#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1li6 s ASN 2 N 0.00 0.81 0.29 6.12 2.20 -1.26 -5.04 114.94 118.06 1li6 s ASN 2 Ca 0.00 -1.45 0.04 0.00 -0.94 0.00 0.00 52.86 50.52 1li6 s ASN 2 Cb 0.00 0.59 0.67 0.00 -2.00 0.00 0.00 41.25 40.51 1li6 s ASN 2 CO 0.00 -1.17 1.80 -0.29 -2.94 0.00 0.00 177.10 174.50 1li6 h ILE 3 N 2.21 0.79 -0.16 0.54 6.09 -1.98 -0.39 117.51 124.60 1li6 h ILE 3 Ca -0.28 -0.29 -0.07 0.00 -1.37 0.00 0.00 64.86 62.84 1li6 h ILE 3 Cb 1.24 -0.14 -0.00 0.00 0.47 0.00 0.00 36.82 38.39 1li6 h ILE 3 CO 0.40 0.16 -0.17 -0.26 -3.07 0.00 0.00 178.15 175.21 1li6 h PHE 4 N 0.85 0.49 -0.56 2.19 -1.00 -1.98 0.19 116.94 117.12 1li6 h PHE 4 Ca 0.55 -0.15 -0.08 0.00 2.81 0.00 0.00 57.97 61.10 1li6 h PHE 4 Cb 0.74 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.18 1li6 h PHE 4 CO -0.01 0.78 0.03 0.93 -1.61 0.00 0.00 178.31 178.44 1li6 h GLU 5 N 0.05 0.98 0.18 1.51 5.08 -1.91 0.23 114.58 120.70 1li6 h GLU 5 Ca 0.03 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1li6 h GLU 5 Cb 0.70 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1li6 h GLU 5 CO 0.04 0.97 -0.09 1.98 -1.00 0.00 0.00 179.01 180.91 1li6 h MET 6 N 0.87 -0.23 0.00 2.33 4.05 -1.00 -1.61 114.93 119.32 1li6 h MET 6 Ca 0.16 0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.52 1li6 h MET 6 Cb 0.50 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 1li6 h MET 6 CO 0.02 -0.08 -0.37 -0.07 0.23 0.00 0.00 176.91 176.64 1li6 h LEU 7 N -0.34 0.00 -1.45 3.39 3.38 -0.53 -2.12 115.31 117.64 1li6 h LEU 7 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1li6 h LEU 7 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1li6 h LEU 7 CO 0.04 0.37 -0.28 -0.09 0.09 0.00 0.00 178.44 178.58 1li6 h ARG 8 N 0.00 0.00 -0.18 1.13 9.65 -0.12 0.49 114.38 125.35 1li6 h ARG 8 Ca -0.00 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.73 1li6 h ARG 8 Cb 0.75 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 1li6 h ARG 8 CO 0.05 0.28 -0.47 0.82 2.80 0.00 0.00 179.97 183.44 1li6 h ILE 9 N 0.00 1.33 0.00 1.20 2.04 -0.72 -2.22 117.51 119.14 1li6 h ILE 9 Ca -0.00 -1.72 -0.15 0.00 1.00 0.00 0.00 64.86 63.99 1li6 h ILE 9 Cb 0.54 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 1li6 h ILE 9 CO 0.04 0.53 -0.72 0.44 0.00 0.00 0.00 178.15 178.44 1li6 h ASP 10 N 0.31 0.00 0.00 1.72 3.32 -0.80 -3.34 116.42 117.64 1li6 h ASP 10 Ca -0.01 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1li6 h ASP 10 Cb 1.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1li6 h ASP 10 CO 0.10 0.72 -2.02 -0.62 -1.72 0.00 0.00 179.24 175.70 1li6 n GLU 11 N -3.58 0.67 -0.16 3.56 -0.58 0.11 -5.08 120.64 115.57 1li6 n GLU 11 Ca -0.00 -0.15 0.02 0.00 -0.42 0.00 0.00 57.16 56.61 1li6 n GLU 11 Cb 0.72 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 30.10 1li6 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1li6 n GLY 12 N 1.43 -1.77 2.90 0.62 0.00 -0.83 -4.45 105.19 103.08 1li6 n GLY 12 Ca -0.09 -1.29 -0.25 0.00 0.00 0.00 0.00 46.02 44.38 1li6 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1li6 s LEU 13 N 0.00 1.15 -0.04 0.99 2.96 -1.26 -4.32 118.68 118.15 1li6 s LEU 13 Ca 0.00 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1li6 s LEU 13 Cb 0.00 -0.73 0.03 0.00 0.50 0.00 0.00 46.19 45.99 1li6 s LEU 13 CO 0.00 -0.11 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.78 1li6 s ARG 14 N 1.54 0.51 0.00 1.98 0.52 -0.59 -5.00 118.95 117.90 1li6 s ARG 14 Ca 0.01 0.04 0.28 0.00 -0.52 0.00 0.00 55.73 55.54 1li6 s ARG 14 Cb -0.13 -0.70 1.04 0.00 0.52 0.00 0.00 34.95 35.68 1li6 s ARG 14 CO -0.05 -0.17 1.74 1.28 0.02 0.00 0.00 175.30 178.12 1li6 n LEU 15 N 4.39 1.19 -4.35 2.53 4.77 -1.26 0.63 117.00 124.90 1li6 n LEU 15 Ca -0.20 -0.36 -0.27 0.00 -0.03 0.00 0.00 56.01 55.14 1li6 n LEU 15 Cb 0.50 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.42 1li6 n LEU 15 CO 0.19 0.21 -0.55 -0.75 -1.33 0.00 0.00 177.39 175.16 1li6 s LYS 16 N -2.17 1.35 0.26 3.23 2.47 -1.26 -1.18 119.74 122.43 1li6 s LYS 16 Ca 0.34 -1.25 -0.30 0.00 -1.56 0.00 0.00 55.97 53.20 1li6 s LYS 16 Cb 0.21 -1.73 -0.14 0.00 -1.46 0.00 0.00 37.83 34.70 1li6 s LYS 16 CO 0.40 0.41 1.21 -0.89 0.16 0.00 0.00 175.35 176.64 1li6 n ILE 17 N 1.10 1.43 -4.23 5.43 5.41 -0.81 -4.73 119.36 122.96 1li6 n ILE 17 Ca -0.18 -0.36 -0.14 0.00 1.00 0.00 0.00 62.75 63.07 1li6 n ILE 17 Cb 0.53 -1.19 -0.10 0.00 -0.71 0.00 0.00 39.64 38.17 1li6 n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1li6 s TYR 18 N -0.56 1.28 -0.19 1.39 -0.85 0.29 -4.96 117.35 113.76 1li6 s TYR 18 Ca 0.64 -1.38 -0.10 0.00 -0.52 0.00 0.00 57.07 55.72 1li6 s TYR 18 Cb -0.70 -0.63 -0.05 0.00 0.38 0.00 0.00 41.96 40.96 1li6 s TYR 18 CO 0.55 -0.61 0.13 0.15 -1.52 0.00 0.00 175.55 174.25 1li6 s LYS 19 N -4.06 4.09 0.06 -3.49 1.02 -1.26 0.11 119.74 116.20 1li6 s LYS 19 Ca 0.39 -0.21 -0.01 0.00 0.02 0.00 0.00 55.97 56.15 1li6 s LYS 19 Cb 0.07 -3.