#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o68 s LEU 1 N 0.00 4.26 -0.25 1.04 2.96 -1.26 -4.73 118.68 120.70 1o68 s LEU 1 Ca 0.00 2.44 -0.26 0.00 -0.22 0.00 0.00 54.13 56.09 1o68 s LEU 1 Cb 0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.16 1o68 s LEU 1 CO 0.00 -1.16 0.90 -0.63 -1.32 0.00 0.00 176.35 174.15 1o68 s ILE 2 N 4.90 4.76 0.51 6.68 -1.09 0.00 -4.95 121.20 132.02 1o68 s ILE 2 Ca 0.86 1.68 0.01 0.00 -2.23 0.00 0.00 60.65 60.97 1o68 s ILE 2 Cb -0.39 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.28 1o68 s ILE 2 CO 0.38 -0.15 0.01 0.42 -1.23 0.00 0.00 174.94 174.37 1o68 s THR 3 N 3.02 1.08 0.28 2.92 -4.23 -1.26 -4.92 115.64 112.52 1o68 s THR 3 Ca 0.38 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.90 1o68 s THR 3 Cb -0.15 -2.13 0.08 0.00 1.34 0.00 0.00 72.50 71.65 1o68 s THR 3 CO 0.08 0.00 1.74 0.58 -0.54 0.00 0.00 174.62 176.48 1o68 h VAL 4 N 1.35 1.25 -0.83 2.29 2.07 -1.97 -2.30 116.25 118.11 1o68 h VAL 4 Ca -0.43 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 1o68 h VAL 4 Cb 1.32 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 1o68 h VAL 4 CO 0.73 0.38 0.46 0.78 0.02 0.00 0.00 177.57 179.94 1o68 h ASN 5 N 0.51 1.04 -0.23 0.57 -0.26 -1.99 -1.22 115.58 114.00 1o68 h ASN 5 Ca 0.08 -0.10 0.02 0.00 -0.56 0.00 0.00 56.30 55.75 1o68 h ASN 5 Cb 0.60 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.57 1o68 h ASN 5 CO 0.04 0.84 0.09 0.74 -1.06 0.00 0.00 177.43 178.08 1o68 h THR 6 N 1.16 0.95 -0.82 2.81 2.02 -1.80 0.88 112.91 118.11 1o68 h THR 6 Ca 0.29 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.41 1o68 h THR 6 Cb 0.03 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1o68 h THR 6 CO -0.05 0.04 0.51 -0.07 0.37 0.00 0.00 175.52 176.32 1o68 h LEU 7 N 0.20 0.97 -0.51 2.58 3.38 -1.15 -2.27 115.31 118.51 1o68 h LEU 7 Ca 0.10 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1o68 h LEU 7 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1o68 h LEU 7 CO -0.10 0.73 -0.16 1.56 0.09 0.00 0.00 178.44 180.56 1o68 h GLN 8 N 1.13 1.00 -1.22 1.13 4.20 -0.65 -1.00 115.11 119.69 1o68 h GLN 8 Ca 0.30 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1o68 h GLN 8 Cb -0.07 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1o68 h GLN 8 CO -0.06 1.08 0.00 1.63 -0.67 0.00 0.00 178.83 180.81 1o68 n LYS 9 N -4.14 0.16 0.00 1.46 5.02 0.25 -1.96 118.16 118.94 1o68 n LYS 9 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1o68 n LYS 9 Cb 0.43 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1o68 n LYS 9 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1o68 n LYS 11 N 0.74 0.00 -0.05 1.97 4.81 -0.38 -1.44 118.16 123.80 1o68 n LYS 11 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1o68 n LYS 11 Cb 0.06 0.00 0.31 0.00 0.02 0.00 0.00 35.03 35.43 1o68 n LYS 11 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1o68 h ALA 12 N 0.00 1.46 0.00 3.14 0.00 -1.67 -2.09 119.26 120.09 1o68 h ALA 12 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1o68 h ALA 12 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1o68 h ALA 12 CO 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 179.25 179.64 1o68 h ALA 13 N 1.55 0.99 0.00 0.00 0.00 -1.51 -3.47 119.26 116.82 1o68 h ALA 13 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1o68 h ALA 13 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1o68 h ALA 13 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1o68 n GLY 14 N 1.11 0.61 3.63 0.00 0.00 -0.79 -5.02 105.19 104.74 1o68 n GLY 14 Ca 0.04 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1o68 n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1o68 s GLU 15 N -0.94 4.14 0.19 1.61 2.12 -1.26 -5.01 118.70 119.55 1o68 s GLU 15 Ca 0.00 0.67 -0.31 0.00 0.36 0.00 0.00 54.97 55.70 1o68 s GLU 15 Cb 0.00 -3.64 -0.09 0.00 0.26 0.00 0.00 34.13 30.66 1o68 s GLU 15 CO 0.00 -0.43 1.42 0.15 -0.54 0.00 0.00 175.26 175.86 1o68 s LYS 16 N 2.56 4.30 -0.10 4.30 -0.14 -1.26 -4.49 119.74 124.91 1o68 s LYS 16 Ca 0.29 2.20 -0.21 0.00 -1.36 0.00 0.00 55.97 56.89 1o68 s LYS 16 Cb -0.15 -3.17 -0.04 0.00 -1.68 0.00 0.00 37.83 32.79 1o68 s LYS 16 CO 0.08 -0.41 0.58 0.42 -0.76 0.00 0.00 175.35 175.26 1o68 s ILE 17 N 0.47 5.12 0.33 2.17 1.01 -0.48 -4.68 121.20 125.15 1o68 s ILE 17 Ca 0.62 1.17 0.06 0.00 0.00 0.00 0.00 60.65 62.50 1o68 s ILE 17 Cb -0.40 -3.92 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1o68 s ILE 17 CO 0.37 0.28 0.47 0.00 0.00 0.00 0.00 174.94 176.06 1o68 s ALA 18 N 0.78 4.19 0.00 9.38 0.00 -1.26 -1.22 121.76 133.64 1o68 s ALA 18 Ca 0.31 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1o68 s ALA 18 Cb -0.16 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.25 1o68 s ALA 18 CO 0.14 -0.03 0.00 1.28 0.00 0.00 0.00 175.76 177.14 1o68 n LEU 20 N -1.65 0.00 -4.84 0.00 4.77 -1.26 -1.27 117.00 112.75 1o68 n LEU 20 Ca -0.01 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.65 1o68 n LEU 20 Cb 0.58 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 1o68 n LEU 20 CO 0.42 0.00 0.62 0.42 -1.33 0.00 0.00 177.39 177.53 1o68 s THR 21 N -2.00 4.56 -0.17 -5.08 -4.23 -1.10 -0.33 115.64 107.28 1o68 s THR 21 Ca 0.00 1.15 -0.09 0.00 -1.18 0.00 0.00 61.69 61.57 1o68 s THR 21 Cb 0.00 -3.70 0.06 0.00 1.34 0.00 0.00 72.50 70.20 1o68 s THR 21 CO 0.00 -0.58 0.41 0.00 -0.54 0.00 0.00 174.62 173.91 1o68 s ALA 22 N -2.48 -1.05 0.00 3.99 0.00 -0.24 -4.75 121.76 117.23 1o68 s ALA 22 Ca 0.58 1.53 0.00 0.00 0.00 0.00 0.00 51.96 54.07 1o68 s ALA 22 Cb -0.10 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1o68 s ALA 22 CO 0.28 -0.26 0.10 0.66 0.00 0.00 0.00 175.76 176.53 1o68 n TYR 23 N 4.25 0.00 -4.32 0.00 4.02 -1.26 -3.97 117.16 115.88 1o68 n TYR 23 Ca -0.23 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.49 1o68 n TYR 23 Cb 0.55 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.77 1o68 n TYR 23 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1o68 s GLU 24 N -0.65 1.31 0.10 -0.72 2.02 -1.26 -4.62 118.70 114.88 1o68 s GLU 24 Ca 0.00 -1.66 -0.11 0.00 0.02 0.00 0.00 54.97 53.23 1o68 s GLU 24 Cb 0.00 -0.57 -0.18 0.00 0.10 0.00 0.00 34.13 33.48 1o68 s GLU 24 CO 0.00 -0.10 1.24 1.03 0.02 0.00 0.00 175.26 177.45 1o68 h SER 25 N 2.50 0.80 -0.07 -0.19 0.87 -1.87 -2.26 113.55 113.33 1o68 h SER 25 Ca -0.38 -0.62 -0.00 0.00 -1.23 0.00 0.00 61.79 59.55 1o68 h SER 25 Cb 1.22 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1o68 h SER 25 CO 0.64 1.42 0.02 0.28 -0.53 0.00 0.00 176.83 178.67 1o68 h SER 26 N 0.36 0.09 -0.39 6.23 0.02 -1.95 -0.85 113.55 117.06 1o68 h SER 26 Ca -0.11 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.60 1o68 h SER 26 Cb 1.63 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 64.12 1o68 h SER 26 CO 0.19 0.24 0.01 -0.26 -1.14 0.00 0.00 176.83 175.87 1o68 h PHE 27 N -0.06 0.81 -0.48 3.45 -1.00 -2.00 -2.02 116.94 115.64 1o68 h PHE 27 Ca 0.02 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 1o68 h PHE 27 Cb 0.18 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 1o68 h PHE 27 CO -0.01 0.74 0.25 0.00 -1.61 0.00 0.00 178.31 177.68 1o68 h ALA 28 N 1.30 0.62 -0.72 2.45 0.00 -0.93 -2.78 119.26 119.20 1o68 h ALA 28 Ca 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1o68 h ALA 28 Cb 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1o68 h ALA 28 CO 0.02 0.17 0.28 0.00 0.00 0.00 0.00 179.25 179.71 1o68 h ALA 29 N 1.09 0.93 0.00 0.00 0.00 -0.91 -0.74 119.26 119.63 1o68 h ALA 29 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1o68 h ALA 29 Cb 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1o68 h ALA 29 CO -0.02 0.56 0.00 -0.11 0.00 0.00 0.00 179.25 179.68 1o68 n LEU 30 N -4.35 0.07 0.00 0.00 0.00 -0.78 -0.80 117.00 111.14 1o68 n LEU 30 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 56.01 56.03 1o68 n LEU 30 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 43.42 43.57 1o68 n LEU 30 CO 0.40 0.02 0.00 -0.67 0.00 0.00 0.00 177.39 177.14 1o68 n ASP 32 N 0.33 0.00 0.22 1.96 4.64 -0.29 -0.96 116.55 122.45 1o68 n ASP 32 Ca 0.00 0.00 0.08 0.00 -1.38 0.00 0.00 54.79 53.49 1o68 n ASP 32 Cb 0.02 0.00 0.47 0.00 -1.04 0.00 0.00 41.12 40.57 1o68 n ASP 32 CO 0.00 0.00 0.00 -0.78 -0.82 0.00 0.00 177.20 175.60 1o68 h ASP 33 N 0.00 0.00 0.03 1.67 1.82 -1.22 -2.60 116.42 116.12 1o68 h ASP 33 