#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 2.51 -4.64 1.04 4.77 -1.26 -4.89 117.00 114.53 1o68 n LEU 1 Ca 0.00 1.14 -0.41 0.00 -0.03 0.00 0.00 56.01 56.71 1o68 n LEU 1 Cb 0.00 -1.35 -0.05 0.00 -2.33 0.00 0.00 43.42 39.69 1o68 n LEU 1 CO 0.00 -0.79 0.49 -0.63 -1.33 0.00 0.00 177.39 175.13 1o68 s ILE 2 N -0.09 4.93 0.50 -0.08 1.01 0.46 -4.99 121.20 122.95 1o68 s ILE 2 Ca 0.70 1.30 0.03 0.00 0.00 0.00 0.00 60.65 62.69 1o68 s ILE 2 Cb -0.73 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 37.73 1o68 s ILE 2 CO 0.50 -0.00 0.12 0.42 0.00 0.00 0.00 174.94 175.98 1o68 s THR 3 N 2.58 1.44 0.29 2.92 -4.23 -1.26 -4.92 115.64 112.46 1o68 s THR 3 Ca 0.30 -1.85 -0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1o68 s THR 3 Cb -0.15 -2.29 0.15 0.00 1.34 0.00 0.00 72.50 71.54 1o68 s THR 3 CO 0.08 0.00 1.82 0.58 -0.54 0.00 0.00 174.62 176.56 1o68 h VAL 4 N 1.24 1.22 -0.65 2.29 2.07 -1.97 -2.49 116.25 117.96 1o68 h VAL 4 Ca -0.42 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1o68 h VAL 4 Cb 1.30 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1o68 h VAL 4 CO 0.70 0.31 0.35 0.78 0.02 0.00 0.00 177.57 179.73 1o68 h ASN 5 N 0.72 0.83 -0.58 0.57 2.35 -1.99 -0.76 115.58 116.73 1o68 h ASN 5 Ca 0.15 -0.11 0.08 0.00 -0.55 0.00 0.00 56.30 55.88 1o68 h ASN 5 Cb 0.34 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.43 1o68 h ASN 5 CO 0.01 0.70 0.22 0.74 -1.65 0.00 0.00 177.43 177.44 1o68 h THR 6 N 0.90 0.79 -0.59 2.81 2.02 -1.84 0.85 112.91 117.86 1o68 h THR 6 Ca 0.23 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 67.21 1o68 h THR 6 Cb 0.07 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1o68 h THR 6 CO -0.03 0.07 0.12 -0.07 0.37 0.00 0.00 175.52 175.98 1o68 h LEU 7 N 0.40 0.87 -0.65 2.58 3.38 -1.05 -2.37 115.31 118.47 1o68 h LEU 7 Ca 0.29 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1o68 h LEU 7 Cb 0.33 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1o68 h LEU 7 CO -0.28 0.86 0.18 1.56 0.09 0.00 0.00 178.44 180.85 1o68 h GLN 8 N 0.88 1.02 -1.29 1.13 4.20 -0.11 -0.78 115.11 120.16 1o68 h GLN 8 Ca 0.19 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1o68 h GLN 8 Cb 0.35 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1o68 h GLN 8 CO 0.00 0.90 0.00 1.63 -0.67 0.00 0.00 178.83 180.70 1o68 n LYS 9 N -4.33 0.31 0.00 1.46 5.02 0.19 -1.74 118.16 119.07 1o68 n LYS 9 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1o68 n LYS 9 Cb 0.23 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 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 0.70 0.00 -0.29 1.97 4.81 -0.30 -0.74 118.16 124.31 1o68 n LYS 11 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 1o68 n LYS 11 Cb 0.13 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.26 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 1.07 0.00 3.14 0.00 -1.61 -2.08 119.26 119.78 1o68 h ALA 12 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1o68 h ALA 12 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1o68 h ALA 12 CO 0.00 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.92 1o68 n ALA 13 N -2.43 2.14 -1.22 0.00 0.00 0.08 -4.89 120.51 114.19 1o68 n ALA 13 Ca 0.07 -0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1o68 n ALA 13 Cb 0.18 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 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 1.07 0.97 3.48 0.00 0.00 -0.78 -4.96 105.19 104.97 1o68 n GLY 14 Ca 0.06 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.60 3.23 0.13 1.61 2.12 -1.26 -5.00 118.70 116.93 1o68 s GLU 15 Ca 0.00 -0.58 -0.35 0.00 0.36 0.00 0.00 54.97 54.40 1o68 s GLU 15 Cb 0.00 -4.07 -0.16 0.00 0.26 0.00 0.00 34.13 30.16 1o68 s GLU 15 CO 0.00 -1.33 1.33 1.63 -0.54 0.00 0.00 175.26 176.35 1o68 n LYS 16 N 6.75 1.34 -3.22 4.30 4.76 -1.26 -4.45 118.16 126.39 1o68 n LYS 16 Ca -0.03 0.48 -0.39 0.00 -2.87 0.00 0.00 58.31 55.51 1o68 n LYS 16 Cb 0.46 -2.10 -0.06 0.00 -1.84 0.00 0.00 35.03 31.49 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 0.33 4.78 0.30 -0.18 1.01 0.37 -4.69 121.20 123.13 1o68 s ILE 17 Ca 0.80 1.27 0.07 0.00 0.00 0.00 0.00 60.65 62.79 1o68 s ILE 17 Cb -0.87 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 37.64 1o68 s ILE 17 CO 0.47 0.49 0.31 0.00 0.00 0.00 0.00 174.94 176.21 1o68 s ALA 18 N -0.71 3.86 0.00 9.38 0.00 -1.26 -0.77 121.76 132.26 1o68 s ALA 18 Ca 0.30 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1o68 s ALA 18 Cb -0.19 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1o68 s ALA 18 CO 0.19 0.09 0.00 1.28 0.00 0.00 0.00 175.76 177.32 1o68 n LEU 20 N -1.38 0.00 -4.79 0.00 4.77 -1.26 -1.30 117.00 113.04 1o68 n LEU 20 Ca -0.04 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.61 1o68 n LEU 20 Cb 0.59 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.70 1o68 n LEU 20 CO 0.43 0.00 0.73 0.42 -1.33 0.00 0.00 177.39 177.64 1o68 s THR 21 N -1.41 3.49 -0.14 -5.08 -4.23 -1.00 -1.36 115.64 105.91 1o68 s THR 21 Ca 0.00 0.73 -0.10 0.00 -1.18 0.00 0.00 61.69 61.14 1o68 s THR 21 Cb 0.00 -3.25 0.04 0.00 1.34 0.00 0.00 72.50 70.63 1o68 s THR 21 CO 0.00 -0.39 0.34 0.00 -0.54 0.00 0.00 174.62 174.03 1o68 s ALA 22 N -2.31 -0.85 0.00 3.99 0.00 -0.84 -4.76 121.76 116.99 1o68 s ALA 22 Ca 0.66 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1o68 s ALA 22 Cb -0.19 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1o68 s ALA 22 CO 0.37 -0.20 0.08 0.66 0.00 0.00 0.00 175.76 176.67 1o68 n TYR 23 N 3.56 0.00 -4.27 0.00 4.02 -1.26 -4.01 117.16 115.19 1o68 n TYR 23 Ca -0.18 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.56 1o68 n TYR 23 Cb 0.56 0.00 -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 -0.47 1.19 0.06 -0.72 2.02 -1.26 -4.65 118.70 114.87 1o68 s GLU 24 Ca 0.00 -1.59 -0.16 0.00 0.02 0.00 0.00 54.97 53.24 1o68 s GLU 24 Cb 0.00 -0.36 -0.17 0.00 0.10 0.00 0.00 34.13 33.70 1o68 s GLU 24 CO 0.00 -0.13 1.26 0.66 0.02 0.00 0.00 175.26 177.07 1o68 h SER 25 N 2.62 0.72 -0.09 -0.19 4.64 -1.87 -2.07 113.55 117.30 1o68 h SER 25 Ca -0.37 -0.63 -0.00 0.00 -0.47 0.00 0.00 61.79 60.32 1o68 h SER 25 Cb 1.21 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1o68 h SER 25 CO 0.63 1.24 0.05 0.77 -0.87 0.00 0.00 176.83 178.64 1o68 h SER 26 N 0.26 0.11 0.20 4.97 4.64 -1.95 -0.78 113.55 121.00 1o68 h SER 26 Ca -0.04 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.09 1o68 h SER 26 Cb 1.21 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1o68 h SER 26 CO 0.12 0.17 -0.42 -0.26 -0.87 0.00 0.00 176.83 175.57 1o68 h PHE 27 N 0.05 0.34 -0.10 4.77 -1.00 -2.00 -2.30 116.94 116.69 1o68 h PHE 27 Ca 0.03 -0.09 -0.00 0.00 2.81 0.00 0.00 57.97 60.71 1o68 h PHE 27 Cb 0.08 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 1o68 h PHE 27 CO -0.04 0.66 0.05 0.00 -1.61 0.00 0.00 178.31 177.37 1o68 h ALA 28 N 1.33 0.13 -0.84 2.45 0.00 -0.84 -3.08 119.26 118.40 1o68 h ALA 28 Ca 0.02 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1o68 h ALA 28 Cb 0.84 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1o68 h ALA 28 CO 0.07 -0.31 0.55 0.00 0.00 0.00 0.00 179.25 179.56 1o68 h ALA 29 N 0.92 1.09 0.00 0.00 0.00 -1.07 -0.37 119.26 119.83 1o68 h ALA 29 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1o68 h ALA 29 Cb 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1o68 h ALA 29 CO -0.00 0.43 0.00 -0.11 0.00 0.00 0.00 179.25 179.56 1o68 n LEU 30 N -4.53 0.01 0.00 0.00 0.00 -0.88 -1.36 117.00 110.24 1o68 n LEU 30 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.10 