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.01 1li6 s LYS 19 CO 0.14 0.36 0.08 -0.40 -0.92 0.00 0.00 175.35 174.60 1li6 n ASP 20 N 3.33 -0.07 0.32 2.83 5.75 0.11 -4.79 116.55 124.02 1li6 n ASP 20 Ca -0.17 -0.99 0.21 0.00 -0.01 0.00 0.00 54.79 53.83 1li6 n ASP 20 Cb 0.52 -0.06 1.07 0.00 -1.03 0.00 0.00 41.12 41.62 1li6 n ASP 20 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1li6 h THR 21 N -1.08 0.08 -0.02 2.12 1.35 -1.99 -0.22 112.91 113.14 1li6 h THR 21 Ca -0.03 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1li6 h THR 21 Cb 0.07 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1li6 h THR 21 CO 0.02 0.01 -0.08 -0.62 -0.25 0.00 0.00 175.52 174.60 1li6 n GLU 22 N -3.18 1.97 -0.45 4.72 -0.58 -1.26 -4.96 120.64 116.90 1li6 n GLU 22 Ca -0.02 -1.53 0.00 0.00 -0.42 0.00 0.00 57.16 55.19 1li6 n GLU 22 Cb 0.13 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1li6 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1li6 n GLY 23 N 1.32 0.76 3.90 0.62 0.00 -0.09 -5.07 105.19 106.63 1li6 n GLY 23 Ca 0.14 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1li6 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1li6 s TYR 24 N -2.00 3.49 0.11 1.61 4.12 -1.26 -4.60 117.35 118.81 1li6 s TYR 24 Ca 0.00 0.47 -0.31 0.00 0.02 0.00 0.00 57.07 57.25 1li6 s TYR 24 Cb 0.00 -1.94 -0.09 0.00 -1.52 0.00 0.00 41.96 38.41 1li6 s TYR 24 CO 0.00 0.48 1.68 0.71 0.02 0.00 0.00 175.55 178.44 1li6 s TYR 25 N -1.61 2.50 0.21 2.71 4.12 -1.16 0.04 117.35 124.16 1li6 s TYR 25 Ca 0.39 0.30 -0.05 0.00 0.02 0.00 0.00 57.07 57.73 1li6 s TYR 25 Cb -0.12 -4.01 -0.03 0.00 -1.52 0.00 0.00 41.96 36.28 1li6 s TYR 25 CO 0.25 -4.03 0.25 0.99 0.02 0.00 0.00 175.55 173.03 1li6 s THR 26 N 2.31 0.01 0.25 -0.71 2.01 0.30 0.55 115.64 120.37 1li6 s THR 26 Ca 0.75 -1.78 -0.15 0.00 0.31 0.00 0.00 61.69 60.82 1li6 s THR 26 Cb -0.42 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 69.73 1li6 s THR 26 CO 0.33 -0.03 0.54 -0.51 -0.69 0.00 0.00 174.62 174.26 1li6 s ILE 27 N -4.10 0.00 0.00 1.82 2.07 -0.21 -0.54 121.20 120.23 1li6 s ILE 27 Ca 0.32 -1.28 0.00 0.00 -1.41 0.00 0.00 60.65 58.28 1li6 s ILE 27 Cb 0.04 -2.12 0.00 0.00 0.13 0.00 0.00 42.46 40.51 1li6 s ILE 27 CO 0.10 -0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 1li6 n GLY 28 N -0.40 3.38 3.06 1.50 0.00 0.20 -1.00 105.19 111.93 1li6 n GLY 28 Ca -0.03 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1li6 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1li6 n ILE 29 N 0.00 4.92 -2.41 -0.61 5.41 -1.26 -1.54 119.36 123.87 1li6 n ILE 29 Ca 0.00 -5.74 -0.14 0.00 1.00 0.00 0.00 62.75 57.87 1li6 n ILE 29 Cb 0.00 -2.21 0.00 0.00 -0.71 0.00 0.00 39.64 36.72 1li6 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1li6 n GLY 30 N 1.65 -0.17 3.51 7.39 0.00 -1.23 -4.90 105.19 111.45 1li6 n GLY 30 Ca 0.26 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1li6 n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1li6 s HIS 31 N -2.77 2.99 0.22 1.61 5.04 -0.17 -4.88 115.29 117.33 1li6 s HIS 31 Ca 0.06 -0.09 -0.30 0.00 -1.54 0.00 0.00 55.06 53.19 1li6 s HIS 31 Cb -0.03 -3.62 -0.09 0.00 0.04 0.00 0.00 32.58 28.88 1li6 s HIS 31 CO 0.08 -1.03 1.34 -1.17 -2.34 0.00 0.00 174.74 171.62 1li6 s LEU 32 N 3.13 4.41 -0.24 8.88 2.96 -1.26 -1.05 118.68 135.52 1li6 s LEU 32 Ca 0.25 2.50 -0.04 0.00 -0.22 0.00 0.00 54.13 56.61 1li6 s LEU 32 Cb -0.14 -3.62 -0.18 0.00 0.50 0.00 0.00 46.19 42.75 1li6 s LEU 32 CO 0.19 -0.57 -0.13 0.18 -1.32 0.00 0.00 176.35 174.69 1li6 n LEU 33 N 2.38 2.64 -3.53 -0.68 4.77 0.19 -4.92 117.00 117.85 1li6 n LEU 33 Ca 0.06 0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 1li6 n LEU 33 Cb 0.42 -0.93 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 1li6 n LEU 33 CO 0.59 0.81 0.65 0.28 -1.33 0.00 0.00 177.39 178.38 1li6 s THR 34 N -2.51 0.00 -0.63 -5.08 -1.32 -1.17 -4.94 115.64 99.98 1li6 s THR 34 Ca -0.33 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.38 1li6 s THR 34 Cb 0.10 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.07 1li6 s THR 34 CO 0.60 0.00 1.21 0.29 -2.21 0.00 0.00 174.62 174.51 1li6 n LYS 35 N 0.39 0.29 -2.16 7.08 5.02 -1.26 -2.99 118.16 124.52 1li6 n LYS 35 Ca -0.12 0.05 -0.36 0.00 -2.02 0.00 0.00 58.31 55.86 1li6 n LYS 35 Cb 0.59 -1.65 0.01 0.00 -0.02 0.00 0.00 35.03 33.97 1li6 n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1li6 s SER 36 N -4.09 5.54 0.00 4.39 0.15 -1.26 -4.90 113.70 113.52 1li6 s SER 36 Ca 0.05 2.28 0.20 0.00 0.70 0.00 0.00 55.95 59.18 1li6 s SER 36 Cb 0.14 -2.59 0.87 0.00 -1.71 0.00 0.00 66.02 62.73 1li6 s SER 36 CO 0.75 -1.35 1.61 -0.81 1.20 0.00 0.00 173.24 174.64 1li6 n PRO 37 N -1.35 1.51 -3.05 5.44 -0.04 -1.26 -4.67 135.00 131.58 1li6 n PRO 37 Ca 0.12 -0.77 -0.42 0.00 -0.04 0.00 0.00 63.50 62.40 1li6 n PRO 37 Cb 0.50 -1.37 -0.06 0.00 -0.04 0.00 0.00 33.50 32.54 1li6 n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1li6 s SER 38 N -1.59 6.53 0.53 3.54 0.15 -1.26 -4.93 113.70 116.67 1li6 s SER 38 Ca 0.31 0.43 0.21 0.00 0.70 0.00 0.00 55.95 57.60 1li6 s SER 38 Cb 0.16 -2.36 1.41 0.00 -1.71 0.00 0.00 66.02 63.52 1li6 s SER 38 CO 0.25 -0.57 2.14 0.25 1.20 0.00 0.00 173.24 176.51 1li6 h LEU 39 N 9.36 0.00 -0.22 3.45 5.85 -1.99 -1.94 115.31 129.82 1li6 h LEU 39 Ca -0.26 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.34 1li6 h LEU 39 Cb 1.11 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1li6 h LEU 39 CO 0.84 0.06 -0.33 0.78 -0.34 0.00 0.00 178.44 179.45 1li6 h ASN 40 N 0.00 0.67 -0.98 1.25 2.35 -1.97 0.17 115.58 117.07 1li6 h ASN 40 Ca -0.00 -0.52 0.16 0.00 -0.55 0.00 0.00 56.30 55.39 1li6 h ASN 40 Cb 0.12 -0.19 -0.10 0.00 0.05 0.00 0.00 38.32 38.20 1li6 h ASN 40 CO 0.01 1.06 0.59 0.00 -1.65 0.00 0.00 177.43 177.44 1li6 h ALA 41 N 0.63 1.54 -0.30 -0.83 0.00 -1.76 0.73 119.26 119.27 1li6 h ALA 41 Ca 0.02 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1li6 h ALA 41 Cb 0.92 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1li6 h ALA 41 CO 0.08 0.05 -0.45 0.00 0.00 0.00 0.00 179.25 178.92 1li6 h ALA 42 N 1.59 0.63 -0.31 0.00 0.00 -0.97 -1.57 119.26 118.63 1li6 h ALA 42 Ca 0.53 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1li6 h ALA 42 Cb 0.70 