#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o68 n LEU 1 N 0.00 4.97 -4.54 1.04 4.77 -1.26 -4.82 117.00 117.16 1o68 n LEU 1 Ca 0.00 1.19 -0.42 0.00 -0.03 0.00 0.00 56.01 56.75 1o68 n LEU 1 Cb 0.00 -1.62 -0.07 0.00 -2.33 0.00 0.00 43.42 39.39 1o68 n LEU 1 CO 0.00 0.08 0.29 -0.63 -1.33 0.00 0.00 177.39 175.79 1o68 s ILE 2 N -1.15 4.95 0.45 -0.08 -1.09 0.36 -4.94 121.20 119.71 1o68 s ILE 2 Ca 0.56 0.28 0.06 0.00 -2.23 0.00 0.00 60.65 59.32 1o68 s ILE 2 Cb -0.46 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 36.34 1o68 s ILE 2 CO 0.62 -0.34 0.16 0.42 -1.23 0.00 0.00 174.94 174.57 1o68 s THR 3 N 2.54 1.93 0.45 2.92 -4.23 -1.26 -4.93 115.64 113.06 1o68 s THR 3 Ca 0.20 -1.76 0.10 0.00 -1.18 0.00 0.00 61.69 59.06 1o68 s THR 3 Cb -0.15 -2.69 0.26 0.00 1.34 0.00 0.00 72.50 71.26 1o68 s THR 3 CO 0.15 0.00 2.09 0.58 -0.54 0.00 0.00 174.62 176.90 1o68 h VAL 4 N 1.34 1.07 -0.39 2.29 2.07 -1.97 -1.75 116.25 118.92 1o68 h VAL 4 Ca -0.42 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1o68 h VAL 4 Cb 1.27 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1o68 h VAL 4 CO 0.70 0.07 0.12 -1.13 0.02 0.00 0.00 177.57 177.35 1o68 h ASN 5 N 0.35 0.57 -0.73 0.57 -0.00 -1.99 -1.33 115.58 113.00 1o68 h ASN 5 Ca 0.09 -0.21 0.12 0.00 -0.00 0.00 0.00 56.30 56.30 1o68 h ASN 5 Cb -0.03 -0.15 -0.08 0.00 -0.00 0.00 0.00 38.32 38.06 1o68 h ASN 5 CO -0.02 0.63 0.33 0.74 -0.00 0.00 0.00 177.43 179.10 1o68 h THR 6 N 0.48 0.75 -0.48 -3.57 2.02 -1.70 -0.29 112.91 110.11 1o68 h THR 6 Ca 0.12 -0.18 -0.12 0.00 0.77 0.00 0.00 66.41 67.01 1o68 h THR 6 Cb 0.27 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1o68 h THR 6 CO -0.00 0.09 -0.17 -0.07 0.37 0.00 0.00 175.52 175.74 1o68 h LEU 7 N 0.52 0.96 -0.60 2.58 3.38 -1.12 -2.79 115.31 118.24 1o68 h LEU 7 Ca 0.38 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1o68 h LEU 7 Cb 0.50 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1o68 h LEU 7 CO -0.34 1.11 0.15 1.56 0.09 0.00 0.00 178.44 181.01 1o68 h GLN 8 N 0.83 0.95 -1.12 1.13 4.20 -0.44 -1.03 115.11 119.62 1o68 h GLN 8 Ca 0.12 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1o68 h GLN 8 Cb 0.73 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1o68 h GLN 8 CO 0.06 0.87 0.00 1.63 -0.67 0.00 0.00 178.83 180.72 1o68 n LYS 9 N -4.36 0.19 0.00 1.46 5.02 -0.20 -1.33 118.16 118.94 1o68 n LYS 9 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1o68 n LYS 9 Cb 0.24 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 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 0.69 0.00 -0.22 1.97 4.81 -0.39 -1.02 118.16 124.00 1o68 n LYS 11 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1o68 n LYS 11 Cb 0.08 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.33 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 1.35 -0.00 3.14 0.00 -1.48 -1.25 119.26 121.02 1o68 h ALA 12 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1o68 h ALA 12 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1o68 h ALA 12 CO 0.00 0.54 -0.22 0.00 0.00 0.00 0.00 179.25 179.57 1o68 n ALA 13 N -2.43 2.91 -1.29 0.00 0.00 -0.19 -4.94 120.51 114.57 1o68 n ALA 13 Ca 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 1o68 n ALA 13 Cb 0.09 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 1o68 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o68 n GLY 14 N 1.44 0.48 3.51 0.00 0.00 -0.47 -5.00 105.19 105.15 1o68 n GLY 14 Ca 0.08 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.63 3.24 0.32 1.61 2.12 -1.26 -5.01 118.70 117.10 1o68 s GLU 15 Ca 0.00 -0.45 -0.29 0.00 0.36 0.00 0.00 54.97 54.59 1o68 s GLU 15 Cb 0.00 -3.96 -0.12 0.00 0.26 0.00 0.00 34.13 30.31 1o68 s GLU 15 CO 0.00 -1.00 1.43 1.63 -0.54 0.00 0.00 175.26 176.79 1o68 n LYS 16 N 6.16 2.38 -3.44 4.30 4.76 -1.26 -4.48 118.16 126.58 1o68 n LYS 16 Ca -0.03 0.84 -0.37 0.00 -2.87 0.00 0.00 58.31 55.88 1o68 n LYS 16 Cb 0.48 -2.52 -0.07 0.00 -1.84 0.00 0.00 35.03 31.08 1o68 n LYS 16 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1o68 s ILE 17 N -0.67 5.25 0.34 -0.18 1.01 -0.31 -4.66 121.20 121.98 1o68 s ILE 17 Ca 0.59 0.72 0.07 0.00 0.00 0.00 0.00 60.65 62.03 1o68 s ILE 17 Cb -0.54 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 1o68 s ILE 17 CO 0.57 0.37 0.47 0.00 0.00 0.00 0.00 174.94 176.35 1o68 s ALA 18 N 0.50 4.25 0.00 9.38 0.00 -1.26 -1.45 121.76 133.18 1o68 s ALA 18 Ca 0.21 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1o68 s ALA 18 Cb -0.14 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.31 1o68 s ALA 18 CO 0.07 -0.04 0.00 1.28 0.00 0.00 0.00 175.76 177.07 1o68 n LEU 20 N -1.64 0.00 -4.83 0.00 4.77 -1.26 -1.49 117.00 112.54 1o68 n LEU 20 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1o68 n LEU 20 Cb 0.58 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.68 1o68 n LEU 20 CO 0.42 0.00 0.71 0.42 -1.33 0.00 0.00 177.39 177.60 1o68 s THR 21 N -2.00 4.25 -0.23 -5.08 -4.23 -1.06 -1.00 115.64 106.30 1o68 s THR 21 Ca 0.00 0.90 -0.16 0.00 -1.18 0.00 0.00 61.69 61.25 1o68 s THR 21 Cb 0.00 -3.58 0.07 0.00 1.34 0.00 0.00 72.50 70.33 1o68 s THR 21 CO 0.00 -0.79 0.58 0.00 -0.54 0.00 0.00 174.62 173.87 1o68 s ALA 22 N -2.82 -1.51 0.00 3.99 0.00 -0.50 -4.75 121.76 116.17 1o68 s ALA 22 Ca 0.59 1.92 0.00 0.00 0.00 0.00 0.00 51.96 54.47 1o68 s ALA 22 Cb -0.13 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.86 1o68 s ALA 22 CO 0.44 -0.31 0.38 0.66 0.00 0.00 0.00 175.76 176.93 1o68 n TYR 23 N 3.76 0.00 -4.14 0.00 4.02 -1.26 -4.07 117.16 115.48 1o68 n TYR 23 Ca -0.19 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.90 57.54 1o68 n TYR 23 Cb 0.57 -0.01 -0.10 0.00 -0.02 0.00 0.00 39.34 39.78 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 -0.13 0.75 0.05 -0.72 2.02 -1.26 -4.68 118.70 114.73 1o68 s GLU 24 Ca 0.00 -1.26 -0.22 0.00 0.02 0.00 0.00 54.97 53.51 1o68 s GLU 24 Cb 0.00 -0.09 -0.14 0.00 0.10 0.00 0.00 34.13 34.01 1o68 s GLU 24 CO 0.00 -0.04 1.49 0.66 0.02 0.00 0.00 175.26 177.39 1o68 h SER 25 N 3.13 0.19 -0.26 -0.19 4.64 -1.87 -0.87 113.55 118.31 1o68 h SER 25 Ca -0.35 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 60.67 1o68 h SER 25 Cb 1.16 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1o68 h SER 25 CO 0.63 0.44 0.12 0.28 -0.87 0.00 0.00 176.83 177.43 1o68 h SER 26 N -0.06 0.34 -0.39 4.97 0.02 -1.96 -1.84 113.55 114.63 1o68 h SER 26 Ca 0.03 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.76 1o68 h SER 26 Cb 0.34 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1o68 h SER 26 CO 0.00 0.38 -0.08 -0.26 -1.14 0.00 0.00 176.83 175.73 1o68 h PHE 27 N 0.28 0.90 -0.76 3.45 -1.00 -1.98 -2.09 116.94 115.74 1o68 h PHE 27 Ca 0.09 -0.16 -0.02 0.00 2.81 0.00 0.00 57.97 60.69 1o68 h PHE 27 Cb 0.13 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.42 1o68 h PHE 27 CO -0.02 0.86 0.38 0.00 -1.61 0.00 0.00 178.31 177.92 1o68 h ALA 28 N 1.16 0.97 -0.42 2.45 0.00 -0.90 -2.70 119.26 119.82 1o68 h ALA 28 Ca 0.13 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1o68 h ALA 28 Cb 0.57 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1o68 h ALA 28 CO 0.03 0.52 -0.22 0.00 0.00 0.00 0.00 179.25 179.59 1o68 h ALA 29 N 1.19 0.83 0.00 0.00 0.00 -1.13 -0.16 119.26 120.00 1o68 h ALA 29 Ca 0.26 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1o68 h ALA 29 Cb 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1o68 