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1o68 h ASP 33 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1o68 h ASP 33 CO 0.00 0.27 -0.01 0.00 -1.61 0.00 0.00 179.24 177.89 1o68 n ALA 34 N -2.29 2.66 0.00 -0.78 0.00 -0.14 -4.89 120.51 115.08 1o68 n ALA 34 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1o68 n ALA 34 Cb 0.41 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1o68 n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o68 n GLY 35 N 1.06 0.81 3.71 0.00 0.00 -0.98 -4.52 105.19 105.27 1o68 n GLY 35 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1o68 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o68 s VAL 36 N -2.00 3.43 -0.43 1.61 1.01 -1.26 -4.85 120.40 117.92 1o68 s VAL 36 Ca 0.00 0.99 0.05 0.00 0.00 0.00 0.00 61.98 63.02 1o68 s VAL 36 Cb 0.00 -3.63 0.40 0.00 0.00 0.00 0.00 36.38 33.15 1o68 s VAL 36 CO 0.00 0.06 1.32 -0.62 0.00 0.00 0.00 175.10 175.86 1o68 n GLU 37 N 4.33 2.43 -3.30 2.72 1.02 -0.39 -4.55 120.64 122.89 1o68 n GLU 37 Ca 0.12 -1.65 0.03 0.00 -0.02 0.00 0.00 57.16 55.63 1o68 n GLU 37 Cb 0.43 -1.78 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 1o68 n GLU 37 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1o68 s LEU 39 N -1.61 -1.23 -0.46 -4.62 1.43 -1.26 -4.61 118.68 106.32 1o68 s LEU 39 Ca 0.30 1.03 -0.19 0.00 -1.03 0.00 0.00 54.13 54.24 1o68 s LEU 39 Cb 0.24 2.13 0.04 0.00 0.03 0.00 0.00 46.19 48.63 1o68 s LEU 39 CO 0.07 -0.23 0.58 -0.22 0.23 0.00 0.00 176.35 176.78 1o68 s LEU 40 N 2.86 4.79 -1.06 1.79 2.96 0.55 -0.54 118.68 130.02 1o68 s LEU 40 Ca 0.11 -0.66 -0.21 0.00 -0.22 0.00 0.00 54.13 53.15 1o68 s LEU 40 Cb -0.13 -2.52 0.07 0.00 0.50 0.00 0.00 46.19 44.10 1o68 s LEU 40 CO -0.20 -0.77 1.44 -0.69 -1.32 0.00 0.00 176.35 174.82 1o68 s VAL 41 N 2.55 4.13 0.40 1.68 1.01 0.33 -1.08 120.40 129.42 1o68 s VAL 41 Ca 0.17 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1o68 s VAL 41 Cb -0.17 -5.03 -0.03 0.00 0.00 0.00 0.00 36.38 31.15 1o68 s VAL 41 CO 0.15 -1.87 0.63 -0.83 0.00 0.00 0.00 175.10 173.18 1o68 s GLY 42 N 4.54 1.41 0.00 4.51 0.00 -1.26 -1.63 107.32 114.90 1o68 s GLY 42 Ca 0.45 -0.82 0.22 0.00 0.00 0.00 0.00 44.72 44.57 1o68 s GLY 42 CO -0.07 -0.72 1.71 2.09 0.00 0.00 0.00 173.10 176.11 1o68 n ASP 43 N -1.96 0.00 0.28 1.64 5.75 -1.26 -1.40 116.55 119.60 1o68 n ASP 43 Ca -0.03 -0.38 0.17 0.00 -0.01 0.00 0.00 54.79 54.54 1o68 n ASP 43 Cb 0.56 -0.14 0.89 0.00 -1.03 0.00 0.00 41.12 41.40 1o68 n ASP 43 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1o68 h SER 44 N 0.00 0.00 0.28 -1.12 4.64 -1.94 0.28 113.55 115.70 1o68 h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1o68 h SER 44 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1o68 h SER 44 CO 0.00 0.00 0.00 0.17 -0.87 0.00 0.00 176.83 176.13 1o68 h LEU 45 N 0.00 0.00 0.00 5.97 8.10 -1.64 -1.77 115.31 125.97 1o68 h LEU 45 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1o68 h LEU 45 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.43 1o68 h LEU 45 CO 0.00 0.00 0.00 0.61 -4.11 0.00 0.00 178.44 174.94 1o68 n GLY 46 N -0.78 -0.02 0.00 0.17 0.00 0.98 -0.76 105.19 104.78 1o68 n GLY 46 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1o68 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o68 n ALA 48 N -0.62 0.00 -0.10 4.61 0.00 -0.67 -0.89 120.51 122.85 1o68 n ALA 48 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1o68 n ALA 48 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1o68 n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1o68 n VAL 49 N 0.00 1.14 0.39 0.00 0.31 0.06 -4.67 118.33 115.56 1o68 n VAL 49 Ca 0.00 -0.35 0.12 0.00 -0.01 0.00 0.00 64.34 64.10 1o68 n VAL 49 Cb 0.00 -1.55 0.17 0.00 -0.91 0.00 0.00 33.84 31.54 1o68 n VAL 49 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1o68 h GLN 50 N -0.46 0.00 -0.29 5.55 4.20 -1.03 -3.48 115.11 119.60 1o68 h GLN 50 Ca -0.49 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.09 1o68 h GLN 50 Cb 1.55 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.28 1o68 h GLN 50 CO -0.22 0.00 -0.11 0.41 -0.67 0.00 0.00 178.83 178.23 1o68 n GLY 51 N 1.25 0.85 3.86 3.46 0.00 -1.09 -5.03 105.19 108.49 1o68 n GLY 51 Ca 0.03 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 1o68 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1o68 s ARG 52 N -2.34 1.19 0.20 1.61 0.52 -0.06 -5.00 118.95 115.07 1o68 s ARG 52 Ca 0.00 -0.00 0.24 0.00 -0.52 0.00 0.00 55.73 55.45 1o68 s ARG 52 Cb 0.00 -1.87 0.40 0.00 0.52 0.00 0.00 34.95 34.00 1o68 s ARG 52 CO 0.00 -2.11 1.42 0.87 0.02 0.00 0.00 175.30 175.51 1o68 h LYS 53 N -1.43 0.00 -3.92 3.54 1.57 -1.96 -3.47 116.57 110.90 1o68 h LYS 53 Ca -0.47 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.11 1o68 h LYS 53 Cb 1.30 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.54 1o68 h LYS 53 CO 0.55 0.00 -0.14 -1.54 -0.57 0.00 0.00 179.45 177.76 1o68 s SER 54 N -4.75 0.62 0.00 0.86 1.04 -1.26 -5.03 113.70 105.17 1o68 s SER 54 Ca 0.06 -1.35 0.26 0.00 0.48 0.00 0.00 55.95 55.40 1o68 s SER 54 Cb 0.11 0.66 0.58 0.00 0.10 0.00 0.00 66.02 67.48 1o68 s SER 54 CO 0.70 -1.30 1.46 0.35 0.98 0.00 0.00 173.24 175.42 1o68 n THR 55 N -0.52 0.00 -0.32 2.02 -2.24 -1.26 -4.52 114.28 107.44 1o68 n THR 55 Ca -0.01 -0.27 -0.04 0.00 -2.27 0.00 0.00 64.05 61.45 1o68 n THR 55 Cb 0.62 0.84 0.08 0.00 -2.10 0.00 0.00 70.33 69.76 1o68 n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1o68 h LEU 56 N 2.59 1.08 0.00 3.22 4.07 -1.91 -2.71 115.31 121.64 1o68 h LEU 56 Ca 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.85 1o68 h LEU 56 Cb 0.66 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1o68 h LEU 56 CO 0.00 0.89 0.00 -2.65 -1.08 0.00 0.00 178.44 175.60 1o68 n PRO 57 N -4.35 0.17 -2.04 1.13 -0.02 -1.26 -4.64 135.00 123.99 1o68 n PRO 57 Ca 0.09 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 1o68 n PRO 57 Cb 0.11 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 1o68 n PRO 57 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1o68 s VAL 58 N -2.63 2.78 0.35 -1.45 1.01 -1.02 -5.01 120.40 114.44 1o68 s VAL 58 Ca 0.12 0.63 0.07 0.00 0.00 0.00 0.00 61.98 62.80 1o68 s VAL 58 Cb 0.09 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 1o68 s VAL 58 CO 0.21 0.08 0.43 -0.94 0.00 0.00 0.00 175.10 174.89 1o68 s SER 59 N 0.57 5.70 0.24 3.32 1.04 -1.26 -4.45 113.70 118.86 1o68 s SER 59 Ca 0.61 -0.33 -0.07 0.00 0.48 0.00 0.00 55.95 56.65 1o68 s SER 59 Cb -0.41 -1.05 0.23 0.00 0.10 0.00 0.00 66.02 64.90 1o68 s SER 59 CO 0.39 -0.47 1.89 0.25 0.98 0.00 0.00 173.24 176.29 1o68 h LEU 60 N 0.96 1.14 -0.49 2.42 5.85 -1.92 -1.97 115.31 121.29 1o68 h LEU 60 Ca -0.44 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.28 1o68 h LEU 60 Cb 1.26 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1o68 h LEU 60 CO 0.53 0.87 0.19 -0.09 -0.34 0.00 0.00 178.44 179.60 1o68 h ARG 61 N 1.31 0.36 -0.60 1.25 2.43 -2.02 -0.98 114.38 116.14 1o68 h ARG 61 Ca 0.34 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1o68 h ARG 61 Cb -0.07 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1o68 h ARG 61 CO -0.07 0.24 0.00 -0.25 -1.51 0.00 0.00 179.97 178.38 1o68 n ASP 62 N -4.99 0.00 0.00 -3.80 8.00 -0.74 -1.53 116.55 113.49 1o68 n ASP 62 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1o68 n ASP 62 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1o68 n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1o68 h TYR 65 N 0.00 -0.04 -0.31 0.00 3.20 -1.53 -1.54 116.97 116.74 1o68 h TYR 65 Ca 0.00 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1o68 h TYR 65 Cb 0.00 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1o68 h TYR 65 CO 0.00 0.21 -0.19 0.45 -1.64 0.00 0.00 178.16 176.99 1o68 h HIS 66 N -0.29 0.64 -0.57 -3.82 3.86 -1.56 -1.88 115.15 111.53 1o68 h HIS 66 Ca -0.00 -0.12 0.01 0.00 -1.16 0.00 0.00 60.37 59.09 1o68 h HIS 66 Cb 0.27 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 1o68 h HIS 66 CO 0.01 0.73 0.37 1.15 0.86 0.00 0.00 177.93 181.06 1o68 h THR 67 N 0.52 1.14 -0.58 2.45 2.02 -1.78 -0.90 112.91 115.78 1o68 h THR 67 Ca 0.08 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1o68 h THR 67 Cb 0.62 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1o68 h THR 67 CO 0.04 0.14 0.25 -0.33 0.37 0.00 0.00 175.52 176.00 1o68 h GLU 68 N 0.76 0.85 0.23 