#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa0 s ASN 2 N 0.00 0.50 0.38 6.12 2.20 -1.26 -5.03 114.94 117.84 3fa0 s ASN 2 Ca 0.00 -1.28 0.05 0.00 -0.94 0.00 0.00 52.86 50.68 3fa0 s ASN 2 Cb 0.00 0.67 0.74 0.00 -2.00 0.00 0.00 41.25 40.66 3fa0 s ASN 2 CO 0.00 -1.31 2.02 -0.29 -2.94 0.00 0.00 177.10 174.58 3fa0 h ILE 3 N 2.14 1.14 -0.14 0.54 6.09 -1.97 -0.54 117.51 124.77 3fa0 h ILE 3 Ca -0.28 -0.30 -0.04 0.00 -1.37 0.00 0.00 64.86 62.87 3fa0 h ILE 3 Cb 1.24 0.45 -0.00 0.00 0.47 0.00 0.00 36.82 38.98 3fa0 h ILE 3 CO 0.38 0.14 -0.05 -0.26 -3.07 0.00 0.00 178.15 175.29 3fa0 h PHE 4 N 0.67 0.32 -0.74 2.19 0.04 -1.99 -1.38 116.94 116.05 3fa0 h PHE 4 Ca 0.18 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 3fa0 h PHE 4 Cb -0.03 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.01 3fa0 h PHE 4 CO 0.00 0.59 0.25 0.93 -0.60 0.00 0.00 178.31 179.48 3fa0 h GLU 5 N -0.05 1.14 0.27 1.51 5.08 -1.85 0.06 114.58 120.74 3fa0 h GLU 5 Ca 0.03 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3fa0 h GLU 5 Cb 0.50 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3fa0 h GLU 5 CO 0.02 0.95 -0.13 1.98 -1.00 0.00 0.00 179.01 180.83 3fa0 h MET 6 N 1.10 -0.35 -0.10 2.33 4.05 -1.02 -2.25 114.93 118.68 3fa0 h MET 6 Ca 0.24 0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.60 3fa0 h MET 6 Cb 0.28 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 3fa0 h MET 6 CO -0.01 -0.20 -0.35 -0.07 0.23 0.00 0.00 176.91 176.51 3fa0 h LEU 7 N -0.42 0.21 -0.88 3.39 3.38 -1.17 -1.90 115.31 117.92 3fa0 h LEU 7 Ca -0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3fa0 h LEU 7 Cb 0.32 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3fa0 h LEU 7 CO 0.06 0.55 0.48 -0.09 0.09 0.00 0.00 178.44 179.54 3fa0 h ARG 8 N 0.18 1.23 -0.02 1.13 9.65 -0.88 0.13 114.38 125.79 3fa0 h ARG 8 Ca 0.02 -0.14 -0.00 0.00 -1.10 0.00 0.00 59.98 58.76 3fa0 h ARG 8 Cb 0.70 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 29.04 3fa0 h ARG 8 CO 0.05 0.90 0.01 0.82 2.80 0.00 0.00 179.97 184.55 3fa0 h ILE 9 N 1.23 1.11 -0.01 1.20 2.04 -1.07 -1.45 117.51 120.56 3fa0 h ILE 9 Ca 0.31 -0.31 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 3fa0 h ILE 9 Cb 0.02 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3fa0 h ILE 9 CO -0.05 0.08 -0.53 0.44 0.00 0.00 0.00 178.15 178.09 3fa0 h ASP 10 N -0.09 0.03 0.00 1.72 3.32 -1.01 -3.32 116.42 117.08 3fa0 h ASP 10 Ca 0.01 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3fa0 h ASP 10 Cb 0.13 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3fa0 h ASP 10 CO -0.00 0.56 -1.87 -0.62 -1.72 0.00 0.00 179.24 175.59 3fa0 n GLU 11 N -3.91 0.60 -0.07 3.56 -0.58 0.41 -5.09 120.64 115.56 3fa0 n GLU 11 Ca -0.01 -0.16 0.01 0.00 -0.42 0.00 0.00 57.16 56.57 3fa0 n GLU 11 Cb 0.54 -1.44 -0.00 0.00 -0.57 0.00 0.00 31.44 29.97 3fa0 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fa0 n GLY 12 N 1.47 -1.84 2.87 0.62 0.00 -0.55 -4.30 105.19 103.45 3fa0 n GLY 12 Ca -0.05 -1.33 -0.16 0.00 0.00 0.00 0.00 46.02 44.48 3fa0 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fa0 s LEU 13 N 0.00 -0.17 -0.04 0.99 2.96 -1.26 -4.20 118.68 116.95 3fa0 s LEU 13 Ca 0.00 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 3fa0 s LEU 13 Cb 0.00 0.47 0.02 0.00 0.50 0.00 0.00 46.19 47.18 3fa0 s LEU 13 CO 0.00 -0.27 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.56 3fa0 s ARG 14 N 2.35 0.94 0.00 1.98 0.52 -0.78 -5.01 118.95 118.96 3fa0 s ARG 14 Ca 0.04 -0.18 0.24 0.00 -0.52 0.00 0.00 55.73 55.30 3fa0 s ARG 14 Cb -0.13 -0.89 0.24 0.00 0.52 0.00 0.00 34.95 34.68 3fa0 s ARG 14 CO -0.09 -0.02 1.24 1.28 0.02 0.00 0.00 175.30 177.73 3fa0 n LEU 15 N 3.82 1.52 -4.61 2.53 4.77 -1.26 -0.14 117.00 123.63 3fa0 n LEU 15 Ca -0.23 -0.53 -0.31 0.00 -0.03 0.00 0.00 56.01 54.91 3fa0 n LEU 15 Cb 0.52 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 3fa0 n LEU 15 CO 0.24 0.29 -0.39 -0.54 -1.33 0.00 0.00 177.39 175.66 3fa0 s LYS 16 N -2.57 2.36 0.21 3.23 1.02 -1.26 -1.03 119.74 121.70 3fa0 s LYS 16 Ca 0.19 -0.88 -0.32 0.00 0.02 0.00 0.00 55.97 54.98 3fa0 s LYS 16 Cb 0.18 -2.42 -0.15 0.00 -0.52 0.00 0.00 37.83 34.93 3fa0 s LYS 16 CO 0.59 0.55 1.24 -0.89 -0.92 0.00 0.00 175.35 175.92 3fa0 n ILE 17 N 0.96 1.02 -4.21 2.17 5.41 -0.70 -4.70 119.36 119.31 3fa0 n ILE 17 Ca -0.13 -0.25 -0.12 0.00 1.00 0.00 0.00 62.75 63.24 3fa0 n ILE 17 Cb 0.52 -1.10 -0.10 0.00 -0.71 0.00 0.00 39.64 38.25 3fa0 n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3fa0 s TYR 18 N -0.22 1.14 -0.11 1.39 1.13 -0.20 -4.97 117.35 115.50 3fa0 s TYR 18 Ca 0.70 -1.28 -0.13 0.00 -1.41 0.00 0.00 57.07 54.94 3fa0 s TYR 18 Cb -0.76 -0.60 -0.05 0.00 -1.10 0.00 0.00 41.96 39.45 3fa0 s TYR 18 CO 0.52 -0.53 0.31 0.15 -2.51 0.00 0.00 175.55 173.49 3fa0 s LYS 19 N -4.09 4.06 0.43 -3.49 1.02 -1.26 -0.26 119.74 116.15 3fa0 s LYS 19 Ca 0.33 0.15 -0.07 0.00 0.02 0.00 0.00 55.97 56.41 3fa0 s LYS 19 Cb 0.07 -3.34 0.10 0.00 -0.52 0.00 0.00 37.83 34.14 3fa0 s LYS 19 CO 0.09 0.42 0.46 -0.40 -0.92 0.00 0.00 175.35 174.99 3fa0 n ASP 20 N 2.93 -0.80 0.30 2.83 5.68 0.02 -4.81 116.55 122.71 3fa0 n ASP 20 Ca -0.13 -0.94 0.18 0.00 -0.50 0.00 0.00 54.79 53.40 3fa0 n ASP 20 Cb 0.52 -0.38 0.93 0.00 -1.14 0.00 0.00 41.12 41.05 3fa0 n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3fa0 h THR 21 N -1.68 0.25 -0.33 2.12 1.35 -1.99 -0.89 112.91 111.73 3fa0 h THR 21 Ca -0.16 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3fa0 h THR 21 Cb 0.47 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3fa0 h THR 21 CO 0.11 0.04 0.00 -0.62 -0.25 0.00 0.00 