1o68 n LEU 30 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.47 1o68 n LEU 30 CO 0.35 0.00 0.00 -0.67 0.00 0.00 0.00 177.39 177.07 1o68 n ASP 32 N 0.29 0.00 0.29 1.96 2.03 -0.15 -1.30 116.55 119.67 1o68 n ASP 32 Ca 0.00 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.48 1o68 n ASP 32 Cb 0.00 0.00 0.88 0.00 -0.72 0.00 0.00 41.12 41.28 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 0.00 -0.35 1.67 3.32 -1.47 -1.66 116.42 117.92 1o68 h ASP 33 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1o68 h ASP 33 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1o68 h ASP 33 CO 0.00 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 1o68 n ALA 34 N -2.16 2.45 -0.22 3.45 0.00 -0.42 -4.90 120.51 118.71 1o68 n ALA 34 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1o68 n ALA 34 Cb 0.20 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 1.10 0.73 3.71 0.00 0.00 -0.62 -4.41 105.19 105.70 1o68 n GLY 35 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.52 2.46 -0.75 1.61 1.01 -1.25 -4.90 120.40 116.06 1o68 s VAL 36 Ca 0.00 0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.32 1o68 s VAL 36 Cb 0.00 -3.17 0.43 0.00 0.00 0.00 0.00 36.38 33.64 1o68 s VAL 36 CO 0.00 0.02 1.18 -0.62 0.00 0.00 0.00 175.10 175.68 1o68 n GLU 37 N 4.37 2.97 -3.15 2.72 1.02 -0.42 -4.50 120.64 123.65 1o68 n GLU 37 Ca 0.15 -1.66 0.05 0.00 -0.02 0.00 0.00 57.16 55.68 1o68 n GLU 37 Cb 0.38 -1.85 -0.01 0.00 -0.02 0.00 0.00 31.44 29.94 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 -1.42 -0.97 -0.53 -4.62 1.43 -1.26 -4.60 118.68 106.71 1o68 s LEU 39 Ca 0.29 0.57 -0.20 0.00 -1.03 0.00 0.00 54.13 53.75 1o68 s LEU 39 Cb 0.21 1.80 0.06 0.00 0.03 0.00 0.00 46.19 48.29 1o68 s LEU 39 CO 0.10 -0.18 0.71 -0.22 0.23 0.00 0.00 176.35 176.99 1o68 s LEU 40 N 2.90 4.79 -1.09 1.79 2.96 -0.47 0.13 118.68 129.69 1o68 s LEU 40 Ca 0.11 -0.83 -0.21 0.00 -0.22 0.00 0.00 54.13 52.98 1o68 s LEU 40 Cb -0.12 -2.52 0.07 0.00 0.50 0.00 0.00 46.19 44.12 1o68 s LEU 40 CO -0.17 -1.00 1.50 -0.69 -1.32 0.00 0.00 176.35 174.66 1o68 s VAL 41 N 2.97 4.09 0.46 1.68 1.01 0.15 -1.99 120.40 128.79 1o68 s VAL 41 Ca 0.18 -1.22 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 1o68 s VAL 41 Cb -0.18 -5.06 -0.03 0.00 0.00 0.00 0.00 36.38 31.10 1o68 s VAL 41 CO 0.13 -1.91 0.75 -0.83 0.00 0.00 0.00 175.10 173.24 1o68 s GLY 42 N 4.57 1.48 0.00 4.51 0.00 -1.26 -1.35 107.32 115.27 1o68 s GLY 42 Ca 0.47 -0.60 0.14 0.00 0.00 0.00 0.00 44.72 44.73 1o68 s GLY 42 CO -0.05 -0.45 1.50 2.09 0.00 0.00 0.00 173.10 176.19 1o68 n ASP 43 N -2.20 0.00 0.15 1.64 5.75 -1.26 -1.97 116.55 118.66 1o68 n ASP 43 Ca -0.00 -1.38 0.12 0.00 -0.01 0.00 0.00 54.79 53.52 1o68 n ASP 43 Cb 0.55 0.00 0.53 0.00 -1.03 0.00 0.00 41.12 41.17 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 0.24 -1.12 4.64 -1.94 -1.15 113.55 114.22 1o68 h SER 44 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1o68 h SER 44 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1o68 h SER 44 CO 0.00 0.00 -0.03 0.17 -0.87 0.00 0.00 176.83 176.10 1o68 h LEU 45 N 0.00 0.00 0.00 5.97 8.10 -1.81 -1.90 115.31 125.67 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 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.52 1o68 h LEU 45 CO 0.00 0.03 0.00 0.61 -4.11 0.00 0.00 178.44 174.97 1o68 n GLY 46 N -0.86 -0.11 0.00 0.17 0.00 -0.44 -0.41 105.19 103.55 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 -0.51 0.00 -0.11 4.61 0.00 -0.72 -0.10 120.51 123.69 1o68 n ALA 48 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 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 1.19 0.16 0.00 0.31 0.45 -4.65 118.33 115.79 1o68 n VAL 49 Ca 0.00 -0.34 0.07 0.00 -0.01 0.00 0.00 64.34 64.06 1o68 n VAL 49 Cb 0.00 -1.64 0.07 0.00 -0.91 0.00 0.00 33.84 31.36 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 -0.58 0.00 -2.07 5.55 4.20 -1.22 -3.48 115.11 117.51 1o68 h GLN 50 Ca -0.53 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 57.97 1o68 h GLN 50 Cb 1.54 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.33 1o68 h GLN 50 CO -0.27 0.23 -0.30 0.41 -0.67 0.00 0.00 178.83 178.23 1o68 n GLY 51 N 1.19 -0.02 3.95 3.46 0.00 -1.05 -5.03 105.19 107.70 1o68 n GLY 51 Ca 0.02 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.84 1.64 0.19 1.61 0.52 0.86 -5.01 118.95 113.92 1o68 s ARG 52 Ca 0.08 -0.59 0.25 0.00 -0.52 0.00 0.00 55.73 54.94 1o68 s ARG 52 Cb -0.03 -2.15 0.46 0.00 0.52 0.00 0.00 34.95 33.75 1o68 s ARG 52 CO 0.10 -1.59 1.47 0.87 0.02 0.00 0.00 175.30 176.17 1o68 h LYS 53 N -0.82 0.00 -3.53 3.54 6.56 -1.96 -3.46 116.57 116.90 1o68 h LYS 53 Ca -0.42 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.08 1o68 h LYS 53 Cb 1.28 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.88 1o68 h LYS 53 CO 0.48 0.00 0.01 -1.54 -2.06 0.00 0.00 179.45 176.34 1o68 s SER 54 N -4.62 0.22 0.00 0.86 1.04 -1.26 -5.05 113.70 104.89 1o68 s SER 54 Ca 0.07 -1.12 0.26 0.00 0.48 0.00 0.00 55.95 55.64 1o68 s SER 54 Cb 0.12 0.70 0.71 0.00 0.10 0.00 0.00 66.02 67.65 1o68 s SER 54 CO 0.68 -1.37 1.54 0.35 0.98 0.00 0.00 173.24 175.42 1o68 n THR 55 N -0.49 0.00 -0.34 2.02 -2.24 -1.26 -4.48 114.28 107.48 1o68 n THR 55 Ca -0.03 -0.18 -0.01 0.00 -2.27 0.00 0.00 64.05 61.56 1o68 n THR 55 Cb 0.61 0.55 0.12 0.00 -2.10 0.00 0.00 70.33 69.50 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 1.67 1.01 -1.04 3.22 4.07 -1.90 -2.66 115.31 119.67 1o68 h LEU 56 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1o68 h LEU 56 Cb 0.55 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1o68 h LEU 56 CO 0.00 0.70 0.00 -0.65 -1.08 0.00 0.00 178.44 177.41 1o68 h PRO 57 N 1.18 0.00 -6.64 1.13 0.11 -1.94 -3.42 132.00 122.43 1o68 h PRO 57 Ca 0.36 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.91 1o68 h PRO 57 Cb -0.03 0.00 0.08 0.00 0.11 0.00 0.00 31.00 31.16 1o68 h PRO 57 CO -0.11 0.00 0.74 0.28 -0.21 0.00 0.00 178.00 178.70 1o68 n VAL 58 N -2.56 0.78 -3.17 3.15 0.31 -1.00 -5.00 118.33 110.84 1o68 n VAL 58 Ca 0.01 -0.20 -0.18 0.00 -0.01 0.00 0.00 64.34 63.97 1o68 n VAL 58 Cb 0.25 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1o68 n VAL 58 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1o68 s SER 59 N 0.49 5.58 0.32 4.52 1.04 -1.26 -4.39 113.70 120.00 1o68 s SER 59 Ca 0.69 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.70 1o68 s SER 59 Cb -0.60 -0.71 0.56 0.00 0.10 0.00 0.00 66.02 65.37 1o68 s SER 59 CO 0.47 -0.70 1.87 0.25 0.98 0.00 0.00 173.24 176.11 1o68 h LEU 60 N 0.75 0.56 -0.31 2.42 5.85 -1.93 -2.41 115.31 120.24 1o68 h LEU 60 Ca -0.41 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 1o68 h LEU 60 Cb 1.27 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1o68 h LEU 60 CO 0.48 0.60 0.17 -0.09 -0.34 0.00 0.00 178.44 179.27 1o68 h ARG 61 N 0.57 0.43 -0.87 1.25 2.43 -2.01 -0.77 114.38 115.40 1o68 h ARG 61 Ca 0.13 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1o68 h ARG 61 Cb 0.31 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1o68 h ARG 61 CO 0.01 0.36 0.00 -0.25 -1.51 0.00 0.00 179.97 178.58 1o68 n ASP 62 N -4.81 0.00 0.00 -3.80 8.00 -0.91 -1.04 116.55 114.00 1o68 n ASP 62 Ca -0.01 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1o68 n ASP 62 Cb 0.07 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.29 -0.15 0.00 3.20 -1.34 -1.67 116.97 117.30 1o68 h TYR 65 Ca 0.00 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 1o68 h TYR 65 Cb 0.00 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1o68 