6.66 5.08 -1.09 -0.74 114.58 126.33 1o68 h GLU 68 Ca 0.21 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1o68 h GLU 68 Cb -0.07 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1o68 h GLU 68 CO -0.05 0.71 -0.17 0.00 -1.00 0.00 0.00 179.01 178.50 1o68 h VAL 70 N -0.40 1.17 0.00 0.00 2.07 -1.11 -0.84 116.25 117.14 1o68 h VAL 70 Ca -0.02 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1o68 h VAL 70 Cb 0.35 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1o68 h VAL 70 CO 0.00 0.22 -0.01 0.00 0.02 0.00 0.00 177.57 177.79 1o68 h ALA 71 N 1.38 1.56 0.00 1.67 0.00 -1.03 0.40 119.26 123.25 1o68 h ALA 71 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1o68 h ALA 71 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1o68 h ALA 71 CO -0.12 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.15 1o68 h ARG 72 N 0.00 0.00 0.00 0.00 3.08 -0.95 -3.32 114.38 113.20 1o68 h ARG 72 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1o68 h ARG 72 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1o68 h ARG 72 CO 0.00 0.00 -1.97 0.41 -1.07 0.00 0.00 179.97 177.34 1o68 n GLY 73 N 1.20 -0.77 3.76 0.04 0.00 0.00 -5.02 105.19 104.41 1o68 n GLY 73 Ca 0.05 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1o68 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o68 s ALA 74 N -2.63 3.12 0.00 4.61 0.00 -0.43 -3.63 121.76 122.80 1o68 s ALA 74 Ca -0.07 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1o68 s ALA 74 Cb 0.07 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1o68 s ALA 74 CO 0.65 -1.00 0.00 1.63 0.00 0.00 0.00 175.76 177.05 1o68 n LYS 75 N -0.27 0.00 -0.07 0.00 4.76 -1.26 -4.95 118.16 116.36 1o68 n LYS 75 Ca 0.06 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.40 1o68 n LYS 75 Cb 0.44 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.48 1o68 n LYS 75 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1o68 n ASN 76 N -2.24 0.37 0.00 4.39 3.02 -1.26 -4.92 115.26 114.62 1o68 n ASN 76 Ca 0.00 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1o68 n ASN 76 Cb 0.00 0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1o68 n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1o68 n ALA 77 N -2.70 0.00 -3.61 5.41 0.00 -1.26 -0.82 120.51 117.53 1o68 n ALA 77 Ca -0.28 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.06 1o68 n ALA 77 Cb 1.12 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.47 1o68 n ALA 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1o68 s ILE 79 N 0.00 -0.59 -0.19 0.00 1.01 -1.26 -4.79 121.20 115.38 1o68 s ILE 79 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 1o68 s ILE 79 Cb 0.00 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 1o68 s ILE 79 CO 0.00 0.05 -0.02 -0.69 0.00 0.00 0.00 174.94 174.28 1o68 s VAL 80 N 2.56 3.81 -0.09 2.92 1.01 0.29 -0.01 120.40 130.88 1o68 s VAL 80 Ca 0.01 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1o68 s VAL 80 Cb -0.13 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1o68 s VAL 80 CO -0.12 0.44 -0.11 -0.44 0.00 0.00 0.00 175.10 174.87 1o68 s SER 81 N 0.94 4.28 0.35 3.32 0.01 -1.26 -0.52 113.70 120.82 1o68 s SER 81 Ca 0.01 -0.18 -0.27 0.00 1.31 0.00 0.00 55.95 56.82 1o68 s SER 81 Cb -0.14 -1.27 -0.09 0.00 0.21 0.00 0.00 66.02 64.73 1o68 s SER 81 CO 0.01 0.28 1.08 -1.81 0.41 0.00 0.00 173.24 173.21 1o68 s ASP 82 N -0.31 6.97 -0.20 2.44 1.01 -0.64 -0.99 116.67 124.96 1o68 s ASP 82 Ca 0.03 2.16 -0.25 0.00 0.71 0.00 0.00 52.55 55.20 1o68 s ASP 82 Cb -0.13 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.19 1o68 s ASP 82 CO 0.03 -0.34 0.83 -0.76 0.21 0.00 0.00 175.17 175.13 1o68 s LEU 83 N -2.09 4.14 0.57 1.23 1.43 -0.15 -4.83 118.68 118.97 1o68 s LEU 83 Ca 0.52 1.12 -0.15 0.00 -1.03 0.00 0.00 54.13 54.58 1o68 s LEU 83 Cb -0.27 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 1o68 s LEU 83 CO 0.34 -0.44 1.03 -2.16 0.23 0.00 0.00 176.35 175.35 1o68 s PRO 84 N 2.39 3.56 0.04 1.29 0.04 -1.26 -4.86 135.00 136.19 1o68 s PRO 84 Ca 0.37 1.06 -0.36 0.00 0.04 0.00 0.00 61.00 62.11 1o68 s PRO 84 Cb -0.16 -2.07 -0.15 0.00 0.04 0.00 0.00 34.50 32.16 1o68 s PRO 84 CO 0.10 -0.60 1.58 0.34 0.04 0.00 0.00 177.00 178.46 1o68 n PHE 85 N -1.97 2.02 0.00 0.56 7.35 -1.26 -1.73 117.46 122.43 1o68 n PHE 85 Ca 0.08 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 57.14 1o68 n PHE 85 Cb 0.53 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.88 1o68 n PHE 85 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1o68 n GLY 86 N 3.41 3.30 0.08 7.13 0.00 -1.26 -4.88 105.19 112.98 1o68 n GLY 86 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1o68 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o68 n ALA 87 N -1.27 3.24 0.00 4.61 0.00 -0.70 -4.56 120.51 121.81 1o68 n ALA 87 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1o68 n ALA 87 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1o68 n ALA 87 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1o68 n TYR 88 N -1.20 0.00 0.89 0.00 4.11 -1.26 -4.35 117.16 115.34 1o68 n TYR 88 Ca 0.08 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.10 1o68 n TYR 88 Cb 0.33 0.00 0.54 0.00 -0.00 0.00 0.00 39.34 40.21 1o68 n TYR 88 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1o68 n GLN 89 N -0.23 0.04 -0.02 -3.48 3.00 -1.26 -3.42 117.38 112.01 1o68 n GLN 89 Ca 0.00 0.07 -0.02 0.00 -0.01 0.00 0.00 57.00 57.04 1o68 n GLN 89 Cb 0.00 -1.50 0.23 0.00 0.00 0.00 0.00 30.24 28.97 1o68 n GLN 89 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 1o68 h GLN 90 N 0.00 0.57 -1.42 -1.09 4.15 -1.89 -3.47 115.11 111.96 1o68 h GLN 90 Ca 0.00 -0.16 0.29 0.00 0.77 0.00 0.00 58.65 59.55 1o68 h GLN 90 Cb 0.40 -0.06 -0.17 0.00 0.21 0.00 0.00 27.48 27.86 1o68 h GLN 90 CO 0.00 0.66 0.84 -1.54 -1.93 0.00 0.00 178.83 176.86 1o68 s SER 91 N -6.74 -0.10 0.43 -0.69 1.04 -1.24 -4.99 113.70 101.41 1o68 s SER 91 Ca -0.08 -0.04 0.10 0.00 0.48 0.00 0.00 55.95 56.41 1o68 s SER 91 Cb 0.15 0.13 0.95 0.00 0.10 0.00 0.00 66.02 67.35 1o68 s SER 91 CO 0.78 -0.23 2.03 0.07 0.98 0.00 0.00 173.24 176.88 1o68 h LYS 92 N 2.00 0.28 -0.42 4.02 2.10 -1.91 -0.12 116.57 122.52 1o68 h LYS 92 Ca -0.16 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.38 1o68 h LYS 92 Cb 1.17 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 1o68 h LYS 92 CO 0.24 0.27 -0.05 0.93 -2.00 0.00 0.00 179.45 178.84 1o68 h GLU 93 N 0.28 0.77 -0.37 0.07 3.07 -1.95 -0.64 114.58 115.80 1o68 h GLU 93 Ca 0.07 -0.27 -0.16 0.00 -0.50 0.00 0.00 59.36 58.49 1o68 h GLU 93 Cb 0.12 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1o68 h GLU 93 CO -0.00 0.88 -0.41 0.37 -1.40 0.00 0.00 179.01 178.45 1o68 h GLN 94 N 0.60 0.93 -0.78 2.33 4.15 -1.73 -2.11 115.11 118.50 1o68 h GLN 94 Ca 0.11 -0.51 0.01 0.00 0.77 0.00 0.00 58.65 59.03 1o68 h GLN 94 Cb 0.56 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 1o68 h GLN 94 CO 0.03 1.16 0.52 0.00 -1.93 0.00 0.00 178.83 178.61 1o68 h ALA 95 N 0.77 0.99 -0.25 3.38 0.00 -0.79 -1.30 119.26 122.05 1o68 h ALA 95 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1o68 h ALA 95 Cb 1.