175.52 174.79 3fa0 n GLU 22 N -3.36 2.35 -0.76 4.72 -0.58 -1.26 -4.96 120.64 116.80 3fa0 n GLU 22 Ca -0.02 -2.03 0.00 0.00 -0.42 0.00 0.00 57.16 54.69 3fa0 n GLU 22 Cb 0.17 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 3fa0 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fa0 n GLY 23 N 1.43 0.58 3.86 0.62 0.00 -0.34 -5.06 105.19 106.27 3fa0 n GLY 23 Ca 0.19 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 3fa0 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fa0 s TYR 24 N -2.00 3.59 0.20 1.61 2.02 -1.26 -4.72 117.35 116.79 3fa0 s TYR 24 Ca 0.00 0.56 -0.32 0.00 -0.37 0.00 0.00 57.07 56.95 3fa0 s TYR 24 Cb 0.00 -2.00 -0.11 0.00 -0.40 0.00 0.00 41.96 39.44 3fa0 s TYR 24 CO 0.00 0.68 1.65 0.71 -1.57 0.00 0.00 175.55 177.02 3fa0 s TYR 25 N -0.88 2.95 0.11 2.71 2.02 -1.23 -0.80 117.35 122.23 3fa0 s TYR 25 Ca 0.15 0.50 -0.07 0.00 -0.37 0.00 0.00 57.07 57.28 3fa0 s TYR 25 Cb -0.12 -4.05 -0.01 0.00 -0.40 0.00 0.00 41.96 37.37 3fa0 s TYR 25 CO 0.04 -3.90 0.18 0.99 -1.57 0.00 0.00 175.55 171.29 3fa0 s THR 26 N 1.03 0.13 0.17 -0.71 2.01 0.64 -0.70 115.64 118.20 3fa0 s THR 26 Ca 0.72 -1.36 -0.11 0.00 0.31 0.00 0.00 61.69 61.25 3fa0 s THR 26 Cb -0.47 -1.55 -0.00 0.00 0.01 0.00 0.00 72.50 70.49 3fa0 s THR 26 CO 0.33 -0.58 0.34 -0.51 -0.69 0.00 0.00 174.62 173.51 3fa0 s ILE 27 N -3.91 0.06 0.00 1.82 2.07 -0.55 -1.04 121.20 119.66 3fa0 s ILE 27 Ca 0.10 -1.26 0.00 0.00 -1.41 0.00 0.00 60.65 58.08 3fa0 s ILE 27 Cb 0.05 -1.79 0.00 0.00 0.13 0.00 0.00 42.46 40.85 3fa0 s ILE 27 CO -0.07 -0.26 0.00 0.61 -1.91 0.00 0.00 174.94 173.31 3fa0 n GLY 28 N -0.24 1.77 3.02 1.50 0.00 0.80 -1.08 105.19 110.96 3fa0 n GLY 28 Ca -0.08 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3fa0 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa0 n ILE 29 N 0.00 4.66 -2.85 -0.61 5.41 -1.26 -1.86 119.36 122.86 3fa0 n ILE 29 Ca 0.00 -5.68 -0.20 0.00 1.00 0.00 0.00 62.75 57.87 3fa0 n ILE 29 Cb 0.00 -2.21 0.03 0.00 -0.71 0.00 0.00 39.64 36.74 3fa0 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3fa0 n GLY 30 N 1.64 -0.42 3.53 7.39 0.00 -1.24 -4.88 105.19 111.20 3fa0 n GLY 30 Ca 0.26 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 3fa0 n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fa0 s HIS 31 N -3.10 2.61 0.14 1.61 5.04 -0.24 -4.92 115.29 116.44 3fa0 s HIS 31 Ca 0.23 -0.05 -0.31 0.00 -1.54 0.00 0.00 55.06 53.39 3fa0 s HIS 31 Cb -0.10 -4.34 -0.10 0.00 0.04 0.00 0.00 32.58 28.08 3fa0 s HIS 31 CO 0.28 -1.63 1.72 -1.17 -2.34 0.00 0.00 174.74 171.60 3fa0 s LEU 32 N 4.59 4.38 -0.17 8.88 2.96 -1.26 -1.47 118.68 136.58 3fa0 s LEU 32 Ca 0.32 2.70 -0.13 0.00 -0.22 0.00 0.00 54.13 56.80 3fa0 s LEU 32 Cb -0.11 -3.58 -0.22 0.00 0.50 0.00 0.00 46.19 42.78 3fa0 s LEU 32 CO 0.18 -0.94 0.24 0.18 -1.32 0.00 0.00 176.35 174.69 3fa0 n LEU 33 N 4.93 2.27 -3.56 -0.68 4.77 0.12 -4.95 117.00 119.90 3fa0 n LEU 33 Ca 0.16 0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 56.37 3fa0 n LEU 33 Cb 0.38 -1.03 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 3fa0 n LEU 33 CO 0.64 0.59 0.86 0.28 -1.33 0.00 0.00 177.39 178.43 3fa0 s THR 34 N -2.47 0.00 -1.92 -5.08 -1.32 -1.19 -4.89 115.64 98.78 3fa0 s THR 34 Ca -0.27 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.47 3fa0 s THR 34 Cb 0.07 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.28 3fa0 s THR 34 CO 0.67 0.00 1.46 0.29 -2.21 0.00 0.00 174.62 174.83 3fa0 n LYS 35 N 0.02 1.04 -2.04 7.08 5.02 -1.26 -3.58 118.16 124.44 3fa0 n LYS 35 Ca -0.05 -0.70 -0.39 0.00 -2.02 0.00 0.00 58.31 55.15 3fa0 n LYS 35 Cb 0.59 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 34.12 3fa0 n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3fa0 s SER 36 N -2.44 6.30 0.00 4.39 0.15 -1.26 -4.89 113.70 115.95 3fa0 s SER 36 Ca 0.24 2.67 0.26 0.00 0.70 0.00 0.00 55.95 59.82 3fa0 s SER 36 Cb 0.19 -2.64 1.57 0.00 -1.71 0.00 0.00 66.02 63.43 3fa0 s SER 36 CO 0.51 -0.86 1.95 -0.81 1.20 0.00 0.00 173.24 175.23 3fa0 n PRO 37 N 0.12 0.88 -2.99 5.44 -0.04 -1.26 -4.73 135.00 132.42 3fa0 n PRO 37 Ca 0.04 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.08 3fa0 n PRO 37 Cb 0.43 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 3fa0 n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3fa0 s SER 38 N -1.95 6.67 0.32 3.54 0.15 -1.26 -4.92 113.70 116.25 3fa0 s SER 38 Ca 0.39 0.74 -0.00 0.00 0.70 0.00 0.00 55.95 57.79 3fa0 s SER 38 Cb 0.18 -2.39 0.52 0.00 -1.71 0.00 0.00 66.02 62.62 3fa0 s SER 38 CO 0.30 -0.52 1.98 0.25 1.20 0.00 0.00 173.24 176.46 3fa0 h LEU 39 N 9.23 0.85 -0.99 3.45 5.85 -2.00 -1.92 115.31 129.78 3fa0 h LEU 39 Ca -0.25 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 3fa0 h LEU 39 Cb 1.10 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3fa0 h LEU 39 CO 0.85 0.63 0.05 0.78 -0.34 0.00 0.00 178.44 180.41 3fa0 h ASN 40 N 1.00 0.74 -0.85 1.25 2.35 -1.98 0.24 115.58 118.33 3fa0 h ASN 40 Ca 0.27 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3fa0 h ASN 40 Cb -0.09 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.04 3fa0 h ASN 40 CO -0.06 0.78 0.40 0.00 -1.65 0.00 0.00 177.43 176.90 3fa0 h ALA 41 N 1.32 1.10 -0.59 -0.83 0.00 -1.80 -0.95 119.26 117.50 3fa0 h ALA 41 Ca 0.15 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3fa0 h ALA 41 Cb 0.37 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3fa0 h ALA 41 CO 0.01 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.94 3fa0 h ALA 42 N 1.22 0.80 -0.48 0.00 0.00 -0.62 -1.43 119.26 118.76 3fa0 h ALA 42 Ca 0.29 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3fa0 h ALA 