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1li6 h ALA 42 CO -0.34 0.67 -0.35 0.87 0.00 0.00 0.00 179.25 180.11 1li6 h LYS 43 N 0.62 0.70 -0.41 0.00 1.57 0.73 0.76 116.57 120.53 1li6 h LYS 43 Ca 0.04 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 1li6 h LYS 43 Cb 1.02 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1li6 h LYS 43 CO 0.10 0.94 0.13 1.03 -0.57 0.00 0.00 179.45 181.09 1li6 h SER 44 N 0.58 0.59 -0.71 0.86 0.87 -0.82 -1.71 113.55 113.21 1li6 h SER 44 Ca 0.06 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.37 1li6 h SER 44 Cb 0.87 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 1li6 h SER 44 CO 0.08 0.63 0.25 -0.33 -0.53 0.00 0.00 176.83 176.92 1li6 h GLU 45 N 0.52 1.09 -0.36 2.24 4.39 -1.02 -1.52 114.58 119.93 1li6 h GLU 45 Ca 0.13 -0.22 0.04 0.00 0.34 0.00 0.00 59.36 59.65 1li6 h GLU 45 Cb 0.25 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1li6 h GLU 45 CO -0.01 0.93 0.12 1.25 -1.16 0.00 0.00 179.01 180.14 1li6 h LEU 46 N 1.04 0.11 -0.30 1.33 5.85 -0.43 -0.48 115.31 122.44 1li6 h LEU 46 Ca 0.23 0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.01 1li6 h LEU 46 Cb 0.27 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1li6 h LEU 46 CO -0.01 0.10 0.16 0.44 -0.34 0.00 0.00 178.44 178.79 1li6 h ASP 47 N 0.26 0.25 -0.32 1.25 3.32 -1.11 0.19 116.42 120.27 1li6 h ASP 47 Ca 0.16 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.26 1li6 h ASP 47 Cb 0.15 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1li6 h ASP 47 CO -0.17 0.19 0.09 0.50 -1.72 0.00 0.00 179.24 178.13 1li6 h LYS 48 N 0.34 0.21 -0.67 3.56 3.64 -1.11 0.73 116.57 123.27 1li6 h LYS 48 Ca 0.12 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1li6 h LYS 48 Cb 0.01 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1li6 h LYS 48 CO -0.07 0.14 0.33 0.00 -2.27 0.00 0.00 179.45 177.59 1li6 h ALA 49 N 1.22 0.87 0.00 5.00 0.00 -0.25 -3.27 119.26 122.83 1li6 h ALA 49 Ca 0.15 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 1li6 h ALA 49 Cb 0.13 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1li6 h ALA 49 CO -0.17 0.42 -1.55 0.82 0.00 0.00 0.00 179.25 178.77 1li6 h ILE 50 N 0.93 1.04 -0.24 0.00 1.08 -0.83 -3.49 117.51 116.00 1li6 h ILE 50 Ca 0.23 -2.86 0.00 0.00 -0.39 0.00 0.00 64.86 61.84 1li6 h ILE 50 Cb 0.10 2.52 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 1li6 h ILE 50 CO -0.03 0.60 0.00 0.61 -0.69 0.00 0.00 178.15 178.64 1li6 n GLY 51 N 1.51 1.06 3.62 5.37 0.00 0.25 -5.05 105.19 111.95 1li6 n GLY 51 Ca -0.13 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 1li6 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1li6 s ARG 52 N -2.65 0.60 -0.63 1.61 1.70 -0.89 -5.04 118.95 113.64 1li6 s ARG 52 Ca 0.00 -0.29 -0.28 0.00 -0.47 0.00 0.00 55.73 54.69 1li6 s ARG 52 Cb 0.00 0.23 0.03 0.00 -0.57 0.00 0.00 34.95 34.63 1li6 s ARG 52 CO 0.00 -0.27 1.29 -0.80 -1.08 0.00 0.00 175.30 174.44 1li6 s ASN 53 N -2.68 6.25 -0.05 -2.89 -0.87 -1.26 -4.22 114.94 109.22 1li6 s ASN 53 Ca 0.11 -0.04 0.14 0.00 -1.57 0.00 0.00 52.86 51.50 1li6 s ASN 53 Cb 0.01 -2.55 -0.22 0.00 -0.02 0.00 0.00 41.25 38.47 1li6 s ASN 53 CO -0.04 -1.68 0.60 0.00 -2.57 0.00 0.00 177.10 173.41 1li6 n ASN 55 N -2.95 -3.89 -0.20 0.00 5.15 -1.26 -2.47 115.26 109.64 1li6 n ASN 55 Ca -0.18 -0.59 -0.03 0.00 -0.60 0.00 0.00 54.58 53.19 1li6 n ASN 55 Cb 1.02 -5.08 -0.01 0.00 -0.53 0.00 0.00 39.78 35.17 1li6 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1li6 n GLY 56 N -1.51 0.41 2.90 8.20 0.00 -1.26 -4.98 105.19 108.96 1li6 n GLY 56 Ca -0.16 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1li6 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1li6 s VAL 57 N -1.55 0.12 0.38 1.61 1.01 -1.03 -1.93 120.40 119.01 1li6 s VAL 57 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1li6 s VAL 57 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 1li6 s VAL 57 CO 0.00 -0.03 0.10 0.27 0.00 0.00 0.00 175.10 175.44 1li6 s ILE 58 N -0.19 0.79 0.44 2.22 -4.36 -0.32 -4.74 121.20 115.02 1li6 s ILE 58 Ca -0.01 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.43 1li6 s ILE 58 Cb -0.02 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.23 1li6 s ILE 58 CO -0.00 0.00 0.61 0.42 0.24 0.00 0.00 174.94 176.21 1li6 s THR 59 N -3.24 3.24 0.15 8.37 -4.23 -1.26 -4.81 115.64 113.85 1li6 s THR 59 Ca 0.27 -0.87 -0.16 0.00 -1.18 0.00 0.00 61.69 59.75 1li6 s THR 59 Cb 0.04 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1li6 s THR 59 CO 0.14 -0.06 1.79 0.50 -0.54 0.00 0.00 174.62 176.44 1li6 h LYS 60 N 0.53 0.52 -0.66 3.99 3.64 -1.98 0.77 116.57 123.37 1li6 h LYS 60 Ca -0.42 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 1li6 h LYS 60 Cb 1.28 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1li6 h LYS 60 CO 0.49 0.38 0.31 -0.44 -2.27 0.00 0.00 179.45 177.93 1li6 h ASP 61 N 0.52 0.85 -0.49 4.20 3.32 -1.98 0.18 116.42 123.02 1li6 h ASP 61 Ca 0.14 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1li6 h ASP 61 Cb -0.