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1o68 h ALA 95 CO 0.10 0.40 0.16 0.35 0.00 0.00 0.00 179.25 180.27 1o68 h PHE 96 N 1.06 0.32 -0.54 0.00 3.57 -1.01 0.70 116.94 121.04 1o68 h PHE 96 Ca 0.29 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.83 1o68 h PHE 96 Cb -0.12 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 1o68 h PHE 96 CO -0.02 0.22 0.29 0.00 -2.23 0.00 0.00 178.31 176.57 1o68 h ALA 97 N 1.08 0.69 -0.30 2.41 0.00 -0.89 0.81 119.26 123.06 1o68 h ALA 97 Ca 0.09 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1o68 h ALA 97 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1o68 h ALA 97 CO -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 179.25 179.15 1o68 h ALA 98 N 1.27 0.41 -0.92 0.00 0.00 -1.13 -2.43 119.26 116.46 1o68 h ALA 98 Ca 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1o68 h ALA 98 Cb 0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1o68 h ALA 98 CO -0.14 0.21 0.54 0.00 0.00 0.00 0.00 179.25 179.86 1o68 h ALA 99 N 0.80 1.22 -0.87 0.00 0.00 -0.62 -2.09 119.26 117.69 1o68 h ALA 99 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1o68 h ALA 99 Cb 0.52 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1o68 h ALA 99 CO 0.02 0.66 0.49 0.00 0.00 0.00 0.00 179.25 180.43 1o68 h ALA 100 N 1.32 1.24 -0.68 0.00 0.00 -0.65 -2.15 119.26 118.34 1o68 h ALA 100 Ca 0.33 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1o68 h ALA 100 Cb -0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1o68 h ALA 100 CO -0.06 0.63 0.17 0.93 0.00 0.00 0.00 179.25 180.92 1o68 h GLU 101 N 1.21 1.08 -1.10 0.00 5.08 -0.91 -0.21 114.58 119.73 1o68 h GLU 101 Ca 0.31 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1o68 h GLU 101 Cb -0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1o68 h GLU 101 CO -0.05 0.96 0.00 1.28 -1.00 0.00 0.00 179.01 180.20 1o68 n LEU 102 N -4.28 0.35 0.00 1.33 4.77 -0.81 -1.12 117.00 117.24 1o68 n LEU 102 Ca 0.05 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1o68 n LEU 102 Cb 0.25 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1o68 n LEU 102 CO 0.42 0.06 0.00 0.00 -1.33 0.00 0.00 177.39 176.54 1o68 n ALA 104 N 0.70 0.00 0.81 -1.18 0.00 -0.09 -2.01 120.51 118.73 1o68 n ALA 104 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1o68 n ALA 104 Cb 0.06 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.02 1o68 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o68 n ALA 105 N 0.00 2.29 0.00 0.00 0.00 -0.28 -4.91 120.51 117.62 1o68 n ALA 105 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1o68 n ALA 105 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1o68 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o68 n GLY 106 N 1.37 0.06 3.81 0.00 0.00 -1.03 -3.22 105.19 106.18 1o68 n GLY 106 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1o68 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o68 s ALA 107 N -0.98 2.84 -1.03 4.61 0.00 -0.85 -4.81 121.76 121.54 1o68 s ALA 107 Ca 0.00 0.47 0.13 0.00 0.00 0.00 0.00 51.96 52.56 1o68 s ALA 107 Cb 0.00 -3.23 0.39 0.00 0.00 0.00 0.00 23.12 20.28 1o68 s ALA 107 CO 0.00 -0.49 1.32 0.72 0.00 0.00 0.00 175.76 177.31 1o68 n HIS 108 N -1.46 0.61 -4.17 0.00 8.25 0.98 -4.84 115.22 114.59 1o68 n HIS 108 Ca 0.09 -0.53 -0.12 0.00 -0.26 0.00 0.00 57.72 56.90 1o68 n HIS 108 Cb 0.53 -0.05 -0.10 0.00 1.12 0.00 0.00 29.99 31.48 1o68 n HIS 108 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1o68 s VAL 110 N -1.17 0.79 -0.04 1.59 -7.23 -0.40 -4.56 120.40 109.38 1o68 s VAL 110 Ca 0.29 -1.83 0.07 0.00 -1.81 0.00 0.00 61.98 58.69 1o68 s VAL 110 Cb 0.16 -1.56 -0.01 0.00 0.56 0.00 0.00 36.38 35.53 1o68 s VAL 110 CO 0.18 -0.76 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.22 1o68 s LYS 111 N -3.46 2.22 0.04 4.82 2.20 -0.16 -0.26 119.74 125.15 1o68 s LYS 111 Ca 0.10 -0.86 0.03 0.00 -0.36 0.00 0.00 55.97 54.88 1o68 s LYS 111 Cb 0.02 -1.99 -0.02 0.00 -1.51 0.00 0.00 37.83 34.33 1o68 s LYS 111 CO -0.03 0.43 -0.09 -0.48 -0.36 0.00 0.00 175.35 174.82 1o68 s LEU 112 N -0.31 2.23 -0.09 5.43 0.05 -0.73 -0.98 118.68 124.28 1o68 s LEU 112 Ca 0.02 -0.52 -0.09 0.00 0.05 0.00 0.00 54.13 53.59 1o68 s LEU 112 Cb -0.12 -0.28 -0.04 0.00 -2.05 0.00 0.00 46.19 43.70 1o68 s LEU 112 CO 0.02 -0.14 0.21 -1.61 -0.55 0.00 0.00 176.35 174.27 1o68 s GLU 113 N -1.47 3.56 0.00 1.48 2.02 -1.26 -0.73 118.70 122.30 1o68 s GLU 113 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 54.97 54.93 1o68 s GLU 113 Cb -0.09 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.94 1o68 s GLU 113 CO 0.01 0.76 0.00 0.41 0.02 0.00 0.00 175.26 176.45 1o68 n GLY 114 N 1.95 4.19 0.00 -1.39 0.00 -0.77 -4.94 105.19 104.23 1o68 n GLY 114 Ca -0.18 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1o68 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o68 n GLY 115 N -1.74 1.56 0.39 -0.02 0.00 -1.26 -4.66 105.19 99.46 1o68 n GLY 115 Ca 0.00 -1.63 0.19 0.00 0.00 0.00 0.00 46.02 44.58 1o68 n GLY 115 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1o68 h VAL 116 N 0.00 0.74 0.00 1.61 2.07 -1.87 -3.20 116.25 115.59 1o68 h VAL 116 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1o68 h VAL 116 Cb 0.00 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1o68 h VAL 116 CO 0.00 0.03 0.00 -2.67 0.02 0.00 0.00 177.57 174.95 1o68 n TRP 117 N -4.41 0.00 0.00 1.57 2.14 -1.26 -4.35 117.44 111.13 1o68 n TRP 117 Ca 0.13 -0.31 0.00 0.00 2.07 0.00 0.00 57.50 59.38 1o68 n TRP 117 Cb 0.62 -0.28 0.00 0.00 -0.81 0.00 0.00 31.31 30.84 1o68 n TRP 117 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1o68 n ALA 119 N 1.43 0.00 -0.22 -1.67 0.00 -1.21 -4.73 120.51 114.12 1o68 n ALA 119 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1o68 n ALA 119 Cb 0.19 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.85 1o68 n ALA 119 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1o68 h GLU 120 N 0.00 1.00 -0.41 0.00 4.81 -1.93 0.04 114.58 118.09 1o68 h GLU 120 Ca 0.00 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 1o68 h GLU 120 Cb 0.00 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1o68 h GLU 120 CO 0.00 0.71 -0.01 1.15 -0.73 0.00 0.00 179.01 180.13 1o68 h THR 121 N 1.01 1.26 -0.57 0.32 2.02 -1.94 -0.78 112.91 114.24 1o68 h THR 121 Ca 0.26 -1.04 0.07 0.00 0.77 0.00 0.00 66.41 66.47 1o68 h THR 121 Cb -0.01 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 1o68 h THR 121 CO -0.05 0.35 0.24 0.74 0.37 0.00 0.00 175.52 177.17 1o68 h THR 122 N 0.55 0.84 -0.52 3.16 2.02 -1.73 -1.38 112.91 115.85 1o68 h THR 122 Ca 0.11 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 1o68 h THR 122 Cb 0.50 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1o68 h THR 122 CO 0.02 0.08 0.13 -0.08 0.37 0.00 0.00 175.52 176.05 1o68 h GLU 123 N 0.44 0.83 -0.50 6.66 4.81 -0.72 -1.57 114.58 124.54 1o68 h GLU 123 Ca 0.27 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1o68 h GLU 123 Cb 0.28 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1o68 h GLU 123 CO -0.25 0.79 0.27 0.35 -0.73 0.00 0.00 179.01 179.44 1o68 h PHE 124 N 0.73 0.49 0.37 0.92 3.57 -0.59 -3.18 116.94 119.25 1o68 h PHE 124 Ca 0.16 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1o68 h PHE 124 Cb 0.33 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1o68 h PHE 124 CO 0.02 0.25 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.10 1o68 h LEU 125 N 0.52 -0.43 -3.12 0.59 4.07 -1.01 -3.15 115.31 112.79 1o68 h LEU 125 Ca 0.21 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1o68 h LEU 125 Cb 0.10 0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1o68 h LEU 125 CO -0.14 -0.08 0.00 0.00 -1.08 0.00 0.00 178.44 177.15 1o68 n GLN 126 N -5.19 0.00 0.00 1.13 -0.00 -0.61 -2.23 117.38 110.49 1o68 n GLN 126 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.90 1o68 n GLN 126 Cb 0.28 -1.34 0.00 0.00 -0.00 0.00 0.00 30.24 29.18 1o68 n GLN 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1o68 n ARG 128 N 1.36 0.00 -0.32 2.61 1.74 -1.19 -3.88 116.66 116.98 1o68 n ARG 128 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1o68 n ARG 128 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1o68 n ARG 128 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1o68 n GLY 129 N 0.00 0.84 3.28 -0.13 0.00 -1.15 -5.05 105.19 102.98 1o68 n GLY 129 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1o68 n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o68 s ILE 130 N -2.01 4.10 0.26 -0.61 1.01 -0.94 -5.06 121.20 117.93 1o68 s ILE 130 Ca 0.00 -1.26 -0.30 0.00 0.00 0.00 0.00 60.65 59.09 1o68 s ILE 130 Cb 0.00 -3.42 -0.11 0.00 0.01 0.00 0.00 42.46 38.94 1o68 s ILE 130 CO 0.00 -0.36 1.55 -2.84 0.00 0.00 0.00 174.94 173.29 1o68 s PRO 131 N 1.43 4.18 -0.06 2.79 0.02 -1.26 -2.70 135.00 139.39 1o68 s PRO 131 Ca 0.02 2.47 0.06 0.00 0.02 0.00 0.00 61.00 63.57 1o68 s PRO 131 Cb -0.21 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.23 1o68 s PRO 131 CO 0.03 -0.57 -0.24 0.08 -0.33 0.00 0.00 177.00 175.96 1o68 s VAL 132 N 0.22 2.14 -0.35 3.83 1.01 -1.26 -1.28 120.40 124.70 1o68 s VAL 132 Ca 0.64 -1.