h TYR 65 CO 0.00 0.28 -0.43 0.45 -1.64 0.00 0.00 178.16 176.83 1o68 h HIS 66 N 0.21 0.41 -0.38 -3.82 3.86 -1.59 -1.69 115.15 112.15 1o68 h HIS 66 Ca 0.07 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1o68 h HIS 66 Cb 0.10 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1o68 h HIS 66 CO -0.03 0.72 0.22 1.15 0.86 0.00 0.00 177.93 180.85 1o68 h THR 67 N 0.29 1.14 -0.75 2.45 2.02 -1.77 -1.95 112.91 114.33 1o68 h THR 67 Ca 0.02 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1o68 h THR 67 Cb 0.87 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 1o68 h THR 67 CO 0.07 0.14 0.44 -0.33 0.37 0.00 0.00 175.52 176.21 1o68 h GLU 68 N 0.49 1.03 0.48 6.66 5.08 -0.92 0.48 114.58 127.87 1o68 h GLU 68 Ca 0.13 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1o68 h GLU 68 Cb 0.03 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1o68 h GLU 68 CO -0.02 0.74 -0.30 0.00 -1.00 0.00 0.00 179.01 178.43 1o68 h VAL 70 N -0.74 1.13 0.00 0.00 2.07 -1.17 -2.21 116.25 115.34 1o68 h VAL 70 Ca -0.05 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1o68 h VAL 70 Cb 0.60 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1o68 h VAL 70 CO 0.05 0.21 -0.13 0.00 0.02 0.00 0.00 177.57 177.72 1o68 h ALA 71 N 1.46 1.69 0.00 1.67 0.00 -0.87 0.51 119.26 123.73 1o68 h ALA 71 Ca 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1o68 h ALA 71 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1o68 h ALA 71 CO -0.13 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1o68 h ARG 72 N 0.00 0.00 0.00 0.00 3.08 -1.16 -3.32 114.38 112.98 1o68 h ARG 72 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.72 1o68 h ARG 72 Cb 0.25 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 1o68 h ARG 72 CO 0.02 0.00 -2.22 0.41 -1.07 0.00 0.00 179.97 177.11 1o68 n GLY 73 N 0.77 -0.88 3.78 0.04 0.00 0.01 -5.01 105.19 103.90 1o68 n GLY 73 Ca 0.03 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.43 2.74 0.01 4.61 0.00 -0.28 -3.50 121.76 122.92 1o68 s ALA 74 Ca -0.09 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1o68 s ALA 74 Cb 0.05 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1o68 s ALA 74 CO 0.73 -0.72 0.00 0.36 0.00 0.00 0.00 175.76 176.13 1o68 n LYS 75 N -1.18 0.00 -0.04 0.00 0.00 -1.26 -4.93 118.16 110.75 1o68 n LYS 75 Ca 0.11 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.46 1o68 n LYS 75 Cb 0.51 -0.04 -0.17 0.00 -0.00 0.00 0.00 35.03 35.33 1o68 n LYS 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1o68 n ASN 76 N -2.60 0.02 0.00 -5.58 3.02 -1.26 -4.88 115.26 103.98 1o68 n ASN 76 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1o68 n ASN 76 Cb 0.00 1.65 0.00 0.00 -0.61 0.00 0.00 39.78 40.82 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 -2.43 0.00 -3.59 5.41 0.00 -1.26 -0.40 120.51 118.24 1o68 n ALA 77 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.22 1o68 n ALA 77 Cb 0.77 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.13 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 -0.65 -0.17 0.00 1.01 -1.26 -4.77 121.20 115.35 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 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 1o68 s ILE 79 CO 0.00 0.03 -0.02 -0.69 0.00 0.00 0.00 174.94 174.26 1o68 s VAL 80 N 2.61 3.97 -0.08 2.92 1.01 0.12 -0.32 120.40 130.62 1o68 s VAL 80 Ca 0.01 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1o68 s VAL 80 Cb -0.13 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 1o68 s VAL 80 CO -0.14 0.47 -0.20 -0.44 0.00 0.00 0.00 175.10 174.80 1o68 s SER 81 N 0.52 3.52 0.36 3.32 0.01 -1.26 0.35 113.70 120.52 1o68 s SER 81 Ca -0.02 -0.41 -0.26 0.00 1.31 0.00 0.00 55.95 56.58 1o68 s SER 81 Cb -0.14 -1.12 -0.09 0.00 0.21 0.00 0.00 66.02 64.87 1o68 s SER 81 CO 0.02 0.23 1.08 -1.81 0.41 0.00 0.00 173.24 173.17 1o68 s ASP 82 N -0.07 6.88 -0.36 2.44 1.01 -0.46 -0.99 116.67 125.12 1o68 s ASP 82 Ca -0.05 2.14 -0.23 0.00 0.71 0.00 0.00 52.55 55.12 1o68 s ASP 82 Cb -0.14 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.19 1o68 s ASP 82 CO 0.04 -0.41 0.78 -0.76 0.21 0.00 0.00 175.17 175.03 1o68 s LEU 83 N -2.27 4.13 0.76 1.23 1.43 -0.56 -4.85 118.68 118.54 1o68 s LEU 83 Ca 0.54 0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 53.90 1o68 s LEU 83 Cb -0.26 -3.02 0.05 0.00 0.03 0.00 0.00 46.19 42.99 1o68 s LEU 83 CO 0.33 -0.71 1.10 -2.16 0.23 0.00 0.00 176.35 175.13 1o68 s PRO 84 N 3.07 2.28 0.20 1.29 0.04 -1.26 -4.87 135.00 135.74 1o68 s PRO 84 Ca 0.31 1.24 -0.33 0.00 0.04 0.00 0.00 61.00 62.27 1o68 s PRO 84 Cb -0.13 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 1o68 s PRO 84 CO 0.16 -1.64 1.56 0.34 0.04 0.00 0.00 177.00 177.46 1o68 n PHE 85 N -3.35 2.36 0.00 0.56 7.35 -1.26 -1.71 117.46 121.41 1o68 n PHE 85 Ca 0.10 0.28 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 1o68 n PHE 85 Cb 0.53 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.81 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 3.07 2.79 0.24 7.13 0.00 -1.26 -4.88 105.19 112.28 1o68 n GLY 86 Ca 0.15 0.00 0.13 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 -0.85 2.98 -0.58 4.61 0.00 -0.69 -4.53 120.51 121.44 1o68 n ALA 87 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 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 -0.64 0.00 1.36 0.00 4.11 -1.26 -4.41 117.16 116.32 1o68 n TYR 88 Ca 0.13 0.00 0.14 0.00 -0.00 0.00 0.00 57.90 58.17 1o68 n TYR 88 Cb 0.33 0.00 0.60 0.00 -0.00 0.00 0.00 39.34 40.28 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 0.60 -0.09 -3.48 3.00 -1.26 -3.78 117.38 112.36 1o68 n GLN 89 Ca 0.00 -0.19 -0.08 0.00 -0.01 0.00 0.00 57.00 56.71 1o68 n GLN 89 Cb 0.04 -1.50 0.07 0.00 0.00 0.00 0.00 30.24 28.86 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 0.47 0.80 -1.77 -1.09 4.15 -1.90 -3.47 115.11 112.30 1o68 h GLN 90 Ca 0.00 -0.33 0.26 0.00 0.77 0.00 0.00 58.65 59.35 1o68 h GLN 90 Cb 0.37 -0.03 -0.12 0.00 0.21 0.00 0.00 27.48 27.91 1o68 h GLN 90 CO 0.00 0.95 0.70 -1.54 -1.93 0.00 0.00 178.83 177.02 1o68 s SER 91 N -6.76 -0.12 0.30 -0.69 1.04 -1.25 -4.99 113.70 101.23 1o68 s SER 91 Ca -0.10 -0.20 0.06 0.00 0.48 0.00 0.00 55.95 56.20 1o68 s SER 91 Cb 0.13 0.27 0.46 0.00 0.10 0.00 0.00 66.02 66.98 1o68 s SER 91 CO 0.84 -0.50 1.71 0.07 0.98 0.00 0.00 173.24 176.34 1o68 h LYS 92 N 2.00 0.25 -0.46 4.02 2.10 -1.92 -0.51 116.57 122.05 1o68 h LYS 92 Ca -0.26 -0.11 -0.11 0.00 -2.00 0.00 0.00 60.65 58.16 1o68 h LYS 92 Cb 1.21 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 1o68 h LYS 92 CO 0.27 0.61 -0.14 0.93 -2.00 0.00 0.00 179.45 179.12 1o68 h GLU 93 N 0.21 0.90 -0.57 0.07 3.07 -1.95 -0.76 114.58 115.55 1o68 h GLU 93 Ca 0.02 -0.36 -0.11 0.00 -0.50 0.00 0.00 59.36 58.41 1o68 h GLU 93 Cb 0.80 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.65 1o68 h GLU 93 CO 0.06 1.01 -0.07 0.37 -1.40 0.00 0.00 179.01 178.99 1o68 h GLN 94 N 0.74 1.05 -0.72 2.33 4.15 -1.76 -2.11 115.11 118.79 1o68 h GLN 94 Ca 0.11 -0.37 -0.02 0.00 0.77 0.00 0.00 58.65 59.14 1o68 h GLN 94 Cb 0.70 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.28 1o68 h GLN 94 CO 0.05 1.07 0.36 0.00 -1.93 0.00 0.00 178.83 178.37 1o68 h ALA 95 N 0.95 1.27 -0.14 3.38 0.00 -0.87 -1.32 119.26 122.53 1o68 h ALA 95 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1o68 h ALA 95 Cb 0.64 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1o68 h ALA 95 CO 0.04 0.57 0.05 0.35 0.00 0.00 0.00 179.25 180.27 1o68 h PHE 96 N 1.02 0.21 -0.74 0.00 3.57 -0.84 0.18 116.94 120.33 1o68 h PHE 96 Ca 0.25 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.75 1o68 h PHE 96 Cb 0.09 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 1o68 h PHE 96 CO 0.01 0.29 0.48 0.00 -2.23 0.00 0.00 178.31 176.86 1o68 h ALA 97 N 0.89 0.96 -0.26 2.41 0.00 -1.09 0.59 119.26 122.75 1o68 h ALA 97 Ca 0.05 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1o68 h ALA 97 Cb 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1o68 h ALA 97 CO -0.00 0.31 -0.58 0.00 0.00 0.00 0.00 179.25 178.98 1o68 h ALA 98 N 1.29 0.47 -0.44 0.00 0.00 -0.98 -2.80 119.26 116.80 1o68 h ALA 98 Ca 0.28 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1o68 h ALA 98 Cb -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1o68 h ALA 98 CO -0.08 0.68 0.23 0.00 0.00 0.00 0.00 179.25 180.08 1o68 h ALA 99 N 0.70 0.56 -0.84 0.00 0.00 -0.35 -2.35 119.26 116.98 1o68 h ALA 99 Ca 0.01 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.91 1o68 h ALA 99 Cb 1.18 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 1o68 h ALA 99 CO 0.13 0.09 0.49 0.00 0.00 0.00 0.00 179.25 179.96 1o68 h ALA 100 N 1.08 1.18 -0.31 0.00 0.00 -0.88 -2.54 119.26 117.79 1o68 h ALA 100 Ca 0.15 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1o68 h ALA 100 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1o68 h ALA 100 CO -0.02 0.14 0.20 0.93 0.00 0.00 0.00 179.25 180.50 1o68 h GLU 101 N 0.84 0.41 -1.41 0.00 5.08 -1.17 0.82 114.58 119.15 1o68 h GLU 101 Ca 0.39 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1o68 h GLU 101 Cb 0.32 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1o68 h GLU 101 CO -0.23 0.28 0.00 1.28 -1.00 0.00 0.00 179.01 179.34 1o68 n LEU 102 N -4.87 0.00 0.00 1.33 4.77 -0.93 -1.07 117.00 116.23 1o68 n LEU 102 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1o68 n LEU 102 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1o68 n LEU 102 CO 0.34 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.40 1o68 n ALA 104 N 0.85 0.00 0.95 -1.18 0.00 0.28 -1.94 120.51 119.47 1o68 n ALA 104 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1o68 n ALA 104 Cb 0.00 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.04 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 2.31 0.00 0.00 0.00 -0.23 -4.88 120.51 117.71 1o68 n ALA 105 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 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 1.45 0.53 3.78 0.00 0.00 -0.95 -3.32 105.19 106.69 1o68 n GLY 106 Ca 0.07 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 -1.26 2.61 -0.94 4.61 0.00 -0.82 -4.80 121.76 121.15 1o68 s ALA 107 Ca 0.00 0.58 0.10 0.00 0.00 0.00 0.00 51.96 52.64 1o68 s ALA 107 Cb 0.00 -3.30 0.26 0.00 0.00 0.00 0.00 23.12 20.07 1o68 s ALA 107 CO 0.00 -0.99 1.17 0.72 0.00 0.00 0.00 175.76 176.67 1o68 n HIS 108 N -1.97 0.37 -4.03 0.00 8.25 0.56 -4.81 115.22 113.58 1o68 n HIS 108 Ca 0.10 -0.42 -0.09 0.00 -0.26 0.00 0.00 57.72 57.06 1o68 n HIS 108 Cb 0.52 -0.02 -0.11 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.98 0.19 -0.09 1.59 -7.23 -0.32 -4.47 120.40 109.09 1o68 s VAL 110 Ca 0.20 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1o68 s VAL 110 Cb 0.11 -0.75 -0.03 0.00 0.56 0.00 0.00 36.38 36.27 1o68 s VAL 110 CO 0.15 -0.67 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.42 1o68 s LYS 111 N -2.38 3.00 0.10 4.82 2.20 -0.16 0.32 119.74 127.64 1o68 s LYS 111 Ca -0.07 -0.60 0.05 0.00 -0.36 0.00 0.00 55.97 54.99 1o68 s LYS 111 Cb -0.03 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 1o68 s LYS 111 CO -0.04 0.48 -0.14 -0.48 -0.36 0.00 0.00 175.35 174.81 1o68 s LEU 112 N -0.33 2.34 0.07 5.43 0.05 -0.46 -1.50 118.68 124.28 1o68 s LEU 112 Ca 0.04 -0.72 0.03 0.00 0.05 0.00 0.00 54.13 53.53 1o68 s LEU 112 Cb -0.13 -0.52 -0.04 0.00 -2.05 0.00 0.00 46.19 43.45 1o68 s LEU 112 CO 0.02 -0.12 0.06 -1.61 -0.55 0.00 0.00 176.35 174.15 1o68 s GLU 113 N -2.23 2.83 0.00 1.48 2.02 -1.26 -0.26 118.70 121.27 1o68 s GLU 113 Ca 0.04 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1o68 s GLU 113 Cb -0.07 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1o68 s GLU 113 CO 0.02 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.29 1o68 n GLY 114 N 0.61 4.23 0.00 -1.39 0.00 -0.93 -4.93 105.19 102.78 1o68 n GLY 114 Ca -0.10 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.71 1.18 0.30 -0.02 0.00 -1.26 -4.66 105.19 99.02 1o68 n GLY 115 Ca 0.00 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.19 116.25 115.61 1o68 h VAL 116 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1o68 h VAL 116 Cb 0.00 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1o68 h VAL 116 CO 0.00 0.00 0.00 -2.67 0.02 0.00 0.00 177.57 174.92 1o68 n TRP 117 N -4.21 0.00 0.00 1.57 2.14 -1.26 -4.43 117.44 111.26 1o68 n TRP 117 Ca -0.00 -0.36 0.00 0.00 2.07 0.00 0.00 57.50 59.20 1o68 n TRP 117 Cb 0.21 -0.28 0.00 0.00 -0.81 0.00 0.00 31.31 30.42 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 1.34 0.00 0.22 -1.67 0.00 -1.21 -4.72 120.51 114.47 1o68 n ALA 119 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1o68 n ALA 119 Cb 0.23 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.25 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 0.06 -0.18 0.00 4.81 -1.93 -1.81 114.58 115.53 1o68 h GLU 120 Ca 0.00 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1o68 h GLU 120 Cb 0.00 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.38 1o68 h GLU 120 CO 0.00 0.11 -0.69 1.15 -0.73 0.00 0.00 179.01 178.84 1o68 h THR 121 N 0.06 1.29 -0.33 0.32 2.02 -1.95 -2.15 112.91 112.16 1o68 h THR 121 Ca 0.01 -1.89 0.02 0.00 0.77 0.00 0.00 66.41 65.32 1o68 h THR 121 Cb 0.11 1.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 1o68 h THR 121 CO 0.01 0.60 0.17 0.74 0.37 0.00 0.00 175.52 177.40 1o68 h THR 122 N 0.52 0.99 -0.44 3.16 2.02 -1.75 -1.51 112.91 115.89 1o68 h THR 122 Ca -0.04 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 1o68 h THR 122 Cb 1.32 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1o68 h THR 122 CO 0.15 0.06 0.18 -0.08 0.37 0.00 0.00 175.52 176.20 1o68 h GLU 123 N 0.35 0.66 -0.50 6.66 4.81 -1.38 0.05 114.58 125.24 1o68 h GLU 123 Ca 0.14 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1o68 h GLU 123 Cb 0.05 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.27 1o68 h GLU 123 CO -0.09 0.61 0.20 0.35 -0.73 0.00 0.00 179.01 179.34 1o68 h PHE 124 N 0.58 0.36 0.04 0.92 3.57 -1.06 -3.07 116.94 118.27 1o68 h PHE 124 Ca 0.15 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1o68 h PHE 124 Cb 0.19 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1o68 h PHE 124 CO 0.00 0.13 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.13 1o68 h LEU 125 N 0.39 -0.05 -3.15 0.59 4.07 -1.00 -3.17 115.31 112.99 1o68 h LEU 125 Ca 0.24 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1o68 h LEU 125 Cb 0.22 0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1o68 h LEU 125 CO -0.22 0.45 0.00 0.00 -1.08 0.00 0.00 178.44 177.59 1o68 n GLN 126 N -4.88 0.02 0.00 1.13 -0.00 -0.02 -1.54 117.38 112.09 1o68 n GLN 126 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.91 1o68 n GLN 126 Cb 0.26 -1.49 0.00 0.00 -0.00 0.00 0.00 30.24 29.01 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 1.57 0.00 -0.41 2.61 1.74 -1.20 -3.80 116.66 117.17 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 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 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 