#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jry n ASP 2 N 0.00 0.71 -3.97 0.00 8.00 -1.26 -4.96 116.55 115.07 1jry n ASP 2 Ca 0.00 0.29 -0.09 0.00 0.71 0.00 0.00 54.79 55.70 1jry n ASP 2 Cb 0.00 0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 41.61 1jry n ASP 2 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1jry s ASN 3 N -5.40 -0.06 0.20 -2.24 2.20 -1.26 -4.72 114.94 103.65 1jry s ASN 3 Ca -0.03 -0.89 -0.11 0.00 -0.94 0.00 0.00 52.86 50.89 1jry s ASN 3 Cb 0.10 0.53 0.16 0.00 -2.00 0.00 0.00 41.25 40.03 1jry s ASN 3 CO 0.81 -1.05 1.85 0.25 -2.94 0.00 0.00 177.10 176.03 1jry h LEU 4 N 2.35 0.71 -0.07 3.54 6.46 -1.69 -1.90 115.31 124.71 1jry h LEU 4 Ca -0.28 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.48 1jry h LEU 4 Cb 1.25 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 41.00 1jry h LEU 4 CO 0.40 0.50 -0.03 0.00 -0.62 0.00 0.00 178.44 178.69 1jry h ALA 5 N 1.27 0.03 -0.58 1.25 0.00 -0.25 -2.33 119.26 118.66 1jry h ALA 5 Ca 0.26 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.27 1jry h ALA 5 Cb -0.02 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1jry h ALA 5 CO -0.09 -0.50 0.24 1.49 0.00 0.00 0.00 179.25 180.40 1jry h GLU 6 N -0.02 0.44 -1.01 0.00 4.81 -1.75 0.84 114.58 117.90 1jry h GLU 6 Ca 0.04 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1jry h GLU 6 Cb 0.08 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 1jry h GLU 6 CO -0.08 0.29 0.65 0.35 -0.73 0.00 0.00 179.01 179.49 1jry h PHE 7 N 0.45 1.22 -0.02 0.92 3.04 -1.12 -2.88 116.94 118.56 1jry h PHE 7 Ca 0.28 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 62.05 1jry h PHE 7 Cb 0.28 -0.40 -0.00 0.00 2.56 0.00 0.00 35.95 38.39 1jry h PHE 7 CO -0.14 0.66 -0.88 0.45 -2.02 0.00 0.00 178.31 176.38 1jry h HIS 8 N 1.22 0.54 0.00 0.41 3.86 -0.71 -3.14 115.15 117.33 1jry h HIS 8 Ca 0.42 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1jry h HIS 8 Cb 0.10 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1jry h HIS 8 CO -0.00 1.08 0.00 1.33 0.86 0.00 0.00 177.93 181.20 1jry n VAL 9 N -3.75 1.31 0.24 2.45 0.24 0.18 -0.95 118.33 118.06 1jry n VAL 9 Ca -0.06 0.39 0.07 0.00 -2.04 0.00 0.00 64.34 62.71 1jry n VAL 9 Cb 0.80 -1.28 0.59 0.00 -1.47 0.00 0.00 33.84 32.48 1jry n VAL 9 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1jry h GLN 10 N 0.00 0.00 0.00 7.34 4.20 -1.52 -3.30 115.11 121.83 1jry h GLN 10 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jry h GLN 10 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1jry h GLN 10 CO 0.00 0.11 0.00 0.09 -0.67 0.00 0.00 178.83 178.36 1jry n ASN 11 N -4.28 0.88 -3.62 1.46 3.02 -0.12 -5.09 115.26 107.51 1jry n ASN 11 Ca -0.03 -1.36 -0.11 0.00 -0.03 0.00 0.00 54.58 53.05 1jry n ASN 11 Cb 0.19 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.31 1jry n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jry s GLN 12 N -0.36 1.05 0.65 3.52 -2.07 -0.67 -5.14 119.66 116.64 1jry s GLN 12 Ca 0.00 -0.57 -0.05 0.00 -1.82 0.00 0.00 55.36 52.92 1jry s GLN 12 Cb 0.00 0.47 0.05 0.00 -1.09 0.00 0.00 33.01 32.44 1jry s GLN 12 CO 0.00 -0.40 0.94 -1.21 -1.32 0.00 0.00 175.29 173.30 1jry s GLU 13 N -3.40 2.38 0.29 9.60 0.41 -1.26 -4.19 118.70 122.52 1jry s GLU 13 Ca 0.00 -0.35 0.04 0.00 -0.41 0.00 0.00 54.97 54.25 1jry s GLU 13 Cb 0.01 -2.26 0.67 0.00 -1.78 0.00 0.00 34.13 30.77 1jry s GLU 13 CO -0.09 -1.04 1.77 0.00 -0.49 0.00 0.00 175.26 175.41 1jry h ASP 15 N 0.70 0.00 0.40 0.00 2.03 -1.93 -2.24 116.42 115.39 1jry h ASP 15 Ca 0.54 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.78 1jry h ASP 15 Cb 0.83 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.32 1jry h ASP 15 CO -0.38 