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 1o68 s VAL 132 Cb -0.46 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.18 1o68 s VAL 132 CO 0.43 0.57 0.15 0.00 0.00 0.00 0.00 175.10 176.25 1o68 s ALA 134 N 1.48 3.38 -0.36 0.00 0.00 -0.23 -1.78 121.76 124.26 1o68 s ALA 134 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 51.96 52.01 1o68 s ALA 134 Cb -0.19 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.81 1o68 s ALA 134 CO 0.05 -0.36 0.20 -1.58 0.00 0.00 0.00 175.76 174.07 1o68 s HIS 135 N 1.41 3.22 0.49 0.00 5.04 0.09 0.24 115.29 125.78 1o68 s HIS 135 Ca 0.40 -0.78 0.03 0.00 -1.54 0.00 0.00 55.06 53.17 1o68 s HIS 135 Cb -0.18 -2.43 -0.02 0.00 0.04 0.00 0.00 32.58 29.99 1o68 s HIS 135 CO 0.17 -0.57 0.03 0.96 -2.34 0.00 0.00 174.74 173.00 1o68 s ILE 136 N 1.59 1.40 0.00 0.89 -4.36 0.52 -1.85 121.20 119.40 1o68 s ILE 136 Ca 0.03 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 1o68 s ILE 136 Cb -0.18 -2.36 0.00 0.00 1.25 0.00 0.00 42.46 41.17 1o68 s ILE 136 CO 0.07 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.86 1o68 n GLY 137 N -1.23 0.95 3.62 6.27 0.00 -1.26 -2.51 105.19 111.01 1o68 n GLY 137 Ca -0.15 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 1o68 n GLY 137 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1o68 s LEU 138 N 0.00 3.94 -0.43 0.99 0.20 -0.32 -4.94 118.68 118.12 1o68 s LEU 138 Ca 0.00 0.74 -0.08 0.00 0.69 0.00 0.00 54.13 55.49 1o68 s LEU 138 Cb 0.00 -3.39 0.10 0.00 -0.43 0.00 0.00 46.19 42.47 1o68 s LEU 138 CO 0.00 -0.90 0.27 0.42 -0.29 0.00 0.00 176.35 175.85 1o68 s THR 139 N 3.62 3.99 0.58 3.68 -4.23 -1.26 -4.62 115.64 117.40 1o68 s THR 139 Ca 0.42 -1.65 0.28 0.00 -1.18 0.00 0.00 61.69 59.56 1o68 s THR 139 Cb -0.12 -3.55 0.39 0.00 1.34 0.00 0.00 72.50 70.56 1o68 s THR 139 CO 0.19 -0.62 1.95 -0.65 -0.54 0.00 0.00 174.62 174.95 1o68 h PRO 140 N 8.34 0.00 0.00 3.99 0.11 -1.97 0.72 132.00 143.18 1o68 h PRO 140 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1o68 h PRO 140 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1o68 h PRO 140 CO 0.77 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.52 1o68 h GLN 141 N 0.00 0.00 -0.57 1.05 4.20 -1.97 -1.89 115.11 115.93 1o68 h GLN 141 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1o68 h GLN 141 Cb 1.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1o68 h GLN 141 CO -0.00 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.59 1o68 n SER 142 N -3.08 4.96 -0.22 1.46 7.64 0.24 -4.69 113.62 119.94 1o68 n SER 142 Ca -0.01 -2.67 0.20 0.00 1.01 0.00 0.00 58.87 57.40 1o68 n SER 142 Cb 0.17 -0.60 0.55 0.00 -1.01 0.00 0.00 64.21 63.32 1o68 n SER 142 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1o68 h VAL 143 N 3.73 0.68 0.00 0.44 3.04 -1.43 0.85 116.25 123.55 1o68 h VAL 143 Ca 0.00 -0.12 -0.12 0.00 -1.01 0.00 0.00 66.70 65.45 1o68 h VAL 143 Cb 1.62 0.31 -0.02 0.00 -2.01 0.00 0.00 31.29 31.19 1o68 h VAL 143 CO 0.32 0.06 -0.59 -0.26 -1.01 0.00 0.00 177.57 176.09 1o68 h PHE 144 N 0.34 0.00 0.10 3.17 -1.00 -1.85 0.27 116.94 117.96 1o68 h PHE 144 Ca 0.44 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.95 1o68 h PHE 144 Cb 1.20 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.75 1o68 h PHE 144 CO -0.00 0.59 -1.31 0.00 -1.61 0.00 0.00 178.31 175.98 1o68 h ALA 145 N 1.41 0.23 -0.28 2.45 0.00 -1.43 -3.34 119.26 118.30 1o68 h ALA 145 Ca -0.01 -0.99 -0.16 0.00 0.00 0.00 0.00 54.91 53.75 1o68 h ALA 145 Cb 1.20 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1o68 h ALA 145 CO 0.08 1.11 -0.46 0.74 0.00 0.00 0.00 179.25 180.71 1o68 h PHE 146 N 0.05 1.01 0.00 0.00 0.05 -0.74 -3.47 116.94 113.84 1o68 h PHE 146 Ca -0.15 -0.35 0.00 0.00 3.82 0.00 0.00 57.97 61.29 1o68 h PHE 146 Cb 1.95 -0.19 0.00 0.00 2.00 0.00 0.00 35.95 39.71 1o68 h PHE 146 CO 0.05 1.15 0.00 0.41 -0.18 0.00 0.00 178.31 179.74 1o68 n GLY 147 N 0.32 1.06 0.00 -1.45 0.00 0.90 -4.94 105.19 101.08 1o68 n GLY 147 Ca -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1o68 n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o68 n GLY 148 N -1.72 0.59 3.61 -0.02 0.00 -0.96 -5.02 105.19 101.68 1o68 n GLY 148 Ca 0.00 -2.19 -0.36 0.00 0.00 0.00 0.00 46.02 43.47 1o68 n GLY 148 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1o68 s TYR 149 N -0.56 3.25 -0.00 1.61 1.51 -1.26 -4.84 117.35 117.06 1o68 s TYR 149 Ca 0.00 0.07 -0.09 0.00 -1.01 0.00 0.00 57.07 56.04 1o68 s TYR 149 Cb 0.00 -2.21 0.01 0.00 -0.11 0.00 0.00 41.96 39.65 1o68 s TYR 149 CO 0.00 0.02 0.17 0.15 -1.11 0.00 0.00 175.55 174.78 1o68 s LYS 150 N 0.95 0.51 0.52 -0.62 1.02 -1.26 -5.15 119.74 115.71 1o68 s LYS 150 Ca 0.06 -0.35 -0.23 0.00 0.02 0.00 0.00 55.97 55.47 1o68 s LYS 150 Cb -0.13 0.22 -0.06 0.00 -0.52 0.00 0.00 37.83 37.33 1o68 s LYS 150 CO 0.03 -0.13 1.37 0.08 -0.92 0.00 0.00 175.35 175.79 1o68 s VAL 151 N -1.35 2.09 0.24 3.17 1.01 -1.26 -4.82 120.40 119.48 1o68 s VAL 151 Ca -0.14 0.07 0.12 0.00 0.00 0.00 0.00 61.98 62.02 1o68 s VAL 151 Cb -0.07 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1o68 s VAL 151 CO 0.02 0.00 -0.22 -1.10 0.00 0.00 0.00 175.10 173.80 1o68 s GLN 152 N -2.79 1.61 0.00 2.72 -1.52 0.17 -4.82 119.66 115.03 1o68 s GLN 152 Ca 0.69 -1.65 0.00 0.00 -1.95 0.00 0.00 55.36 52.44 1o68 s GLN 152 Cb -0.41 -1.81 0.00 0.00 -0.22 0.00 0.00 33.01 30.57 1o68 s GLN 152 CO 0.50 0.36 0.00 0.41 -0.25 0.00 0.00 175.29 176.31 1o68 n GLY 153 N -0.21 0.67 3.89 3.09 0.00 -1.26 -1.79 105.19 109.59 1o68 n GLY 153 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1o68 n GLY 153 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1o68 s ARG 154 N -0.76 3.43 6.48 1.61 1.70 -1.26 -2.65 118.95 127.49 1o68 s ARG 154 Ca 0.00 0.37 0.00 0.00 -0.47 0.00 0.00 55.73 55.63 1o68 s ARG 154 Cb 0.00 -2.24 0.00 0.00 -0.57 0.00 0.00 34.95 32.14 1o68 s ARG 154 CO 0.00 -0.45 0.00 0.41 -1.08 0.00 0.00 175.30 174.18 1o68 n GLY 155 N -2.52 1.86 0.65 3.88 0.00 -1.26 -2.52 105.19 105.28 1o68 n GLY 155 Ca 0.03 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.70 1o68 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o68 n GLY 156 N 0.00 0.48 0.03 -0.02 0.00 -1.26 -3.55 105.19 100.87 1o68 n GLY 156 Ca 0.00 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.66 1o68 n GLY 156 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o68 n LYS 157 N 0.53 0.12 -0.17 1.61 5.02 -1.05 -4.01 118.16 120.20 1o68 n LYS 157 Ca 0.17 0.05 -0.07 0.00 -2.02 0.00 0.00 58.31 56.44 1o68 n LYS 157 Cb 0.39 -1.59 0.02 0.00 -0.02 0.00 0.00 35.03 33.83 1o68 n LYS 157 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1o68 h ALA 158 N 2.80 0.63 -0.38 7.82 0.00 -1.55 -2.58 119.26 126.00 1o68 h ALA 158 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1o68 h ALA 158 Cb 0.60 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1o68 h ALA 158 CO 0.00 0.07 0.07 0.37 0.00 0.00 0.00 179.25 179.76 1o68 h GLN 159 N 0.67 0.57 -0.52 0.00 5.75 -1.85 -2.18 115.11 117.55 1o68 h GLN 159 Ca 0.19 -0.10 -0.08 0.00 -0.15 0.00 0.00 58.65 58.50 1o68 h GLN 159 Cb -0.07 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 1o68 h GLN 159 CO -0.05 0.55 -0.00 0.00 -2.65 0.00 0.00 178.83 176.68 1o68 h ALA 160 N 1.52 1.02 -0.36 3.38 0.00 -1.67 -1.25 119.26 121.90 1o68 h ALA 160 Ca 0.13 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1o68 h ALA 160 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1o68 h ALA 160 CO 0.00 0.60 -0.18 1.25 0.00 0.00 0.00 179.25 180.92 1o68 h LEU 161 N 0.81 0.79 -0.42 0.00 5.85 -1.19 -1.10 115.31 120.06 1o68 h LEU 161 Ca 0.15 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1o68 h LEU 161 Cb 0.49 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1o68 h LEU 161 CO 0.02 1.02 0.27 -0.07 -0.34 0.00 0.00 178.44 179.34 1o68 h LEU 162 N 0.55 0.46 -0.52 2.25 3.38 -1.30 -1.55 115.31 118.58 1o68 h LEU 162 Ca 0.08 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1o68 h LEU 162 Cb 0.73 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1o68 h LEU 162 CO 0.05 0.33 0.26 0.78 0.09 0.00 0.00 178.44 179.95 1o68 h ASN 163 N 0.55 0.36 -0.52 -0.43 2.35 -0.99 -0.80 115.58 116.11 1o68 h ASN 163 Ca 0.16 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.99 1o68 h ASN 163 Cb -0.05 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 1o68 h ASN 163 CO -0.04 0.25 0.23 0.44 -1.65 0.00 0.00 177.43 176.66 1o68 h ASP 164 N 0.50 0.30 -0.34 5.81 3.32 -0.57 0.22 116.42 125.65 1o68 h ASP 164 Ca 0.23 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 1o68 h ASP 164 Cb 0.15 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1o68 h ASP 164 CO -0.17 0.20 -0.07 0.00 -1.72 0.00 0.00 179.24 177.49 1o68 h ALA 165 N 1.31 0.47 -0.25 3.45 0.00 -1.08 -2.15 119.26 121.01 1o68 h ALA 165 Ca 0.24 