42 Cb 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3fa0 h ALA 42 CO -0.04 0.63 0.12 0.87 0.00 0.00 0.00 179.25 180.84 3fa0 h LYS 43 N 0.94 0.72 -0.30 0.00 1.57 -0.71 0.08 116.57 118.87 3fa0 h LYS 43 Ca 0.17 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3fa0 h LYS 43 Cb 0.54 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3fa0 h LYS 43 CO 0.03 0.66 0.07 1.03 -0.57 0.00 0.00 179.45 180.66 3fa0 h SER 44 N 0.70 0.45 -0.93 0.86 0.87 -0.89 -0.99 113.55 113.64 3fa0 h SER 44 Ca 0.16 -0.23 0.02 0.00 -1.23 0.00 0.00 61.79 60.51 3fa0 h SER 44 Cb 0.26 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 3fa0 h SER 44 CO -0.00 0.57 0.61 -0.33 -0.53 0.00 0.00 176.83 177.14 3fa0 h GLU 45 N 0.31 1.18 -0.16 2.24 4.39 -0.91 -1.74 114.58 119.90 3fa0 h GLU 45 Ca 0.09 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.73 3fa0 h GLU 45 Cb 0.30 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3fa0 h GLU 45 CO 0.00 0.78 0.09 1.25 -1.16 0.00 0.00 179.01 179.98 3fa0 h LEU 46 N 1.22 0.15 -0.84 1.33 5.85 -0.69 -1.41 115.31 120.91 3fa0 h LEU 46 Ca 0.35 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.02 3fa0 h LEU 46 Cb -0.08 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3fa0 h LEU 46 CO -0.09 0.11 0.23 0.44 -0.34 0.00 0.00 178.44 178.79 3fa0 h ASP 47 N 0.19 1.02 -1.00 1.25 3.32 -0.82 -0.86 116.42 119.53 3fa0 h ASP 47 Ca 0.06 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.94 3fa0 h ASP 47 Cb -0.00 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.23 3fa0 h ASP 47 CO -0.03 0.94 0.66 0.50 -1.72 0.00 0.00 179.24 179.59 3fa0 h LYS 48 N 1.05 1.32 -0.22 3.56 3.64 -1.18 0.17 116.57 124.91 3fa0 h LYS 48 Ca 0.23 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.36 3fa0 h LYS 48 Cb 0.28 -0.30 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3fa0 h LYS 48 CO -0.01 0.87 -0.55 0.00 -2.27 0.00 0.00 179.45 177.49 3fa0 h ALA 49 N 1.38 0.60 0.00 5.00 0.00 -0.48 -3.30 119.26 122.46 3fa0 h ALA 49 Ca 0.37 -0.52 -0.24 0.00 0.00 0.00 0.00 54.91 54.52 3fa0 h ALA 49 Cb -0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3fa0 h ALA 49 CO -0.08 0.69 -1.74 -0.89 0.00 0.00 0.00 179.25 177.23 3fa0 n ILE 50 N -3.97 1.33 -0.59 0.00 2.08 -0.40 -5.00 119.36 112.80 3fa0 n ILE 50 Ca -0.04 -0.75 0.00 0.00 0.56 0.00 0.00 62.75 62.52 3fa0 n ILE 50 Cb 0.62 -0.76 0.00 0.00 -0.75 0.00 0.00 39.64 38.74 3fa0 n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3fa0 n GLY 51 N 1.51 0.71 3.71 7.39 0.00 0.60 -5.06 105.19 114.05 3fa0 n GLY 51 Ca -0.16 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 3fa0 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fa0 s ARG 52 N -1.22 1.63 -0.50 1.61 1.70 -1.16 -5.05 118.95 115.96 3fa0 s ARG 52 Ca 0.00 -0.98 -0.26 0.00 -0.47 0.00 0.00 55.73 54.02 3fa0 s ARG 52 Cb 0.00 0.56 0.03 0.00 -0.57 0.00 0.00 34.95 34.97 3fa0 s ARG 52 CO 0.00 -0.72 1.00 1.21 -1.08 0.00 0.00 175.30 175.71 3fa0 s ASN 53 N -2.92 6.48 0.04 -2.89 3.84 -1.26 -4.37 114.94 113.86 3fa0 s ASN 53 Ca 0.12 0.07 0.23 0.00 0.21 0.00 0.00 52.86 53.49 3fa0 s ASN 53 Cb -0.04 -2.48 0.14 0.00 -0.55 0.00 0.00 41.25 38.33 3fa0 s ASN 53 CO 0.04 -1.18 1.12 0.00 -2.79 0.00 0.00 177.10 174.29 3fa0 n ASN 55 N -1.85 -0.86 0.00 0.00 5.15 -1.26 -2.01 115.26 114.43 3fa0 n ASN 55 Ca 0.03 -1.20 0.00 0.00 -0.60 0.00 0.00 54.58 52.81 3fa0 n ASN 55 Cb 0.41 -1.91 0.00 0.00 -0.53 0.00 0.00 39.78 37.74 3fa0 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fa0 n GLY 56 N -1.77 0.49 2.95 8.20 0.00 -1.26 -5.01 105.19 108.79 3fa0 n GLY 56 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 3fa0 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa0 s VAL 57 N -2.05 0.53 0.39 1.61 1.01 -0.85 -1.72 120.40 119.31 3fa0 s VAL 57 Ca 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.79 3fa0 s VAL 57 Cb 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3fa0 s VAL 57 CO 0.00 0.18 0.08 0.27 0.00 0.00 0.00 175.10 175.63 3fa0 s ILE 58 N 0.23 0.93 0.41 2.22 -4.36 -0.20 -4.76 121.20 115.68 3fa0 s ILE 58 Ca -0.03 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.40 3fa0 s ILE 58 Cb -0.07 -2.52 -0.00 0.00 1.25 0.00 0.00 42.46 41.12 3fa0 s ILE 58 CO -0.00 0.00 0.58 0.42 0.24 0.00 0.00 174.94 176.18 3fa0 s THR 59 N -3.20 3.77 0.22 8.37 -4.23 -1.26 -4.80 115.64 114.52 3fa0 s THR 59 Ca 0.27 -0.79 -0.09 0.00 -1.18 0.00 0.00 61.69 59.90 3fa0 s THR 59 Cb 0.05 -3.34 0.17 0.00 1.34 0.00 0.00 72.50 70.72 3fa0 s THR 59 CO 0.14 -0.18 1.86 0.50 -0.54 0.00 0.00 174.62 176.40 3fa0 h LYS 60 N 0.60 0.93 -0.79 3.99 3.64 -1.99 -0.31 116.57 122.65 3fa0 h LYS 60 Ca -0.45 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 3fa0 h LYS 60 Cb 1.26 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 3fa0 h LYS 60 CO 0.53 0.62 0.36 -0.44 -2.27 0.00 0.00 179.45 178.25 3fa0 h ASP 61 N 0.96 1.05 -0.73 4.20 3.32 -1.99 -0.22 116.42 123.01 3fa0 h ASP 61 Ca 0.30 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3fa0 h ASP 61 Cb -0.00 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 3fa0 h ASP 61 CO -0.11 0.91 0.34 -0.33 -1.72 0.00 0.00 179.24 178.33 3fa0 h GLU 62 N 1.13 1.06 -0.79 3.56 5.08 -1.81 -0.35 114.58 122.46 3fa0 h GLU 62 Ca 0.27 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3fa0 h GLU 62 Cb 0.15 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 3fa0 h GLU 62 CO -0.03 0.84 0.50 0.00 -1.00 0.00 0.00 179.01 179.33 3fa0 h ALA 63 N 1.17 1.04 -0.03 3.43 0.00 -0.58 -1.45 119.26 122.84 3fa0 h ALA 63 Ca 0.25 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 3fa0 h ALA 63 Cb 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3fa0 h ALA 63 CO -0.03 0.32 -0.55 0.93 0.00 0.00 0.00 179.25 179.91 3fa0 h GLU 64 N 0.98 0.08 -0.23 0.00 5.08 -0.73 -1.35 114.58 118.42 3fa0 h GLU 64 Ca 0.31 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 3fa0 h GLU 64 Cb 0.