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1li6 h ASP 61 CO -0.03 0.73 0.05 -0.33 -1.72 0.00 0.00 179.24 177.94 1li6 h GLU 62 N 0.94 0.84 -0.59 3.56 5.08 -1.75 -0.82 114.58 121.84 1li6 h GLU 62 Ca 0.23 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1li6 h GLU 62 Cb 0.11 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1li6 h GLU 62 CO -0.03 0.86 0.12 0.00 -1.00 0.00 0.00 179.01 178.96 1li6 h ALA 63 N 0.95 0.78 -0.02 3.43 0.00 -0.12 -1.85 119.26 122.42 1li6 h ALA 63 Ca 0.15 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1li6 h ALA 63 Cb 0.45 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1li6 h ALA 63 CO 0.02 0.50 -0.35 0.93 0.00 0.00 0.00 179.25 180.34 1li6 h GLU 64 N 0.86 0.05 -0.23 0.00 5.08 -0.48 -0.30 114.58 119.55 1li6 h GLU 64 Ca 0.18 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1li6 h GLU 64 Cb 0.38 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1li6 h GLU 64 CO 0.01 0.40 -0.18 -0.22 -1.00 0.00 0.00 179.01 178.02 1li6 h LYS 65 N 0.04 0.52 -0.71 2.33 3.64 -0.77 -1.19 116.57 120.43 1li6 h LYS 65 Ca 0.00 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1li6 h LYS 65 Cb 0.65 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 1li6 h LYS 65 CO 0.05 0.83 0.47 -0.07 -2.27 0.00 0.00 179.45 178.46 1li6 h LEU 66 N 0.22 0.80 -0.49 5.20 3.38 -0.94 -2.05 115.31 121.42 1li6 h LEU 66 Ca 0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1li6 h LEU 66 Cb 0.71 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1li6 h LEU 66 CO 0.05 0.58 0.17 0.15 0.09 0.00 0.00 178.44 179.48 1li6 h PHE 67 N 0.95 0.77 -0.46 1.13 3.57 -0.82 -0.06 116.94 122.01 1li6 h PHE 67 Ca 0.26 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.73 1li6 h PHE 67 Cb -0.08 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.40 1li6 h PHE 67 CO -0.00 0.66 0.24 -0.91 -2.23 0.00 0.00 178.31 176.07 1li6 h ASN 68 N 0.65 0.36 0.02 0.41 2.35 -0.76 0.15 115.58 118.77 1li6 h ASN 68 Ca 0.16 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1li6 h ASN 68 Cb 0.24 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1li6 h ASN 68 CO -0.01 0.26 -0.26 1.56 -1.65 0.00 0.00 177.43 177.33 1li6 h GLN 69 N 0.48 0.38 -0.05 0.81 4.20 -1.11 -1.97 115.11 117.84 1li6 h GLN 69 Ca 0.20 -0.14 -0.19 0.00 0.06 0.00 0.00 58.65 58.58 1li6 h GLN 69 Cb 0.08 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1li6 h GLN 69 CO -0.12 0.61 -0.76 -0.44 -0.67 0.00 0.00 178.83 177.45 1li6 h ASP 70 N 0.34 0.42 -0.11 1.46 3.32 0.08 -1.42 116.42 120.51 1li6 h ASP 70 Ca 0.05 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 1li6 h ASP 70 Cb 0.63 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1li6 h ASP 70 CO 0.05 1.03 -0.01 0.58 -1.72 0.00 0.00 179.24 179.17 1li6 h VAL 71 N 0.23 1.27 -0.63 -1.35 2.07 -0.58 -2.15 116.25 115.10 1li6 h VAL 71 Ca -0.03 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 66.70 1li6 h VAL 71 Cb 1.34 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 32.68 1li6 h VAL 71 CO 0.13 0.25 0.31 -0.78 0.02 0.00 0.00 177.57 177.49 1li6 h ASP 72 N -0.10 0.41 -0.74 0.57 3.58 -1.34 -1.25 116.42 117.55 1li6 h ASP 72 Ca 0.03 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.54 1li6 h ASP 72 Cb 0.39 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 1li6 h ASP 72 CO 0.01 0.25 0.49 0.00 -2.88 0.00 0.00 179.24 177.11 1li6 h ALA 73 N 1.37 0.94 -0.33 -0.78 0.00 -1.13 -0.71 119.26 118.62 1li6 h ALA 73 Ca 0.30 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1li6 h ALA 73 Cb 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1li6 h ALA 73 CO -0.23 0.35 0.20 0.00 0.00 0.00 0.00 179.25 179.57 1li6 h ALA 74 N 1.27 0.41 -0.34 0.00 0.00 -0.79 0.40 119.26 120.21 1li6 h ALA 74 Ca 0.27 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1li6 h ALA 74 Cb -0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1li6 h ALA 74 CO -0.06 -0.16 0.21 0.28 0.00 0.00 0.00 179.25 179.52 1li6 h VAL 75 N 0.40 1.06 -0.49 0.00 2.07 -0.87 0.24 116.25 118.66 1li6 h VAL 75 Ca 0.13 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1li6 h VAL 75 Cb -0.01 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1li6 h VAL 75 CO -0.05 0.08 0.10 0.03 0.02 0.00 0.00 177.57 177.74 1li6 h ARG 76 N 0.43 0.75 -0.56 1.57 3.08 -0.88 0.21 114.38 118.98 1li6 h ARG 76 Ca 0.13 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 1li6 h ARG 76 Cb -0.02 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1li6 h ARG 76 CO -0.05 0.69 0.10 0.78 -1.07 0.00 0.00 179.97 180.43 1li6 h GLY 77 N 0.93 0.96 0.96 0.04 0.00 0.59 -1.99 103.07 104.55 1li6 h GLY 77 Ca 0.16 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1li6 h GLY 77 CO 0.00 0.55 0.20 -2.22 0.00 0.00 0.00 176.54 175.07 1li6 h ILE 78 N 0.85 1.17 0.00 2.60 2.04 0.38 -2.62 117.51 121.93 1li6 h ILE 78 Ca 0.18 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1li6 h ILE 78 Cb 0.36 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1li6 h ILE 78 CO 0.01 0.19 -0.20 -0.07 0.00 0.00 0.00 178.15 178.07 1li6 h LEU 79 N 0.53 0.00 0.00 1.44 3.38 0.05 -1.60 115.31 119.10 1li6 h LEU 79 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1li6 h LEU 79 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1li6 h LEU 79 CO -0.02 0.20 -0.50 0.54 0.09 0.00 0.00 178.44 178.75 1li6 n ARG 80 N -3.64 0.16 -2.95 1.13 1.74 -0.82 -4.74 116.66 107.55 1li6 n ARG 80 Ca -0.01 0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.71 1li6 n ARG 80 Cb 0.33 -1.60 -0.04 0.00 -1.02 0.00 0.00 32.46 30.12 1li6 n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1li6 s ASN 81 N -3.67 6.89 0.38 0.55 3.84 -0.61 -4.94 114.94 117.38 1li6 s ASN 81 Ca 0.09 1.09 0.06 0.00 0.21 0.00 0.00 52.86 54.32 1li6 s ASN 81 Cb 0.15 -2.43 0.74 0.00 -0.55 0.00 0.00 41.25 39.17 1li6 s ASN 81 CO 0.69 -0.35 1.96 0.00 -2.79 0.00 0.00 177.10 176.60 1li6 h ALA 82 N 7.34 1.53 0.05 1.71 0.00 -1.87 0.23 119.26 128.25 1li6 h ALA 82 Ca -0.30 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.23 1li6 h ALA 82 Cb 1.