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1o68 h ALA 165 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1o68 h ALA 165 CO -0.20 0.30 -0.45 0.87 0.00 0.00 0.00 179.25 179.77 1o68 h LYS 166 N 0.44 0.64 -0.39 0.00 1.57 -0.88 0.26 116.57 118.21 1o68 h LYS 166 Ca 0.09 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1o68 h LYS 166 Cb 0.56 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1o68 h LYS 166 CO 0.03 0.97 0.25 0.00 -0.57 0.00 0.00 179.45 180.12 1o68 h ALA 167 N 0.98 0.50 -0.42 3.86 0.00 -0.41 0.31 119.26 124.07 1o68 h ALA 167 Ca 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1o68 h ALA 167 Cb 0.99 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1o68 h ALA 167 CO 0.09 -0.03 -0.06 0.45 0.00 0.00 0.00 179.25 179.71 1o68 h HIS 168 N 0.52 0.86 -0.98 0.00 3.86 -1.15 -1.30 115.15 116.96 1o68 h HIS 168 Ca 0.14 -0.17 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1o68 h HIS 168 Cb -0.03 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 28.17 1o68 h HIS 168 CO -0.04 0.87 0.64 0.22 0.86 0.00 0.00 177.93 180.48 1o68 h ASP 169 N 0.60 1.07 0.47 2.45 -0.00 -0.05 -1.23 116.42 119.73 1o68 h ASP 169 Ca 0.11 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.03 57.04 1o68 h ASP 169 Cb 0.57 -0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 39.64 1o68 h ASP 169 CO 0.03 0.74 -0.43 0.44 -0.00 0.00 0.00 179.24 180.02 1o68 h ASP 170 N 1.25 0.00 0.82 2.28 3.32 -0.23 -2.36 116.42 121.50 1o68 h ASP 170 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1o68 h ASP 170 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1o68 h ASP 170 CO -0.12 0.43 0.00 0.00 -1.72 0.00 0.00 179.24 177.83 1o68 n ALA 171 N -2.44 2.26 0.00 3.45 0.00 -0.50 -4.90 120.51 118.38 1o68 n ALA 171 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1o68 n ALA 171 Cb 0.46 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1o68 n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o68 n GLY 172 N 1.21 1.23 3.74 0.00 0.00 -0.89 -3.86 105.19 106.62 1o68 n GLY 172 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1o68 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o68 n ALA 173 N -1.47 2.09 0.11 4.61 0.00 -0.57 -4.79 120.51 120.48 1o68 n ALA 173 Ca 0.00 0.36 -0.18 0.00 0.00 0.00 0.00 53.44 53.62 1o68 n ALA 173 Cb 0.00 -2.38 -0.12 0.00 0.00 0.00 0.00 19.45 16.94 1o68 n ALA 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o68 h ALA 174 N 3.44 0.08 -2.88 0.00 0.00 -1.49 -3.45 119.26 114.96 1o68 h ALA 174 Ca -0.48 -0.83 -0.16 0.00 0.00 0.00 0.00 54.91 53.44 1o68 h ALA 174 Cb 1.25 0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.88 1o68 h ALA 174 CO 0.69 0.84 -0.59 0.08 0.00 0.00 0.00 179.25 180.27 1o68 s VAL 175 N -2.81 0.09 -0.17 0.00 1.01 -1.12 -3.97 120.40 113.43 1o68 s VAL 175 Ca -0.06 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1o68 s VAL 175 Cb 0.07 -0.35 0.03 0.00 0.00 0.00 0.00 36.38 36.13 1o68 s VAL 175 CO 0.90 -0.42 -0.12 -0.69 0.00 0.00 0.00 175.10 174.77 1o68 s VAL 176 N -1.37 1.59 0.12 2.92 1.01 -1.02 -1.07 120.40 122.58 1o68 s VAL 176 Ca -0.15 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1o68 s VAL 176 Cb -0.08 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.75 1o68 s VAL 176 CO 0.00 0.33 0.15 -0.11 0.00 0.00 0.00 175.10 175.48 1o68 n LEU 177 N 4.74 0.00 -3.40 3.92 0.00 0.14 -1.66 117.00 120.73 1o68 n LEU 177 Ca -0.16 -0.53 0.03 0.00 0.00 0.00 0.00 56.01 55.34 1o68 n LEU 177 Cb 0.49 -0.07 -0.05 0.00 0.00 0.00 0.00 43.42 43.78 1o68 n LEU 177 CO 0.21 -0.50 0.92 -0.70 0.00 0.00 0.00 177.39 177.32 1o68 s GLU 179 N -2.53 0.07 -1.12 1.96 2.12 -1.05 -0.35 118.70 117.81 1o68 s GLU 179 Ca 0.11 0.16 -0.14 0.00 0.36 0.00 0.00 54.97 55.46 1o68 s GLU 179 Cb -0.01 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.42 1o68 s GLU 179 CO 0.07 -0.02 0.83 0.00 -0.54 0.00 0.00 175.26 175.60 1o68 s VAL 181 N -3.46 2.05 0.09 0.00 1.01 -1.05 -0.65 120.40 118.38 1o68 s VAL 181 Ca 0.43 -1.26 -0.36 0.00 0.00 0.00 0.00 61.98 60.79 1o68 s VAL 181 Cb -0.12 -1.73 -0.16 0.00 0.00 0.00 0.00 36.38 34.36 1o68 s VAL 181 CO 0.82 0.42 1.37 0.18 0.00 0.00 0.00 175.10 177.89 1o68 n LEU 182 N 2.03 1.80 -0.29 3.92 4.77 -0.74 -4.24 117.00 124.25 1o68 n LEU 182 Ca -0.17 1.11 0.08 0.00 -0.03 0.00 0.00 56.01 57.00 1o68 n LEU 182 Cb 0.52 -1.21 0.23 0.00 -2.33 0.00 0.00 43.42 40.62 1o68 n LEU 182 CO 0.23 -0.96 1.08 0.00 -1.33 0.00 0.00 177.39 176.41 1o68 h ALA 183 N 4.73 1.26 -0.48 -1.18 0.00 -1.70 -0.88 119.26 121.01 1o68 h ALA 183 Ca -0.47 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1o68 h ALA 183 Cb 1.33 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1o68 h ALA 183 CO 0.79 -0.14 0.12 1.05 0.00 0.00 0.00 179.25 181.07 1o68 h GLU 184 N 0.57 0.72 -0.16 0.00 4.11 -1.88 0.09 114.58 118.02 1o68 h GLU 184 Ca 0.47 -0.13 -0.08 0.00 0.07 0.00 0.00 59.36 59.68 1o68 h GLU 184 Cb 0.70 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1o68 h GLU 184 CO -0.39 0.65 -0.23 1.25 0.07 0.00 0.00 179.01 180.37 1o68 h LEU 185 N 0.70 0.48 -0.87 3.06 6.46 -1.62 -2.02 115.31 121.50 1o68 h LEU 185 Ca 0.16 -0.52 0.07 0.00 -0.12 0.00 0.00 57.88 57.47 1o68 h LEU 185 Cb 0.26 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 39.99 1o68 h LEU 185 CO -0.00 0.90 0.54 0.00 -0.62 0.00 0.00 178.44 179.25 1o68 h ALA 186 N 0.59 1.21 0.14 1.25 0.00 -0.73 0.14 119.26 121.86 1o68 h ALA 186 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1o68 h ALA 186 Cb 0.79 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1o68 h ALA 186 CO 0.05 0.26 -0.08 -0.22 0.00 0.00 0.00 179.25 179.27 1o68 h LYS 187 N 0.96 -0.20 -0.58 0.00 3.64 -0.92 0.12 116.57 119.59 1o68 h LYS 187 Ca 0.39 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.79 1o68 h LYS 187 Cb 0.21 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1o68 h LYS 187 CO -0.19 -0.13 0.38 -0.22 -2.27 0.00 0.00 179.45 177.02 1o68 h LYS 188 N -0.20 0.75 -0.62 1.90 1.63 -0.53 -0.32 116.57 119.17 1o68 h LYS 188 Ca -0.02 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1o68 h LYS 188 Cb 0.16 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.59 1o68 h LYS 188 CO 0.02 0.50 0.38 0.28 -3.45 0.00 0.00 179.45 177.18 1o68 h VAL 189 N 0.77 1.07 -0.75 2.00 2.07 -0.51 -0.82 116.25 120.08 1o68 h VAL 189 Ca 0.22 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1o68 h VAL 189 Cb -0.06 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 29.93 1o68 h VAL 189 CO -0.06 0.14 0.41 0.74 0.02 0.00 0.00 177.57 178.82 1o68 h THR 190 N 0.75 1.22 0.00 2.57 2.02 -0.14 -0.63 112.91 118.70 1o68 h THR 190 Ca 0.25 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1o68 h THR 190 Cb 0.03 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1o68 h THR 190 CO -0.10 0.25 0.00 -0.33 0.37 0.00 0.00 175.52 175.70 1o68 h GLU 191 N 1.05 0.00 0.02 6.66 5.08 -0.42 -3.35 114.58 123.61 1o68 h GLU 191 Ca 0.26 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.23 1o68 h GLU 191 Cb 0.03 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1o68 h GLU 191 CO -0.04 0.00 -2.24 2.41 -1.00 0.00 0.00 179.01 178.13 1o68 n THR 192 N -2.36 1.55 -1.61 1.13 -1.04 -0.37 -4.98 114.28 106.59 1o68 n THR 192 Ca 0.04 -0.41 -0.32 0.00 -2.04 0.00 0.00 64.05 61.33 1o68 n THR 192 Cb 0.37 -1.76 0.05 0.00 -1.82 0.00 0.00 70.33 67.17 1o68 n THR 192 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1o68 s VAL 193 N -2.49 3.68 -0.27 12.58 -7.23 -0.36 -4.96 120.40 121.34 1o68 s VAL 193 Ca -0.34 0.63 0.20 0.00 -1.81 0.00 0.00 61.98 60.66 1o68 s VAL 193 Cb 0.11 -3.22 0.11 0.00 0.56 0.00 0.00 36.38 33.94 1o68 s VAL 193 CO 0.57 -0.63 1.30 0.77 -0.31 0.00 0.00 175.10 176.80 1o68 h SER 194 N -0.48 0.00 -3.18 4.85 4.64 -1.91 -3.46 113.55 114.01 1o68 h SER 194 Ca -0.45 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.38 1o68 h SER 194 Cb 1.22 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1o68 h SER 194 CO 0.55 0.20 -0.06 0.00 -0.87 0.00 0.00 176.83 176.65 1o68 n PRO 196 N -1.81 0.14 -4.65 0.00 -0.02 -1.26 -4.82 135.00 122.59 1o68 n PRO 196 Ca -0.02 0.12 -0.25 0.00 -2.02 0.00 0.00 63.50 61.33 1o68 n PRO 196 Cb 0.55 -2.36 -0.14 0.00 -0.02 0.00 0.00 33.50 31.54 1o68 n PRO 196 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1o68 s THR 197 N -2.14 1.64 -0.06 3.45 -4.23 -1.26 -2.43 115.64 110.61 1o68 s THR 197 