0.13 -0.06 0.00 0.48 0.00 0.00 55.95 56.66 141l s SER 136 Cb 0.09 0.46 0.24 0.00 0.10 0.00 0.00 66.02 66.92 141l s SER 136 CO -0.01 -0.78 1.87 -0.09 0.98 0.00 0.00 173.24 175.21 141l h ARG 137 N 2.62 1.24 -0.58 4.02 2.43 -1.93 -2.11 114.38 120.08 141l h ARG 137 Ca -0.33 -0.13 0.12 0.00 -0.81 0.00 0.00 59.98 58.83 141l h ARG 137 Cb 1.24 -0.25 -0.10 0.00 -0.42 0.00 0.00 29.97 30.43 141l h ARG 137 CO 0.45 0.89 -0.06 2.35 -1.51 0.00 0.00 179.97 182.09 141l h TRP 138 N 1.25 -0.15 -0.37 2.20 7.01 -1.94 0.40 115.95 124.35 141l h TRP 138 Ca 0.32 0.05 -0.17 0.00 2.11 0.00 0.00 58.89 61.20 141l h TRP 138 Cb -0.00 0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.21 141l h TRP 138 CO 0.01 -0.20 -0.41 -0.92 -2.79 0.00 0.00 178.44 174.13 141l h TYR 139 N 0.06 1.13 -0.11 2.65 5.03 -1.73 -2.55 116.97 121.45 141l h TYR 139 Ca 0.29 -0.35 -0.08 0.00 2.58 0.00 0.00 58.73 61.17 141l h TYR 139 Cb 0.46 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 141l h TYR 139 CO -0.41 1.18 -0.30 -0.91 -1.32 0.00 0.00 178.16 176.41 141l h ASN 140 N 0.75 0.21 0.44 -2.11 4.21 -0.56 -2.38 115.58 116.14 141l h ASN 140 Ca 0.05 -0.07 -0.31 0.00 1.21 0.00 0.00 56.30 57.19 141l h ASN 140 Cb 1.01 -0.06 0.01 0.00 -1.12 0.00 0.00 38.32 38.16 141l h ASN 140 CO 0.10 0.51 -1.46 1.56 -1.29 0.00 0.00 177.43 176.85 141l h GLN 141 N 0.19 0.33 -2.06 0.81 1.08 -0.23 -3.40 115.11 111.83 141l h GLN 141 Ca 0.03 -0.57 -0.56 0.00 -1.45 0.00 0.00 58.65 56.10 141l h GLN 141 Cb 0.63 0.21 -0.40 0.00 -0.05 0.00 0.00 27.48 27.87 141l h GLN 141 CO 0.05 1.24 -0.97 0.25 -0.95 0.00 0.00 178.83 178.45 141l n THR 142 N -3.55 0.37 -0.34 -0.54 -2.24 -0.96 -4.99 114.28 102.04 141l n THR 142 Ca -0.15 -4.49 0.01 0.00 -2.27 0.00 0.00 64.05 57.14 141l n THR 142 Cb 1.06 -1.71 0.14 0.00 -2.10 0.00 0.00 70.33 67.72 141l n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 141l h PRO 143 N 3.83 1.07 -0.52 -0.78 0.13 -1.63 -0.12 132.00 133.98 141l h PRO 143 Ca 0.11 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 65.08 141l h PRO 143 Cb 0.82 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 141l h PRO 143 CO 0.58 0.71 -0.06 -0.91 -0.23 0.00 0.00 178.00 178.10 141l h ASN 144 N 1.11 0.91 -0.05 1.44 2.35 -1.94 0.27 115.58 119.67 141l h ASN 144 Ca 0.39 -0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 141l h ASN 144 Cb 0.10 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.23 141l h ASN 144 CO -0.15 1.00 -0.11 -0.09 -1.65 0.00 0.00 177.43 176.43 141l h ARG 145 N 0.84 0.16 -0.83 0.81 2.43 -1.92 -2.26 114.38 113.61 141l h ARG 145 Ca 0.15 -0.10 0.14 0.00 -0.81 0.00 0.00 59.98 59.35 141l h ARG 145 Cb 0.58 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.05 141l h ARG 145 CO 0.03 0.70 0.42 0.00 -1.51 0.00 0.00 179.97 179.61 141l h ALA 146 N 0.46 1.23 -0.88 2.80 0.00 -0.91 -0.34 119.26 121.63 141l h ALA 146 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.06 141l h ALA 146 Cb 0.70 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 141l h ALA 146 CO 0.02 -0.10 0.55 0.87 0.00 0.00 0.00 179.25 180.59 141l h LYS 147 N 0.60 0.96 -0.33 0.00 1.57 -0.66 0.12 116.57 118.82 141l h LYS 147 Ca 0.45 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 141l h LYS 147 Cb 0.63 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 141l h LYS 147 CO -0.36 0.63 0.18 0.00 -0.57 0.00 0.00 179.45 179.33 141l h ARG 148 N 0.99 0.46 -0.56 3.15 3.08 -0.50 -0.73 114.38 120.27 141l h ARG 148 Ca 0.39 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.34 141l h ARG 148 Cb 0.19 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 141l h ARG 148 CO -0.18 0.39 0.20 0.82 -1.07 0.00 0.00 179.97 180.14 141l h