h ALA 29 CO -0.04 0.64 0.00 -0.11 0.00 0.00 0.00 179.25 179.75 1o68 n LEU 30 N -4.11 0.17 0.00 0.00 0.00 -0.81 -1.30 117.00 110.95 1o68 n LEU 30 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 56.01 55.93 1o68 n LEU 30 Cb 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 43.42 43.78 1o68 n LEU 30 CO 0.45 0.04 0.00 -0.67 0.00 0.00 0.00 177.39 177.21 1o68 n ASP 32 N 0.47 0.00 0.17 1.96 2.03 -0.07 -0.84 116.55 120.27 1o68 n ASP 32 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 1o68 n ASP 32 Cb 0.04 0.00 0.50 0.00 -0.72 0.00 0.00 41.12 40.94 1o68 n ASP 32 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1o68 h ASP 33 N 0.00 0.14 0.00 1.67 3.32 -1.45 -2.12 116.42 117.98 1o68 h ASP 33 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1o68 h ASP 33 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1o68 h ASP 33 CO 0.00 0.20 0.00 0.00 -1.72 0.00 0.00 179.24 177.72 1o68 n ALA 34 N -2.51 2.62 -0.26 3.45 0.00 -0.02 -4.89 120.51 118.90 1o68 n ALA 34 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1o68 n ALA 34 Cb 0.17 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 0.84 0.87 3.70 0.00 0.00 -0.80 -4.47 105.19 105.33 1o68 n GLY 35 Ca 0.18 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 3.90 -1.08 1.61 1.01 -1.26 -4.84 120.40 117.74 1o68 s VAL 36 Ca 0.00 1.31 0.05 0.00 0.00 0.00 0.00 61.98 63.34 1o68 s VAL 36 Cb 0.00 -3.84 0.24 0.00 0.00 0.00 0.00 36.38 32.78 1o68 s VAL 36 CO 0.00 0.04 0.96 -0.62 0.00 0.00 0.00 175.10 175.48 1o68 n GLU 37 N 4.69 2.05 -3.20 2.72 1.02 -0.55 -4.55 120.64 122.82 1o68 n GLU 37 Ca 0.11 -0.95 0.04 0.00 -0.02 0.00 0.00 57.16 56.34 1o68 n GLU 37 Cb 0.45 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 30.25 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 -0.90 -1.00 -0.47 -4.62 1.43 -1.26 -4.61 118.68 107.25 1o68 s LEU 39 Ca 0.17 0.71 -0.20 0.00 -1.03 0.00 0.00 54.13 53.78 1o68 s LEU 39 Cb 0.12 1.87 0.04 0.00 0.03 0.00 0.00 46.19 48.25 1o68 s LEU 39 CO 0.06 -0.19 0.66 -0.22 0.23 0.00 0.00 176.35 176.90 1o68 s LEU 40 N 2.87 4.63 -1.06 1.79 2.96 -0.17 -0.14 118.68 129.55 1o68 s LEU 40 Ca 0.10 -0.54 -0.19 0.00 -0.22 0.00 0.00 54.13 53.28 1o68 s LEU 40 Cb -0.13 -2.63 0.10 0.00 0.50 0.00 0.00 46.19 44.03 1o68 s LEU 40 CO -0.17 -0.86 1.38 -0.69 -1.32 0.00 0.00 176.35 174.69 1o68 s VAL 41 N 2.85 4.43 0.39 1.68 1.01 0.16 -1.41 120.40 129.51 1o68 s VAL 41 Ca 0.21 -1.55 -0.02 0.00 0.00 0.00 0.00 61.98 60.61 1o68 s VAL 41 Cb -0.16 -4.96 -0.04 0.00 0.00 0.00 0.00 36.38 31.23 1o68 s VAL 41 CO 0.16 -1.75 0.64 -0.83 0.00 0.00 0.00 175.10 173.32 1o68 s GLY 42 N 4.02 1.47 0.00 4.51 0.00 -1.26 -1.16 107.32 114.90 1o68 s GLY 42 Ca 0.42 -0.71 0.17 0.00 0.00 0.00 0.00 44.72 44.60 1o68 s GLY 42 CO -0.05 -0.60 1.44 2.09 0.00 0.00 0.00 173.10 175.98 1o68 n ASP 43 N -1.84 0.00 0.23 1.64 5.75 -1.26 -1.94 116.55 119.13 1o68 n ASP 43 Ca -0.02 -0.27 0.16 0.00 -0.01 0.00 0.00 54.79 54.65 1o68 n ASP 43 Cb 0.55 -0.13 0.82 0.00 -1.03 0.00 0.00 41.12 41.34 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 0.36 -1.12 4.64 -1.93 0.11 113.55 115.61 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 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 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 -0.15 5.97 8.10 -1.80 -1.59 115.31 125.85 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 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.27 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 -0.69 -0.10 0.00 0.17 0.00 0.02 -1.04 105.19 103.55 1o68 n GLY 46 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.37 0.00 -0.13 4.61 0.00 -0.60 -0.02 120.51 124.00 1o68 n ALA 48 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1o68 n ALA 48 Cb 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 1.53 0.14 0.00 0.31 -0.20 -4.63 118.33 115.48 1o68 n VAL 49 Ca 0.00 -0.35 0.05 0.00 -0.01 0.00 0.00 64.34 64.03 1o68 n VAL 49 Cb 0.00 -1.88 0.04 0.00 -0.91 0.00 0.00 33.84 31.09 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 -0.94 0.00 -0.17 5.55 4.20 -1.23 -3.48 115.11 119.03 1o68 h GLN 50 Ca -0.65 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.01 1o68 h GLN 50 Cb 1.59 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.36 1o68 h GLN 50 CO -0.38 0.33 -0.05 0.41 -0.67 0.00 0.00 178.83 178.47 1o68 n GLY 51 N 1.22 0.48 3.93 3.46 0.00 -1.03 -5.04 105.19 108.20 1o68 n GLY 51 Ca 0.01 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.75 1.79 0.12 1.61 0.52 0.97 -5.00 118.95 116.21 1o68 s ARG 52 Ca 0.00 -0.23 0.25 0.00 -0.52 0.00 0.00 55.73 55.23 1o68 s ARG 52 Cb 0.00 -2.05 0.47 0.00 0.52 0.00 0.00 34.95 33.89 1o68 s ARG 52 CO 0.00 -1.59 1.42 1.63 0.02 0.00 0.00 175.30 176.78 1o68 n LYS 53 N -3.20 0.25 -4.05 3.54 5.02 -1.26 -4.86 118.16 113.59 1o68 n LYS 53 Ca 0.10 0.10 -0.12 0.00 -2.02 0.00 0.00 58.31 56.37 1o68 n LYS 53 Cb 0.60 -1.68 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 1o68 n LYS 53 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1o68 s SER 54 N -4.12 0.34 0.00 4.39 1.04 -1.26 -5.03 113.70 109.05 1o68 s SER 54 Ca 0.08 -1.21 0.25 0.00 0.48 0.00 0.00 55.95 55.55 1o68 s SER 54 Cb 0.14 0.60 0.65 0.00 0.10 0.00 0.00 66.02 67.51 1o68 s SER 54 CO 0.69 -1.18 1.52 0.35 0.98 0.00 0.00 173.24 175.60 1o68 n THR 55 N -0.44 0.07 -0.22 2.02 -2.24 -1.26 -4.51 114.28 107.69 1o68 n THR 55 Ca -0.00 -0.40 -0.05 0.00 -2.27 0.00 0.00 64.05 61.33 1o68 n THR 55 Cb 0.62 0.89 0.11 0.00 -2.10 0.00 0.00 70.33 69.84 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 3.37 0.98 -0.16 3.22 4.07 -1.91 -2.86 115.31 122.02 1o68 h LEU 56 Ca 0.00 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.78 1o68 h LEU 56 Cb 0.72 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1o68 h LEU 56 CO 0.00 0.92 0.00 -2.65 -1.08 0.00 0.00 178.44 175.63 1o68 n PRO 57 N -4.26 0.04 -1.73 1.13 -0.02 -1.26 -4.60 135.00 124.30 1o68 n PRO 57 Ca 0.05 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.41 1o68 n PRO 57 Cb 0.23 -1.58 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 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 -3.07 2.19 0.37 -1.45 1.01 -1.08 -4.99 120.40 113.37 1o68 s VAL 58 Ca 0.06 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.16 1o68 s VAL 58 Cb 0.09 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 1o68 s VAL 58 CO 0.29 0.00 0.49 -0.94 0.00 0.00 0.00 175.10 174.94 1o68 s SER 59 N 1.61 5.79 0.25 3.32 1.04 -1.26 -4.33 113.70 120.12 1o68 s SER 59 Ca 0.76 -0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.84 1o68 s SER 59 Cb -0.48 -1.00 0.28 0.00 0.10 0.00 0.00 66.02 64.92 1o68 s SER 59 CO 0.33 -0.55 1.84 0.25 0.98 0.00 0.00 173.24 176.10 1o68 h LEU 60 N 0.83 1.01 -0.90 2.42 5.85 -1.92 -1.58 115.31 121.02 1o68 h LEU 60 Ca -0.44 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.13 1o68 h LEU 60 Cb 1.26 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1o68 h LEU 60 CO 0.51 0.86 0.38 -0.09 -0.34 0.00 0.00 178.44 179.75 1o68 h ARG 61 N 1.09 1.17 -0.88 1.25 2.43 -2.01 -0.68 114.38 116.75 1o68 h ARG 61 Ca 0.26 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1o68 h ARG 61 Cb 0.13 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1o68 h ARG 61 CO -0.03 0.90 0.00 -0.25 -1.51 0.00 0.00 179.97 179.08 1o68 n ASP 62 N -4.30 0.23 0.00 -3.80 8.00 -0.59 -1.26 116.55 114.82 1o68 n ASP 62 Ca 0.08 