0.79 3.26 -0.13 0.00 -1.15 -5.05 105.19 102.90 1o68 n GLY 129 Ca 0.00 -0.06 -0.37 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 -2.00 3.68 0.27 -0.61 1.01 -0.59 -5.07 121.20 117.90 1o68 s ILE 130 Ca 0.00 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.22 1o68 s ILE 130 Cb 0.00 -3.07 -0.11 0.00 0.01 0.00 0.00 42.46 39.29 1o68 s ILE 130 CO 0.00 -0.15 1.51 -2.84 0.00 0.00 0.00 174.94 173.46 1o68 s PRO 131 N 1.39 4.20 -0.07 2.79 0.02 -1.26 -2.86 135.00 139.21 1o68 s PRO 131 Ca -0.02 2.43 0.05 0.00 0.02 0.00 0.00 61.00 63.48 1o68 s PRO 131 Cb -0.19 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.24 1o68 s PRO 131 CO 0.02 -0.51 -0.21 0.08 -0.33 0.00 0.00 177.00 176.04 1o68 s VAL 132 N -0.02 2.37 -0.35 3.83 1.01 -1.26 -1.17 120.40 124.80 1o68 s VAL 132 Ca 0.61 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 1o68 s VAL 132 Cb -0.45 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.07 1o68 s VAL 132 CO 0.46 0.57 0.16 0.00 0.00 0.00 0.00 175.10 176.28 1o68 s ALA 134 N 1.50 3.58 -0.39 0.00 0.00 -0.32 -1.36 121.76 124.77 1o68 s ALA 134 Ca 0.01 -0.07 -0.15 0.00 0.00 0.00 0.00 51.96 51.75 1o68 s ALA 134 Cb -0.19 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1o68 s ALA 134 CO 0.05 -0.77 0.31 -1.58 0.00 0.00 0.00 175.76 173.77 1o68 s HIS 135 N 2.46 3.22 0.43 0.00 2.46 0.64 0.78 115.29 125.29 1o68 s HIS 135 Ca 0.36 -0.42 0.06 0.00 0.47 0.00 0.00 55.06 55.53 1o68 s HIS 135 Cb -0.16 -2.61 -0.07 0.00 -0.13 0.00 0.00 32.58 29.61 1o68 s HIS 135 CO 0.10 -0.54 0.01 0.96 -2.47 0.00 0.00 174.74 172.80 1o68 s ILE 136 N 1.79 1.86 0.00 0.89 -4.36 0.01 -2.20 121.20 119.18 1o68 s ILE 136 Ca 0.07 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 1o68 s ILE 136 Cb -0.18 -2.85 0.00 0.00 1.25 0.00 0.00 42.46 40.68 1o68 s ILE 136 CO 0.11 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.90 1o68 n GLY 137 N -1.03 1.16 3.61 6.27 0.00 -1.26 -2.90 105.19 111.04 1o68 n GLY 137 Ca -0.07 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 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 3.68 -0.45 0.99 0.20 -0.87 -4.96 118.68 117.27 1o68 s LEU 138 Ca 0.00 0.92 -0.05 0.00 0.69 0.00 0.00 54.13 55.69 1o68 s LEU 138 Cb 0.00 -3.54 0.12 0.00 -0.43 0.00 0.00 46.19 42.34 1o68 s LEU 138 CO 0.00 -1.32 0.27 0.42 -0.29 0.00 0.00 176.35 175.44 1o68 s THR 139 N 5.05 3.67 0.63 3.68 -4.23 -1.26 -4.60 115.64 118.57 1o68 s THR 139 Ca 0.59 -2.01 0.27 0.00 -1.18 0.00 0.00 61.69 59.36 1o68 s THR 139 Cb -0.14 -3.47 0.33 0.00 1.34 0.00 0.00 72.50 70.56 1o68 s THR 139 CO 0.30 -0.74 1.82 -0.65 -0.54 0.00 0.00 174.62 174.81 1o68 h PRO 140 N 8.14 0.00 0.00 3.99 0.11 -1.99 -0.35 132.00 141.90 1o68 h PRO 140 Ca -0.15 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 1o68 h PRO 140 Cb 1.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1o68 h PRO 140 CO 0.76 0.00 -0.08 1.96 -0.21 0.00 0.00 178.00 180.43 1o68 h GLN 141 N 0.00 0.00 -0.76 1.05 4.20 -1.97 -2.09 115.11 115.55 1o68 h GLN 141 Ca 0.13 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.44 1o68 h GLN 141 Cb 1.10 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.64 1o68 h GLN 141 CO -0.00 0.08 0.37 -1.13 -0.67 0.00 0.00 178.83 177.49 1o68 n SER 142 N -3.27 3.40 -0.22 1.46 3.41 -0.14 -4.67 113.62 113.58 1o68 n SER 142 Ca -0.00 -3.69 0.08 0.00 -0.26 0.00 0.00 58.87 55.00 1o68 n SER 142 Cb 0.30 -0.77 0.35 0.00 -0.26 0.00 0.00 64.21 63.83 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 1.01 0.97 0.00 -3.33 3.04 -1.50 -0.38 116.25 116.06 1o68 h VAL 143 Ca 0.48 -0.26 -0.10 0.00 -1.01 0.00 0.00 66.70 65.81 1o68 h VAL 143 Cb 2.35 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.75 1o68 h VAL 143 CO 0.86 0.14 -0.48 -0.26 -1.01 0.00 0.00 177.57 176.82 1o68 h PHE 144 N 0.77 0.00 0.00 3.17 -1.00 -1.85 -3.52 116.94 114.50 1o68 h PHE 144 Ca 0.36 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.14 1o68 h PHE 144 Cb 0.40 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.96 1o68 h PHE 144 CO -0.00 0.48 0.00 0.00 -1.61 0.00 0.00 178.31 177.17 1o68 n ALA 145 N -2.30 0.00 -0.13 2.45 0.00 -0.16 -5.27 120.51 115.11 1o68 n ALA 145 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1o68 n ALA 145 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 1o68 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o68 n ALA 158 N -3.00 1.39 -0.10 0.00 0.00 -1.26 -5.14 120.51 112.39 1o68 n ALA 158 Ca 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 53.44 52.34 1o68 n ALA 158 Cb 0.00 0.05 0.12 0.00 0.00 0.00 0.00 19.45 19.63 1o68 n ALA 158 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1o68 h GLN 159 N -0.49 0.80 -0.57 0.00 5.75 -2.04 -1.66 115.11 116.89 1o68 h GLN 159 Ca -0.61 -0.26 -0.09 0.00 -0.15 0.00 0.00 58.65 57.54 1o68 h GLN 159 Cb 1.71 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 30.17 1o68 h GLN 159 CO -0.25 0.86 -0.01 0.00 -2.65 0.00 0.00 178.83 176.79 1o68 h ALA 160 N 1.17 0.77 -0.56 3.38 0.00 -2.05 -1.23 119.26 120.73 1o68 h ALA 160 Ca 0.13 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1o68 h ALA 160 Cb 0.57 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1o68 h ALA 160 CO 0.04 0.61 0.09 1.25 0.00 0.00 0.00 179.25 181.24 1o68 h LEU 161 N 0.90 0.90 -0.48 0.00 5.85 -1.93 -0.77 115.31 119.78 1o68 h LEU 161 Ca 0.16 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1o68 h LEU 161 Cb 0.56 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1o68 h LEU 161 CO 0.03 0.93 0.25 0.25 -0.34 0.00 0.00 178.44 179.56 1o68 h LEU 162 N 0.83 0.60 -0.64 2.25 7.12 -1.16 -1.17 115.31 123.14 1o68 h LEU 162 Ca 0.17 -0.10 0.02 0.00 0.13 0.00 0.00 57.88 58.10 1o68 h LEU 162 Cb 0.41 -0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 40.35 1o68 h LEU 162 CO 0.01 0.53 0.41 0.78 -0.13 0.00 0.00 178.44 180.04 1o68 h ASN 163 N 0.63 0.68 -0.02 1.25 2.35 -1.03 -0.65 115.58 118.79 1o68 h ASN 163 Ca 0.17 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1o68 h ASN 163 Cb 0.07 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1o68 h ASN 163 CO -0.02 0.48 0.01 0.44 -1.65 0.00 0.00 177.43 176.69 1o68 h ASP 164 N 0.81 0.02 -0.09 5.81 3.32 -0.79 0.38 116.42 125.87 1o68 h ASP 164 Ca 0.25 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.33 1o68 h ASP 164 Cb -0.02 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 1o68 h ASP 164 CO -0.09 0.02 -0.23 0.00 -1.72 0.00 0.00 179.24 177.23 1o68 h ALA 165 N 1.00 -0.23 -0.21 3.45 0.00 -0.93 -2.10 119.26 120.23 1o68 h ALA 165 Ca 0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1o68 h ALA 165 Cb 0.01 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1o68 h ALA 165 CO -0.00 -0.70 0.12 0.87 0.00 0.00 0.00 179.25 179.54 1o68 h LYS 166 N -0.31 0.29 -0.42 0.00 1.57 -1.00 -1.63 116.57 115.06 1o68 h LYS 166 Ca 0.09 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.92 1o68 h LYS 166 Cb 0.44 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 1o68 h LYS 166 CO -0.28 0.25 -0.04 0.00 -0.57 0.00 0.00 179.45 178.82 1o68 h ALA 167 N 1.02 0.36 -0.57 3.86 0.00 -0.73 0.13 119.26 123.32 1o68 h ALA 167 Ca 0.07 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1o68 h ALA 167 Cb 0.04 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1o68 h ALA 167 CO -0.01 -0.41 0.05 0.45 0.00 0.00 0.00 179.25 179.32 1o68 h HIS 168 N 0.07 1.05 -0.31 0.00 3.86 -1.26 -1.55 115.15 117.01 1o68 h HIS 168 Ca 0.21 -0.16 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1o68 h HIS 168 Cb 0.31 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 