Ca 0.72 -1.18 0.05 0.00 -1.18 0.00 0.00 61.69 60.10 1o68 s THR 197 Cb -0.29 -1.43 -0.00 0.00 1.34 0.00 0.00 72.50 72.12 1o68 s THR 197 CO 0.53 0.21 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.97 1o68 s ILE 198 N -0.79 1.77 0.26 2.99 -1.09 -0.66 -0.96 121.20 122.72 1o68 s ILE 198 Ca 0.07 -0.89 0.12 0.00 -2.23 0.00 0.00 60.65 57.72 1o68 s ILE 198 Cb -0.09 -1.52 -0.05 0.00 -1.58 0.00 0.00 42.46 39.22 1o68 s ILE 198 CO 0.02 0.50 -0.20 -0.83 -1.23 0.00 0.00 174.94 173.19 1o68 s GLY 199 N 0.09 1.83 -0.25 6.18 0.00 -0.35 -4.31 107.32 110.51 1o68 s GLY 199 Ca -0.08 -1.82 -0.02 0.00 0.00 0.00 0.00 44.72 42.80 1o68 s GLY 199 CO 0.04 -1.90 0.35 -1.50 0.00 0.00 0.00 173.10 170.09 1o68 s ILE 200 N -2.37 -0.54 -0.48 0.90 2.07 -1.26 -1.32 121.20 118.20 1o68 s ILE 200 Ca 0.28 -0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.36 1o68 s ILE 200 Cb -0.05 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.70 1o68 s ILE 200 CO 0.14 -0.20 0.00 0.61 -1.91 0.00 0.00 174.94 173.58 1o68 n GLY 201 N 5.35 0.62 0.04 1.50 0.00 -1.26 -0.70 105.19 110.74 1o68 n GLY 201 Ca -0.03 -0.82 0.04 0.00 0.00 0.00 0.00 46.02 45.21 1o68 n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o68 n ALA 202 N 0.58 2.08 0.00 4.61 0.00 -1.26 -2.53 120.51 123.99 1o68 n ALA 202 Ca -0.05 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 51.71 1o68 n ALA 202 Cb 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1o68 n ALA 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o68 n GLY 203 N -0.87 -0.78 0.31 0.00 0.00 -1.26 -4.39 105.19 98.19 1o68 n GLY 203 Ca 0.07 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.54 1o68 n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o68 n ALA 204 N -0.87 2.94 1.60 4.61 0.00 -1.26 -4.04 120.51 123.48 1o68 n ALA 204 Ca 0.00 -0.41 0.11 0.00 0.00 0.00 0.00 53.44 53.13 1o68 n ALA 204 Cb 0.00 -1.14 0.49 0.00 0.00 0.00 0.00 19.45 18.80 1o68 n ALA 204 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1o68 n ASP 205 N -0.43 0.90 -4.10 0.00 8.00 -1.26 -4.86 116.55 114.80 1o68 n ASP 205 Ca 0.14 -1.54 -0.30 0.00 0.71 0.00 0.00 54.79 53.81 1o68 n ASP 205 Cb 0.35 -0.05 0.21 0.00 -0.02 0.00 0.00 41.12 41.61 1o68 n ASP 205 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1o68 n ASP 207 N -4.47 0.25 -3.65 0.00 8.00 -0.13 -4.92 116.55 111.62 1o68 n ASP 207 Ca 0.11 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1o68 n ASP 207 Cb 0.59 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1o68 n ASP 207 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1o68 s GLY 208 N -2.59 -0.23 0.21 0.44 0.00 -0.62 -1.38 107.32 103.15 1o68 s GLY 208 Ca 0.26 0.27 0.05 0.00 0.00 0.00 0.00 44.72 45.30 1o68 s GLY 208 CO 0.49 1.96 -0.08 1.20 0.00 0.00 0.00 173.10 176.67 1o68 s GLN 209 N -2.39 1.28 -0.05 2.90 -1.52 -0.35 -1.22 119.66 118.31 1o68 s GLN 209 Ca 0.19 -1.60 -0.09 0.00 -1.95 0.00 0.00 55.36 51.91 1o68 s GLN 209 Cb 0.01 -0.82 0.02 0.00 -0.22 0.00 0.00 33.01 32.00 1o68 s GLN 209 CO -0.01 0.05 0.22 0.54 -0.25 0.00 0.00 175.29 175.84 1o68 s VAL 210 N -3.22 0.03 0.06 1.09 0.11 -0.43 -4.58 120.40 113.46 1o68 s VAL 210 Ca 0.23 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 1o68 s VAL 210 Cb 0.03 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 1o68 s VAL 210 CO 0.06 -0.15 -0.04 -0.76 -3.33 0.00 0.00 175.10 170.88 1o68 s LEU 211 N -0.54 2.43 0.00 2.54 1.43 -1.26 -4.49 118.68 118.79 1o68 s LEU 211 Ca -0.06 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1o68 s LEU 211 Cb -0.04 0.08 0.00 0.00 0.03 0.00 0.00 46.19 46.26 1o68 s LEU 211 CO 0.01 -0.48 0.00 0.52 0.23 0.00 0.00 176.35 176.64 1o68 n VAL 212 N 0.45 0.00 0.00 -1.59 0.31 -1.26 -2.72 118.33 113.52 1o68 n VAL 212 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1o68 n VAL 212 Cb 0.59 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 1o68 n VAL 212 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1o68 n HIS 214 N -0.00 0.00 0.57 3.52 8.25 -1.26 -4.66 115.22 121.65 1o68 n HIS 214 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1o68 n HIS 214 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1o68 n HIS 214 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1o68 n ASP 215 N 0.00 0.84 0.00 0.41 8.00 -1.26 -1.17 116.55 123.37 1o68 n ASP 215 Ca 0.00 -1.15 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1o68 n ASP 215 Cb 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 1o68 n ASP 215 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1o68 n LEU 217 N 0.33 0.00 -2.95 0.64 4.77 -1.26 -4.49 117.00 114.04 1o68 n LEU 217 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1o68 n LEU 217 Cb 0.18 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1o68 n LEU 217 CO 0.00 0.00 0.11 0.61 -1.33 0.00 0.00 177.39 176.78 1o68 n GLY 218 N 0.00 -0.38 0.24 -0.72 0.00 -1.12 -4.88 105.19 98.33 1o68 n GLY 218 Ca 0.00 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1o68 n GLY 218 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1o68 h ILE 219 N -1.80 0.17 -3.12 -0.61 1.08 -1.37 -3.44 117.51 108.42 1o68 h ILE 219 Ca -0.49 -0.93 -0.56 0.00 -0.39 0.00 0.00 64.86 62.49 1o68 h ILE 219 Cb 1.33 1.80 -0.03 0.00 -3.07 0.00 0.00 36.82 36.85 1o68 h ILE 219 CO 0.50 0.08 -0.28 -0.36 -0.69 0.00 0.00 178.15 177.39 1o68 s PHE 220 N -3.45 3.47 0.52 1.37 0.40 -1.26 -5.08 117.98 113.95 1o68 s PHE 220 Ca 0.03 0.54 -0.18 0.00 -0.60 0.00 0.00 56.93 56.71 1o68 s PHE 220 Cb 0.08 -2.00 -0.07 0.00 0.51 0.00 0.00 43.02 41.54 1o68 s PHE 220 CO 0.62 0.38 1.03 -1.25 0.70 0.00 0.00 175.22 176.70 1o68 s PRO 221 N -2.92 3.70 1.77 0.24 0.04 -1.26 -4.83 135.00 131.74 1o68 s PRO 221 Ca 0.41 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1o68 s PRO 221 Cb -0.12 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1o68 s PRO 221 CO 0.26 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.21 1o68 n GLY 222 N -0.66 -0.95 3.79 0.56 0.00 -1.26 -4.91 105.19 101.76 1o68 n GLY 222 Ca 0.09 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 1o68 n GLY 222 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o68 s LYS 223 N 0.00 3.00 0.72 1.61 0.00 -1.26 -5.12 119.74 118.69 1o68 s LYS 223 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 55.97 55.28 1o68 s LYS 223 Cb 0.00 -2.80 0.04 0.00 0.00 0.00 0.00 37.83 35.07 1o68 s LYS 223 CO 0.00 0.60 1.08 -0.08 0.00 0.00 0.00 175.35 176.94 1o68 s THR 224 N -1.34 2.82 0.99 3.79 -1.32 -1.26 -5.02 115.64 114.30 1o68 s THR 224 Ca 0.28 0.11 -0.13 0.00 -1.21 0.00 0.00 61.69 60.74 1o68 s THR 224 Cb -0.12 -3.23 0.08 0.00 -1.51 0.00 0.00 72.50 67.72 1o68 s THR 224 CO 0.20 -0.29 0.48 0.00 -2.21 0.00 0.00 174.62 172.80 1o68 n ALA 225 N -3.02 -2.64 0.26 11.08 0.00 -1.26 -4.84 120.51 120.09 1o68 n ALA 225 Ca 0.07 -0.76 0.10 0.00 0.00 0.00 0.00 53.44 52.85 1o68 n ALA 225 Cb 0.59 -1.82 0.71 0.00 0.00 0.00 0.00 19.45 18.93 1o68 n ALA 225 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1o68 h LYS 226 N -1.78 0.00 -0.13 0.00 -0.00 -1.95 -2.01 116.57 110.70 1o68 h LYS 226 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 1o68 h LYS 226 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.53 1o68 h LYS 226 CO 0.37 0.05 0.00 1.97 -0.00 0.00 0.00 179.45 181.84 1o68 n PHE 227 N -4.16 0.15 -4.11 0.07 1.16 -1.26 -4.02 117.46 105.30 1o68 n PHE 227 Ca -0.03 -0.08 -0.32 0.00 -1.87 0.00 0.00 57.45 55.15 1o68 n PHE 227 Cb 0.14 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 37.94 1o68 n PHE 227 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1o68 s VAL 228 N -1.85 4.62 0.00 1.97 1.01 -0.76 -4.62 120.40 120.79 1o68 s VAL 228 Ca 0.34 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1o68 s VAL 228 Cb 0.19 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1o68 s VAL 228 CO 0.29 0.30 -0.22 -0.75 0.00 0.00 0.00 175.10 174.72 1o68 s LYS 229 N -1.88 1.68 -0.56 2.72 2.20 -1.26 -4.80 119.74 117.85 1o68 s LYS 229 Ca 0.24 -0.85 -0.26 0.00 -0.36 0.00 0.00 55.97 54.74 1o68 s LYS 229 Cb -0.12 -1.69 0.04 0.00 -1.51 0.00 0.00 37.83 34.54 1o68 s LYS 229 CO 0.16 0.45 1.04 1.21 -0.36 0.00 0.00 175.35 177.85 1o68 s ASN 230 N -0.75 6.39 -0.33 1.43 3.84 -1.26 -4.74 114.94 119.51 1o68 s ASN 230 Ca 0.09 -0.16 -0.05 0.00 0.21 0.00 0.00 52.86 52.95 1o68 s ASN 230 Cb -0.09 -2.48 -0.04 0.00 -0.55 0.00 0.00 41.25 38.09 1o68 s ASN 230 