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1o68 n ASP 62 Cb 0.15 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 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 -0.33 -0.22 0.00 3.20 -1.43 -0.04 116.97 118.15 1o68 h TYR 65 Ca 0.00 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1o68 h TYR 65 Cb 0.00 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1o68 h TYR 65 CO 0.00 -0.18 -0.20 0.45 -1.64 0.00 0.00 178.16 176.59 1o68 h HIS 66 N -0.39 0.42 -0.49 -3.82 3.86 -1.61 -1.51 115.15 111.61 1o68 h HIS 66 Ca -0.04 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1o68 h HIS 66 Cb 0.30 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1o68 h HIS 66 CO -0.05 0.57 0.29 1.15 0.86 0.00 0.00 177.93 180.75 1o68 h THR 67 N 0.35 1.16 -0.32 2.45 2.02 -1.73 -1.11 112.91 115.73 1o68 h THR 67 Ca 0.06 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1o68 h THR 67 Cb 0.55 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1o68 h THR 67 CO 0.04 0.16 0.21 -0.33 0.37 0.00 0.00 175.52 175.97 1o68 h GLU 68 N 0.66 0.43 0.10 6.66 5.08 -0.55 -0.34 114.58 126.62 1o68 h GLU 68 Ca 0.18 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1o68 h GLU 68 Cb 0.01 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1o68 h GLU 68 CO -0.03 0.30 -0.22 0.00 -1.00 0.00 0.00 179.01 178.06 1o68 h VAL 70 N -0.40 1.10 0.00 0.00 2.07 -1.09 -1.29 116.25 116.64 1o68 h VAL 70 Ca 0.03 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1o68 h VAL 70 Cb 0.43 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1o68 h VAL 70 CO -0.13 0.18 -0.05 0.00 0.02 0.00 0.00 177.57 177.60 1o68 h ALA 71 N 1.52 1.06 0.00 1.67 0.00 -0.87 -0.95 119.26 121.69 1o68 h ALA 71 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1o68 h ALA 71 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1o68 h ALA 71 CO -0.12 0.06 -0.14 0.54 0.00 0.00 0.00 179.25 179.59 1o68 n ARG 72 N -3.23 0.25 -0.10 0.00 1.74 -0.49 -3.94 116.66 110.89 1o68 n ARG 72 Ca -0.01 0.17 -0.14 0.00 -0.77 0.00 0.00 57.85 57.10 1o68 n ARG 72 Cb 0.25 -1.76 -0.14 0.00 -1.02 0.00 0.00 32.46 29.79 1o68 n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1o68 n GLY 73 N 1.33 -0.70 3.76 -0.13 0.00 -0.51 -5.01 105.19 103.93 1o68 n GLY 73 Ca 0.05 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.52 2.80 0.05 4.61 0.00 -0.48 -3.82 121.76 122.40 1o68 s ALA 74 Ca -0.21 1.12 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1o68 s ALA 74 Cb 0.07 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1o68 s ALA 74 CO 0.73 -1.08 0.00 1.63 0.00 0.00 0.00 175.76 177.04 1o68 n LYS 75 N -1.00 0.00 -0.08 0.00 4.01 -1.26 -4.95 118.16 114.88 1o68 n LYS 75 Ca 0.10 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.84 1o68 n LYS 75 Cb 0.47 -0.13 -0.16 0.00 -0.51 0.00 0.00 35.03 34.70 1o68 n LYS 75 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1o68 n ASN 76 N -2.85 0.14 0.00 4.39 5.03 -1.26 -4.91 115.26 115.80 1o68 n ASN 76 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1o68 n ASN 76 Cb 0.00 1.18 0.00 0.00 -1.02 0.00 0.00 39.78 39.94 1o68 n ASN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1o68 n ALA 77 N -2.63 0.00 -3.62 5.41 0.00 -1.26 -0.48 120.51 117.92 1o68 n ALA 77 Ca -0.27 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.10 1o68 n ALA 77 Cb 1.03 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.39 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 -0.70 -0.19 0.00 1.01 -1.26 -4.79 121.20 115.27 1o68 s ILE 79 Ca 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 1o68 s ILE 79 Cb 0.00 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.72 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 2.65 3.87 -0.09 2.92 1.01 0.80 -0.78 120.40 130.78 1o68 s VAL 80 Ca -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1o68 s VAL 80 Cb -0.12 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 1o68 s VAL 80 CO -0.14 0.44 -0.13 -0.44 0.00 0.00 0.00 175.10 174.83 1o68 s SER 81 N 0.88 4.05 0.37 3.32 0.01 -1.26 0.36 113.70 121.43 1o68 s SER 81 Ca 0.00 -0.26 -0.26 0.00 1.31 0.00 0.00 55.95 56.75 1o68 s SER 81 Cb -0.14 -1.28 -0.09 0.00 0.21 0.00 0.00 66.02 64.71 1o68 s SER 81 CO 0.02 0.25 1.13 -1.81 0.41 0.00 0.00 173.24 173.23 1o68 s ASP 82 N -0.13 6.74 -0.25 2.44 1.01 -0.31 -1.18 116.67 124.99 1o68 s ASP 82 Ca -0.01 2.27 -0.22 0.00 0.71 0.00 0.00 52.55 55.30 1o68 s ASP 82 Cb -0.14 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.17 1o68 s ASP 82 CO 0.03 -0.51 0.69 -0.76 0.21 0.00 0.00 175.17 174.83 1o68 s LEU 83 N -2.29 4.07 0.54 1.23 1.43 -0.41 -4.85 118.68 118.40 1o68 s LEU 83 Ca 0.54 0.81 -0.18 0.00 -1.03 0.00 0.00 54.13 54.27 1o68 s LEU 83 Cb -0.29 -2.96 -0.06 0.00 0.03 0.00 0.00 46.19 42.91 1o68 s LEU 83 CO 0.37 -0.42 1.04 -2.16 0.23 0.00 0.00 176.35 175.41 1o68 s PRO 84 N 2.61 3.58 0.16 1.29 0.04 -1.26 -4.87 135.00 136.55 1o68 s PRO 84 Ca 0.29 1.26 -0.34 0.00 0.04 0.00 0.00 61.00 62.25 1o68 s PRO 84 Cb -0.15 -2.07 -0.15 0.00 0.04 0.00 0.00 34.50 32.17 1o68 s PRO 84 CO 0.08 -0.60 1.43 0.34 0.04 0.00 0.00 177.00 178.29 1o68 n PHE 85 N -1.52 1.93 0.00 0.56 7.35 -1.26 -1.53 117.46 122.99 1o68 n PHE 85 Ca 0.09 0.45 0.00 0.00 -0.76 0.00 0.00 57.45 57.23 1o68 n PHE 85 Cb 0.53 -2.44 0.00 0.00 0.35 0.00 0.00 39.48 37.92 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 2.74 2.67 0.09 7.13 0.00 -1.26 -4.89 105.19 111.68 1o68 n GLY 86 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.93 3.55 -0.46 4.61 0.00 -0.58 -4.56 120.51 122.13 1o68 n ALA 87 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1o68 n ALA 87 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 1.30 0.00 4.11 -1.26 -4.39 117.16 115.72 1o68 n TYR 88 Ca 0.07 0.00 0.14 0.00 -0.00 0.00 0.00 57.90 58.11 1o68 n TYR 88 Cb 0.34 0.00 0.54 0.00 -0.00 0.00 0.00 39.34 40.23 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 0.00 0.56 -0.16 -3.48 3.00 -1.26 -3.52 117.38 112.52 1o68 n GLN 89 Ca 0.00 -0.22 -0.07 0.00 -0.01 0.00 0.00 57.00 56.70 1o68 n GLN 89 Cb 0.06 -1.50 0.09 0.00 0.00 0.00 0.00 30.24 28.90 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 0.53 0.94 -1.91 -1.09 4.15 -1.90 -3.47 115.11 112.36 1o68 h GLN 90 Ca 0.00 -0.28 0.22 0.00 0.77 0.00 0.00 58.65 59.36 1o68 h GLN 90 Cb 0.41 -0.10 -0.12 0.00 0.21 0.00 0.00 27.48 27.88 1o68 h GLN 90 CO 0.00 0.93 0.64 -1.54 -1.93 0.00 0.00 178.83 176.94 1o68 s SER 91 N -6.61 -0.17 0.41 -0.69 1.04 -1.26 -4.99 113.70 101.44 1o68 s SER 91 Ca -0.11 -0.18 0.16 0.00 0.48 0.00 0.00 55.95 56.31 1o68 s SER 91 Cb 0.14 0.31 0.89 0.00 0.10 0.00 0.00 66.02 67.46 1o68 s SER 91 CO 0.84 -0.56 1.88 0.07 0.98 0.00 0.00 173.24 176.45 1o68 h LYS 92 N 2.00 0.00 -0.36 4.02 2.10 -1.91 -1.59 116.57 120.83 1o68 h LYS 92 Ca -0.23 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.30 1o68 h LYS 92 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1o68 h LYS 92 CO 0.27 0.30 -0.26 0.93 -2.00 0.00 0.00 179.45 178.69 1o68 h GLU 93 N 0.00 0.75 -0.16 0.07 3.07 -1.95 -1.04 114.58 115.31 1o68 h GLU 93 Ca -0.00 -0.32 -0.07 0.00 -0.50 0.00 0.00 59.36 58.47 1o68 h GLU 93 Cb 0.58 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1o68 h GLU 93 CO 0.04 0.93 -0.18 0.37 -1.40 0.00 0.00 179.01 178.76 1o68 h GLN 94 N 0.64 0.40 -0.68 2.33 4.15 -1.74 -2.35 115.11 117.88 1o68 h GLN 94 Ca 0.08 -0.22 0.07 0.00 0.77 0.00 0.00 58.65 59.36 1o68 h GLN 94 Cb 0.77 