ILE 149 N 0.41 1.23 -0.59 2.04 1.08 -0.62 -1.65 117.51 119.40 141l h ILE 149 Ca 0.12 -0.74 0.02 0.00 -0.39 0.00 0.00 64.86 63.86 141l h ILE 149 Cb 0.07 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 141l h ILE 149 CO -0.02 0.28 0.38 0.40 -0.69 0.00 0.00 178.15 178.50 141l h ILE 150 N 0.77 1.11 -0.26 -0.67 2.04 -0.62 -0.37 117.51 119.50 141l h ILE 150 Ca 0.18 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 141l h ILE 150 Cb 0.24 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 141l h ILE 150 CO -0.01 0.14 -0.18 0.74 0.00 0.00 0.00 178.15 178.84 141l h THR 151 N 0.75 1.24 -0.44 -0.27 2.02 -0.96 0.21 112.91 115.47 141l h THR 151 Ca 0.23 -1.11 -0.05 0.00 0.77 0.00 0.00 66.41 66.24 141l h THR 151 Cb -0.03 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 141l h THR 151 CO -0.08 0.36 0.08 0.74 0.37 0.00 0.00 175.52 176.99 141l h THR 152 N 0.43 1.24 -0.38 3.16 2.02 -0.56 0.10 112.91 118.92 141l h THR 152 Ca 0.07 -0.88 -0.13 0.00 0.77 0.00 0.00 66.41 66.24 141l h THR 152 Cb 0.56 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 141l h THR 152 CO 0.04 0.31 -0.29 -0.26 0.37 0.00 0.00 175.52 175.68 141l h PHE 153 N 0.58 0.96 -0.33 3.16 0.04 -0.65 0.33 116.94 121.03 141l h PHE 153 Ca 0.13 -0.25 -0.04 0.00 2.80 0.00 0.00 57.97 60.62 141l h PHE 153 Cb 0.37 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 141l h PHE 153 CO 0.03 1.01 0.06 -0.09 -0.60 0.00 0.00 178.31 178.72 141l h ARG 154 N 0.70 0.54 0.00 1.51 2.43 -0.69 -3.34 114.38 115.53 141l h ARG 154 Ca 0.08 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 141l h ARG 154 Cb 0.84 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 141l h ARG 154 CO 0.07 0.61 -1.64 0.25 -1.51 0.00 0.00 179.97 177.76 141l n THR 155 N -4.61 0.20 -1.46 0.20 -2.24 0.32 -4.79 114.28 101.89 141l n THR 155 Ca -0.02 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.12 141l n THR 155 Cb 0.21 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.30 141l n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 141l n GLY 156 N 1.24 1.37 3.46 3.38 0.00 0.11 -5.00 105.19 109.76 141l n GLY 156 Ca -0.02 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 141l n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 141l s THR 157 N -2.54 0.75 -0.29 2.61 -4.23 -1.26 -4.76 115.64 105.94 141l s THR 157 Ca 0.00 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.64 141l s THR 157 Cb 0.00 -2.54 0.78 0.00 1.34 0.00 0.00 72.50 72.08 141l s THR 157 CO 0.00 0.00 1.71 0.79 -0.54 0.00 0.00 174.62 176.58 141l n TRP 158 N -0.76 2.07 -0.25 3.99 7.02 -1.26 -4.61 117.44 123.65 141l n TRP 158 Ca -0.03 -0.77 0.15 0.00 -1.02 0.00 0.00 57.50 55.83 141l n TRP 158 Cb 0.66 -0.53 0.44 0.00 -2.42 0.00 0.00 31.31 29.46 141l n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 141l h ASP 159 N 3.63 0.53 0.74 -0.99 3.32 -1.96 -0.22 116.42 121.47 141l h ASP 159 Ca 0.04 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.13 141l h ASP 159 Cb 1.99 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.48 141l h ASP 159 CO 0.52 0.25 0.00 0.00 -1.72 0.00 0.00 179.24 178.28 141l h ALA 160 N 1.61 1.00 -0.31 3.45 0.00 -1.89 -2.59 119.26 120.54 141l h ALA 160 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 141l h ALA 160 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 141l h ALA 160 CO -0.19 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.72 141l n TYR 161 N -2.57 0.41 0.73 0.00 4.02 -0.11 -4.99 117.16 114.65 141l n TYR 161 Ca 0.01 -0.35 0.09 0.00 -0.01 0.00 0.00 57.90 57.64 141l n TYR 161 Cb 0.23 -0.01 0.07 0.00 -0.02 0.00 0.00 39.34 39.61 141l n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48