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1li6 h ALA 82 CO 0.82 0.35 -1.16 0.87 0.00 0.00 0.00 179.25 180.13 1li6 h LYS 83 N 0.47 0.11 0.13 0.00 6.56 -1.93 -3.39 116.57 118.52 1li6 h LYS 83 Ca 0.11 -0.19 -0.21 0.00 -1.06 0.00 0.00 60.65 59.30 1li6 h LYS 83 Cb 0.18 0.07 0.01 0.00 -0.57 0.00 0.00 32.23 31.92 1li6 h LYS 83 CO -0.00 1.06 -1.01 -0.07 -2.06 0.00 0.00 179.45 177.36 1li6 h LEU 84 N 0.03 0.42 -0.59 2.94 3.38 -1.71 -3.38 115.31 116.40 1li6 h LEU 84 Ca -0.08 -0.91 0.11 0.00 0.09 0.00 0.00 57.88 57.09 1li6 h LEU 84 Cb 1.87 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 42.37 1li6 h LEU 84 CO 0.15 1.46 -0.27 0.50 0.09 0.00 0.00 178.44 180.38 1li6 h LYS 85 N -0.37 -0.11 -0.50 1.13 3.64 -0.52 -1.02 116.57 118.82 1li6 h LYS 85 Ca -0.20 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1li6 h LYS 85 Cb 1.67 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.49 1li6 h LYS 85 CO 0.11 -0.08 0.31 -1.00 -2.27 0.00 0.00 179.45 176.53 1li6 h PRO 86 N -0.12 0.66 0.10 1.90 0.14 -1.76 -0.16 132.00 132.75 1li6 h PRO 86 Ca 0.25 -0.05 -0.00 0.00 0.14 0.00 0.00 66.00 66.34 1li6 h PRO 86 Cb 0.53 -0.15 0.00 0.00 0.14 0.00 0.00 31.00 31.52 1li6 h PRO 86 CO -0.66 0.45 -0.05 0.28 0.14 0.00 0.00 178.00 178.17 1li6 h VAL 87 N 0.68 1.14 -0.53 1.56 2.07 -1.41 -2.68 116.25 117.08 1li6 h VAL 87 Ca 0.18 -1.06 0.11 0.00 0.82 0.00 0.00 66.70 66.74 1li6 h VAL 87 Cb -0.05 1.80 -0.10 0.00 -1.52 0.00 0.00 31.29 31.42 1li6 h VAL 87 CO -0.04 0.25 -0.14 0.22 0.02 0.00 0.00 177.57 177.89 1li6 h TYR 88 N -0.64 -0.29 0.00 1.57 3.20 -1.07 0.17 116.97 119.91 1li6 h TYR 88 Ca -0.01 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1li6 h TYR 88 Cb 0.51 0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.99 1li6 h TYR 88 CO 0.08 -0.23 0.00 -0.44 -1.64 0.00 0.00 178.16 175.93 1li6 h ASP 89 N -0.00 0.00 0.76 -2.11 3.32 -1.04 -1.58 116.42 115.77 1li6 h ASP 89 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1li6 h ASP 89 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1li6 h ASP 89 CO -0.55 0.00 -0.09 -1.54 -1.72 0.00 0.00 179.24 175.35 1li6 n SER 90 N -2.57 0.14 -4.95 6.45 3.41 0.03 -4.89 113.62 111.24 1li6 n SER 90 Ca 0.01 0.12 -0.24 0.00 -0.26 0.00 0.00 58.87 58.51 1li6 n SER 90 Cb 0.24 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1li6 n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1li6 s LEU 91 N -2.85 3.76 0.98 1.04 1.43 -0.60 -5.08 118.68 117.37 1li6 s LEU 91 Ca 0.18 0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 53.52 1li6 s LEU 91 Cb 0.19 -3.27 0.19 0.00 0.03 0.00 0.00 46.19 43.33 1li6 s LEU 91 CO 0.53 -0.56 1.23 1.51 0.23 0.00 0.00 176.35 179.29 1li6 s ASP 92 N -4.15 2.92 0.27 2.29 1.47 -1.26 -4.81 116.67 113.40 1li6 s ASP 92 Ca 0.46 0.52 -0.03 0.00 1.18 0.00 0.00 52.55 54.67 1li6 s ASP 92 Cb -0.10 -0.75 0.36 0.00 -0.34 0.00 0.00 42.92 42.09 1li6 s ASP 92 CO 0.38 -2.87 1.87 0.00 0.68 0.00 0.00 175.17 175.22 1li6 h ALA 93 N -1.73 1.24 -0.11 2.11 0.00 -1.98 -1.86 119.26 116.94 1li6 h ALA 93 Ca -0.46 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 1li6 h ALA 93 Cb 1.27 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1li6 h ALA 93 CO 0.45 0.58 -0.06 0.28 0.00 0.00 0.00 179.25 180.49 1li6 h VAL 94 N 1.01 1.33 0.00 0.00 2.07 -1.93 -3.01 116.25 115.70 1li6 h VAL 94 Ca 0.24 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1li6 h VAL 94 Cb 0.12 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1li6 h VAL 94 CO -0.03 0.32 -0.03 0.03 0.02 0.00 0.00 177.57 177.87 1li6 h ARG 95 N -0.12 0.00 -0.00 1.57 3.08 -1.80 0.53 114.38 117.64 1li6 h ARG 95 Ca 0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1li6 h ARG 95 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1li6 h ARG 95 CO 0.02 0.03 -0.33 0.00 -1.07 0.00 0.00 179.97 178.62 1li6 h ARG 96 N 0.00 0.00 -0.28 0.04 3.08 -1.23 -1.04 114.38 114.95 1li6 h ARG 96 Ca -0.00 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1li6 h ARG 96 Cb 0.06 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1li6 h ARG 96 CO 0.00 0.34 -0.36 0.00 -1.07 0.00 0.00 179.97 178.88 1li6 h ALA 98 N 1.08 1.31 -0.31 0.00 0.00 -0.94 -1.70 119.26 118.69 1li6 h ALA 98 Ca 0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1li6 h ALA 98 Cb 0.86 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1li6 h ALA 98 CO 0.07 0.49 -0.03 0.00 0.00 0.00 0.00 179.25 179.79 1li6 h ALA 99 N 1.43 0.42 -0.81 0.00 0.00 -0.52 -2.00 119.26 117.77 1li6 h ALA 99 Ca 0.16 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1li6 h ALA 99 Cb 0.26 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1li6 h ALA 99 CO -0.00 0.20 0.51 0.82 0.00 0.00 0.00 179.25 180.78 1li6 h ILE 100 N 0.35 1.09 -0.39 0.00 2.04 -0.81 -1.90 117.51 117.88 1li6 h ILE 100 Ca 0.08 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1li6 h ILE 100 Cb 0.49 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1li6 h ILE 100 CO 0.02 0.18 0.23 -1.13 0.00 0.00 0.00 178.15 177.45 1li6 h ASN 101 N 0.98 0.47 -0.75 1.72 -0.73 -1.12 0.56 115.58 116.70 1li6 h ASN 101 Ca 0.34 -0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.42 1li6 h ASN 101 Cb 0.07 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 38.50 1li6 h ASN 101 CO -0.14 0.39 0.37 -0.61 -0.37 0.00 0.00 177.43 177.08 1li6 h GLN 102 N 0.51 1.08 -0.39 6.67 4.15 -1.15 -1.25 115.11 124.73 1li6 h GLN 102 Ca 0.14 -0.16 -0.11 0.00 0.77 0.00 0.00 58.65 59.29 1li6 h GLN 102 Cb 0.01 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 1li6 h GLN 102 CO -0.03 0.84 -0.21 0.28 -1.93 0.00 0.00 178.83 177.79 1li6 h VAL 103 N 1.06 1.27 -0.58 2.39 2.07 -0.58 0.21 116.25 122.09 1li6 h VAL 103 Ca 0.26 