CO 0.00 -1.33 3.03 0.49 -2.79 0.00 0.00 177.10 176.50 1o68 n PHE 231 N 7.86 1.13 -0.83 0.43 3.01 -1.26 -4.93 117.46 122.86 1o68 n PHE 231 Ca 0.05 -1.82 0.00 0.00 1.01 0.00 0.00 57.45 56.68 1o68 n PHE 231 Cb 0.48 -1.46 0.00 0.00 -0.01 0.00 0.00 39.48 38.49 1o68 n PHE 231 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1o68 n GLN 233 N 1.39 0.00 -0.61 -1.08 7.27 -1.26 -4.49 117.38 118.60 1o68 n GLN 233 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.54 1o68 n GLN 233 Cb 0.66 -0.30 0.00 0.00 2.41 0.00 0.00 30.24 33.00 1o68 n GLN 233 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1o68 n GLY 234 N 0.07 0.78 3.17 1.69 0.00 -1.26 -5.02 105.19 104.61 1o68 n GLY 234 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1o68 n GLY 234 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1o68 s HIS 235 N -2.94 0.93 -0.16 1.61 3.76 -1.26 -5.07 115.29 112.15 1o68 s HIS 235 Ca 0.00 -0.81 0.16 0.00 -0.15 0.00 0.00 55.06 54.26 1o68 s HIS 235 Cb 0.00 -0.52 0.43 0.00 1.11 0.00 0.00 32.58 33.60 1o68 s HIS 235 CO 0.00 -0.09 1.19 -0.40 -0.85 0.00 0.00 174.74 174.59 1o68 n ASP 236 N 0.21 1.82 -3.64 1.40 5.75 -1.26 -5.00 116.55 115.83 1o68 n ASP 236 Ca -0.14 -3.18 -0.15 0.00 -0.01 0.00 0.00 54.79 51.31 1o68 n ASP 236 Cb 0.60 -0.44 -0.08 0.00 -1.03 0.00 0.00 41.12 40.17 1o68 n ASP 236 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1o68 s SER 237 N -2.93 -0.59 0.33 -1.12 1.04 -1.26 -5.03 113.70 104.15 1o68 s SER 237 Ca 0.37 0.95 0.08 0.00 0.48 0.00 0.00 55.95 57.84 1o68 s SER 237 Cb 0.38 0.94 0.60 0.00 0.10 0.00 0.00 66.02 68.03 1o68 s SER 237 CO -0.09 -0.35 1.79 0.58 0.98 0.00 0.00 173.24 176.16 1o68 h VAL 238 N 3.83 1.26 -0.10 5.02 2.07 -1.99 -1.94 116.25 124.40 1o68 h VAL 238 Ca -0.28 -1.24 0.04 0.00 0.82 0.00 0.00 66.70 66.04 1o68 h VAL 238 Cb 1.16 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 1o68 h VAL 238 CO 0.23 0.37 -0.14 1.56 0.02 0.00 0.00 177.57 179.61 1o68 h GLN 239 N 0.19 -0.17 -0.54 1.57 7.50 -1.96 -0.78 115.11 120.92 1o68 h GLN 239 Ca 0.03 0.01 -0.11 0.00 0.50 0.00 0.00 58.65 59.08 1o68 h GLN 239 Cb 0.64 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.20 1o68 h GLN 239 CO 0.05 -0.12 -0.09 0.00 -1.50 0.00 0.00 178.83 177.17 1o68 h ALA 240 N 0.86 0.74 -0.79 3.87 0.00 -1.92 -1.42 119.26 120.60 1o68 h ALA 240 Ca 0.08 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1o68 h ALA 240 Cb 0.30 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1o68 h ALA 240 CO -0.21 0.64 0.51 0.00 0.00 0.00 0.00 179.25 180.19 1o68 h ALA 241 N 0.93 1.04 -0.24 0.00 0.00 -0.87 -0.87 119.26 119.26 1o68 h ALA 241 Ca 0.14 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1o68 h ALA 241 Cb 0.65 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1o68 h ALA 241 CO 0.05 0.32 -0.55 0.28 0.00 0.00 0.00 179.25 179.35 1o68 h VAL 242 N 0.98 1.30 -0.23 0.00 2.07 -0.97 -2.74 116.25 116.66 1o68 h VAL 242 Ca 0.32 -1.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.02 1o68 h VAL 242 Cb 0.02 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1o68 h VAL 242 CO -0.11 0.56 -0.09 0.03 0.02 0.00 0.00 177.57 177.98 1o68 h ARG 243 N 0.56 0.36 -0.31 1.57 3.08 -1.03 -1.56 114.38 117.06 1o68 h ARG 243 Ca 0.01 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 1o68 h ARG 243 Cb 1.12 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1o68 h ARG 243 CO 0.11 0.47 -0.39 0.00 -1.07 0.00 0.00 179.97 179.09 1o68 h ALA 244 N 1.57 0.73 0.15 0.04 0.00 -0.98 -1.34 119.26 119.42 1o68 h ALA 244 Ca 0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1o68 h ALA 244 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1o68 h ALA 244 CO 0.02 0.66 -0.07 -0.92 0.00 0.00 0.00 179.25 178.94 1o68 h TYR 245 N 0.60 -0.19 -0.26 0.00 3.20 -1.14 0.10 116.97 119.28 1o68 h TYR 245 Ca 0.05 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.96 1o68 h TYR 245 Cb 0.93 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 1o68 h TYR 245 CO 0.05 -0.06 0.01 0.28 -1.64 0.00 0.00 178.16 176.80 1o68 h VAL 246 N -0.28 0.83 0.08 1.81 2.07 -1.23 0.20 116.25 119.72 1o68 h VAL 246 Ca -0.02 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1o68 h VAL 246 Cb 0.22 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1o68 h VAL 246 CO 0.03 0.02 -0.10 0.00 0.02 0.00 0.00 177.57 177.55 1o68 h ALA 247 N 1.22 -0.17 -0.32 1.67 0.00 -1.05 -0.36 119.26 120.26 1o68 h ALA 247 Ca 0.12 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1o68 h ALA 247 Cb 0.15 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1o68 h ALA 247 CO -0.20 -0.61 -0.01 0.93 0.00 0.00 0.00 179.25 179.36 1o68 h GLU 248 N -0.20 0.49 -0.23 0.00 5.08 -0.71 0.62 114.58 119.62 1o68 h GLU 248 Ca 0.01 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1o68 h GLU 248 Cb 0.21 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1o68 h GLU 248 CO -0.04 0.52 -0.02 0.28 -1.00 0.00 0.00 179.01 178.75 1o68 h VAL 249 N 0.47 1.26 0.00 3.13 2.07 -0.67 0.11 116.25 122.62 1o68 h VAL 249 Ca 0.10 -0.94 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 1o68 h VAL 249 Cb 0.32 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1o68 h VAL 249 CO 0.01 0.29 -0.44 0.11 0.02 0.00 0.00 177.57 177.56 1o68 h LYS 250 N 0.18 0.00 -0.00 1.57 1.57 -0.81 -2.39 116.57 116.70 1o68 h LYS 250 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1o68 h LYS 250 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1o68 h LYS 250 CO 0.02 0.44 -0.19 0.00 -0.57 0.00 0.00 179.45 179.14 1o68 n ALA 251 N -2.40 2.86 -2.11 3.86 0.00 0.19 -4.71 120.51 118.19 1o68 n ALA 251 Ca -0.01 -0.24 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 1o68 n ALA 251 Cb 0.49 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 1o68 n ALA 251 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1o68 n LYS 252 N -1.25 -0.87 0.02 0.00 5.02 -0.40 -4.85 118.16 115.82 1o68 n LYS 252 Ca 0.10 0.58 0.11 0.00 -2.02 0.00 0.00 58.31 57.08 1o68 n LYS 252 Cb 0.31 -4.68 0.00 0.00 -0.02 0.00 0.00 35.03 30.65 1o68 n LYS 252 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1o68 n THR 253 N -3.86 0.13 -4.32 -0.18 -2.24 0.24 -4.80 114.28 99.26 1o68 n THR 253 Ca -0.13 -0.22 -0.21 0.00 -2.27 0.00 0.00 64.05 61.23 1o68 n THR 253 Cb 0.57 0.29 -0.16 0.00 -2.10 0.00 0.00 70.33 68.94 1o68 n THR 253 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1o68 s PHE 254 N -3.18 0.92 0.52 4.78 5.36 -0.97 -3.51 117.98 121.91 1o68 s PHE 254 Ca 0.04 -0.27 -0.19 0.00 -0.96 0.00 0.00 56.93 55.55 1o68 s PHE 254 Cb 0.15 -0.72 -0.07 0.00 -0.34 0.00 0.00 43.02 42.04 1o68 s PHE 254 CO 0.81 -0.17 1.08 -1.25 -1.46 0.00 0.00 175.22 174.23 1o68 s PRO 255 N 0.59 3.54 0.56 10.12 0.04 -1.26 -4.24 135.00 144.35 1o68 s PRO 255 Ca -0.09 1.45 0.07 0.00 0.04 0.00 0.00 61.00 62.47 1o68 s PRO 255 Cb -0.12 -2.05 0.07 0.00 0.04 0.00 0.00 34.50 32.44 1o68 s PRO 255 CO 0.01 -0.66 0.77 0.00 0.04 0.00 0.00 177.00 177.16 1o68 s ALA 256 N -1.95 4.43 0.31 8.56 0.00 -1.23 -4.64 121.76 127.25 1o68 s ALA 256 Ca 0.69 -1.90 0.08 0.00 0.00 0.00 0.00 51.96 50.83 1o68 s ALA 256 Cb -0.19 -1.64 0.85 0.00 0.00 0.00 0.00 23.12 22.13 1o68 s ALA 256 CO 0.25 -0.82 1.70 0.00 0.00 0.00 0.00 175.76 176.89 1o68 h ALA 257 N 0.15 1.64 0.00 0.00 0.00 -1.95 0.24 119.26 119.35 1o68 h ALA 257 Ca -0.34 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1o68 h ALA 257 Cb 1.28 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1o68 h ALA 257 CO 0.42 -0.37 0.00 1.05 0.00 0.00 0.00 179.25 180.36 1o68 h GLU 258 N 0.44 0.00 -0.60 0.00 4.11 -1.94 -2.85 114.58 113.74 1o68 h GLU 258 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.05 1o68 h GLU 258 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1o68 h GLU 258 CO -0.53 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.27 1o68 n HIS 259 N -2.77 0.94 -4.62 2.06 8.25 0.86 -4.70 115.22 115.24 1o68 n HIS 259 Ca 0.00 -0.54 -0.30 0.00 -0.26 0.00 0.00 57.72 56.62 1o68 n HIS 259 Cb 0.21 -0.07 -0.13 0.00 1.12 0.00 0.00 29.99 31.12 1o68 n HIS 259 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1o68 s ILE 260 N -1.25 2.62 -2.77 1.59 1.01 -1.08 -4.24 121.20 117.08 1o68 s ILE 260 Ca 0.42 -1.33 0.26 0.00 0.00 0.00 0.00 60.65 60.00 1o68 s ILE 260 Cb 0.24 -2.11 0.35 0.00 0.01 0.00 0.00 42.46 40.95 1o68 s ILE 260 CO 0.26 0.28 1.48 0.49 0.00 0.00 0.00 174.94 177.45