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3fa0 h GLU 64 CO -0.11 0.61 0.00 -0.22 -1.00 0.00 0.00 179.01 178.30 3fa0 h LYS 65 N 0.06 0.41 -0.89 2.33 3.64 -0.49 -0.45 116.57 121.19 3fa0 h LYS 65 Ca -0.00 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3fa0 h LYS 65 Cb 1.00 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 3fa0 h LYS 65 CO 0.08 0.59 0.57 -0.07 -2.27 0.00 0.00 179.45 178.35 3fa0 h LEU 66 N 0.19 0.95 -0.40 5.20 3.38 -1.14 -2.04 115.31 121.44 3fa0 h LEU 66 Ca 0.07 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3fa0 h LEU 66 Cb 0.40 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3fa0 h LEU 66 CO 0.01 0.64 0.24 0.15 0.09 0.00 0.00 178.44 179.57 3fa0 h PHE 67 N 1.10 0.54 -0.39 1.13 3.57 -1.02 0.98 116.94 122.85 3fa0 h PHE 67 Ca 0.36 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.89 3fa0 h PHE 67 Cb 0.03 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 3fa0 h PHE 67 CO -0.02 0.39 0.16 -0.91 -2.23 0.00 0.00 178.31 175.71 3fa0 h ASN 68 N 0.53 0.21 -0.77 0.41 2.35 -0.73 -0.20 115.58 117.38 3fa0 h ASN 68 Ca 0.14 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3fa0 h ASN 68 Cb 0.02 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 3fa0 h ASN 68 CO -0.03 0.16 0.48 1.56 -1.65 0.00 0.00 177.43 177.95 3fa0 h GLN 69 N 0.34 1.03 -0.39 0.81 4.20 -1.01 -1.88 115.11 118.21 3fa0 h GLN 69 Ca 0.18 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.67 3fa0 h GLN 69 Cb 0.13 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3fa0 h GLN 69 CO -0.16 0.71 -0.29 -0.44 -0.67 0.00 0.00 178.83 177.99 3fa0 h ASP 70 N 1.04 0.93 -0.29 1.46 3.32 -0.36 -0.87 116.42 121.65 3fa0 h ASP 70 Ca 0.28 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 3fa0 h ASP 70 Cb -0.06 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 3fa0 h ASP 70 CO -0.05 1.17 0.07 0.58 -1.72 0.00 0.00 179.24 179.29 3fa0 h VAL 71 N 0.70 1.21 -0.18 -1.35 2.07 -0.97 -0.87 116.25 116.86 3fa0 h VAL 71 Ca 0.08 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 66.93 3fa0 h VAL 71 Cb 0.87 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 3fa0 h VAL 71 CO 0.08 0.23 -0.09 -0.78 0.02 0.00 0.00 177.57 177.03 3fa0 h ASP 72 N 0.31 -0.30 -0.69 0.57 3.58 -1.23 -1.08 116.42 117.58 3fa0 h ASP 72 Ca 0.09 0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.62 3fa0 h ASP 72 Cb 0.28 0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 3fa0 h ASP 72 CO 0.00 -0.12 0.45 0.00 -2.88 0.00 0.00 179.24 176.69 3fa0 h ALA 73 N 1.08 1.50 -0.38 -0.78 0.00 -1.07 -0.25 119.26 119.35 3fa0 h ALA 73 Ca 0.10 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3fa0 h ALA 73 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3fa0 h ALA 73 CO -0.23 0.46 -0.03 0.00 0.00 0.00 0.00 179.25 179.46 3fa0 h ALA 74 N 1.56 0.52 -0.07 0.00 0.00 -0.33 -0.64 119.26 120.30 3fa0 h ALA 74 Ca 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3fa0 h ALA 74 Cb -0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3fa0 h ALA 74 CO -0.05 0.32 -0.00 0.28 0.00 0.00 0.00 179.25 179.80 3fa0 h VAL 75 N 0.51 1.25 -0.17 0.00 2.07 -0.89 -1.61 116.25 117.42 3fa0 h VAL 75 Ca 0.11 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 3fa0 h VAL 75 Cb 0.52 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 3fa0 h VAL 75 CO 0.03 0.22 -0.27 -0.09 0.02 0.00 0.00 177.57 177.48 3fa0 h ARG 76 N -0.16 0.32 -0.57 1.57 9.65 -1.05 -2.00 114.38 122.13 3fa0 h ARG 76 Ca 0.02 -0.11 0.07 0.00 -1.10 0.00 0.00 59.98 58.86 3fa0 h ARG 76 Cb 0.35 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.84 3fa0 h ARG 76 CO 0.00 0.57 0.24 0.78 2.80 0.00 0.00 179.97 184.36 3fa0 h GLY 77 N 1.02 0.80 0.48 2.80 0.00 -0.93 -0.61 103.07 106.62 3fa0 h GLY 77 Ca 0.04 -0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.29 3fa0 h GLY 77 CO 0.05 0.03 -0.02 -2.22 0.00 0.00 0.00 176.54 174.37 3fa0 h ILE 78 N 0.44 0.75 0.00 2.60 2.04 -0.83 -2.39 117.51 120.13 3fa0 h ILE 78 Ca 0.28 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 66.07 3fa0 h ILE 78 Cb 0.28 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3fa0 h ILE 78 CO -0.25 0.01 -0.19 -0.07 0.00 0.00 0.00 178.15 177.65 3fa0 h LEU 79 N 0.06 0.00 -0.66 1.44 3.38 -0.57 -2.33 115.31 116.64 3fa0 h LEU 79 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3fa0 h LEU 79 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3fa0 h LEU 79 CO -0.27 0.19 -0.13 0.54 0.09 0.00 0.00 178.44 178.86 3fa0 n ARG 80 N -3.52 1.18 -3.75 1.13 1.74 -0.33 -4.75 116.66 108.35 3fa0 n ARG 80 Ca -0.01 -0.66 -0.37 0.00 -0.77 0.00 0.00 57.85 56.05 3fa0 n ARG 80 Cb 0.34 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.18 3fa0 n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3fa0 s ASN 81 N -2.27 5.48 0.55 0.55 3.84 -0.89 -5.00 114.94 117.20 3fa0 s ASN 81 Ca 0.31 -0.10 0.32 0.00 0.21 0.00 0.00 52.86 53.61 3fa0 s ASN 81 Cb 0.20 -1.99 1.58 0.00 -0.55 0.00 0.00 41.25 40.50 3fa0 s ASN 81 CO 0.43 -0.00 2.09 0.00 -2.79 0.00 0.00 177.10 176.83 3fa0 h ALA 82 N 7.99 1.12 0.08 1.71 0.00 -1.88 -0.85 119.26 127.43 3fa0 h ALA 82 Ca -0.37 -0.07 -0.29 0.00 0.00 0.00 0.00 54.91 54.18 3fa0 h ALA 82 Cb 1.