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.41 1o68 h GLN 94 CO 0.06 0.79 0.35 0.00 -1.93 0.00 0.00 178.83 178.11 1o68 h ALA 95 N 0.60 0.92 -0.56 3.38 0.00 -1.20 -1.16 119.26 121.24 1o68 h ALA 95 Ca 0.02 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1o68 h ALA 95 Cb 0.73 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1o68 h ALA 95 CO 0.04 -0.01 0.34 0.35 0.00 0.00 0.00 179.25 179.97 1o68 h PHE 96 N 0.63 0.64 -0.77 0.00 3.57 -1.10 0.73 116.94 120.64 1o68 h PHE 96 Ca 0.32 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.79 1o68 h PHE 96 Cb 0.27 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1o68 h PHE 96 CO -0.10 0.37 0.30 0.00 -2.23 0.00 0.00 178.31 176.66 1o68 h ALA 97 N 1.24 1.00 -0.35 2.41 0.00 -0.82 0.09 119.26 122.83 1o68 h ALA 97 Ca 0.22 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1o68 h ALA 97 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1o68 h ALA 97 CO -0.09 0.62 -0.18 0.00 0.00 0.00 0.00 179.25 179.60 1o68 h ALA 98 N 1.16 0.49 -0.75 0.00 0.00 -1.06 -2.55 119.26 116.55 1o68 h ALA 98 Ca 0.26 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1o68 h ALA 98 Cb 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1o68 h ALA 98 CO -0.02 0.43 0.30 0.00 0.00 0.00 0.00 179.25 179.96 1o68 h ALA 99 N 0.78 1.12 -0.67 0.00 0.00 -0.60 -1.90 119.26 117.99 1o68 h ALA 99 Ca 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1o68 h ALA 99 Cb 0.73 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1o68 h ALA 99 CO 0.05 0.63 0.23 0.00 0.00 0.00 0.00 179.25 180.17 1o68 h ALA 100 N 1.25 1.15 -0.56 0.00 0.00 -0.90 -2.46 119.26 117.73 1o68 h ALA 100 Ca 0.25 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1o68 h ALA 100 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1o68 h ALA 100 CO -0.02 0.60 0.12 0.93 0.00 0.00 0.00 179.25 180.87 1o68 h GLU 101 N 0.97 0.92 -1.77 0.00 5.08 -1.01 -0.48 114.58 118.29 1o68 h GLU 101 Ca 0.22 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1o68 h GLU 101 Cb 0.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1o68 h GLU 101 CO -0.01 0.87 0.00 1.28 -1.00 0.00 0.00 179.01 180.14 1o68 n LEU 102 N -4.37 0.76 0.00 1.33 4.77 -0.76 -1.14 117.00 117.59 1o68 n LEU 102 Ca 0.02 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1o68 n LEU 102 Cb 0.25 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1o68 n LEU 102 CO 0.41 0.13 0.00 0.00 -1.33 0.00 0.00 177.39 176.60 1o68 n ALA 104 N 0.94 0.00 1.46 -1.18 0.00 -0.19 -1.55 120.51 120.00 1o68 n ALA 104 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1o68 n ALA 104 Cb 0.12 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.33 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 2.47 0.00 0.00 0.00 -0.29 -4.88 120.51 117.81 1o68 n ALA 105 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1o68 n ALA 105 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 1.16 1.26 3.76 0.00 0.00 -1.10 -3.32 105.19 106.95 1o68 n GLY 106 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.91 2.30 -0.70 4.61 0.00 -0.59 -4.83 121.76 120.63 1o68 s ALA 107 Ca 0.00 0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.52 1o68 s ALA 107 Cb 0.00 -3.32 0.22 0.00 0.00 0.00 0.00 23.12 20.02 1o68 s ALA 107 CO 0.00 -1.60 1.17 0.72 0.00 0.00 0.00 175.76 176.05 1o68 n HIS 108 N -2.96 0.33 -3.96 0.00 8.25 0.04 -4.83 115.22 112.09 1o68 n HIS 108 Ca 0.10 -0.48 -0.09 0.00 -0.26 0.00 0.00 57.72 56.99 1o68 n HIS 108 Cb 0.52 -0.03 -0.11 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.99 0.11 -0.09 1.59 -7.23 -0.47 -4.51 120.40 108.81 1o68 s VAL 110 Ca 0.17 -0.94 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1o68 s VAL 110 Cb 0.09 -0.44 -0.02 0.00 0.56 0.00 0.00 36.38 36.57 1o68 s VAL 110 CO 0.12 -0.52 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.51 1o68 s LYS 111 N -1.71 2.94 0.07 4.82 2.20 -0.32 0.20 119.74 127.93 1o68 s LYS 111 Ca -0.13 -0.66 0.05 0.00 -0.36 0.00 0.00 55.97 54.86 1o68 s LYS 111 Cb -0.08 -2.53 -0.03 0.00 -1.51 0.00 0.00 37.83 33.68 1o68 s LYS 111 CO -0.01 0.45 -0.13 -0.48 -0.36 0.00 0.00 175.35 174.82 1o68 s LEU 112 N -0.26 2.27 -0.11 5.43 0.05 -0.69 -1.29 118.68 124.08 1o68 s LEU 112 Ca 0.02 -0.60 -0.05 0.00 0.05 0.00 0.00 54.13 53.55 1o68 s LEU 112 Cb -0.13 -0.46 -0.04 0.00 -2.05 0.00 0.00 46.19 43.52 1o68 s LEU 112 CO 0.03 -0.10 0.07 -1.61 -0.55 0.00 0.00 176.35 174.19 1o68 s GLU 113 N -1.70 3.29 0.00 1.48 2.02 -1.26 -0.52 118.70 122.02 1o68 s GLU 113 Ca -0.03 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1o68 s GLU 113 Cb -0.10 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1o68 s GLU 113 CO 0.02 0.68 0.00 0.41 0.02 0.00 0.00 175.26 176.39 1o68 n GLY 114 N 2.24 4.51 0.00 -1.39 0.00 -0.92 -4.94 105.19 104.69 1o68 n GLY 114 Ca -0.19 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.88 1.21 0.32 -0.02 0.00 -1.26 -4.70 105.19 98.86 1o68 n GLY 115 Ca 0.00 -1.51 0.15 0.00 0.00 0.00 0.00 46.02 44.66 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 0.46 0.00 1.61 2.07 -1.87 -3.24 116.25 115.28 1o68 h VAL 116 Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1o68 h VAL 116 Cb 0.00 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1o68 h VAL 116 CO 0.00 0.07 0.00 -2.67 0.02 0.00 0.00 177.57 174.99 1o68 n TRP 117 N -5.04 0.00 0.00 1.57 4.27 -1.26 -4.37 117.44 112.61 1o68 n TRP 117 Ca 0.23 -0.08 0.00 0.00 -3.89 0.00 0.00 57.50 53.76 1o68 n TRP 117 Cb 0.69 -0.23 0.00 0.00 -1.36 0.00 0.00 31.31 30.41 1o68 n TRP 117 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1o68 n ALA 119 N 1.66 0.00 -0.29 -1.67 0.00 -1.23 -4.72 120.51 114.27 1o68 n ALA 119 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1o68 n ALA 119 Cb 0.05 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.56 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 1.13 -0.57 0.00 4.81 -1.94 -0.15 114.58 117.87 1o68 h GLU 120 Ca 0.00 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.03 1o68 h GLU 120 Cb 0.00 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 1o68 h GLU 120 CO 0.00 0.88 0.24 1.15 -0.73 0.00 0.00 179.01 180.56 1o68 h THR 121 N 1.11 1.22 -0.41 0.32 2.02 -1.94 -0.93 112.91 114.29 1o68 h THR 121 Ca 0.27 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.82 1o68 h THR 121 Cb 0.13 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1o68 h THR 121 CO -0.03 0.26 0.20 0.74 0.37 0.00 0.00 175.52 177.06 1o68 h THR 122 N 0.78 0.97 -0.29 3.16 2.02 -1.79 -1.28 112.91 116.48 1o68 h THR 122 Ca 0.19 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1o68 h THR 122 Cb 0.17 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1o68 h THR 122 CO -0.02 0.08 0.19 -0.08 0.37 0.00 0.00 175.52 176.05 1o68 h GLU 123 N 0.41 0.38 -0.31 6.66 4.81 -0.77 -1.38 114.58 124.38 1o68 h GLU 123 Ca 0.18 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1o68 h GLU 123 Cb 0.09 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1o68 h GLU 123 CO -0.13 0.26 0.05 0.35 -0.73 0.00 0.00 179.01 178.82 1o68 h PHE 124 N 0.38 0.07 -0.19 0.92 3.57 -0.76 -2.99 116.94 117.94 1o68 h PHE 124 Ca 0.11 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1o68 h PHE 124 Cb -0.03 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1o68 h PHE 124 CO -0.05 0.00 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.92 1o68 h LEU 125 N 0.15 0.37 -2.78 0.59 4.07 -1.09 -3.12 115.31 113.50 1o68 h LEU 125 Ca 0.15 