1o68 h HIS 168 CO -0.31 0.93 0.15 0.22 0.86 0.00 0.00 177.93 179.78 1o68 h ASP 169 N 0.87 0.22 -0.43 2.45 -0.00 -0.94 0.52 116.42 119.12 1o68 h ASP 169 Ca 0.17 0.02 -0.02 0.00 -0.00 0.00 0.00 57.03 57.20 1o68 h ASP 169 Cb 0.48 -0.02 -0.02 0.00 -0.00 0.00 0.00 39.33 39.76 1o68 h ASP 169 CO 0.02 0.16 0.21 -0.78 -0.00 0.00 0.00 179.24 178.85 1o68 h ASP 170 N 0.31 0.59 0.93 2.28 1.82 -0.62 -0.44 116.42 121.28 1o68 h ASP 170 Ca 0.13 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1o68 h ASP 170 Cb 0.05 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 39.91 1o68 h ASP 170 CO -0.10 0.52 0.00 0.00 -1.61 0.00 0.00 179.24 178.05 1o68 n ALA 171 N -2.46 2.02 0.00 -0.78 0.00 -0.60 -4.90 120.51 113.78 1o68 n ALA 171 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1o68 n ALA 171 Cb 0.13 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 0.78 1.10 3.65 0.00 0.00 -0.17 -3.74 105.19 106.80 1o68 n GLY 172 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.77 0.64 0.10 4.61 0.00 0.08 -4.81 120.51 119.37 1o68 n ALA 173 Ca 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.66 1o68 n ALA 173 Cb 0.00 -2.16 -0.12 0.00 0.00 0.00 0.00 19.45 17.17 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 2.40 0.13 -3.17 0.00 0.00 -1.50 -3.45 119.26 113.67 1o68 h ALA 174 Ca -0.43 -0.86 -0.19 0.00 0.00 0.00 0.00 54.91 53.44 1o68 h ALA 174 Cb 1.31 0.01 -0.23 0.00 0.00 0.00 0.00 17.79 18.88 1o68 h ALA 174 CO 0.62 0.94 -0.70 0.08 0.00 0.00 0.00 179.25 180.19 1o68 s VAL 175 N -2.75 0.08 -0.20 0.00 1.01 -1.04 -4.09 120.40 113.41 1o68 s VAL 175 Ca -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1o68 s VAL 175 Cb 0.07 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.27 1o68 s VAL 175 CO 0.88 -0.37 -0.15 -0.69 0.00 0.00 0.00 175.10 174.77 1o68 s VAL 176 N -1.07 2.34 0.43 2.92 1.01 -0.78 -1.18 120.40 124.08 1o68 s VAL 176 Ca -0.12 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 60.94 1o68 s VAL 176 Cb -0.07 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.28 1o68 s VAL 176 CO -0.01 0.42 0.37 -0.11 0.00 0.00 0.00 175.10 175.77 1o68 n LEU 177 N 4.63 0.00 -3.55 3.92 0.00 0.23 -1.22 117.00 121.02 1o68 n LEU 177 Ca -0.19 -2.20 0.02 0.00 0.00 0.00 0.00 56.01 53.63 1o68 n LEU 177 Cb 0.49 -0.08 -0.06 0.00 0.00 0.00 0.00 43.42 43.78 1o68 n LEU 177 CO 0.26 -0.54 0.89 -0.70 0.00 0.00 0.00 177.39 177.30 1o68 s GLU 179 N -3.81 0.14 -0.93 1.96 2.12 -1.14 -0.81 118.70 116.22 1o68 s GLU 179 Ca 0.28 0.26 -0.08 0.00 0.36 0.00 0.00 54.97 55.79 1o68 s GLU 179 Cb -0.02 0.07 -0.01 0.00 0.26 0.00 0.00 34.13 34.42 1o68 s GLU 179 CO 0.18 -0.03 0.74 0.00 -0.54 0.00 0.00 175.26 175.60 1o68 s VAL 181 N -3.20 1.18 -0.27 0.00 1.01 0.29 -4.57 120.40 114.84 1o68 s VAL 181 Ca 0.22 -0.76 -0.41 0.00 0.00 0.00 0.00 61.98 61.02 1o68 s VAL 181 Cb -0.07 -1.01 -0.17 0.00 0.00 0.00 0.00 36.38 35.14 1o68 s VAL 181 CO 0.82 0.24 1.66 0.18 0.00 0.00 0.00 175.10 177.99 1o68 n LEU 182 N 2.45 2.04 -0.34 3.92 4.77 -1.26 -4.16 117.00 124.41 1o68 n LEU 182 Ca -0.15 1.10 0.16 0.00 -0.03 0.00 0.00 56.01 57.08 1o68 n LEU 182 Cb 0.55 -1.10 0.36 0.00 -2.33 0.00 0.00 43.42 40.90 1o68 n LEU 182 CO 0.24 -0.61 1.16 0.00 -1.33 0.00 0.00 177.39 176.85 1o68 h ALA 183 N 6.43 1.72 -0.24 -1.18 0.00 -1.89 0.63 119.26 124.73 1o68 h ALA 183 Ca -0.46 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1o68 h ALA 183 Cb 1.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1o68 h ALA 183 CO 0.94 -0.20 -0.10 1.05 0.00 0.00 0.00 179.25 180.94 1o68 h GLU 184 N 0.63 0.38 0.03 0.00 4.11 -1.87 -1.30 114.58 116.57 1o68 h GLU 184 Ca 0.61 -0.09 -0.25 0.00 0.07 0.00 0.00 59.36 59.70 1o68 h GLU 184 Cb 1.10 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.31 1o68 h GLU 184 CO -0.45 0.49 -1.05 1.25 0.07 0.00 0.00 179.01 179.33 1o68 h LEU 185 N 0.36 0.66 -1.12 3.06 5.85 -0.14 -2.73 115.31 121.25 1o68 h LEU 185 Ca 0.07 -0.56 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 1o68 h LEU 185 Cb 0.40 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1o68 h LEU 185 CO 0.02 1.37 0.27 0.00 -0.34 0.00 0.00 178.44 179.76 1o68 h ALA 186 N 0.58 1.31 0.19 1.25 0.00 -0.81 0.02 119.26 121.80 1o68 h ALA 186 Ca -0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1o68 h ALA 186 Cb 1.70 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1o68 h ALA 186 CO 0.19 0.52 -0.09 -0.22 0.00 0.00 0.00 179.25 179.65 1o68 h LYS 187 N 0.88 -0.24 -0.57 0.00 3.64 -1.22 -0.80 116.57 118.27 1o68 h LYS 187 Ca 0.21 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 1o68 h LYS 187 Cb 0.13 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 1o68 h LYS 187 CO -0.02 -0.08 0.31 -0.22 -2.27 0.00 0.00 179.45 177.17 1o68 h LYS 188 N -0.35 0.57 -0.22 1.90 3.64 -1.10 -2.24 116.57 118.78 1o68 h LYS 188 Ca -0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1o68 h LYS 188 Cb 0.27 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1o68 h LYS 188 CO 0.04 0.38 0.14 0.28 -2.27 0.00 0.00 179.45 178.02 1o68 h VAL 189 N 0.59 1.05 -0.54 2.00 2.07 -0.95 -0.93 116.25 119.54 1o68 h VAL 189 Ca 0.25 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1o68 h VAL 189 Cb 0.13 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1o68 h VAL 189 CO -0.16 0.05 0.36 0.74 0.02 0.00 0.00 177.57 178.58 1o68 h THR 190 N 0.29 1.08 0.00 2.57 2.02 -0.68 -1.51 112.91 116.68 1o68 h THR 190 Ca 0.08 -0.22 -0.17 0.00 0.77 0.00 0.00 66.41 66.87 1o68 h THR 190 Cb -0.03 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 1o68 h THR 190 CO -0.02 0.12 -0.82 -0.33 0.37 0.00 0.00 175.52 174.84 1o68 h GLU 191 N 0.64 0.00 0.13 6.66 5.08 -1.12 -3.34 114.58 122.63 1o68 h GLU 191 Ca 0.21 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.29 1o68 h GLU 191 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1o68 h GLU 191 CO -0.05 0.82 -1.28 1.15 -1.00 0.00 0.00 179.01 178.64 1o68 h THR 192 N 0.00 1.45 -3.45 1.13 2.02 -0.22 -3.46 112.91 110.38 1o68 h THR 192 Ca -0.01 -3.02 -0.54 0.00 0.77 0.00 0.00 66.41 63.61 1o68 h THR 192 Cb 1.57 2.93 -0.03 0.00 -1.74 0.00 0.00 68.15 70.88 1o68 h THR 192 CO 0.11 0.88 -0.02 0.68 0.37 0.00 0.00 175.52 177.53 1o68 s VAL 193 N -2.65 4.78 0.19 3.16 -7.23 -0.67 -4.99 120.40 113.00 1o68 s VAL 193 Ca -0.05 0.88 0.06 0.00 -1.81 0.00 0.00 61.98 61.07 1o68 s VAL 193 Cb 0.07 -3.72 -0.13 0.00 0.56 0.00 0.00 36.38 33.16 1o68 s VAL 193 CO 0.88 0.12 1.42 0.77 -0.31 0.00 0.00 175.10 177.99 1o68 h SER 194 N 3.18 0.10 -4.04 4.85 4.64 -1.90 -3.45 113.55 116.93 1o68 h SER 194 Ca -0.48 -0.08 -0.49 0.00 -0.47 0.00 0.00 61.79 60.27 1o68 h SER 194 Cb 1.19 -0.03 0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1o68 h SER 194 CO 0.66 0.88 0.29 0.00 -0.87 0.00 0.00 176.83 177.80 1o68 s PRO 196 N -4.43 2.42 0.19 0.00 0.02 -1.26 -4.79 135.00 127.15 1o68 s PRO 196 Ca 0.54 1.89 0.11 0.00 0.02 0.00 0.00 61.00 63.55 1o68 s PRO 196 Cb -0.10 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 1o68 s PRO 196 CO 0.40 -1.65 -0.20 0.95 -0.33 0.00 0.00 177.00 176.17 1o68 s THR 197 N -1.70 2.62 -0.05 0.99 -4.23 -1.26 -1.86 115.64 110.14 1o68 s THR 197 Ca 0.78 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.40 1o68 s THR 197 Cb -0.32 -2.27 0.02 0.00 1.34 0.00 0.00 72.50 71.26 1o68 s THR 197 CO 0.41 -0.11 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.67 1o68 s ILE 198 N -1.67 0.82 0.30 2.99 -1.09 -0.36 -1.91 121.20 120.29 1o68 s ILE 198 Ca 0.22 -0.31 0.11 0.00 -2.23 0.00 0.00 60.65 58.44 1o68 s ILE 198 Cb -0.08 -0.78 -0.05 0.00 -1.58 0.00 0.00 42.46 