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 1li6 h VAL 103 Cb 0.11 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1li6 h VAL 103 CO -0.03 0.44 0.13 0.15 0.02 0.00 0.00 177.57 178.28 1li6 h PHE 104 N 0.66 0.93 0.19 1.57 3.57 0.45 0.15 116.94 124.46 1li6 h PHE 104 Ca 0.10 -0.09 -0.32 0.00 3.53 0.00 0.00 57.97 61.18 1li6 h PHE 104 Cb 0.70 -0.27 0.03 0.00 2.79 0.00 0.00 35.95 39.21 1li6 h PHE 104 CO 0.04 0.77 -1.37 0.37 -2.23 0.00 0.00 178.31 175.89 1li6 h GLN 105 N 0.86 0.55 -0.00 1.11 4.15 -0.96 -3.39 115.11 117.44 1li6 h GLN 105 Ca 0.19 -0.86 0.00 0.00 0.77 0.00 0.00 58.65 58.75 1li6 h GLN 105 Cb 0.32 0.30 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1li6 h GLN 105 CO 0.00 1.40 -0.21 0.00 -1.93 0.00 0.00 178.83 178.10 1li6 n MET 106 N -3.73 3.20 0.00 1.69 0.00 0.73 -5.10 117.12 113.90 1li6 n MET 106 Ca -0.15 -0.32 0.00 0.00 0.00 0.00 0.00 57.70 57.23 1li6 n MET 106 Cb 1.05 -0.92 0.00 0.00 0.00 0.00 0.00 33.22 33.35 1li6 n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1li6 n GLY 107 N 0.91 -1.79 0.25 3.17 0.00 0.52 -3.72 105.19 104.53 1li6 n GLY 107 Ca 0.02 -1.37 0.08 0.00 0.00 0.00 0.00 46.02 44.75 1li6 n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1li6 h GLU 108 N 0.00 0.00 0.48 1.61 4.81 -1.92 -2.00 114.58 117.55 1li6 h GLU 108 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1li6 h GLU 108 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1li6 h GLU 108 CO 0.00 0.08 -0.23 1.79 -0.73 0.00 0.00 179.01 179.92 1li6 h THR 109 N 0.00 0.00 -0.23 0.32 1.35 -1.95 -0.69 112.91 111.70 1li6 h THR 109 Ca -0.00 -0.08 0.06 0.00 -0.55 0.00 0.00 66.41 65.84 1li6 h THR 109 Cb 0.14 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.49 1li6 h THR 109 CO 0.01 0.00 -0.22 1.23 -0.25 0.00 0.00 175.52 176.29 1li6 h GLY 110 N -0.72 -0.13 0.89 5.82 0.00 -1.51 -2.75 103.07 104.68 1li6 h GLY 110 Ca -0.07 0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.56 1li6 h GLY 110 CO 0.11 -0.19 0.32 -2.08 0.00 0.00 0.00 176.54 174.70 1li6 h VAL 111 N -0.23 1.06 -0.79 4.60 2.07 -1.45 -2.19 116.25 119.32 1li6 h VAL 111 Ca 0.13 -0.22 0.23 0.00 0.82 0.00 0.00 66.70 67.66 1li6 h VAL 111 Cb 0.44 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1li6 h VAL 111 CO -0.37 0.12 0.67 0.00 0.02 0.00 0.00 177.57 178.00 1li6 h ALA 112 N 1.23 2.65 -0.00 1.67 0.00 -0.81 -1.57 119.26 122.43 1li6 h ALA 112 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1li6 h ALA 112 Cb 0.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1li6 h ALA 112 CO -0.09 -1.07 -0.02 0.41 0.00 0.00 0.00 179.25 178.48 1li6 n GLY 113 N -1.64 -1.03 1.65 0.00 0.00 -0.82 -3.92 105.19 99.42 1li6 n GLY 113 Ca 0.16 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1li6 n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1li6 n PHE 114 N -1.03 1.30 -0.36 1.61 3.01 -0.59 -4.71 117.46 116.69 1li6 n PHE 114 Ca 0.18 -1.40 0.05 0.00 1.01 0.00 0.00 57.45 57.29 1li6 n PHE 114 Cb 0.20 -0.69 0.12 0.00 -0.01 0.00 0.00 39.48 39.10 1li6 n PHE 114 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1li6 n THR 115 N 0.12 -0.44 -0.14 4.37 -1.04 -1.25 0.09 114.28 115.99 1li6 n THR 115 Ca 0.25 2.30 -0.10 0.00 -2.04 0.00 0.00 64.05 64.46 1li6 n THR 115 Cb 0.80 -3.15 -0.01 0.00 -1.82 0.00 0.00 70.33 66.15 1li6 n THR 115 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1li6 h ASN 116 N 0.00 0.68 0.31 8.00 2.35 -1.95 -0.69 115.58 124.27 1li6 h ASN 116 Ca 0.45 -0.30 -0.08 0.00 -0.55 0.00 0.00 56.30 55.82 1li6 h ASN 116 Cb 0.70 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1li6 h ASN 116 CO -1.02 0.81 -0.37 0.28 -1.65 0.00 0.00 177.43 175.48 1li6 h SER 117 N 0.53 0.09 -0.60 5.81 0.02 -1.25 -1.98 113.55 116.16 1li6 h SER 117 Ca 0.11 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1li6 h SER 117 Cb 0.46 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1li6 h SER 117 CO 0.02 0.45 0.17 -0.07 -1.14 0.00 0.00 176.83 176.27 1li6 h LEU 118 N 0.08 0.89 -0.87 5.07 3.38 0.01 0.55 115.31 124.42 1li6 h LEU 118 Ca 0.01 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1li6 h LEU 118 Cb 0.69 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1li6 h LEU 118 CO 0.05 0.87 -0.03 0.03 0.09 0.00 0.00 178.44 179.46 1li6 h ARG 119 N 0.87 0.81 -0.47 1.13 3.08 -0.69 -0.23 114.38 118.89 1li6 h ARG 119 Ca 0.19 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 1li6 h ARG 119 Cb 0.31 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1li6 h ARG 119 CO -0.00 0.84 -0.03 0.52 -1.07 0.00 0.00 179.97 180.22 1li6 h MET 120 N 0.75 0.79 -0.36 0.04 2.86 -0.70 -0.93 114.93 117.39 1li6 h MET 120 Ca 0.14 -0.23 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 1li6 h MET 120 Cb 0.50 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1li6 h MET 120 CO 0.02 0.82 -0.25 -0.07 1.06 0.00 0.00 176.91 178.49 1li6 h LEU 121 N 0.73 0.73 -1.16 1.22 3.38 -0.52 -1.53 115.31 118.16 1li6 h LEU 121 Ca 0.14 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1li6 h LEU 121 Cb 0.49 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1li6 h LEU 121 CO 0.02 0.95 -0.27 -0.61 0.09 0.00 0.00 178.44 178.63 1li6 h GLN 122 N 0.62 0.24 -0.00 1.13 4.15 -0.28 -1.61 115.11 119.36 1li6 h GLN 122 Ca 0.08 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1li6 h GLN 122 Cb 0.75 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1li6 h GLN 122 CO 0.06 0.50 -0.03 1.04 -1.93 0.00 0.00 178.83 178.47 1li6 n GLN 123 N -4.15 0.77 -2.22 1.69 6.02 -0.43 -4.91 117.38 114.15 1li6 n GLN 123 Ca -0.01 -0.11 -0.12 0.00 -0.01 0.00 0.00 57.00 56.75 1li6 n GLN 123 Cb 