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.75 1o68 h LEU 125 Cb 0.17 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1o68 h LEU 125 CO -0.21 0.64 0.00 1.67 -1.08 0.00 0.00 178.44 179.46 1o68 n GLN 126 N -4.65 0.09 0.00 1.13 0.00 -0.53 -1.76 117.38 111.66 1o68 n GLN 126 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.95 1o68 n GLN 126 Cb 0.27 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 29.05 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 -0.55 3.69 1.74 -1.18 -4.24 116.66 117.48 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 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.49 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 0.76 3.46 -0.13 0.00 -1.17 -5.04 105.19 103.06 1o68 n GLY 129 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.70 5.20 0.29 -0.61 1.01 -0.73 -5.05 121.20 118.61 1o68 s ILE 130 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 60.65 59.70 1o68 s ILE 130 Cb 0.00 -3.88 -0.10 0.00 0.01 0.00 0.00 42.46 38.49 1o68 s ILE 130 CO 0.00 -0.29 1.40 -2.84 0.00 0.00 0.00 174.94 173.21 1o68 s PRO 131 N 1.67 4.28 -0.07 2.79 0.02 -1.26 -3.04 135.00 139.39 1o68 s PRO 131 Ca 0.05 2.30 0.04 0.00 0.02 0.00 0.00 61.00 63.41 1o68 s PRO 131 Cb -0.19 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.25 1o68 s PRO 131 CO 0.10 -0.35 -0.19 0.08 -0.33 0.00 0.00 177.00 176.30 1o68 s VAL 132 N -0.54 1.67 -0.35 3.83 1.01 -1.26 -1.37 120.40 123.39 1o68 s VAL 132 Ca 0.55 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 1o68 s VAL 132 Cb -0.42 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 1o68 s VAL 132 CO 0.49 0.47 0.28 0.00 0.00 0.00 0.00 175.10 176.34 1o68 s ALA 134 N 1.78 3.48 -0.36 0.00 0.00 -0.19 -1.70 121.76 124.77 1o68 s ALA 134 Ca 0.07 -0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 1o68 s ALA 134 Cb -0.17 -2.88 0.01 0.00 0.00 0.00 0.00 23.12 20.08 1o68 s ALA 134 CO 0.11 -0.31 0.21 -1.58 0.00 0.00 0.00 175.76 174.19 1o68 s HIS 135 N 1.34 3.23 0.52 0.00 5.04 0.32 0.37 115.29 126.11 1o68 s HIS 135 Ca 0.30 -0.72 0.01 0.00 -1.54 0.00 0.00 55.06 53.11 1o68 s HIS 135 Cb -0.16 -2.45 -0.00 0.00 0.04 0.00 0.00 32.58 30.01 1o68 s HIS 135 CO 0.12 -0.56 0.01 0.96 -2.34 0.00 0.00 174.74 172.93 1o68 s ILE 136 N 1.61 1.08 0.00 0.89 -4.36 0.43 -2.16 121.20 118.69 1o68 s ILE 136 Ca 0.04 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 1o68 s ILE 136 Cb -0.18 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.45 1o68 s ILE 136 CO 0.08 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.87 1o68 n GLY 137 N -1.30 0.81 3.64 6.27 0.00 -1.26 -2.29 105.19 111.06 1o68 n GLY 137 Ca -0.20 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 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 4.03 -0.36 0.99 1.98 -0.36 -4.93 118.68 120.03 1o68 s LEU 138 Ca 0.00 1.14 0.00 0.00 -2.89 0.00 0.00 54.13 52.38 1o68 s LEU 138 Cb 0.00 -3.46 0.10 0.00 0.66 0.00 0.00 46.19 43.49 1o68 s LEU 138 CO 0.00 -0.74 0.10 0.42 -1.89 0.00 0.00 176.35 174.24 1o68 s THR 139 N 3.33 2.76 0.54 3.68 -4.23 -1.26 -4.56 115.64 115.90 1o68 s THR 139 Ca 0.42 -2.07 0.37 0.00 -1.18 0.00 0.00 61.69 59.23 1o68 s THR 139 Cb -0.14 -2.90 0.55 0.00 1.34 0.00 0.00 72.50 71.36 1o68 s THR 139 CO 0.11 -0.54 1.80 -0.65 -0.54 0.00 0.00 174.62 174.80 1o68 h PRO 140 N 7.84 0.00 0.00 3.99 0.11 -1.99 0.26 132.00 142.21 1o68 h PRO 140 Ca -0.11 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 1o68 h PRO 140 Cb 1.04 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1o68 h PRO 140 CO 0.59 0.00 -0.04 1.96 -0.21 0.00 0.00 178.00 180.30 1o68 h GLN 141 N 0.00 0.00 -0.68 1.05 4.20 -1.96 -1.15 115.11 116.57 1o68 h GLN 141 Ca 0.56 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.93 1o68 h GLN 141 Cb 2.26 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 29.84 1o68 h GLN 141 CO -0.01 0.04 0.29 -1.13 -0.67 0.00 0.00 178.83 177.35 1o68 n SER 142 N -3.24 3.27 -0.04 1.46 3.41 0.91 -4.69 113.62 114.70 1o68 n SER 142 Ca -0.01 -3.65 0.07 0.00 -0.26 0.00 0.00 58.87 55.02 1o68 n SER 142 Cb 0.21 -0.74 0.45 0.00 -0.26 0.00 0.00 64.21 63.88 1o68 n SER 142 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1o68 h VAL 143 N 1.14 1.02 0.00 -3.33 3.04 -1.28 -1.20 116.25 115.64 1o68 h VAL 143 Ca 0.42 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.93 1o68 h VAL 143 Cb 2.28 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 32.03 1o68 h VAL 143 CO 0.75 0.09 0.00 -0.26 -1.01 0.00 0.00 177.57 177.14 1o68 h PHE 144 N 0.50 0.00 0.00 3.17 -1.00 -1.84 -3.52 116.94 114.25 1o68 h PHE 144 Ca 0.21 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.99 1o68 h PHE 144 Cb 0.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.75 1o68 h PHE 144 CO -0.00 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.70 1o68 n ALA 145 N -2.06 0.00 0.00 2.45 0.00 -0.46 -5.28 120.51 115.17 1o68 n ALA 145 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1o68 n ALA 145 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1o68 n ALA 145 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1o68 n LYS 157 N 0.00 0.00 -0.08 0.00 4.76 -1.26 -5.16 118.16 116.42 1o68 n LYS 157 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 1o68 n LYS 157 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 1o68 n LYS 157 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1o68 h ALA 158 N 0.00 0.32 -0.00 7.82 0.00 -2.04 -1.62 119.26 123.74 1o68 h ALA 158 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1o68 h ALA 158 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1o68 h ALA 158 CO 0.00 -0.01 -0.41 0.37 0.00 0.00 0.00 179.25 179.20 1o68 h GLN 159 N 0.22 0.00 -0.10 0.00 4.15 -2.04 -2.18 115.11 115.16 1o68 h GLN 159 Ca 0.08 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 1o68 h GLN 159 Cb 0.30 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 1o68 h GLN 159 CO 0.00 0.41 -0.01 0.00 -1.93 0.00 0.00 178.83 177.30 1o68 h ALA 160 N 1.59 0.14 -0.20 3.38 0.00 -1.95 -0.80 119.26 121.43 1o68 h ALA 160 Ca -0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1o68 h ALA 160 Cb 0.72 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1o68 h ALA 160 CO 0.05 -0.16 -0.07 1.25 0.00 0.00 0.00 179.25 180.33 1o68 h LEU 161 N -0.11 -0.23 -0.78 0.00 5.85 -1.11 0.60 115.31 119.53 1o68 h LEU 161 Ca 0.03 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1o68 h LEU 161 Cb 0.38 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1o68 h LEU 161 CO 0.01 -0.09 0.49 -0.07 -0.34 0.00 0.00 178.44 178.44 1o68 h LEU 162 N -0.03 0.93 -0.47 2.25 3.38 -1.41 -0.78 115.31 119.18 1o68 h LEU 162 Ca 0.10 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1o68 h LEU 162 Cb 0.18 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1o68 h LEU 162 CO -0.22 0.71 0.29 0.78 0.09 0.00 0.00 178.44 180.09 1o68 h ASN 163 N 1.07 0.56 0.09 -0.43 2.35 -0.52 0.70 115.58 119.40 1o68 h ASN 163 Ca 0.28 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1o68 h ASN 163 Cb -0.07 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 1o68 h ASN 163 CO -0.06 0.44 -0.05 0.44 -1.65 0.00 0.00 177.43 176.55 1o68 h ASP 164 N 0.63 -0.13 -0.47 5.81 3.32 -0.52 0.46 116.42 125.51 1o68 h ASP 164 Ca 0.17 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.25 1o68 h ASP 164 Cb -0.02 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1o68 h ASP 164 CO -0.03 -0.09 0.28 0.00 -1.72 0.00 0.00 179.24 177.67 1o68 h ALA 165 N 0.76 0.60 -0.26 3.45 0.00 -1.02 -1.75 119.26 121.05 1o68 h ALA 165 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1o68 h ALA 165 Cb 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1o68 h ALA 165 CO 0.01 -0.04 0.10 0.87 0.00 0.00 0.00 179.25 180.19 1o68 h LYS 166 N 0.55 0.40 -0.76 0.00 1.57 -0.70 -0.96 116.57 116.67 1o68 h LYS 166 Ca 0.19 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1o68 h LYS 166 Cb 0.03 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 1o68 h LYS 166 CO -0.09 0.45 0.50 0.00 -0.57 0.00 0.00 179.45 179.73 1o68 h ALA 167 N 0.93 0.98 -0.45 3.86 0.00 -0.83 0.40 119.26 124.16 1o68 h ALA 167 Ca 0.09 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1o68 h ALA 167 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1o68 h ALA 167 CO -0.01 0.34 -0.08 0.45 0.00 0.00 0.00 179.25 179.96 1o68 h HIS 168 N 1.00 0.94 -0.77 0.00 3.86 -1.13 -1.51 115.15 117.53 1o68 h HIS 168 Ca 0.29 -0.19 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1o68 h HIS 168 Cb -0.06 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.14 1o68 h HIS 168 CO -0.03 0.93 0.35 0.22 0.86 0.00 0.00 177.93 180.27 1o68 h ASP 169 N 0.68 1.02 0.58 2.45 -0.00 -0.93 -1.48 116.42 118.74 1o68 h ASP 169 Ca 0.12 -0.13 -0.09 0.00 -0.00 0.00 0.00 57.03 56.93 1o68 h ASP 169 Cb 0.61 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 39.67 1o68 h ASP 169 CO 0.04 0.87 -0.42 0.44 -0.00 0.00 0.00 179.24 180.17 1o68 h ASP 170 N 1.10 0.00 0.96 2.28 3.32 -0.79 -2.28 116.42 121.02 1o68 h ASP 170 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1o68 h ASP 170 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1o68 h ASP 170 CO -0.03 0.42 0.00 0.00 -1.72 0.00 0.00 179.24 177.91 1o68 n ALA 171 N -2.39 2.21 0.00 3.45 0.00 -0.58 -4.92 120.51 118.28 1o68 n ALA 171 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1o68 n ALA 171 Cb 0.48 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 1.22 1.16 3.72 0.00 0.00 -0.86 -3.83 105.19 106.60 1o68 n GLY 172 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.75 1.74 0.08 4.61 0.00 -0.63 -4.77 120.51 119.80 1o68 n ALA 173 Ca 0.00 0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.69 1o68 n ALA 173 Cb 0.00 -2.33 -0.11 0.00 0.00 0.00 0.00 19.45 17.00 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 3.28 0.26 -3.02 0.00 0.00 -1.50 -3.44 119.26 114.84 1o68 h ALA 174 Ca -0.47 -0.87 -0.16 0.00 0.00 0.00 0.00 54.91 53.40 1o68 h ALA 174 Cb 1.26 -0.07 -0.23 0.00 0.00 0.00 0.00 17.79 18.75 1o68 h ALA 174 CO 0.68 1.08 -0.50 0.08 0.00 0.00 0.00 179.25 180.58 1o68 s VAL 175 N -2.75 0.04 -0.19 0.00 1.01 -1.14 -4.08 120.40 113.29 1o68 s VAL 175 Ca -0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1o68 s VAL 175 Cb 0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 1o68 s VAL 175 CO 0.85 -0.20 -0.09 -0.69 0.00 0.00 0.00 175.10 174.98 1o68 s VAL 176 N -0.68 3.11 0.31 2.92 1.01 -0.73 -1.03 120.40 125.32 1o68 s VAL 176 Ca -0.08 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1o68 s VAL 176 Cb -0.05 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.99 1o68 s VAL 176 CO 0.01 0.46 0.29 -0.11 0.00 0.00 0.00 175.10 175.75 1o68 n LEU 177 N 4.47 0.00 -3.63 3.92 0.00 0.16 -0.86 117.00 121.06 1o68 n LEU 177 Ca -0.19 -1.56 0.01 0.00 0.00 0.00 0.00 56.01 54.26 1o68 n LEU 177 Cb 0.51 -0.08 -0.06 0.00 0.00 0.00 0.00 43.42 43.79 1o68 n LEU 177 CO 0.29 -0.49 0.86 -0.70 0.00 0.00 0.00 177.39 177.35 1o68 s GLU 179 N -3.33 0.18 -0.86 1.96 2.12 -0.97 -0.43 118.70 117.38 1o68 s GLU 179 Ca 0.22 0.32 -0.04 0.00 0.36 0.00 0.00 54.97 55.83 1o68 s GLU 179 Cb -0.02 0.05 -0.00 0.00 0.26 0.00 0.00 34.13 34.41 1o68 s GLU 179 CO 0.14 -0.04 0.69 0.00 -0.54 0.00 0.00 175.26 175.51 1o68 s VAL 181 N -3.10 1.29 0.04 0.00 1.01 0.06 -4.48 120.40 115.22 1o68 s VAL 181 Ca 0.11 -0.87 -0.35 0.00 0.00 0.00 0.00 61.98 60.86 1o68 s VAL 181 Cb -0.04 -1.11 -0.15 0.00 0.00 0.00 0.00 36.38 35.09 1o68 s VAL 181 CO 0.82 0.22 1.58 -0.11 0.00 0.00 0.00 175.10 177.62 1o68 n LEU 182 N 2.29 2.65 -0.25 3.92 7.94 -1.26 -4.21 117.00 128.08 1o68 n LEU 182 Ca -0.16 1.07 0.05 0.00 -1.11 0.00 0.00 56.01 55.87 1o68 n LEU 182 Cb 0.54 -1.31 0.17 0.00 0.53 0.00 0.00 43.42 43.35 1o68 n LEU 182 CO 0.24 -0.49 0.91 0.00 -1.11 0.00 0.00 177.39 176.94 1o68 h ALA 183 N 6.27 0.91 -0.96 1.96 0.00 -1.89 -1.26 119.26 124.27 1o68 h ALA 183 Ca -0.47 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1o68 h ALA 183 Cb 1.29 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 1o68 h ALA 183 CO 0.87 -0.36 0.61 1.05 0.00 0.00 0.00 179.25 181.42 1o68 h GLU 184 N 0.22 1.29 -0.33 0.00 4.11 -1.88 -1.21 114.58 116.78 1o68 h GLU 184 Ca 0.41 -0.10 -0.11 0.00 0.07 0.00 0.00 59.36 59.63 1o68 h GLU 184 Cb 0.71 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1o68 h GLU 184 CO -0.54 0.88 -0.26 1.25 0.07 0.00 0.00 179.01 180.40 1o68 h LEU 185 N 1.32 0.69 -0.88 3.06 6.46 -1.68 -2.78 115.31 121.50 1o68 h LEU 185 Ca 0.35 -0.26 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 1o68 h LEU 185 Cb -0.10 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.60 1o68 h LEU 185 CO -0.07 0.93 0.34 0.00 -0.62 0.00 0.00 178.44 179.02 1o68 h ALA 186 N 1.12 1.11 -0.27 1.25 0.00 -0.38 -1.97 119.26 120.11 1o68 h ALA 186 Ca 0.08 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1o68 h ALA 186 Cb 0.75 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1o68 h ALA 186 CO 0.06 0.65 0.07 -0.22 0.00 0.00 0.00 179.25 179.81 1o68 h LYS 187 N 1.14 0.18 -0.41 0.00 3.64 -1.06 -1.69 116.57 118.37 1o68 h LYS 187 Ca 0.27 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1o68 h LYS 187 Cb 0.17 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1o68 h LYS 187 CO -0.03 0.12 0.23 0.87 -2.27 0.00 0.00 179.45 178.37 1o68 h LYS 188 N 0.19 0.57 -0.20 1.90 1.57 -1.17 -1.93 116.57 117.50 1o68 h LYS 188 Ca 0.12 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1o68 h LYS 188 Cb 0.11 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1o68 h LYS 188 CO -0.14 0.46 -0.06 0.28 -0.57 0.00 0.00 179.45 179.42 1o68 h VAL 189 N 0.53 0.78 -0.88 0.50 2.07 -1.32 -0.16 116.25 117.78 1o68 h VAL 189 Ca 0.14 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.71 1o68 h VAL 189 Cb 0.05 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1o68 h VAL 189 CO -0.02 0.00 0.57 0.74 0.02 0.00 0.00 177.57 178.88 1o68 h THR 190 N -0.01 1.11 0.00 2.57 2.02 -0.91 -0.68 112.91 117.01 1o68 h THR 190 Ca 0.10 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 1o68 h THR 190 Cb 0.16 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1o68 h THR 190 CO -0.21 0.19 -0.39 -0.33 0.37 0.00 0.00 175.52 175.15 1o68 h GLU 191 N 1.05 0.00 0.00 6.66 5.08 -1.06 -3.32 114.58 122.98 1o68 h GLU 191 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1o68 h GLU 191 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1o68 h GLU 191 CO -0.12 0.39 -1.60 0.25 -1.00 0.00 0.00 179.01 176.93 1o68 n THR 192 N -3.36 0.02 -3.59 1.13 -2.24 -0.10 -4.96 114.28 101.18 1o68 n THR 192 Ca 0.01 -0.32 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 1o68 n THR 192 Cb 0.59 0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 69.12 1o68 n THR 192 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1o68 s VAL 193 N -3.33 5.13 -0.15 2.28 -7.23 -0.36 -4.99 120.40 111.76 1o68 s VAL 193 Ca -0.02 -0.06 0.15 0.00 -1.81 0.00 0.00 61.98 60.24 1o68 s VAL 193 Cb 0.15 -3.68 0.07 0.00 0.56 0.00 0.00 36.38 33.48 1o68 s VAL 193 CO 0.89 -0.11 1.46 0.77 -0.31 0.00 0.00 175.10 177.80 1o68 h SER 194 N 2.29 0.00 -3.45 4.85 4.64 -1.91 -3.46 113.55 116.51 1o68 h SER 194 Ca -0.47 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.35 1o68 h SER 194 Cb 1.