0.00 -0.28 0.77 -1.03 0.00 0.00 179.24 178.32 1jry h SER 16 N 0.00 0.00 0.00 4.15 4.64 -1.38 -3.24 113.55 117.72 1jry h SER 16 Ca 0.10 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 1jry h SER 16 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1jry h SER 16 CO -0.00 0.28 -1.80 0.00 -0.87 0.00 0.00 176.83 174.44 1jry s HIS 18 N -2.98 3.07 0.92 0.00 4.02 -0.96 -4.45 115.29 114.92 1jry s HIS 18 Ca -0.06 -0.13 -0.11 0.00 1.02 0.00 0.00 55.06 55.78 1jry s HIS 18 Cb 0.09 -1.43 0.15 0.00 -1.02 0.00 0.00 32.58 30.38 1jry s HIS 18 CO 0.67 0.50 1.12 0.95 1.02 0.00 0.00 174.74 178.99 1jry s THR 19 N -2.16 2.32 0.24 1.30 -4.23 -1.26 -4.74 115.64 107.11 1jry s THR 19 Ca 0.33 0.10 -0.05 0.00 -1.18 0.00 0.00 61.69 60.90 1jry s THR 19 Cb -0.08 -2.24 0.20 0.00 1.34 0.00 0.00 72.50 71.73 1jry s THR 19 CO 0.25 -0.14 1.78 -0.65 -0.54 0.00 0.00 174.62 175.32 1jry h PRO 20 N -1.83 0.61 0.00 3.99 0.11 -1.93 0.47 132.00 133.43 1jry h PRO 20 Ca -0.46 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 1jry h PRO 20 Cb 1.27 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1jry h PRO 20 CO 0.45 0.40 -0.75 0.22 -0.21 0.00 0.00 178.00 178.12 1jry h ASP 21 N 0.63 0.00 0.00 -2.05 3.58 -2.02 -3.48 116.42 113.08 1jry h ASP 21 Ca 0.40 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.85 1jry h ASP 21 Cb 0.47 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.52 1jry h ASP 21 CO -0.30 0.75 0.00 0.61 -2.88 0.00 0.00 179.24 177.42 1jry n GLY 22 N 0.85 2.66 3.76 -0.78 0.00 0.16 -5.07 105.19 106.75 1jry n GLY 22 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1jry n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jry s GLU 23 N -0.39 3.31 0.20 1.61 1.03 -1.26 -4.60 118.70 118.60 1jry s GLU 23 Ca 0.00 2.14 -0.32 0.00 0.03 0.00 0.00 54.97 56.83 1jry s GLU 23 Cb 0.00 -2.31 -0.11 0.00 -0.80 0.00 0.00 34.13 30.90 1jry s GLU 23 CO 0.00 -1.03 1.65 -0.51 -1.33 0.00 0.00 175.26 174.04 1jry s LEU 24 N -3.36 4.37 0.17 1.83 1.43 -1.26 -4.43 118.68 117.42 1jry s LEU 24 Ca 0.69 2.78 -0.17 0.00 -1.03 0.00 0.00 54.13 56.41 1jry s LEU 24 Cb -0.38 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 42.35 1jry s LEU 24 CO 0.45 -0.91 1.67 0.77 0.23 0.00 0.00 176.35 178.56 1jry h SER 25 N 6.58 -0.36 -2.39 2.29 4.64 -1.94 -3.47 113.55 118.91 1jry h SER 25 Ca -0.43 0.12 0.24 0.00 -0.47 0.00 0.00 61.79 61.25 1jry h SER 25 Cb 1.20 0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 63.50 1jry h SER 25 CO 0.92 -0.13 0.74 -0.46 -0.87 0.00 0.00 176.83 177.03 1jry n ASN 26 N -5.30 -1.52 0.28 4.97 0.23 -1.26 -4.98 115.26 107.67 1jry n ASN 26 Ca 0.03 -1.63 0.18 0.00 -0.53 0.00 0.00 54.58 52.63 1jry n ASN 26 Cb 0.23 2.43 0.87 0.00 -2.08 0.00 0.00 39.78 41.23 1jry n ASN 26 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1jry h ASP 27 N 2.00 0.00 0.87 0.53 3.45 -1.90 -1.01 116.42 120.35 1jry h ASP 27 Ca -0.25 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.21 1jry h ASP 27 Cb 1.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 1jry h ASP 27 CO 0.34 0.00 -0.37 -1.20 -1.57 0.00 0.00 179.24 176.45 1jry n SER 28 N -2.93 0.51 -3.69 6.45 7.64 -1.25 -4.41 113.62 115.94 1jry n SER 28 Ca -0.01 0.15 -0.25 0.00 1.01 0.00 0.00 58.87 59.77 1jry n SER 28 Cb 0.18 -0.08 0.06 0.00 -1.01 0.00 0.00 64.21 63.36 1jry n SER 28 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1jry n LEU 29 N -1.82 -3.18 0.10 -3.43 4.77 -0.38 -4.86 117.00 108.21 1jry n LEU 29 Ca 0.05 -0.64 -0.14 0.00 -0.03 0.00 0.00 56.01 55.25 1jry n LEU 29 Cb 0.39 -2.87 -0.07 0.00 -2.33 0.00 0.00 43.42 38.54 1jry n LEU 29 CO 0.33 0.56 0.60 0.74 -1.33 0.00 0.00 177.39 178.29 1jry h THR 30 N -2.39 0.19 -0.42 -5.08 2.02 -1.92 0.39 112.91 105.69 1jry h THR 30 Ca -0.58 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.65 1jry h THR 30 Cb 1.37 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 1jry h THR 30 CO 0.59 0.00 0.17 0.22 0.37 0.00 0.00 175.52 176.87 1jry h TYR 31 N -0.61 0.31 -0.21 3.16 3.20 -1.95 -0.56 116.97 120.31 1jry h TYR 31 Ca 0.03 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1jry h TYR 31 Cb 0.65 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1jry h TYR 31 CO -0.37 0.13 0.07 0.93 -1.64 0.00 0.00 178.16 177.29 1jry h GLU 32 N 0.35 0.33 -0.95 1.82 3.07 -1.72 -1.51 114.58 115.97 1jry h GLU 32 Ca 0.19 -0.07 0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1jry h GLU 32 Cb 0.16 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 27.97 1jry h GLU 32 CO -0.18 0.41 0.63 -0.91 -1.40 0.00 0.00 179.01 177.56 1jry h ASN 33 N 0.18 1.08 -0.85 1.42 2.35 -0.80 -1.00 115.58 117.96 1jry h ASN 33 Ca 0.07 -0.02 0.07 0.00 -0.55 0.00 0.00 56.30 55.87 1jry h ASN 33 Cb 0.22 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.27 1jry h ASN 33 CO -0.00 0.77 0.55 0.74 -1.65 0.00 0.00 177.43 177.83 1jry h THR 34 N 1.27 1.02 -0.57 2.81 2.02 -0.30 -2.27 112.91 116.90 1jry h THR 34 Ca 0.36 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 67.20 1jry h THR 34 Cb -0.10 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.33 1jry h THR 34 CO -0.09 0.16 0.21 1.56 0.37 0.00 0.00 175.52 177.74 1jry h GLN 35 N 0.90 0.86 -0.50 6.66 1.08 -0.23 0.45 115.11 124.33 1jry h GLN 35 Ca 0.37 -0.16 0.09 0.00 -1.45 0.00 0.00 58.65 57.50 1jry h GLN 35 Cb 0.28 -0.13 -0.07 0.00 -0.05 0.00 0.00 27.48 27.51 1jry h GLN 35 CO -0.14 0.75 0.09 0.00 -0.95 0.00 0.00 178.83 178.58 1jry h VAL 37 N 0.22 1.27 -0.90 0.00 2.07 -1.05 0.33 116.25 118.19 1jry h VAL 37 Ca 0.25 -1.27 0.13 0.00 0.82 0.00 0.00 66.70 66.63 1jry h VAL 37 Cb 0.35 1.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 1jry h VAL 37 CO -0.34 0.40 0.58 0.77 0.02 0.00 0.00 177.57 179.00 1jry h SER 38 N 0.41 0.71 0.04 0.57 4.64 -0.37 0.20 113.55 119.75 1jry h SER 38 Ca 0.06 0.04 -0.38 0.00 -0.47 0.00 0.00 61.79 61.04 1jry h SER 38 Cb 0.67 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.59 1jry h SER 38 CO 0.05 0.37 -2.36 0.00 -0.87 0.00 0.00 176.83 174.02 1jry n HIS 40 N -3.08 0.17 0.00 0.00 8.25 0.08 -5.09 115.22 115.55 1jry n HIS 40 Ca -0.38 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 1jry n HIS 40 Cb 1.06 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.79 1jry n HIS 40 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jry n GLY 41 N 1.36 0.97 3.59 -1.41 0.00 0.69 -4.33 105.19 106.07 1jry n GLY 41 Ca 0.01 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 1jry n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jry s THR 42 N -1.91 1.74 0.27 2.61 -4.23 -1.26 -4.37 115.64 108.50 1jry s THR 42 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1jry s THR 42 Cb 0.00 -2.43 0.27 0.00 1.34 0.00 0.00 72.50 71.68 1jry s THR 42 CO 0.00 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.15 1jry h LEU 43 N -2.43 0.82 -0.92 4.79 5.85 -1.92 0.28 115.31 121.78 1jry h LEU 43 Ca -0.50 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 1jry h LEU 43 Cb 1.31 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1jry h LEU 43 CO 0.43 0.42 -0.30 0.00 -0.34 0.00 0.00 178.44 178.65 1jry h ALA 44 N 1.53 1.08 -0.24 1.25 0.00 -1.91 -0.46 119.26 120.52 1jry h ALA 44 Ca 0.48 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1jry h ALA 44 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1jry h ALA 44 CO -0.28 0.57 -0.08 0.93 0.00 0.00 0.00 179.25 180.39 1jry h GLU 45 N 0.38 0.47 -0.65 0.00 5.08 -1.38 -2.60 114.58 115.89 1jry h GLU 45 Ca 0.05 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1jry h GLU 45 Cb 0.72 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1jry h GLU 45 CO 0.06 0.72 0.28 0.28 -1.00 0.00 0.00 179.01 179.35 1jry h VAL 46 N 0.20 1.22 -0.25 3.13 2.07 -0.87 -1.58 116.25 120.17 1jry h VAL 46 Ca 0.06 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1jry h VAL 46 Cb 0.56 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1jry h VAL 46 CO 0.03 0.27 0.17 0.00 0.02 0.00 0.00 177.57 178.05 1jry h ALA 47 N 1.39 1.89 0.00 1.67 0.00 -0.88 0.37 119.26 123.69 1jry h ALA 47 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1jry h ALA 47 Cb 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jry h ALA 47 CO -0.02 0.09 -0.06 0.93 0.00 0.00 0.00 179.25 180.19 1jry h GLU 48 N 0.28 0.00 -0.02 0.00 4.39 -0.90 -2.42 114.58 115.91 1jry h GLU 48 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1jry h GLU 48 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1jry h GLU 48 CO -0.02 0.06 -0.15 0.25 -1.16 0.00 0.00 179.01 177.99 1jry n THR 49 N -3.85 0.00 -2.35 1.13 -2.24 0.11 -4.38 114.28 102.69 1jry n THR 49 Ca -0.03 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 1jry n THR 49 Cb 0.15 0.98 0.04 0.00 -2.10 0.00 0.00 70.33 69.40 1jry n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jry n THR 50 N 0.38 1.95 -2.85 4.28 -2.24 -0.91 -5.07 114.28 109.81 1jry n THR 50 Ca 0.14 -3.58 -0.40 0.00 -2.27 0.00 0.00 64.05 57.94 1jry n THR 50 Cb 0.46 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.57 1jry n THR 50 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jry s LYS 51 N -3.58 4.68 0.26 -0.78 1.02 -1.23 -4.52 119.74 115.59 1jry s LYS 51 Ca 0.40 1.32 0.10 0.00 0.02 0.00 0.00 55.97 57.82 1jry s LYS 51 Cb 0.37 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 34.33 1jry s LYS 51 CO -0.00 0.43 -0.09 -1.01 -0.92 0.00 0.00 175.35 173.75 1jry s HIS 52 N -0.72 2.53 0.17 3.18 3.76 -0.64 -5.04 115.29 118.51 1jry s HIS 52 Ca 0.40 -0.26 -0.24 0.00 -0.15 0.00 0.00 55.06 54.81 1jry s HIS 52 Cb -0.24 -1.13 0.05 0.00 1.11 0.00 0.00 32.58 32.38 1jry s HIS 52 CO 0.28 0.64 1.59 1.49 -0.85 0.00 0.00 174.74 177.90 1jry h GLU 53 N 2.17 -0.25 -0.13 1.40 4.81 -2.03 -3.26 114.58 117.29 1jry h GLU 53 Ca -0.43 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1jry h GLU 53 Cb 1.25 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1jry h GLU 53 CO 0.59 -0.17 0.00 0.72 -0.73 0.00 0.00 179.01 179.43 1jry n HIS 54 N -5.42 0.26 -3.60 0.92 8.25 -1.26 -5.03 115.22 109.33 1jry n HIS 54 Ca 0.01 -0.64 -0.10 0.00 -0.26 0.00 0.00 57.72 56.73 1jry n HIS 54 Cb 0.35 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 31.34 1jry n HIS 54 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1jry s TYR 55 N -1.60 -0.38 -0.30 4.41 -0.85 -1.23 -4.81 117.35 112.59 1jry s TYR 55 Ca 0.18 0.07 -0.07 0.00 -0.52 0.00 0.00 57.07 56.73 1jry s TYR 55 Cb 0.13 0.60 0.15 0.00 0.38 0.00 0.00 41.96 43.23 1jry s TYR 55 CO 0.06 -1.00 0.66 1.21 -1.52 0.00 0.00 175.55 174.96 1jry s ASN 56 N -2.82 -1.18 0.47 -0.18 3.04 -1.26 -1.63 114.94 111.37 1jry s ASN 56 Ca 0.05 1.28 0.26 0.00 0.04 0.00 0.00 52.86 54.50 1jry s ASN 56 Cb -0.03 2.21 1.31 0.00 -1.54 0.00 0.00 41.25 43.20 1jry s ASN 56 CO -0.05 -0.22 1.80 0.00 -3.04 0.00 0.00 177.10 175.58 1jry h ALA 57 N 7.97 2.62 -0.40 1.71 0.00 -1.97 -1.90 119.26 127.28 1jry h ALA 57 Ca -0.19 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1jry h ALA 57 Cb 1.12 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1jry h ALA 57 CO 0.15 -0.98 0.00 0.72 0.00 0.00 0.00 179.25 179.13 1jry n HIS 58 N -4.43 0.53 -3.36 0.00 8.25 -1.26 -4.71 115.22 110.24 1jry n HIS 58 Ca 0.25 -0.31 -0.22 0.00 -0.26 0.00 0.00 57.72 57.18 1jry n HIS 58 Cb 1.02 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 32.03 1jry n HIS 58 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jry s ALA 59 N -1.28 0.33 0.02 -1.41 0.00 -0.71 -4.56 121.76 114.15 1jry s ALA 59 Ca 0.36 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1jry s ALA 59 Cb 0.20 -1.85 -0.00 0.00 0.00 0.00 0.00 23.12 21.48 1jry s ALA 59 CO 0.28 -2.10 0.00 -1.13 0.00 0.00 0.00 175.76 172.81 1jry n SER 60 N 3.73 1.54 -0.06 0.00 3.41 -1.26 -4.33 113.62 116.65 1jry n SER 60 Ca 0.17 -1.10 0.15 0.00 -0.26 0.00 0.00 58.87 57.82 1jry n SER 60 Cb 0.44 0.03 0.71 0.00 -0.26 0.00 0.00 64.21 65.13 1jry n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jry n HIS 61 N -0.05 0.00 -1.86 7.33 1.44 -1.26 -4.82 115.22 116.00 1jry n HIS 61 Ca -0.01 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 1jry n HIS 61 Cb 0.03 -0.21 -0.02 0.00 0.12 0.00 0.00 29.99 29.91 1jry n HIS 61 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1jry s PHE 62 N -2.47 2.90 0.60 -1.40 0.40 -1.26 -4.84 117.98 111.90 1jry s PHE 62 Ca 0.30 0.75 -0.02 0.00 -0.60 0.00 0.00 56.93 57.37 1jry s PHE 62 Cb 0.20 -3.99 0.04 0.00 0.51 0.00 0.00 43.02 39.78 1jry s PHE 62 CO 0.46 -3.42 0.86 -1.25 0.70 0.00 0.00 175.22 172.57 1jry s PRO 63 N 0.07 2.48 0.58 0.24 0.04 -1.26 -4.92 135.00 132.23 1jry s PRO 63 Ca 0.65 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.16 1jry s PRO 63 Cb -0.46 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1jry s PRO 63 CO 0.41 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 177.00 1jry n GLY 64 N -2.54 -2.14 3.20 0.56 0.00 -1.26 -4.67 105.19 98.33 1jry n GLY 64 Ca 0.07 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 1jry n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jry s GLU 65 N -0.18 2.87 0.01 1.61 2.02 -1.26 -5.06 118.70 118.71 1jry s GLU 65 Ca 0.00 -2.32 -0.30 0.00 0.02 0.00 0.00 54.97 52.37 1jry s GLU 65 Cb 0.00 -4.00 -0.07 0.00 0.10 0.00 0.00 34.13 30.16 1jry s GLU 65 CO 0.00 -1.22 1.73 0.08 0.02 0.00 0.00 175.26 175.88 1jry s VAL 66 N 0.37 3.26 0.48 2.63 1.01 -1.26 -4.98 120.40 121.91 1jry s VAL 66 Ca 0.14 0.46 -0.21 0.00 0.00 0.00 0.00 61.98 62.37 1jry s VAL 66 Cb -0.19 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.82 1jry s VAL 66 CO -0.04 -0.03 1.08 0.00 0.00 0.00 0.00 175.10 176.11 1jry s ALA 67 N 3.67 2.89 0.25 5.51 0.00 -1.26 -4.94 121.76 127.88 1jry s ALA 67 Ca 0.77 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 53.42 1jry s ALA 67 Cb -0.38 -3.30 0.39 0.00 0.00 0.00 0.00 23.12 19.83 1jry s ALA 67 CO 0.33 -0.44 1.86 0.00 0.00 0.00 0.00 175.76 177.51 1jry n THR 69 N -4.59 0.35 -0.25 0.00 -2.24 -1.25 -0.66 114.28 105.63 1jry n THR 69 Ca 0.14 0.09 0.08 0.00 -2.27 0.00 0.00 64.05 62.09 1jry n THR 69 Cb 0.21 -0.83 0.32 0.00 -2.10 0.00 0.00 70.33 67.93 1jry n THR 69 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1jry h SER 70 N 0.00 0.74 0.00 3.42 0.02 -1.46 -3.33 113.55 112.94 1jry h SER 70 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1jry h SER 70 Cb 0.09 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1jry h SER 70 CO 0.00 0.44 -0.94 0.00 -1.14 0.00 0.00 176.83 175.19 1jry s HIS 72 N -1.94 3.22 0.51 0.00 3.76 0.16 -3.96 115.29 117.05 1jry s HIS 72 Ca 0.00 -0.97 -0.08 0.00 -0.15 0.00 0.00 55.06 53.85 1jry s HIS 72 Cb 0.00 -3.36 -0.04 0.00 1.11 0.00 0.00 32.58 30.29 1jry s HIS 72 CO 0.00 -0.88 0.87 -1.12 -0.85 0.00 0.00 174.74 172.76 1jry s SER 73 N 2.85 6.30 -0.21 1.40 0.01 -1.26 -3.87 113.70 118.93 1jry s SER 73 Ca 0.05 1.13 -0.22 0.00 1.31 0.00 0.00 55.95 58.22 1jry s SER 