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3fa0 h ALA 82 CO 0.59 0.09 -1.48 0.87 0.00 0.00 0.00 179.25 179.32 3fa0 h LYS 83 N 0.00 0.17 0.07 0.00 1.57 -1.94 -3.40 116.57 113.05 3fa0 h LYS 83 Ca -0.00 -0.30 -0.32 0.00 -1.87 0.00 0.00 60.65 58.16 3fa0 h LYS 83 Cb 0.35 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 3fa0 h LYS 83 CO 0.01 1.01 -1.79 -0.07 -0.57 0.00 0.00 179.45 178.04 3fa0 h LEU 84 N 0.05 0.25 -0.15 2.94 3.38 -1.68 -3.38 115.31 116.71 3fa0 h LEU 84 Ca -0.21 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.29 3fa0 h LEU 84 Cb 1.98 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.61 3fa0 h LEU 84 CO 0.14 1.44 -0.06 0.50 0.09 0.00 0.00 178.44 180.55 3fa0 h LYS 85 N 0.04 -0.04 -0.40 1.13 3.64 -0.98 -0.71 116.57 119.26 3fa0 h LYS 85 Ca -0.33 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.01 3fa0 h LYS 85 Cb 2.02 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.83 3fa0 h LYS 85 CO 0.10 -0.03 0.08 -1.00 -2.27 0.00 0.00 179.45 176.33 3fa0 h PRO 86 N -0.04 0.59 -0.13 1.90 0.13 -1.79 0.03 132.00 132.69 3fa0 h PRO 86 Ca 0.08 -0.11 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 3fa0 h PRO 86 Cb 0.16 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.19 3fa0 h PRO 86 CO -0.18 0.56 -0.02 0.28 -0.23 0.00 0.00 178.00 178.41 3fa0 h VAL 87 N 0.58 1.28 -0.15 1.56 2.07 -1.62 -2.06 116.25 117.90 3fa0 h VAL 87 Ca 0.13 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.77 3fa0 h VAL 87 Cb 0.25 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3fa0 h VAL 87 CO 0.00 0.27 -0.16 0.22 0.02 0.00 0.00 177.57 177.92 3fa0 h TYR 88 N -0.05 -0.41 -0.05 1.57 3.20 -0.76 -1.66 116.97 118.80 3fa0 h TYR 88 Ca 0.03 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3fa0 h TYR 88 Cb 0.43 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 3fa0 h TYR 88 CO 0.05 -0.23 0.01 -0.44 -1.64 0.00 0.00 178.16 175.91 3fa0 h ASP 89 N -0.19 0.06 1.40 -2.11 3.32 -0.94 -1.64 116.42 116.32 3fa0 h ASP 89 Ca 0.10 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3fa0 h ASP 89 Cb 0.34 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3fa0 h ASP 89 CO -0.27 0.07 0.00 0.77 -1.72 0.00 0.00 179.24 178.09 3fa0 h SER 90 N 0.07 0.00 -3.72 6.45 4.64 -0.57 -3.46 113.55 116.96 3fa0 h SER 90 Ca 0.02 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.84 3fa0 h SER 90 Cb 0.03 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3fa0 h SER 90 CO -0.00 0.00 0.14 -0.76 -0.87 0.00 0.00 176.83 175.34 3fa0 s LEU 91 N -5.90 3.73 0.88 5.97 1.43 -0.62 -5.07 118.68 119.11 3fa0 s LEU 91 Ca 0.04 1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 54.14 3fa0 s LEU 91 Cb 0.08 -4.02 0.12 0.00 0.03 0.00 0.00 46.19 42.39 3fa0 s LEU 91 CO 0.58 -0.49 1.09 1.51 0.23 0.00 0.00 176.35 179.28 3fa0 s ASP 92 N -3.48 3.61 0.27 2.29 -4.77 -1.26 -4.81 116.67 108.53 3fa0 s ASP 92 Ca 0.51 1.48 -0.03 0.00 -3.30 0.00 0.00 52.55 51.21 3fa0 s ASP 92 Cb -0.10 -2.16 0.40 0.00 -1.09 0.00 0.00 42.92 39.96 3fa0 s ASP 92 CO 0.36 -2.55 1.90 0.00 0.70 0.00 0.00 175.17 175.58 3fa0 h ALA 93 N -1.49 1.39 -0.14 2.11 0.00 -1.97 -0.28 119.26 118.89 3fa0 h ALA 93 Ca -0.49 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 3fa0 h ALA 93 Cb 1.28 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3fa0 h ALA 93 CO 0.55 0.48 -0.12 0.28 0.00 0.00 0.00 179.25 180.44 3fa0 h VAL 94 N 1.20 1.34 -0.23 0.00 2.07 -1.94 -2.93 116.25 115.76 3fa0 h VAL 94 Ca 0.41 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 3fa0 h VAL 94 Cb 0.10 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3fa0 h VAL 94 CO -0.15 0.36 -0.15 0.03 0.02 0.00 0.00 177.57 177.69 3fa0 h ARG 95 N -0.05 0.39 -0.90 1.57 3.08 -1.78 -1.64 114.38 115.05 3fa0 h ARG 95 Ca 0.02 -0.11 0.14 0.00 0.07 0.00 0.00 59.98 60.11 3fa0 h ARG 95 Cb 0.63 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.55 3fa0 h ARG 95 CO 0.03 0.54 0.50 0.00 -1.07 0.00 0.00 179.97 179.97 3fa0 h ARG 96 N 0.36 0.71 -0.42 0.04 3.08 -0.98 -1.75 114.38 115.42 3fa0 h ARG 96 Ca 0.07 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3fa0 h ARG 96 Cb 0.48 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3fa0 h ARG 96 CO 0.03 0.47 0.11 0.00 -1.07 0.00 0.00 179.97 179.51 3fa0 h ALA 98 N 1.52 0.94 -0.39 0.00 0.00 -1.16 -0.30 119.26 119.87 3fa0 h ALA 98 Ca 0.14 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3fa0 h ALA 98 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3fa0 h ALA 98 CO -0.01 0.56 -0.16 1.25 0.00 0.00 0.00 179.25 180.89 3fa0 h LEU 99 N 1.03 0.81 -0.87 0.00 5.85 -0.93 -2.06 115.31 119.15 3fa0 h LEU 99 Ca 0.24 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.62 3fa0 h LEU 99 Cb 0.20 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3fa0 h LEU 99 CO -0.02 1.02 0.55 0.40 -0.34 0.00 0.00 178.44 180.05 3fa0 h ILE 100 N 0.59 1.08 -0.32 4.05 2.04 -0.98 -1.89 117.51 122.09 3fa0 h ILE 100 Ca 0.09 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.61 3fa0 h ILE 100 Cb 0.70 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3fa0 h ILE 100 CO 0.05 0.19 0.19 -1.13 0.00 0.00 0.00 178.15 177.45 3fa0 h ASN 101 N 1.02 0.32 -0.56 1.72 -0.73 -0.75 -0.00 115.58 116.60 3fa0 h ASN 101 Ca 0.37 -0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.55 3fa0 h ASN 101 Cb 0.11 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 38.60 3fa0 h ASN 101 CO -0.15 0.24 0.36 0.24 -0.37 0.00 0.00 177.43 177.74 3fa0 h MET 102 N 0.40 0.70 -0.49 6.67 2.86 -1.05 -1.42 114.93 122.60 3fa0 h MET 102 Ca 0.12 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 3fa0 h MET 102 Cb -0.02 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 3fa0 h MET 102 CO -0.05 0.46 -0.06 0.28 1.06 0.00 0.00 176.91 178.60 3fa0 h VAL 103 N 0.72 1.26 -0.46 -2.22 2.07 -0.95 -0.17 116.25 