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1o68 h SER 194 CO 0.70 0.49 0.03 0.00 -0.87 0.00 0.00 176.83 177.17 1o68 s PRO 196 N -4.16 2.66 0.10 0.00 0.02 -1.26 -4.78 135.00 127.58 1o68 s PRO 196 Ca 0.47 2.01 0.09 0.00 0.02 0.00 0.00 61.00 63.60 1o68 s PRO 196 Cb -0.10 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1o68 s PRO 196 CO 0.36 -1.50 -0.21 0.95 -0.33 0.00 0.00 177.00 176.27 1o68 s THR 197 N -1.44 2.62 -0.03 0.99 -4.23 -1.26 -1.77 115.64 110.52 1o68 s THR 197 Ca 0.81 -1.49 0.05 0.00 -1.18 0.00 0.00 61.69 59.88 1o68 s THR 197 Cb -0.36 -2.15 -0.01 0.00 1.34 0.00 0.00 72.50 71.32 1o68 s THR 197 CO 0.38 0.17 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.83 1o68 s ILE 198 N -1.04 1.42 0.22 2.99 -1.09 -0.04 -1.59 121.20 122.07 1o68 s ILE 198 Ca 0.16 -0.74 0.09 0.00 -2.23 0.00 0.00 60.65 57.93 1o68 s ILE 198 Cb -0.10 -1.21 -0.05 0.00 -1.58 0.00 0.00 42.46 39.52 1o68 s ILE 198 CO 0.07 0.41 -0.15 -0.83 -1.23 0.00 0.00 174.94 173.21 1o68 s GLY 199 N -0.14 1.55 -0.27 6.18 0.00 0.31 -4.26 107.32 110.68 1o68 s GLY 199 Ca 0.00 -1.72 -0.01 0.00 0.00 0.00 0.00 44.72 43.00 1o68 s GLY 199 CO 0.01 -1.81 0.33 -1.50 0.00 0.00 0.00 173.10 170.14 1o68 s ILE 200 N -2.87 -0.50 -0.30 0.90 2.07 -1.26 -1.33 121.20 117.90 1o68 s ILE 200 Ca 0.24 -0.30 -0.00 0.00 -1.41 0.00 0.00 60.65 59.18 1o68 s ILE 200 Cb -0.01 -0.91 0.00 0.00 0.13 0.00 0.00 42.46 41.67 1o68 s ILE 200 CO 0.09 -0.31 0.04 0.61 -1.91 0.00 0.00 174.94 173.46 1o68 n GLY 201 N 5.33 0.31 0.00 1.50 0.00 -1.26 -0.34 105.19 110.73 1o68 n GLY 201 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.53 1.76 0.00 4.61 0.00 -1.26 -0.76 120.51 123.33 1o68 n ALA 202 Ca -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1o68 n ALA 202 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.29 -0.73 0.10 0.00 0.00 -1.26 -4.14 105.19 98.86 1o68 n GLY 203 Ca 0.00 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.72 2.83 -1.35 4.61 0.00 -1.26 -4.32 120.51 120.29 1o68 n ALA 204 Ca 0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 53.44 52.94 1o68 n ALA 204 Cb 0.00 -1.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.07 6.16 -4.48 0.00 8.00 -1.26 -4.82 116.55 119.09 1o68 n ASP 205 Ca 0.12 -2.98 -0.23 0.00 0.71 0.00 0.00 54.79 52.41 1o68 n ASP 205 Cb 0.30 -1.30 -0.10 0.00 -0.02 0.00 0.00 41.12 40.00 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 -0.66 0.00 -3.66 0.00 8.00 -0.62 -4.91 116.55 114.70 1o68 n ASP 207 Ca -0.05 0.19 -0.02 0.00 0.71 0.00 0.00 54.79 55.62 1o68 n ASP 207 Cb 0.63 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 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 -2.79 -0.21 0.09 0.44 0.00 -0.68 -1.16 107.32 103.01 1o68 s GLY 208 Ca 0.20 0.18 0.06 0.00 0.00 0.00 0.00 44.72 45.16 1o68 s GLY 208 CO 0.48 0.57 -0.16 1.20 0.00 0.00 0.00 173.10 175.20 1o68 s GLN 209 N -2.86 0.95 0.03 2.90 -1.52 -0.53 -0.53 119.66 118.10 1o68 s GLN 209 Ca 0.15 -1.08 0.03 0.00 -1.95 0.00 0.00 55.36 52.51 1o68 s GLN 209 Cb -0.00 -0.98 -0.02 0.00 -0.22 0.00 0.00 33.01 31.79 1o68 s GLN 209 CO 0.01 0.21 -0.10 0.54 -0.25 0.00 0.00 175.29 175.71 1o68 s VAL 210 N -1.48 0.75 0.03 1.09 0.11 -0.44 -4.60 120.40 115.86 1o68 s VAL 210 Ca 0.03 -0.87 -0.01 0.00 -2.93 0.00 0.00 61.98 58.20 1o68 s VAL 210 Cb -0.09 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 1o68 s VAL 210 CO 0.03 -0.12 -0.02 -0.76 -3.33 0.00 0.00 175.10 170.90 1o68 s LEU 211 N -1.10 2.33 0.00 2.54 1.43 -1.26 -4.51 118.68 118.11 1o68 s LEU 211 Ca -0.03 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1o68 s LEU 211 Cb -0.07 0.17 0.00 0.00 0.03 0.00 0.00 46.19 46.31 1o68 s LEU 211 CO 0.01 -0.44 0.00 0.52 0.23 0.00 0.00 176.35 176.67 1o68 n VAL 212 N 0.91 0.00 0.00 -1.59 0.31 -1.26 -2.55 118.33 114.15 1o68 n VAL 212 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1o68 n VAL 212 Cb 0.58 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 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 0.32 3.52 8.25 -1.26 -4.68 115.22 121.37 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 0.29 0.00 0.41 8.00 -1.26 -1.07 116.55 122.92 1o68 n ASP 215 Ca 0.00 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.89 1o68 n ASP 215 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 0.31 0.00 -2.44 0.64 4.77 -1.26 -4.44 117.00 114.58 1o68 n LEU 217 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 1o68 n LEU 217 Cb 0.07 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 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 -0.10 0.22 -0.72 0.00 -1.05 -4.87 105.19 98.67 1o68 n GLY 218 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.52 0.02 -3.10 -0.61 1.08 -1.32 -3.44 117.51 108.63 1o68 h ILE 219 Ca -0.38 -0.98 -0.60 0.00 -0.39 0.00 0.00 64.86 62.51 1o68 h ILE 219 Cb 1.25 1.96 -0.07 0.00 -3.07 0.00 0.00 36.82 36.89 1o68 h ILE 219 CO 0.39 0.01 -0.23 -0.36 -0.69 0.00 0.00 178.15 177.26 1o68 s PHE 220 N -3.25 3.62 0.08 1.37 0.40 -1.26 -5.06 117.98 113.89 1o68 s PHE 220 Ca 0.06 0.86 -0.30 0.00 -0.60 0.00 0.00 56.93 56.95 1o68 s PHE 220 Cb 0.05 -2.33 -0.06 0.00 0.51 0.00 0.00 43.02 41.20 1o68 s PHE 220 CO 0.66 0.48 1.13 -1.25 0.70 0.00 0.00 175.22 176.94 1o68 s PRO 221 N -0.43 4.50 0.00 0.24 0.04 -1.26 -4.89 135.00 133.21 1o68 s PRO 221 Ca 0.22 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1o68 s PRO 221 Cb -0.15 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1o68 s PRO 221 CO 0.10 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.42 1o68 n GLY 222 N 2.84 1.95 3.74 0.56 0.00 -1.26 -5.05 105.19 107.97 1o68 n GLY 222 Ca 0.07 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 1o68 n GLY 222 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o68 s LYS 223 N -1.56 4.21 0.20 1.61 -0.14 -1.26 -4.93 119.74 117.86 1o68 s LYS 223 Ca 0.00 2.41 -0.32 0.00 -1.36 0.00 0.00 55.97 56.69 1o68 s LYS 223 Cb 0.00 -3.10 -0.13 0.00 -1.68 0.00 0.00 37.83 32.92 1o68 s LYS 223 CO 0.00 -0.55 1.59 2.41 -0.76 0.00 0.00 175.35 178.03 1o68 n THR 224 N 2.95 0.30 -1.68 2.17 -1.04 -1.26 -4.93 114.28 110.80 1o68 n THR 224 Ca 0.10 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.62 1o68 n THR 224 Cb 0.39 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 1o68 n THR 224 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1o68 n ALA 225 N 3.13 1.04 -0.33 2.41 0.00 -1.26 -4.88 120.51 120.61 1o68 n ALA 225 Ca 0.15 0.30 -0.01 0.00 0.00 0.00 0.00 53.44 53.88 1o68 n ALA 225 Cb 0.32 -2.22 0.05 0.00 0.00 0.00 0.00 19.45 17.60 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 2.15 -0.03 -0.61 0.00 2.10 -2.05 -0.35 116.57 117.77 1o68 h LYS 226 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1o68 h LYS 226 Cb 1.30 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1o68 h LYS 226 CO 0.60 -0.02 0.00 1.97 -2.00 0.00 0.00 179.45 180.00 1o68 n PHE 227 N -5.49 0.82 -4.62 0.07 1.16 -1.26 -4.87 117.46 103.27 1o68 n PHE 227 Ca 0.10 -0.32 -0.34 0.00 -1.87 0.00 0.00 57.45 55.03 1o68 n PHE 227 Cb 0.41 -0.18 -0.11 