73 Cb -0.25 -2.34 -0.19 0.00 0.21 0.00 0.00 66.02 63.45 1jry s SER 73 CO 0.06 -0.64 0.22 0.00 0.41 0.00 0.00 173.24 173.29 1jry h ALA 74 N 0.23 0.25 -0.72 1.44 0.00 -1.96 -3.40 119.26 115.10 1jry h ALA 74 Ca -0.46 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.27 1jry h ALA 74 Cb 1.20 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1jry h ALA 74 CO 0.62 0.68 0.00 0.72 0.00 0.00 0.00 179.25 181.27 1jry n HIS 75 N -4.44 1.13 -3.77 0.00 8.25 -1.26 0.49 115.22 115.62 1jry n HIS 75 Ca -0.31 -0.52 -0.10 0.00 -0.26 0.00 0.00 57.72 56.53 1jry n HIS 75 Cb 0.67 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.66 1jry n HIS 75 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1jry s GLU 76 N -1.24 1.20 0.66 -0.41 -1.05 -1.26 -4.97 118.70 111.63 1jry s GLU 76 Ca 0.50 -0.90 -0.17 0.00 -0.15 0.00 0.00 54.97 54.26 1jry s GLU 76 Cb 0.28 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.43 1jry s GLU 76 CO 0.31 -0.48 1.20 0.15 0.95 0.00 0.00 175.26 177.39 1jry s LYS 77 N -3.87 2.56 0.21 -4.83 1.02 -1.26 -4.50 119.74 109.06 1jry s LYS 77 Ca 0.09 1.75 0.00 0.00 0.02 0.00 0.00 55.97 57.83 1jry s LYS 77 Cb 0.01 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.39 1jry s LYS 77 CO -0.05 -1.51 0.09 -1.54 -0.92 0.00 0.00 175.35 171.42 1jry s SER 78 N -1.92 0.66 0.16 2.83 1.04 -0.25 -4.84 113.70 111.38 1jry s SER 78 Ca 0.75 -1.34 0.06 0.00 0.48 0.00 0.00 55.95 55.90 1jry s SER 78 Cb -0.29 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 1jry s SER 78 CO 0.40 -0.75 0.06 -0.04 0.98 0.00 0.00 173.24 173.88 1jry s MET 79 N -4.07 2.64 -0.31 4.02 1.00 -1.25 -0.22 119.30 121.10 1jry s MET 79 Ca 0.35 -0.97 -0.21 0.00 0.00 0.00 0.00 55.69 54.86 1jry s MET 79 Cb 0.07 -2.51 -0.01 0.00 0.00 0.00 0.00 34.83 32.39 1jry s MET 79 CO 0.10 0.48 0.65 0.08 0.00 0.00 0.00 175.02 176.33 1jry s VAL 80 N -1.69 4.91 0.34 -6.03 1.01 -1.26 -4.46 120.40 113.23 1jry s VAL 80 Ca 0.29 0.88 0.03 0.00 0.00 0.00 0.00 61.98 63.18 1jry s VAL 80 Cb -0.10 -4.02 0.28 0.00 0.00 0.00 0.00 36.38 32.54 1jry s VAL 80 CO 0.21 -0.17 1.96 0.22 0.00 0.00 0.00 175.10 177.32 1jry h TYR 81 N 8.20 0.87 -0.65 5.22 3.20 -1.92 0.19 116.97 132.07 1jry h TYR 81 Ca -0.26 0.02 0.19 0.00 3.14 0.00 0.00 58.73 61.82 1jry h TYR 81 Cb 1.11 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 1jry h TYR 81 CO 0.76 0.48 0.48 0.00 -1.64 0.00 0.00 178.16 178.24 1jry n ASP 83 N -4.30 0.65 0.09 0.00 10.43 0.65 -1.63 116.55 122.45 1jry n ASP 83 Ca 0.13 0.72 0.11 0.00 2.57 0.00 0.00 54.79 58.32 1jry n ASP 83 Cb 0.73 -0.84 0.44 0.00 1.84 0.00 0.00 41.12 43.30 1jry n ASP 83 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1jry n SER 84 N -2.28 0.50 0.00 -2.24 3.41 -0.18 -4.07 113.62 108.75 1jry n SER 84 Ca 0.00 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1jry n SER 84 Cb 0.14 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 1jry n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jry s HIS 86 N -1.43 2.29 -0.57 0.00 3.76 -0.65 -4.75 115.29 113.93 1jry s HIS 86 Ca 0.00 -0.47 0.05 0.00 -0.15 0.00 0.00 55.06 54.50 1jry s HIS 86 Cb 0.00 -1.19 0.34 0.00 1.11 0.00 0.00 32.58 32.83 1jry s HIS 86 CO 0.00 0.59 0.93 0.43 -0.85 0.00 0.00 174.74 175.84 1jry n SER 87 N -0.69 4.25 -4.77 1.40 7.64 -1.26 -4.03 113.62 116.15 1jry n SER 87 Ca -0.05 -3.64 -0.32 0.00 1.01 0.00 0.00 58.87 55.87 1jry n SER 87 Cb 0.62 -0.57 0.06 0.00 -1.01 0.00 0.00 64.21 63.32 1jry n SER 87 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1jry s PHE 88 N -3.39 2.62 -0.82 1.43 2.99 -1.26 -4.93 117.98 114.63 1jry s PHE 88 Ca 0.48 1.55 -0.24 0.00 0.00 0.00 0.00 56.93 58.72 1jry s PHE 88 Cb 0.28 -3.12 0.05 0.00 0.00 0.00 0.00 