116.50 3fa0 h VAL 103 Ca 0.22 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.61 3fa0 h VAL 103 Cb -0.03 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3fa0 h VAL 103 CO -0.07 0.40 0.29 0.15 0.02 0.00 0.00 177.57 178.35 3fa0 h PHE 104 N 0.79 0.54 -0.20 1.57 3.04 -0.67 0.24 116.94 122.25 3fa0 h PHE 104 Ca 0.14 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.95 3fa0 h PHE 104 Cb 0.56 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.90 3fa0 h PHE 104 CO 0.03 0.32 -0.49 0.37 -2.02 0.00 0.00 178.31 176.52 3fa0 h GLN 105 N 0.58 0.69 0.00 1.11 4.15 -0.84 -3.40 115.11 117.40 3fa0 h GLN 105 Ca 0.18 -0.47 0.00 0.00 0.77 0.00 0.00 58.65 59.13 3fa0 h GLN 105 Cb -0.02 0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.74 3fa0 h GLN 105 CO -0.07 1.09 0.00 0.00 -1.93 0.00 0.00 178.83 177.93 3fa0 n MET 106 N -4.15 4.22 0.00 1.69 0.00 -0.11 -5.11 117.12 113.65 3fa0 n MET 106 Ca -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 57.70 57.49 3fa0 n MET 106 Cb 0.59 -0.63 0.00 0.00 0.00 0.00 0.00 33.22 33.18 3fa0 n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3fa0 n GLY 107 N 0.65 -1.70 0.28 3.17 0.00 0.83 -4.16 105.19 104.25 3fa0 n GLY 107 Ca 0.00 -1.51 -0.06 0.00 0.00 0.00 0.00 46.02 44.45 3fa0 n GLY 107 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fa0 h GLU 108 N 0.00 0.94 -0.51 1.61 3.07 -1.93 -1.75 114.58 116.01 3fa0 h GLU 108 Ca 0.00 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 58.69 3fa0 h GLU 108 Cb 0.00 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.70 3fa0 h GLU 108 CO 0.00 0.70 0.08 1.15 -1.40 0.00 0.00 179.01 179.54 3fa0 h THR 109 N 0.92 1.25 -0.28 1.13 2.02 -1.96 0.30 112.91 116.29 3fa0 h THR 109 Ca 0.24 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 3fa0 h THR 109 Cb 0.03 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3fa0 h THR 109 CO -0.04 0.34 0.10 1.23 0.37 0.00 0.00 175.52 177.52 3fa0 h GLY 110 N 0.73 0.46 1.32 2.16 0.00 -1.64 -2.44 103.07 103.66 3fa0 h GLY 110 Ca 0.15 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 3fa0 h GLY 110 CO 0.01 0.24 -0.17 -2.08 0.00 0.00 0.00 176.54 174.54 3fa0 h VAL 111 N 0.30 1.27 0.00 4.60 2.07 -1.01 -2.14 116.25 121.34 3fa0 h VAL 111 Ca 0.09 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3fa0 h VAL 111 Cb 0.20 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3fa0 h VAL 111 CO -0.01 0.43 -0.01 0.00 0.02 0.00 0.00 177.57 178.00 3fa0 h ALA 112 N 1.10 1.08 0.00 1.67 0.00 -0.69 -1.19 119.26 121.24 3fa0 h ALA 112 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3fa0 h ALA 112 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3fa0 h ALA 112 CO 0.05 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.73 3fa0 n GLY 113 N -0.83 -1.13 1.90 0.00 0.00 -0.80 -3.90 105.19 100.42 3fa0 n GLY 113 Ca -0.02 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 3fa0 n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fa0 n PHE 114 N -1.46 0.04 -0.17 1.61 3.01 -0.45 -4.72 117.46 115.31 3fa0 n PHE 114 Ca 0.05 -1.40 -0.01 0.00 1.01 0.00 0.00 57.45 57.10 3fa0 n PHE 114 Cb 0.22 -1.35 0.08 0.00 -0.01 0.00 0.00 39.48 38.41 3fa0 n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3fa0 h THR 115 N 1.78 0.69 -0.20 4.37 2.02 -1.83 -0.15 112.91 119.59 3fa0 h THR 115 Ca 0.15 -0.08 -0.18 0.00 0.77 0.00 0.00 66.41 67.07 3fa0 h THR 115 Cb 1.39 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 3fa0 h THR 115 CO 0.20 0.04 -0.61 0.78 0.37 0.00 0.00 175.52 176.30 3fa0 h ASN 116 N 0.24 0.76 -0.69 4.18 2.35 -1.95 -1.67 115.58 118.81 3fa0 h ASN 116 Ca 0.27 -0.43 -0.07 0.00 -0.55 0.00 0.00 56.30 55.52 3fa0 h ASN 116 Cb 0.38 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 3fa0 h ASN 116 CO -0.36 1.19 0.17 0.28 -1.65 0.00 0.00 177.43 177.07 3fa0 h SER 117 N 0.50 1.04 -0.72 5.81 0.02 -1.71 -1.97 113.55 116.52 3fa0 h SER 117 Ca -0.00 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 3fa0 h SER 117 Cb 1.19 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 3fa0 h SER 117 CO 0.12 1.00 0.32 -0.07 -1.14 0.00 0.00 176.83 177.06 3fa0 h LEU 118 N 1.03 0.97 -0.28 5.07 3.38 -0.86 -0.40 115.31 124.22 3fa0 h LEU 118 Ca 0.22 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3fa0 h LEU 118 Cb 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3fa0 h LEU 118 CO 0.00 0.85 0.14 -0.09 0.09 0.00 0.00 178.44 179.43 3fa0 h ARG 119 N 1.02 0.40 -0.89 1.13 2.43 -1.08 -0.60 114.38 116.80 3fa0 h ARG 119 Ca 0.25 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 3fa0 h ARG 119 Cb 0.16 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 3fa0 h ARG 119 CO -0.03 0.37 0.52 0.52 -1.51 0.00 0.00 179.97 179.85 3fa0 h MET 120 N 0.32 1.21 -0.47 0.20 2.86 -0.93 -0.69 114.93 117.44 3fa0 h MET 120 Ca 0.10 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3fa0 h MET 120 Cb 0.10 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 3fa0 h MET 120 CO -0.01 0.86 0.31 -0.07 1.06 0.00 0.00 176.91 179.05 3fa0 h LEU 121 N 1.23 0.54 -1.36 1.22 3.38 -0.87 -1.33 115.31 118.12 3fa0 h LEU 121 Ca 0.32 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 3fa0 h LEU 121 Cb -0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3fa0 h LEU 121 CO -0.06 0.40 0.32 -0.61 0.09 0.00 0.00 178.44 178.58 3fa0 h GLN 122 N 0.63 0.75 0.00 1.13 4.15 -0.58 -1.39 115.11 119.80 3fa0 h GLN 122 Ca 0.17 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3fa0 h GLN 122 Cb -0.06 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.47 3fa0 h GLN 122 CO -0.04 0.54 0.00 1.04 -1.93 0.00 0.00 178.83 178.45 3fa0 n GLN 123 N -4.41 0.32 -3.01 1.69 6.02 -0.31 -4.92 117.38 112.77 3fa0 n GLN 123 Ca 0.05 0.02 -0.21 0.00 -0.01 0.00 0.00 57.00 56.85 3fa0 n GLN 123 Cb 0.09 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.88 3fa0 n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3fa0 n LYS 124 N -1.33 -4.81 -2.67 -1.09 5.02 -0.53 -4.92 118.16 107.84 3fa0 n LYS 124 Ca 0.12 0.86 -0.43 0.00 -2.02 0.00 0.00 58.31 56.84 3fa0 n LYS 124 Cb 0.25 -5.61 0.01 0.00 -0.02 0.00 0.00 35.03 29.65 3fa0 n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3fa0 n ARG 125 N -3.89 3.86 -0.15 1.97 1.74 -0.59 -4.88 116.66 114.73 3fa0 n ARG 125 Ca -0.10 -3.94 -0.12 0.00 -0.77 0.00 0.00 57.85 52.93 3fa0 n ARG 125 Cb 0.61 -2.78 -0.01 0.00 -1.02 0.00 0.00 32.46 29.26 3fa0 n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3fa0 h TRP 126 N 5.84 1.03 -0.47 -1.55 -0.00 -1.89 0.93 115.95 119.84 3fa0 h TRP 126 Ca 0.31 -0.25 -0.12 0.00 -0.00 0.00 0.00 58.89 58.84 3fa0 h TRP 126 Cb 0.66 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 29.57 3fa0 h TRP 126 CO 1.13 1.03 -0.17 -0.44 -0.00 0.00 0.00 178.44 179.99 3fa0 h ASP 127 N 0.73 0.96 -0.50 -3.49 5.19 -1.90 -1.32 116.42 116.10 3fa0 h ASP 127 Ca 0.10 -0.38 -0.04 0.00 -0.62 0.00 0.00 57.03 56.09 3fa0 h ASP 127 Cb 0.75 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 3fa0 h ASP 127 CO 0.06 1.13 0.16 -0.33 -3.12 0.00 0.00 179.24 177.14 3fa0 h GLU 128 N 0.79 0.77 -0.65 3.56 5.08 -1.92 -1.84 114.58 120.38 3fa0 h GLU 128 Ca 0.11 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3fa0 h GLU 128 Cb 0.74 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 3fa0 h GLU 128 CO 0.06 0.72 0.40 0.00 -1.00 0.00 0.00 179.01 179.19 3fa0 h ALA 129 N 1.01 0.82 -0.77 3.43 0.00 -0.64 -1.56 119.26 121.57 3fa0 h ALA 129 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3fa0 h ALA 129 Cb 0.27 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3fa0 h ALA 129 CO -0.01 0.29 0.43 0.00 0.00 0.00 0.00 179.25 179.97 3fa0 h ALA 130 N 1.21 0.98 -0.56 0.00 0.00 -0.94 0.57 119.26 120.51 3fa0 h ALA 130 Ca 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3fa0 h ALA 130 Cb -0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3fa0 h ALA 130 CO -0.05 0.48 0.28 0.28 0.00 0.00 0.00 179.25 180.25 3fa0 h VAL 131 N 1.06 1.20 -0.45 0.00 2.07 -1.08 -2.95 116.25 116.09 3fa0 h VAL 131 Ca 0.27 -0.54 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 3fa0 h VAL 131 Cb 0.01 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3fa0 h VAL 131 CO -0.05 0.22 -0.14 -1.13 0.02 0.00 0.00 177.57 176.50 3fa0 h ASN 132 N 0.76 0.89 -0.68 0.57 -0.73 -0.76 -2.96 115.58 112.66 3fa0 h ASN 132 Ca 0.19 -0.37 0.07 0.00 1.87 0.00 0.00 56.30 58.06 3fa0 h ASN 132 Cb 0.09 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 38.40 3fa0 h ASN 132 CO -0.03 1.06 0.45 -0.07 -0.37 0.00 0.00 177.43 178.47 3fa0 h LEU 133 N 0.72 0.58 -0.58 0.34 3.38 -0.82 -2.17 115.31 116.75 3fa0 h LEU 133 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3fa0 h LEU 133 Cb 0.69 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3fa0 h LEU 133 CO 0.05 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.95 3fa0 h ALA 134 N 1.64 1.00 -0.53 1.53 0.00 -1.35 -3.36 119.26 118.19 3fa0 h ALA 134 Ca 0.30 0.00 -0.74 0.00 0.00 0.00 0.00 54.91 54.47 3fa0 h ALA 134 Cb 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 3fa0 h ALA 134 CO -0.10 0.00 2.52 1.63 0.00 0.00 0.00 179.25 183.30 3fa0 n LYS 135 N -2.38 3.40 -3.60 0.00 5.02 -0.82 -4.67 118.16 115.11 3fa0 n LYS 135 Ca 0.03 -3.14 -0.16 0.00 -2.02 0.00 0.00 58.31 53.02 3fa0 n LYS 135 Cb 0.30 -3.03 -0.06 0.00 -0.02 0.00 0.00 35.03 32.21 3fa0 n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3fa0 s SER 136 N 1.71 -0.48 0.25 4.39 1.04 -1.26 -5.01 113.70 114.34 3fa0 s SER 136 Ca 0.44 0.40 -0.03 0.00 0.48 0.00 0.00 55.95 57.24 3fa0 s SER 136 Cb 0.12 0.47 0.45 0.00 0.10 0.00 0.00 66.02 67.15 3fa0 s SER 136 CO -0.04 -0.60 1.80 -0.09 0.98 0.00 0.00 173.24 175.29 3fa0 h ARG 137 N 3.17 0.72 -0.34 4.02 2.43 -1.93 -2.36 114.38 120.09 3fa0 h ARG 137 Ca -0.29 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 58.90 3fa0 h ARG 137 Cb 1.17 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.47 3fa0 h ARG 137 CO 0.40 0.48 -0.41 2.35 -1.51 0.00 0.00 179.97 181.28 3fa0 h TRP 138 N 0.74 -1.17 -0.25 2.20 7.01 -1.95 0.10 115.95 122.64 3fa0 h TRP 138 Ca 0.42 0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.48 3fa0 h TRP 138 Cb 0.46 0.56 -0.01 0.00 -2.10 0.00 0.00 29.16 28.07 3fa0 h TRP 138 CO -0.07 -0.44 0.15 -0.92 -2.79 0.00 0.00 178.44 174.37 3fa0 h TYR 139 N -0.35 0.32 -0.26 2.65 5.03 -1.75 -1.09 116.97 121.52 3fa0 h TYR 139 Ca 0.13 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.37 3fa0 h TYR 139 Cb 0.58 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.74 3fa0 h TYR 139 CO -0.57 0.25 -0.12 -0.91 -1.32 0.00 0.00 178.16 175.48 3fa0 h ASN 140 N 0.31 0.42 0.58 -2.11 4.21 -0.85 -1.52 115.58 116.61 3fa0 h ASN 140 Ca 0.09 -0.10 -0.28 0.00 1.21 0.00 0.00 56.30 57.21 3fa0 h ASN 140 Cb 0.02 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.09 3fa0 h ASN 140 CO -0.02 0.57 -1.43 1.56 -1.29 0.00 0.00 177.43 176.83 3fa0 h GLN 141 N 0.41 0.17 -2.10 0.81 1.08 -0.67 -3.39 115.11 111.41 3fa0 h GLN 141 Ca 0.08 -0.29 -0.58 0.00 -1.45 0.00 0.00 58.65 56.41 3fa0 h GLN 141 Cb 0.46 0.11 -0.41 0.00 -0.05 0.00 0.00 27.48 27.59 3fa0 h GLN 141 CO 0.03 1.02 -0.85 0.25 -0.95 0.00 0.00 178.83 178.32 3fa0 n THR 142 N -3.38 0.95 -0.12 -0.54 -2.24 -0.43 -4.99 114.28 103.53 3fa0 n THR 142 Ca -0.13 -4.69 -0.10 0.00 -2.27 0.00 0.00 