0.37 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.13 1li6 n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1li6 n LYS 124 N -1.02 -0.94 -2.83 -1.09 5.02 -0.61 -4.96 118.16 111.73 1li6 n LYS 124 Ca 0.18 0.57 -0.44 0.00 -2.02 0.00 0.00 58.31 56.61 1li6 n LYS 124 Cb 0.21 -4.73 0.00 0.00 -0.02 0.00 0.00 35.03 30.49 1li6 n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1li6 n ARG 125 N -2.14 3.63 0.02 1.97 1.74 -0.65 -4.85 116.66 116.38 1li6 n ARG 125 Ca -0.14 -3.95 -0.10 0.00 -0.77 0.00 0.00 57.85 52.89 1li6 n ARG 125 Cb 0.61 -2.85 -0.04 0.00 -1.02 0.00 0.00 32.46 29.16 1li6 n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1li6 h TRP 126 N 6.38 -0.70 -0.13 -1.55 -0.00 -1.88 -0.44 115.95 117.64 1li6 h TRP 126 Ca 0.30 0.03 -0.13 0.00 -0.00 0.00 0.00 58.89 59.09 1li6 h TRP 126 Cb 0.76 0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 30.23 1li6 h TRP 126 CO 1.08 -0.34 -0.51 -0.44 -0.00 0.00 0.00 178.44 178.23 1li6 h ASP 127 N -0.35 0.38 -0.51 -3.49 5.19 -1.89 -2.41 116.42 113.34 1li6 h ASP 127 Ca 0.09 -0.19 -0.09 0.00 -0.62 0.00 0.00 57.03 56.22 1li6 h ASP 127 Cb 0.48 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 1li6 h ASP 127 CO -0.29 0.82 -0.02 -0.33 -3.12 0.00 0.00 179.24 176.30 1li6 h GLU 128 N 0.27 0.96 -0.77 3.56 5.08 -1.87 -2.84 114.58 118.96 1li6 h GLU 128 Ca 0.01 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 1li6 h GLU 128 Cb 0.99 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 1li6 h GLU 128 CO 0.08 0.96 0.26 0.00 -1.00 0.00 0.00 179.01 179.31 1li6 h ALA 129 N 1.09 1.00 -0.03 3.43 0.00 -0.96 -2.04 119.26 121.76 1li6 h ALA 129 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1li6 h ALA 129 Cb 0.54 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1li6 h ALA 129 CO 0.03 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.96 1li6 h ALA 130 N 1.14 0.03 -0.27 0.00 0.00 -1.27 0.57 119.26 119.46 1li6 h ALA 130 Ca 0.25 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1li6 h ALA 130 Cb 0.28 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1li6 h ALA 130 CO -0.01 -0.48 0.11 0.28 0.00 0.00 0.00 179.25 179.14 1li6 h VAL 131 N 0.02 0.95 -0.56 0.00 2.07 -1.46 -2.34 116.25 114.94 1li6 h VAL 131 Ca 0.01 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1li6 h VAL 131 Cb 0.01 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1li6 h VAL 131 CO -0.02 0.04 0.33 -1.13 0.02 0.00 0.00 177.57 176.82 1li6 h ASN 132 N 0.24 0.67 -0.21 0.57 -0.73 -0.89 -2.22 115.58 113.01 1li6 h ASN 132 Ca 0.11 -0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.20 1li6 h ASN 132 Cb 0.07 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.47 1li6 h ASN 132 CO -0.10 0.54 0.08 -0.07 -0.37 0.00 0.00 177.43 177.50 1li6 h LEU 133 N 0.75 0.34 -1.44 0.34 3.38 0.38 -2.23 115.31 116.83 1li6 h LEU 133 Ca 0.20 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1li6 h LEU 133 Cb -0.01 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1li6 h LEU 133 CO -0.04 0.34 -0.04 0.00 0.09 0.00 0.00 178.44 178.79 1li6 h ALA 134 N 1.72 1.01 -0.11 1.53 0.00 -0.85 -3.33 119.26 119.23 1li6 h ALA 134 Ca 0.09 -0.04 -0.70 0.00 0.00 0.00 0.00 54.91 54.26 1li6 h ALA 134 Cb 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1li6 h ALA 134 CO -0.01 0.05 3.24 1.63 0.00 0.00 0.00 179.25 184.17 1li6 n LYS 135 N -3.16 3.27 -3.55 0.00 5.02 -0.84 -4.62 118.16 114.28 1li6 n LYS 135 Ca 0.00 -2.59 -0.11 0.00 -2.02 0.00 0.00 58.31 53.59 1li6 n LYS 135 Cb 0.32 -3.07 -0.04 0.00 -0.02 0.00 0.00 35.03 32.22 1li6 n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1li6 s SER 136 N 2.54 -0.37 0.24 4.39 1.04 -1.25 -5.01 113.70 115.28 1li6 s SER 136 Ca 0.54 -0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.77 1li6 s SER 136 Cb 0.15 0.52 0.27 0.00 0.10 0.00 0.00 66.02 67.06 1li6 s SER 136 CO -0.07 -0.89 1.73 -0.09 0.98 0.00 0.00 173.24 174.90 1li6 h ARG 137 N 2.26 0.85 -0.28 4.02 2.43 -1.91 -2.13 114.38 119.62 1li6 h ARG 137 Ca -0.34 -0.24 0.07 0.00 -0.81 0.00 0.00 59.98 58.66 1li6 h ARG 137 Cb 1.27 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.66 1li6 h ARG 137 CO 0.43 0.86 -0.21 2.35 -1.51 0.00 0.00 179.97 181.88 1li6 h TRP 138 N 0.78 -0.56 -0.49 2.20 7.01 -1.94 0.28 115.95 123.24 1li6 h TRP 138 Ca 0.15 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.16 1li6 h TRP 138 Cb 0.49 0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.82 1li6 h TRP 138 CO 0.03 -0.29 0.20 -0.92 -2.79 0.00 0.00 178.44 174.66 1li6 h TYR 139 N -0.20 0.74 0.00 2.65 3.20 -1.77 -1.69 116.97 119.91 1li6 h TYR 139 Ca 0.15 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 1li6 h TYR 139 Cb 0.43 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1li6 h TYR 139 CO -0.39 0.62 -0.31 -0.91 -1.64 0.00 0.00 178.16 175.52 1li6 h ASN 140 N 0.65 0.00 0.53 -2.11 4.21 -0.83 -0.72 115.58 117.30 1li6 h ASN 140 Ca 0.16 0.00 -0.29 0.00 1.21 0.00 0.00 56.30 57.39 1li6 h ASN 140 Cb 0.19 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.34 1li6 h ASN 140 CO -0.01 0.31 -1.63 1.56 -1.29 0.00 0.00 177.43 176.36 1li6 h GLN 141 N 0.00 0.02 -2.05 0.81 1.08 -0.35 -3.40 115.11 111.21 1li6 h GLN 141 Ca -0.00 -0.04 -0.55 0.00 -1.45 0.00 0.00 58.65 56.61 1li6 h GLN 141 Cb 0.66 0.01 -0.40 0.00 -0.05 0.00 0.00 27.48 27.70 1li6 h GLN 141 CO 0.04 0.61 -1.00 0.25 -0.95 0.00 0.00 178.83 177.77 1li6 n THR 142 N -3.12 0.20 -0.35 -0.54 -2.24 -0.65 -4.97 114.28 102.62 1li6 n THR 142 Ca -0.16 -4.44 0.01 0.00 -2.27 0.00 0.00 64.05 57.19 1li6 n THR 142 Cb 1.04 -1.63 0.16 0.00 -2.10 0.00 0.00 70.33 67.80 