0.00 -1.61 0.00 0.00 39.48 37.98 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 -1.72 3.67 -0.06 1.97 1.01 -0.14 -4.66 120.40 120.46 1o68 s VAL 228 Ca 0.26 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1o68 s VAL 228 Cb 0.18 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1o68 s VAL 228 CO 0.12 0.58 -0.16 -0.75 0.00 0.00 0.00 175.10 174.88 1o68 s LYS 229 N -0.87 2.64 -0.51 2.72 2.20 -1.26 -4.65 119.74 120.00 1o68 s LYS 229 Ca 0.13 -0.74 -0.29 0.00 -0.36 0.00 0.00 55.97 54.71 1o68 s LYS 229 Cb -0.11 -2.37 0.03 0.00 -1.51 0.00 0.00 37.83 33.87 1o68 s LYS 229 CO 0.02 0.51 1.16 1.21 -0.36 0.00 0.00 175.35 177.90 1o68 s ASN 230 N -0.45 6.56 -0.65 1.43 3.84 -1.26 -4.78 114.94 119.63 1o68 s ASN 230 Ca 0.05 0.34 -0.04 0.00 0.21 0.00 0.00 52.86 53.43 1o68 s ASN 230 Cb -0.12 -2.55 0.10 0.00 -0.55 0.00 0.00 41.25 38.13 1o68 s ASN 230 CO 0.02 -1.34 2.62 0.49 -2.79 0.00 0.00 177.10 176.10 1o68 n PHE 231 N 8.09 1.91 -1.10 0.43 3.01 -1.26 -4.95 117.46 123.58 1o68 n PHE 231 Ca 0.11 -2.14 0.00 0.00 1.01 0.00 0.00 57.45 56.43 1o68 n PHE 231 Cb 0.49 -1.44 0.00 0.00 -0.01 0.00 0.00 39.48 38.52 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 0.88 0.00 -0.21 -1.08 7.27 -1.26 -4.49 117.38 118.49 1o68 n GLN 233 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.59 1o68 n GLN 233 Cb 0.47 -0.40 0.00 0.00 2.41 0.00 0.00 30.24 32.72 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 0.14 0.97 3.29 1.69 0.00 -1.26 -5.04 105.19 104.98 1o68 n GLY 234 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.62 1.43 -0.21 1.61 3.76 -1.26 -5.07 115.29 112.93 1o68 s HIS 235 Ca 0.00 -0.73 0.12 0.00 -0.15 0.00 0.00 55.06 54.30 1o68 s HIS 235 Cb 0.00 -0.72 0.43 0.00 1.11 0.00 0.00 32.58 33.40 1o68 s HIS 235 CO 0.00 0.14 1.21 -0.40 -0.85 0.00 0.00 174.74 174.84 1o68 n ASP 236 N -0.28 2.30 -3.63 1.40 5.75 -1.26 -4.98 116.55 115.86 1o68 n ASP 236 Ca -0.09 -3.62 -0.15 0.00 -0.01 0.00 0.00 54.79 50.93 1o68 n ASP 236 Cb 0.61 -0.47 -0.07 0.00 -1.03 0.00 0.00 41.12 40.16 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 -3.21 -0.66 0.34 -1.12 1.04 -1.26 -5.03 113.70 103.81 1o68 s SER 237 Ca 0.40 1.14 0.07 0.00 0.48 0.00 0.00 55.95 58.04 1o68 s SER 237 Cb 0.38 1.12 0.62 0.00 0.10 0.00 0.00 66.02 68.24 1o68 s SER 237 CO -0.06 -0.32 1.83 0.58 0.98 0.00 0.00 173.24 176.25 1o68 h VAL 238 N 3.86 1.23 -0.13 5.02 2.07 -1.99 -2.17 116.25 124.14 1o68 h VAL 238 Ca -0.28 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.20 1o68 h VAL 238 Cb 1.16 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1o68 h VAL 238 CO 0.17 0.33 0.04 1.56 0.02 0.00 0.00 177.57 179.69 1o68 h GLN 239 N 0.29 0.10 -0.25 1.57 7.50 -1.95 -1.19 115.11 121.18 1o68 h GLN 239 Ca 0.05 -0.01 -0.08 0.00 0.50 0.00 0.00 58.65 59.11 1o68 h GLN 239 Cb 0.53 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.02 1o68 h GLN 239 CO 0.03 0.07 -0.20 0.00 -1.50 0.00 0.00 178.83 177.23 1o68 h ALA 240 N 1.08 1.19 -0.63 3.87 0.00 -1.88 -1.47 119.26 121.42 1o68 h ALA 240 Ca 0.05 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1o68 h ALA 240 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1o68 h ALA 240 CO -0.06 0.52 0.23 0.00 0.00 0.00 0.00 179.25 179.94 1o68 h ALA 241 N 1.38 0.82 -0.19 0.00 0.00 -0.97 -1.34 119.26 118.97 1o68 h ALA 241 Ca 0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1o68 h ALA 241 Cb 0.58 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1o68 h ALA 241 CO 0.04 0.46 -0.22 0.28 0.00 0.00 0.00 179.25 179.81 1o68 h VAL 242 N 0.89 1.34 -0.80 0.00 2.07 -0.97 -2.46 116.25 116.31 1o68 h VAL 242 Ca 0.21 -1.40 0.10 0.00 0.82 0.00 0.00 66.70 66.42 1o68 h VAL 242 Cb 0.25 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 1o68 h VAL 242 CO -0.01 0.42 0.52 0.03 0.02 0.00 0.00 177.57 178.56 1o68 h ARG 243 N 0.14 0.72 -0.49 1.57 3.08 -1.18 -0.71 114.38 117.51 1o68 h ARG 243 Ca 0.03 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 1o68 h ARG 243 Cb 0.77 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1o68 h ARG 243 CO 0.05 0.48 -0.14 0.00 -1.07 0.00 0.00 179.97 179.29 1o68 h ALA 244 N 1.59 0.82 -0.18 0.04 0.00 -1.05 -1.17 119.26 119.32 1o68 h ALA 244 Ca 0.37 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1o68 h ALA 244 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1o68 h ALA 244 CO -0.14 0.66 0.07 -0.92 0.00 0.00 0.00 179.25 178.91 1o68 h TYR 245 N 0.83 0.27 -0.83 0.00 3.20 -0.80 -1.43 116.97 118.22 1o68 h TYR 245 Ca 0.13 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1o68 h TYR 245 Cb 0.69 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 1o68 h TYR 245 CO 0.04 0.34 0.50 0.28 -1.64 0.00 0.00 178.16 177.68 1o68 h VAL 246 N 0.12 1.23 -0.66 1.81 2.07 -1.02 -0.96 116.25 118.85 1o68 h VAL 246 Ca 0.06 -0.52 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 1o68 h VAL 246 Cb 0.19 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1o68 h VAL 246 CO -0.00 0.25 0.09 0.00 0.02 0.00 0.00 177.57 177.92 1o68 h ALA 247 N 1.27 0.91 -0.28 1.67 0.00 -1.08 -2.02 119.26 119.73 1o68 h ALA 247 Ca 0.30 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1o68 h ALA 247 Cb -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1o68 h ALA 247 CO -0.06 0.67 -0.47 0.93 0.00 0.00 0.00 179.25 180.32 1o68 h GLU 248 N 1.02 0.75 -0.33 0.00 5.08 -0.93 -0.43 114.58 119.73 1o68 h GLU 248 Ca 0.20 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1o68 h GLU 248 Cb 0.46 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1o68 h GLU 248 CO 0.02 1.06 0.20 0.28 -1.00 0.00 0.00 179.01 179.57 1o68 h VAL 249 N 0.60 1.11 -0.52 3.13 2.07 -1.08 0.16 116.25 121.71 1o68 h VAL 249 Ca 0.03 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1o68 h VAL 249 Cb 1.04 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1o68 h VAL 249 CO 0.10 0.11 0.18 0.11 0.02 0.00 0.00 177.57 178.09 1o68 h LYS 250 N 0.43 0.81 0.00 1.57 1.79 -1.26 -2.41 116.57 117.49 1o68 h LYS 250 Ca 0.12 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1o68 h LYS 250 Cb -0.00 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1o68 h LYS 250 CO -0.02 0.73 0.00 0.00 -1.08 0.00 0.00 179.45 179.08 1o68 n ALA 251 N -2.36 2.26 -2.49 3.86 0.00 -0.18 -4.71 120.51 116.88 1o68 n ALA 251 Ca 0.02 -0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.18 1o68 n ALA 251 Cb 0.19 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.28 -2.17 0.02 0.00 5.02 -0.30 -4.87 118.16 114.58 1o68 n LYS 252 Ca 0.12 0.76 0.11 0.00 -2.02 0.00 0.00 58.31 57.28 1o68 n LYS 252 Cb 0.20 -5.18 -0.06 0.00 -0.02 0.00 0.00 35.03 29.97 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 -4.09 0.13 -4.71 -0.18 -2.24 0.40 -4.82 114.28 98.76 1o68 n THR 253 Ca -0.16 -0.30 -0.25 0.00 -2.27 0.00 0.00 64.05 61.08 1o68 n THR 253 Cb 0.63 0.24 -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 -3.27 1.54 0.44 4.78 5.36 -1.04 -3.02 117.98 122.78 1o68 s PHE 254 Ca 0.01 -0.47 -0.22 0.00 -0.96 0.00 0.00 56.93 55.28 1o68 s PHE 254 Cb 0.14 -1.07 -0.09 0.00 -0.34 0.00 0.00 43.02 41.67 1o68 s PHE 254 CO 0.84 -0.19 1.05 -1.25 -1.46 0.00 0.00 175.22 174.21 1o68 s PRO 255 N 0.22 3.99 0.00 10.12 0.04 -1.26 -4.24 135.00 143.87 1o68 s PRO 255 Ca -0.07 1.45 0.31 0.00 0.04 0.00 0.00 61.00 62.74 1o68 s PRO 255 Cb -0.12 -2.34 1.88 0.00 0.04 0.00 0.00 34.50 33.96 1o68 s PRO 255 CO 0.02 -0.28 2.20 0.00 0.04 0.00 0.00 177.00 178.99