39.96 1o68 s ILE 198 CO 0.11 0.28 -0.15 -0.83 -1.23 0.00 0.00 174.94 173.12 1o68 s GLY 199 N 0.70 1.98 -0.28 6.18 0.00 -0.32 -4.25 107.32 111.32 1o68 s GLY 199 Ca -0.12 -1.94 0.02 0.00 0.00 0.00 0.00 44.72 42.68 1o68 s GLY 199 CO 0.02 -1.98 0.46 -1.50 0.00 0.00 0.00 173.10 170.10 1o68 s ILE 200 N -2.53 -0.75 -0.42 0.90 2.07 -1.26 -1.03 121.20 118.18 1o68 s ILE 200 Ca 0.31 -0.17 -0.01 0.00 -1.41 0.00 0.00 60.65 59.37 1o68 s ILE 200 Cb -0.03 -0.97 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1o68 s ILE 200 CO 0.16 -0.17 0.10 0.61 -1.91 0.00 0.00 174.94 173.72 1o68 n GLY 201 N 5.38 0.29 0.00 1.50 0.00 -1.26 -0.01 105.19 111.09 1o68 n GLY 201 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.86 1.36 0.00 4.61 0.00 -1.26 -0.55 120.51 122.81 1o68 n ALA 202 Ca -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1o68 n ALA 202 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.12 0.21 0.96 0.00 0.00 -1.26 -4.08 105.19 100.90 1o68 n GLY 203 Ca 0.00 -2.03 0.12 0.00 0.00 0.00 0.00 46.02 44.11 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 0.74 2.45 1.95 4.61 0.00 -1.26 -4.32 120.51 124.68 1o68 n ALA 204 Ca 0.00 -0.74 0.12 0.00 0.00 0.00 0.00 53.44 52.82 1o68 n ALA 204 Cb 0.00 -0.79 0.70 0.00 0.00 0.00 0.00 19.45 19.36 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 1.33 0.11 -4.89 0.00 8.00 -1.26 -4.78 116.55 115.06 1o68 n ASP 205 Ca 0.14 -1.27 -0.29 0.00 0.71 0.00 0.00 54.79 54.08 1o68 n ASP 205 Cb 0.58 -0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.71 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 -2.81 0.00 -3.51 0.00 8.00 -0.94 -4.86 116.55 112.43 1o68 n ASP 207 Ca 0.06 0.48 -0.02 0.00 0.71 0.00 0.00 54.79 56.02 1o68 n ASP 207 Cb 0.57 -0.49 0.01 0.00 -0.02 0.00 0.00 41.12 41.19 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 -2.98 -0.02 0.11 0.44 0.00 -0.80 -0.48 107.32 103.58 1o68 s GLY 208 Ca 0.10 -0.12 0.05 0.00 0.00 0.00 0.00 44.72 44.75 1o68 s GLY 208 CO 0.35 2.15 -0.12 1.20 0.00 0.00 0.00 173.10 176.68 1o68 s GLN 209 N -2.38 0.93 0.01 2.90 -1.52 0.05 -1.18 119.66 118.48 1o68 s GLN 209 Ca 0.20 -1.20 -0.00 0.00 -1.95 0.00 0.00 55.36 52.41 1o68 s GLN 209 Cb -0.01 -0.71 -0.01 0.00 -0.22 0.00 0.00 33.01 32.05 1o68 s GLN 209 CO 0.03 0.12 -0.02 0.54 -0.25 0.00 0.00 175.29 175.72 1o68 s VAL 210 N -2.30 0.08 -0.00 1.09 0.11 -0.19 -4.53 120.40 114.65 1o68 s VAL 210 Ca 0.07 -0.68 -0.13 0.00 -2.93 0.00 0.00 61.98 58.31 1o68 s VAL 210 Cb -0.04 -0.20 0.02 0.00 -1.53 0.00 0.00 36.38 34.63 1o68 s VAL 210 CO 0.01 -0.37 0.27 -0.76 -3.33 0.00 0.00 175.10 170.93 1o68 s LEU 211 N -1.09 1.00 0.00 2.54 1.43 -1.26 -4.50 118.68 116.80 1o68 s LEU 211 Ca -0.12 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1o68 s LEU 211 Cb -0.07 1.16 0.00 0.00 0.03 0.00 0.00 46.19 47.30 1o68 s LEU 211 CO -0.01 -0.45 0.00 0.52 0.23 0.00 0.00 176.35 176.64 1o68 n VAL 212 N 1.22 0.00 0.00 -1.59 0.31 -1.26 -2.38 118.33 114.64 1o68 n VAL 212 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1o68 n VAL 212 Cb 0.56 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 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 -0.16 0.00 0.02 3.52 8.25 -1.26 -4.68 115.22 120.91 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 0.03 0.00 0.41 8.00 -1.26 -1.47 116.55 122.26 1o68 n ASP 215 Ca 0.00 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1o68 n ASP 215 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.58 0.00 -3.18 0.64 4.77 -1.26 -4.41 117.00 114.14 1o68 n LEU 217 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 1o68 n LEU 217 Cb 0.01 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1o68 n LEU 217 CO 0.00 0.00 0.16 0.61 -1.33 0.00 0.00 177.39 176.83 1o68 n GLY 218 N 0.05 -0.32 0.20 -0.72 0.00 -0.89 -4.91 105.19 98.61 1o68 n GLY 218 Ca 0.00 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.04 0.26 -2.85 -0.61 1.08 -1.46 -3.44 117.51 108.44 1o68 h ILE 219 Ca -0.51 -1.32 -0.67 0.00 -0.39 0.00 0.00 64.86 61.97 1o68 h ILE 219 Cb 1.31 2.08 -0.09 0.00 -3.07 0.00 0.00 36.82 37.05 1o68 h ILE 219 CO 0.47 0.15 -0.52 -0.36 -0.69 0.00 0.00 178.15 177.19 1o68 s PHE 220 N -3.18 3.46 0.73 1.37 0.40 -1.26 -5.10 117.98 114.40 1o68 s PHE 220 Ca 0.06 0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 56.70 1o68 s PHE 220 Cb 0.06 -1.89 0.03 0.00 0.51 0.00 0.00 43.02 41.73 1o68 s PHE 220 CO 0.68 0.65 1.08 -1.25 0.70 0.00 0.00 175.22 177.09 1o68 s PRO 221 N -0.98 2.55 0.00 0.24 0.04 -1.26 -4.88 135.00 130.70 1o68 s PRO 221 Ca 0.14 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1o68 s PRO 221 Cb -0.12 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1o68 s PRO 221 CO 0.03 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.07 1o68 n GLY 222 N -1.31 -1.88 3.48 0.56 0.00 -1.26 -4.93 105.19 99.85 1o68 n GLY 222 Ca 0.09 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 1o68 n GLY 222 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o68 n LYS 223 N -2.36 0.05 -3.07 1.61 4.01 -1.26 -5.01 118.16 112.13 1o68 n LYS 223 Ca 0.00 0.07 -0.21 0.00 -0.51 0.00 0.00 58.31 57.66 1o68 n LYS 223 Cb 0.00 -1.94 0.01 0.00 -0.51 0.00 0.00 35.03 32.59 1o68 n LYS 223 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1o68 s THR 224 N -2.14 3.76 0.84 -0.18 2.01 -1.26 -5.06 115.64 113.61 1o68 s THR 224 Ca 0.63 -0.70 -0.13 0.00 0.31 0.00 0.00 61.69 61.80 1o68 s THR 224 Cb -0.28 -3.36 0.06 0.00 0.01 0.00 0.00 72.50 68.92 1o68 s THR 224 CO 0.61 -0.21 0.86 0.00 -0.69 0.00 0.00 174.62 175.19 1o68 n ALA 225 N -1.98 -1.06 -0.19 7.40 0.00 -1.26 -4.87 120.51 118.54 1o68 n ALA 225 Ca 0.02 -0.41 0.03 0.00 0.00 0.00 0.00 53.44 53.08 1o68 n ALA 225 Cb 0.58 -2.05 0.29 0.00 0.00 0.00 0.00 19.45 18.27 1o68 n ALA 225 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1o68 h LYS 226 N -1.09 0.87 -0.21 0.00 3.64 -1.97 -2.06 116.57 115.76 1o68 h LYS 226 Ca -0.45 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1o68 h LYS 226 Cb 1.30 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1o68 h LYS 226 CO 0.42 0.58 0.00 1.97 -2.27 0.00 0.00 179.45 180.14 1o68 n PHE 227 N -4.45 0.27 -4.36 1.91 1.16 -1.26 -3.78 117.46 106.94 1o68 n PHE 227 Ca 0.09 -0.13 -0.33 0.00 -1.87 0.00 0.00 57.45 55.20 1o68 n PHE 227 Cb 0.11 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 37.88 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 -1.73 4.07 -0.07 1.97 1.01 -0.78 -4.64 120.40 120.23 1o68 s VAL 228 Ca 0.30 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1o68 s VAL 228 Cb 0.16 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 1o68 s VAL 228 CO 0.24 0.45 -0.23 -0.75 0.00 0.00 0.00 175.10 174.82 1o68 s LYS 229 N -1.31 2.62 -0.39 2.72 2.20 -1.26 -4.69 119.74 119.64 1o68 s LYS 229 Ca 0.17 -0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 54.66 1o68 s LYS 229 Cb -0.11 -2.10 0.02 0.00 -1.51 0.00 0.00 37.83 34.12 1o68 s LYS 229 CO 0.07 0.25 1.18 1.21 -0.36 0.00 0.00 175.35 177.71 1o68 s ASN 230 N 0.13 6.69 -0.96 1.43 3.84 -1.26 -4.78 114.94 120.03 1o68 s ASN 230 Ca -0.11 0.81 -0.03 0.00 0.21 0.00 0.00 52.86 53.74 1o68 s ASN 230 Cb -0.15 -2.55 0.21 0.00 -0.55 0.00 0.00 41.25 38.21 1o68 s ASN 230 CO 0.06 -1.14 2.25 0.49 -2.79 0.00 0.00 177.10 175.97 1o68 n PHE 231 N 7.64 2.49 -1.07 0.43 3.01 -1.26 -4.97 117.46 123.73 1o68 n PHE 231 Ca 0.13 -2.46 0.00 0.00 1.01 0.00 0.00 57.45 56.13 1o68 n PHE 231 Cb 0.48 -1.44 0.00 0.00 -0.01 0.00 0.00 39.48 38.51 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 0.62 0.00 -0.44 -1.08 0.00 -1.26 -4.40 117.38 110.81 1o68 n GLN 233 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.54 1o68 n GLN 233 Cb 0.32 -0.40 0.00 0.00 0.00 0.00 0.00 30.24 30.16 1o68 n GLN 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1o68 n GLY 234 N 0.03 0.93 3.23 1.69 0.00 -1.26 -5.02 105.19 104.79 1o68 n GLY 234 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.99 1.39 -0.25 1.61 4.02 -1.26 -5.05 115.29 112.77 1o68 s HIS 235 Ca 0.00 -0.51 0.11 0.00 1.02 0.00 0.00 55.06 55.68 1o68 s HIS 235 Cb 0.00 -0.74 0.48 0.00 -1.02 0.00 0.00 32.58 31.29 1o68 s HIS 235 CO 0.00 0.13 1.39 -0.40 1.02 0.00 0.00 174.74 176.88 1o68 n ASP 236 N 0.79 2.52 -3.63 1.40 5.75 -1.26 -4.97 116.55 117.14 1o68 n ASP 236 Ca -0.17 -3.64 -0.13 0.00 -0.01 0.00 0.00 54.79 50.84 1o68 n ASP 236 Cb 0.56 -0.59 -0.07 0.00 -1.03 0.00 0.00 41.12 39.99 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 -2.61 -0.67 0.18 -1.12 1.04 -1.26 -5.05 113.70 104.21 1o68 s SER 237 Ca 0.42 1.29 -0.13 0.00 0.48 0.00 0.00 55.95 58.02 1o68 s SER 237 Cb 0.38 1.31 0.09 0.00 0.10 0.00 0.00 66.02 67.90 1o68 s SER 237 CO 0.00 -0.22 1.81 0.58 0.98 0.00 0.00 173.24 176.39 1o68 h VAL 238 N 3.90 1.18 -0.97 5.02 2.07 -1.99 -2.06 116.25 123.39 1o68 h VAL 238 Ca -0.29 -0.40 0.11 0.00 0.82 0.00 0.00 66.70 66.94 1o68 h VAL 238 Cb 1.16 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 1o68 h VAL 238 CO 0.07 0.18 0.62 0.06 0.02 0.00 0.00 177.57 178.52 1o68 h GLN 239 N 0.80 0.94 -0.21 1.57 -0.00 -1.96 -0.50 115.11 115.75 1o68 h GLN 239 Ca 0.21 -0.06 -0.17 0.00 -0.00 0.00 0.00 58.65 58.64 1o68 h GLN 239 Cb -0.01 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.48 27.25 1o68 h GLN 239 CO -0.04 0.62 -0.56 0.00 -0.00 0.00 0.00 178.83 178.86 1o68 h ALA 240 N 1.54 0.63 -0.47 0.06 0.00 -1.87 -1.27 119.26 117.88 1o68 h ALA 240 Ca 0.47 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1o68 h ALA 240 Cb 0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1o68 h ALA 240 CO -0.23 0.69 0.12 0.00 0.00 0.00 0.00 179.25 179.83 1o68 h ALA 241 N 0.89 1.34 0.11 0.00 0.00 -0.46 -1.26 119.26 119.88 1o68 h ALA 241 Ca 0.01 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.46 1o68 h ALA 241 Cb 1.12 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.73 1o68 h ALA 241 CO 0.11 0.48 -1.20 0.28 0.00 0.00 0.00 179.25 178.91 1o68 h VAL 242 N 0.68 1.34 -0.94 0.00 2.07 -1.07 -2.89 116.25 115.44 1o68 h VAL 242 Ca 0.16 -2.57 0.03 0.00 0.82 0.00 0.00 66.70 65.13 1o68 h VAL 242 Cb 0.24 2.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 1o68 h VAL 242 CO -0.00 0.77 0.62 0.03 0.02 0.00 0.00 177.57 179.01 1o68 h ARG 243 N 0.23 1.19 -0.67 1.57 3.08 -0.86 -0.41 114.38 118.51 1o68 h ARG 243 Ca -0.16 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.74 1o68 h ARG 243 Cb 1.88 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 31.63 1o68 h ARG 243 CO 0.22 0.79 0.13 0.00 -1.07 0.00 0.00 179.97 180.04 1o68 h ALA 244 N 1.43 0.97 0.12 0.04 0.00 -1.28 -1.44 119.26 119.10 1o68 h ALA 244 Ca 0.36 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1o68 h ALA 244 Cb -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1o68 h ALA 244 CO -0.10 0.65 -0.06 -0.92 0.00 0.00 0.00 179.25 178.83 1o68 h TYR 245 N 1.02 -0.14 -0.59 0.00 3.20 -0.92 0.61 116.97 120.14 1o68 h TYR 245 Ca 0.21 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.14 1o68 h TYR 245 Cb 0.40 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.66 1o68 h TYR 245 CO 0.03 -0.08 0.28 0.28 -1.64 0.00 0.00 178.16 177.03 1o68 h VAL 246 N -0.16 0.89 -0.11 1.81 2.07 -0.97 -0.76 116.25 119.02 1o68 h VAL 246 Ca -0.02 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1o68 h VAL 246 Cb 0.13 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1o68 h VAL 246 CO 0.03 0.09 0.03 0.00 0.02 0.00 0.00 177.57 177.74 1o68 h ALA 247 N 1.35 0.15 0.00 1.67 0.00 -1.01 -1.46 119.26 119.96 1o68 h ALA 247 Ca 0.28 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1o68 h ALA 247 Cb 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1o68 h ALA 247 CO -0.22 -0.24 -0.21 0.93 0.00 0.00 0.00 179.25 179.51 1o68 h GLU 248 N -0.01 0.00 -0.19 0.00 5.08 -0.66 0.44 114.58 119.25 1o68 h GLU 248 Ca 0.04 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1o68 h GLU 248 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1o68 h GLU 248 CO -0.00 0.21 -0.19 0.28 -1.00 0.00 0.00 179.01 178.31 1o68 h VAL 249 N 0.00 1.33 -0.15 3.13 2.07 -0.86 0.09 116.25 121.85 1o68 h VAL 249 Ca -0.00 -1.35 -0.17 0.00 0.82 0.00 0.00 66.70 66.00 1o68 h VAL 249 Cb 0.44 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1o68 h VAL 249 CO 0.03 0.41 -0.62 0.11 0.02 0.00 0.00 177.57 177.52 1o68 h LYS 250 N 0.13 0.53 0.00 1.57 1.57 -0.72 -2.91 116.57 116.74 1o68 h LYS 250 Ca 0.03 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1o68 h LYS 250 Cb 0.73 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1o68 h LYS 250 CO 0.05 0.98 0.00 0.00 -0.57 0.00 0.00 179.45 179.91 1o68 h ALA 251 N 0.93 1.00 -0.09 3.86 0.00 -0.16 -3.45 119.26 121.35 1o68 h ALA 251 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1o68 h ALA 251 Cb 1.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1o68 h ALA 251 CO 0.11 0.00 -0.03 1.63 0.00 0.00 0.00 179.25 180.96 1o68 n LYS 252 N -2.96 -0.17 0.10 0.00 5.02 -0.93 -4.89 118.16 114.33 1o68 n LYS 252 Ca 0.00 0.49 -0.01 0.00 -2.02 0.00 0.00 58.31 56.77 1o68 n LYS 252 Cb 0.27 -4.01 -0.04 0.00 -0.02 0.00 0.00 35.03 31.23 1o68 n LYS 252 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1o68 h THR 253 N 0.00 1.13 -3.71 -0.18 1.35 -1.30 -3.44 112.91 106.76 1o68 h THR 253 Ca -0.04 -2.64 -0.66 0.00 -0.55 0.00 0.00 66.41 62.53 1o68 h THR 253 Cb 0.14 2.54 -0.32 0.00 -1.73 0.00 0.00 68.15 68.78 1o68 h THR 253 CO 0.06 0.65 -0.87 0.12 -0.25 0.00 0.00 175.52 175.22 1o68 s PHE 254 N -2.86 2.31 0.49 4.73 5.36 -0.32 -2.83 117.98 124.86 1o68 s PHE 254 Ca 0.02 -0.80 -0.20 0.00 -0.96 0.00 0.00 56.93 55.00 1o68 s PHE 254 Cb 0.08 -1.54 -0.08 0.00 -0.34 0.00 0.00 43.02 41.15 1o68 s PHE 254 CO 0.78 -0.29 1.04 -1.25 -1.46 0.00 0.00 175.22 174.04 1o68 s PRO 255 N 0.11 3.77 0.33 10.12 0.04 -1.26 -4.36 135.00 143.75 1o68 s PRO 255 Ca -0.10 1.34 -0.03 0.00 0.04 0.00 0.00 61.00 62.25 1o68 s PRO 255 Cb -0.15 -2.09 0.07 0.00 0.04 0.00 0.00 34.50 32.37 1o68 s PRO 255 CO 0.05 -0.45 0.45 0.00 0.04 0.00 0.00 177.00 177.09 1o68 n ALA 256 N -1.04 -0.20 0.19 8.56 0.00 -1.13 -4.64 120.51 122.25 1o68 n ALA 256 Ca 0.09 -0.74 0.04 0.00 0.00 0.00 0.00 53.44 52.83 1o68 n ALA 256 Cb 0.53 0.06 0.39 0.00 0.00 0.00 0.00 19.45 20.42 1o68 n ALA 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o68 h ALA 257 N -1.09 1.30 0.00 0.00 0.00 -1.99 -2.02 119.26 115.46 1o68 h ALA 257 Ca -0.15 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1o68 h ALA 257 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1o68 h ALA 257 CO 0.13 0.45 -0.32 1.05 0.00 0.00 0.00 179.25 180.56 1o68 h GLU 258 N 0.00 0.00 -0.77 0.00 4.11 -1.93 -3.11 114.58 112.88 1o68 h GLU 258 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.33 1o68 h GLU 258 Cb 0.68 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 1o68 h GLU 258 CO 0.05 0.32 0.12 0.72 0.07 0.00 0.00 179.01 180.28 1o68 n HIS 259 N -3.40 1.70 -0.62 2.06 8.25 -0.76 -4.66 115.22 117.79 1o68 n HIS 259 Ca 0.00 -0.76 0.00 0.00 -0.26 0.00 0.00 57.72 56.70 1o68 n HIS 259 Cb 0.51 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1o68 n HIS 259 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09