1li6 n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1li6 h PRO 143 N 3.78 1.19 -0.15 -0.78 0.13 -1.32 0.63 132.00 135.48 1li6 h PRO 143 Ca 0.10 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1li6 h PRO 143 Cb 0.83 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1li6 h PRO 143 CO 0.56 0.79 0.04 -0.91 -0.23 0.00 0.00 178.00 178.25 1li6 h ASN 144 N 1.23 0.23 -0.09 1.44 2.35 -1.93 0.16 115.58 118.96 1li6 h ASN 144 Ca 0.38 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1li6 h ASN 144 Cb -0.00 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1li6 h ASN 144 CO -0.12 0.38 0.01 -0.09 -1.65 0.00 0.00 177.43 175.96 1li6 h ARG 145 N 0.06 0.16 -0.98 0.81 2.43 -1.95 -2.85 114.38 112.06 1li6 h ARG 145 Ca 0.05 -0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.32 1li6 h ARG 145 Cb 0.24 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.68 1li6 h ARG 145 CO -0.00 0.39 0.60 0.00 -1.51 0.00 0.00 179.97 179.45 1li6 h ALA 146 N 0.76 1.52 -0.82 2.80 0.00 -0.82 -0.90 119.26 121.80 1li6 h ALA 146 Ca 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1li6 h ALA 146 Cb 0.31 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1li6 h ALA 146 CO 0.00 0.11 0.38 0.87 0.00 0.00 0.00 179.25 180.62 1li6 h LYS 147 N 0.88 1.18 -0.57 0.00 1.57 -0.53 -0.14 116.57 118.97 1li6 h LYS 147 Ca 0.51 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 59.02 1li6 h LYS 147 Cb 0.61 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1li6 h LYS 147 CO -0.31 0.91 -0.04 0.00 -0.57 0.00 0.00 179.45 179.45 1li6 h ARG 148 N 1.17 1.03 -0.38 3.15 3.08 -1.00 0.20 114.38 121.63 1li6 h ARG 148 Ca 0.28 -0.35 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 1li6 h ARG 148 Cb 0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1li6 h ARG 148 CO -0.03 1.03 -0.32 0.28 -1.07 0.00 0.00 179.97 179.86 1li6 h VAL 149 N 0.91 1.28 -0.55 2.04 2.07 -0.68 -2.30 116.25 119.02 1li6 h VAL 149 Ca 0.16 -1.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.10 1li6 h VAL 149 Cb 0.60 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1li6 h VAL 149 CO 0.04 0.50 -0.00 0.40 0.02 0.00 0.00 177.57 178.52 1li6 h ILE 150 N 0.72 1.26 0.00 4.57 2.04 -0.98 -0.28 117.51 124.85 1li6 h ILE 150 Ca 0.07 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 64.75 1li6 h ILE 150 Cb 0.89 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1li6 h ILE 150 CO 0.08 0.40 -0.32 0.74 0.00 0.00 0.00 178.15 179.05 1li6 h THR 151 N 0.85 1.10 -0.21 -0.27 2.02 -0.82 0.96 112.91 116.54 1li6 h THR 151 Ca 0.15 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.16 1li6 h THR 151 Cb 0.54 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1li6 h THR 151 CO 0.03 0.31 -0.01 0.74 0.37 0.00 0.00 175.52 176.96 1li6 h THR 152 N 0.00 1.26 -0.37 3.16 2.02 -0.88 -0.29 112.91 117.82 1li6 h THR 152 Ca -0.00 -0.92 -0.10 0.00 0.77 0.00 0.00 66.41 66.16 1li6 h THR 152 Cb 0.61 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1li6 h THR 152 CO 0.04 0.28 -0.16 -0.26 0.37 0.00 0.00 175.52 175.79 1li6 h PHE 153 N 0.12 0.75 -0.47 3.16 0.05 -0.76 0.12 116.94 119.91 1li6 h PHE 153 Ca 0.06 -0.15 -0.09 0.00 3.82 0.00 0.00 57.97 61.62 1li6 h PHE 153 Cb 0.42 -0.19 -0.02 0.00 2.00 0.00 0.00 35.95 38.17 1li6 h PHE 153 CO 0.04 0.80 -0.04 -0.09 -0.18 0.00 0.00 178.31 178.84 1li6 h ARG 154 N 0.61 0.85 0.00 1.51 2.43 -0.58 -3.36 114.38 115.85 1li6 h ARG 154 Ca 0.10 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 1li6 h ARG 154 Cb 0.62 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1li6 h ARG 154 CO 0.04 0.92 -1.91 0.25 -1.51 0.00 0.00 179.97 177.76 1li6 n THR 155 N -4.31 0.16 -1.38 0.20 -2.24 -0.14 -4.75 114.28 101.82 1li6 n THR 155 Ca 0.00 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.18 1li6 n THR 155 Cb 0.34 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.50 1li6 n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1li6 n GLY 156 N 1.49 1.37 3.46 3.38 0.00 0.40 -5.01 105.19 110.29 1li6 n GLY 156 Ca -0.07 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 1li6 n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1li6 s THR 157 N -2.45 1.11 -0.88 2.61 -4.23 -1.26 -4.78 115.64 105.76 1li6 s THR 157 Ca 0.00 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.63 1li6 s THR 157 Cb 0.00 -2.73 0.59 0.00 1.34 0.00 0.00 72.50 71.69 1li6 s THR 157 CO 0.00 0.00 1.43 0.79 -0.54 0.00 0.00 174.62 176.30 1li6 n TRP 158 N -0.72 1.34 -0.26 3.99 7.02 -1.26 -4.63 117.44 122.93 1li6 n TRP 158 Ca -0.03 -0.50 0.23 0.00 -1.02 0.00 0.00 57.50 56.18 1li6 n TRP 158 Cb 0.66 -0.30 0.56 0.00 -2.42 0.00 0.00 31.31 29.82 1li6 n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1li6 h ASP 159 N 3.09 0.33 1.18 -0.99 3.32 -1.96 0.13 116.42 121.52 1li6 h ASP 159 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1li6 h ASP 159 Cb 1.37 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1li6 h ASP 159 CO 0.27 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 1li6 h ALA 160 N 1.59 1.00 -0.12 3.45 0.00 -1.88 -1.20 119.26 122.10 1li6 h ALA 160 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1li6 h ALA 160 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1li6 h ALA 160 CO -0.17 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.74 1li6 n TYR 161 N -2.39 0.13 -0.48 0.00 4.02 0.36 -4.96 117.16 113.83 1li6 n TYR 161 Ca 0.04 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 1li6 n TYR 161 Cb 0.35 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 1li6 n TYR 161 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21