64.05 56.87 3fa0 n THR 142 Cb 1.02 -1.89 0.04 0.00 -2.10 0.00 0.00 70.33 67.40 3fa0 n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3fa0 h PRO 143 N 3.96 0.88 -0.40 -0.78 0.13 -1.48 -0.82 132.00 133.49 3fa0 h PRO 143 Ca 0.13 -0.38 -0.08 0.00 -0.87 0.00 0.00 66.00 64.81 3fa0 h PRO 143 Cb 0.76 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 3fa0 h PRO 143 CO 0.66 1.02 -0.05 -0.91 -0.23 0.00 0.00 178.00 178.49 3fa0 h ASN 144 N 0.75 0.74 -0.22 1.44 2.35 -1.94 0.11 115.58 118.82 3fa0 h ASN 144 Ca 0.10 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.47 3fa0 h ASN 144 Cb 0.80 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3fa0 h ASN 144 CO 0.07 0.91 -0.02 -0.09 -1.65 0.00 0.00 177.43 176.65 3fa0 h ARG 145 N 0.56 0.39 -0.97 0.81 2.43 -1.95 -2.57 114.38 113.08 3fa0 h ARG 145 Ca 0.11 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3fa0 h ARG 145 Cb 0.56 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 3fa0 h ARG 145 CO 0.03 0.60 0.64 0.00 -1.51 0.00 0.00 179.97 179.73 3fa0 h ALA 146 N 0.78 1.26 -0.98 2.80 0.00 -1.04 -1.38 119.26 120.70 3fa0 h ALA 146 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fa0 h ALA 146 Cb 0.43 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3fa0 h ALA 146 CO 0.01 0.57 0.62 0.87 0.00 0.00 0.00 179.25 181.33 3fa0 h LYS 147 N 1.27 1.31 -0.39 0.00 1.57 -0.67 0.18 116.57 119.84 3fa0 h LYS 147 Ca 0.37 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3fa0 h LYS 147 Cb -0.08 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 31.93 3fa0 h LYS 147 CO -0.10 0.89 0.19 0.00 -0.57 0.00 0.00 179.45 179.86 3fa0 h ARG 148 N 1.34 0.56 -0.39 3.15 3.08 -0.96 -0.09 114.38 121.07 3fa0 h ARG 148 Ca 0.36 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.28 3fa0 h ARG 148 Cb -0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3fa0 h ARG 148 CO -0.07 0.49 0.06 0.28 -1.07 0.00 0.00 179.97 179.66 3fa0 h VAL 149 N 0.49 1.24 -0.68 2.04 2.07 -0.85 -2.04 116.25 118.52 3fa0 h VAL 149 Ca 0.13 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 3fa0 h VAL 149 Cb 0.12 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3fa0 h VAL 149 CO -0.02 0.30 0.25 0.40 0.02 0.00 0.00 177.57 178.52 3fa0 h ILE 150 N 0.50 1.25 -0.68 4.57 2.04 -0.55 -1.31 117.51 123.32 3fa0 h ILE 150 Ca 0.12 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.18 3fa0 h ILE 150 Cb 0.38 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3fa0 h ILE 150 CO 0.01 0.32 0.45 0.74 0.00 0.00 0.00 178.15 179.66 3fa0 h THR 151 N 0.98 1.18 -0.39 -0.27 2.02 -0.81 0.18 112.91 115.80 3fa0 h THR 151 Ca 0.22 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 3fa0 h THR 151 Cb 0.25 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 3fa0 h THR 151 CO -0.01 0.17 0.13 0.74 0.37 0.00 0.00 175.52 176.92 3fa0 h THR 152 N 0.92 1.21 -0.51 3.16 2.02 -0.82 -0.75 112.91 118.13 3fa0 h THR 152 Ca 0.25 -0.68 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 3fa0 h THR 152 Cb -0.10 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3fa0 h THR 152 CO -0.05 0.24 0.06 -0.26 0.37 0.00 0.00 175.52 175.87 3fa0 h PHE 153 N 0.48 0.86 -0.36 3.16 0.04 -0.58 0.96 116.94 121.49 3fa0 h PHE 153 Ca 0.13 -0.10 -0.13 0.00 2.80 0.00 0.00 57.97 60.67 3fa0 h PHE 153 Cb 0.24 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3fa0 h PHE 153 CO 0.01 0.76 -0.27 -0.09 -0.60 0.00 0.00 178.31 178.12 3fa0 h ARG 154 N 0.77 0.82 0.00 1.51 2.43 -0.28 -3.37 114.38 116.26 3fa0 h ARG 154 Ca 0.16 -0.40 -0.10 0.00 -0.81 0.00 0.00 59.98 58.83 3fa0 h ARG 154 Cb 0.39 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 3fa0 h ARG 154 CO 0.01 1.03 -1.88 0.25 -1.51 0.00 0.00 179.97 177.87 3fa0 n THR 155 N -4.20 0.39 -1.82 0.20 -2.24 -0.32 -4.78 114.28 101.51 3fa0 n THR 155 Ca -0.02 -0.49 -0.16 0.00 -2.27 0.00 0.00 64.05 61.11 3fa0 n THR 155 Cb 0.47 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 3fa0 n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fa0 n GLY 156 N 1.72 0.80 3.53 3.38 0.00 0.33 -5.00 105.19 109.96 3fa0 n GLY 156 Ca -0.11 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 3fa0 n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fa0 s THR 157 N -2.68 1.66 -0.42 2.61 -4.23 -1.26 -4.79 115.64 106.53 3fa0 s THR 157 Ca 0.00 -2.02 0.11 0.00 -1.18 0.00 0.00 61.69 58.61 3fa0 s THR 157 Cb 0.00 -2.86 0.67 0.00 1.34 0.00 0.00 72.50 71.64 3fa0 s THR 157 CO 0.00 -0.03 1.51 0.79 -0.54 0.00 0.00 174.62 176.35 3fa0 n TRP 158 N -0.82 1.68 0.03 3.99 7.02 -1.26 -4.51 117.44 123.57 3fa0 n TRP 158 Ca -0.04 -0.58 0.11 0.00 -1.02 0.00 0.00 57.50 55.97 3fa0 n TRP 158 Cb 0.66 -0.43 0.56 0.00 -2.42 0.00 0.00 31.31 29.68 3fa0 n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3fa0 h ASP 159 N 3.25 0.23 0.94 -0.99 3.32 -1.96 -0.64 116.42 120.56 3fa0 h ASP 159 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fa0 h ASP 159 Cb 1.69 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.19 3fa0 h ASP 159 CO 0.39 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 3fa0 n ALA 160 N -2.54 2.07 0.23 3.45 0.00 -1.26 -3.65 120.51 118.81 3fa0 n ALA 160 Ca 0.06 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.48 3fa0 n ALA 160 Cb 0.30 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 3fa0 n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fa0 n TYR 161 N -1.74 0.00 1.65 0.00 4.02 -0.33 -4.95 117.16 115.80 3fa0 n TYR 161 Ca 0.05 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.07 3fa0 n TYR 161 Cb 0.30 -0.04 0.78 0.00 -0.02 0.00 0.00 39.34 40.36 3fa0 n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48