43.02 40.24 1jry s PHE 88 CO -0.13 -1.72 1.24 0.34 -0.00 0.00 0.00 175.22 174.95 1jry s ASP 89 N -2.91 6.30 0.20 1.36 2.15 -1.26 -4.98 116.67 117.52 1jry s ASP 89 Ca 0.65 -0.99 0.11 0.00 0.43 0.00 0.00 52.55 52.75 1jry s ASP 89 Cb -0.19 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 39.87 1jry s ASP 89 CO 0.47 -1.59 -0.20 -0.36 -0.17 0.00 0.00 175.17 173.32 1jry s PHE 90 N 4.88 2.38 -0.42 -5.34 2.99 -1.26 -5.07 117.98 116.14 1jry s PHE 90 Ca 0.35 -0.32 0.10 0.00 0.00 0.00 0.00 56.93 57.06 1jry s PHE 90 Cb -0.07 -1.17 0.37 0.00 0.00 0.00 0.00 43.02 42.15 1jry s PHE 90 CO 0.05 0.52 0.84 -1.71 -0.00 0.00 0.00 175.22 174.92 1jry n ASN 91 N 0.15 2.14 -4.73 1.36 4.05 -1.26 -5.09 115.26 111.88 1jry n ASN 91 Ca -0.12 -3.20 -0.42 0.00 0.45 0.00 0.00 54.58 51.30 1jry n ASN 91 Cb 0.56 -0.58 -0.03 0.00 1.23 0.00 0.00 39.78 40.96 1jry n ASN 91 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1jry s MET 92 N -2.87 4.33 0.55 1.20 -2.45 -1.26 -4.95 119.30 113.85 1jry s MET 92 Ca 0.41 2.13 -0.21 0.00 -1.25 0.00 0.00 55.69 56.77 1jry s MET 92 Cb 0.35 -3.20 -0.05 0.00 1.25 0.00 0.00 34.83 33.18 1jry s MET 92 CO -0.09 -0.38 1.22 -2.30 1.05 0.00 0.00 175.02 174.52 1jry n PRO 93 N 3.23 1.44 -3.80 4.11 -0.02 -1.26 -2.94 135.00 135.76 1jry n PRO 93 Ca 0.09 0.53 -0.28 0.00 -2.02 0.00 0.00 63.50 61.83 1jry n PRO 93 Cb 0.42 -2.41 0.04 0.00 -0.02 0.00 0.00 33.50 31.53 1jry n PRO 93 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jry n TYR 94 N -1.17 -2.47 -2.55 6.00 4.01 -1.26 -4.85 117.16 114.86 1jry n TYR 94 Ca 0.11 0.94 -0.30 0.00 -0.16 0.00 0.00 57.90 58.49 1jry n TYR 94 Cb 0.45 -4.35 -0.02 0.00 -0.31 0.00 0.00 39.34 35.11 1jry n TYR 94 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jry s ALA 95 N -3.32 3.25 0.15 -0.72 0.00 -1.15 -1.10 121.76 118.88 1jry s ALA 95 Ca 0.60 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.44 1jry s ALA 95 Cb -0.29 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1jry s ALA 95 CO 0.80 -0.23 -0.04 -1.59 0.00 0.00 0.00 175.76 174.70 1jry s LYS 96 N -4.26 1.05 0.27 0.00 -2.85 0.69 -4.69 119.74 109.94 1jry s LYS 96 Ca 0.53 -1.48 -0.29 0.00 -1.00 0.00 0.00 55.97 53.73 1jry s LYS 96 Cb -0.10 -0.34 -0.09 0.00 -2.06 0.00 0.00 37.83 35.23 1jry s LYS 96 CO 0.37 -0.06 1.25 0.21 0.10 0.00 0.00 175.35 177.23 1jry s LYS 97 N -3.86 4.44 0.26 1.78 2.20 -1.26 -4.35 119.74 118.95 1jry s LYS 97 Ca 0.20 2.05 -0.30 0.00 -0.36 0.00 0.00 55.97 57.55 1jry s LYS 97 Cb 0.05 -3.15 -0.13 0.00 -1.51 0.00 0.00 37.83 33.09 1jry s LYS 97 CO 0.01 -0.11 1.36 1.87 -0.36 0.00 0.00 175.35 178.12 1jry n TRP 98 N 1.60 2.11 -3.57 4.03 -0.00 -1.26 -4.93 117.44 115.42 1jry n TRP 98 Ca 0.02 0.48 -0.00 0.00 -0.00 0.00 0.00 57.50 58.00 1jry n TRP 98 Cb 0.43 -2.43 -0.04 0.00 -0.00 0.00 0.00 31.31 29.27 1jry n TRP 98 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 177.69 176.52 1jry s LEU 99 N -0.08 -1.14 -0.29 5.87 0.20 -1.26 -5.05 118.68 116.93 1jry s LEU 99 Ca 0.65 1.44 -0.14 0.00 0.69 0.00 0.00 54.13 56.77 1jry s LEU 99 Cb -0.64 2.25 -0.03 0.00 -0.43 0.00 0.00 46.19 47.33 1jry s LEU 99 CO 0.53 -0.22 0.33 -0.60 -0.29 0.00 0.00 176.35 176.10 1jry s ARG 100 N 2.87 3.90 -0.38 1.98 6.06 -1.26 -5.00 118.95 127.12 1jry s ARG 100 Ca -0.02 -0.15 0.01 0.00 -2.50 0.00 0.00 55.73 53.07 1jry s ARG 100 Cb -0.12 -3.69 0.14 0.00 0.06 0.00 0.00 34.95 31.34 1jry s ARG 100 CO -0.19 -0.31 0.23 -0.51 -2.50 0.00 0.00 175.30 172.02 1jry s ASP 101 N 1.69 2.97 -0.19 -2.12 -0.00 -1.26 -5.09 116.67 112.67 1jry s ASP 101 Ca 0.12 -2.37 -0.02 0.00 -0.00 0.00 0.00 52.55 50.29 1jry s ASP 101 Cb -0.16 -0.53 -0.00 0.00 -0.00 0.00 0.00 42.92 42.22 1jry s ASP 101 CO 0.11 -0.29 -0.10 -0.70 -0.00 0.00 0.00 175.17 174.19 1jry s GLU 102 N 0.82 3.31 0.57 8.23 2.12 -1.26 -5.10 118.70 127.39 1jry s GLU 102 Ca 0.19 -0.68 -0.21 0.00 0.36 0.00 0.00 54.97 54.64 1jry s GLU 102 Cb -0.21 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 1jry s GLU 102 CO -0.01 -0.08 1.30 -2.30 -0.54 0.00 0.00 175.26 173.63 1jry n PRO 103 N 4.39 1.50 -1.46 4.30 -0.02 -1.26 -4.98 135.00 137.48 1jry n PRO 103 Ca -0.19 0.56 -0.29 0.00 -2.02 0.00 0.00 63.50 61.56 1jry n PRO 103 Cb 0.51 -2.52 0.13 0.00 -0.02 0.00 0.00 33.50 31.60 1jry n PRO 103 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1jry s THR 104 N -1.32 2.46 0.26 3.45 -4.23 -1.26 -4.88 115.64 110.11 1jry s THR 104 Ca 0.74 0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 61.35 1jry s THR 104 Cb -0.41 -2.83 0.26 0.00 1.34 0.00 0.00 72.50 70.86 1jry s THR 104 CO 0.48 -0.19 1.92 0.40 -0.54 0.00 0.00 174.62 176.68 1jry h ILE 105 N -1.41 1.19 -0.65 2.99 1.08 -1.93 -1.64 117.51 117.14 1jry h ILE 105 Ca -0.50 -0.44 -0.02 0.00 -0.39 0.00 0.00 64.86 63.51 1jry h ILE 105 Cb 1.30 -0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 1jry h ILE 105 CO 0.60 0.23 0.33 0.00 -0.69 0.00 0.00 178.15 178.62 1jry h ALA 106 N 1.41 0.83 0.00 1.87 0.00 -1.98 -1.75 119.26 119.65 1jry h ALA 106 Ca 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1jry h ALA 106 Cb -0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1jry h ALA 106 CO -0.11 0.38 -0.11 0.93 0.00 0.00 0.00 179.25 180.34 1jry h GLU 107 N 0.89 0.00 0.00 0.00 5.08 -1.67 -1.17 114.58 117.71 1jry h GLU 107 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1jry h GLU 107 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1jry h GLU 107 CO -0.03 0.11 0.00 1.28 -1.00 0.00 0.00 179.01 179.37 1jry n LEU 108 N -3.35 0.00 0.27 1.33 4.77 -0.66 -2.54 117.00 116.82 1jry n LEU 108 Ca -0.01 0.28 0.15 0.00 -0.03 0.00 0.00 56.01 56.40 1jry n LEU 108 Cb 0.30 -0.28 0.88 0.00 -2.33 0.00 0.00 43.42 41.99 1jry n LEU 108 CO 0.29 -0.13 1.13 0.00 -1.33 0.00 0.00 177.39 177.35 1jry h ALA 109 N 2.76 1.63 0.00 -1.18 0.00 -1.25 -1.04 119.26 120.18 1jry h ALA 109 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jry h ALA 109 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1jry h ALA 109 CO 0.00 -0.08 0.00 1.57 0.00 0.00 0.00 179.25 180.74 1jry h LYS 110 N 0.00 0.00 -1.30 0.00 2.10 -1.72 -2.99 116.57 112.66 1jry h LYS 110 Ca 0.02 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.37 1jry h LYS 110 Cb 0.14 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.32 1jry h LYS 110 CO -0.00 0.00 0.40 -0.25 -2.00 0.00 0.00 179.45 177.60 1jry n ASP 111 N -2.75 5.28 -0.30 7.07 10.43 -0.40 -4.64 116.55 131.24 1jry n ASP 111 Ca -0.00 -2.98 0.07 0.00 2.57 0.00 0.00 54.79 54.44 1jry n ASP 111 Cb 0.19 -0.90 0.28 0.00 1.84 0.00 0.00 41.12 42.52 1jry n ASP 111 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1jry h LYS 112 N 1.10 0.90 0.00 -1.24 6.56 -1.74 0.43 116.57 122.59 1jry h LYS 112 Ca 0.31 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.85 1jry h LYS 112 Cb 1.31 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 1jry h LYS 112 CO 0.70 0.60 0.00 -1.13 -2.06 0.00 0.00 179.45 177.56 1jry n SER 113 N -4.54 0.00 0.00 0.86 3.41 -1.26 -1.28 113.62 110.81 1jry n SER 113 Ca 0.16 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 1jry n SER 113 Cb 0.30 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1jry n SER 113 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jry n GLU 114 N -1.05 1.34 -0.03 4.33 4.71 -0.88 -4.71 120.64 124.35 1jry n GLU 114 Ca 0.14 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.15 1jry n GLU 114 Cb 0.09 -0.63 -0.10 0.00 -1.01 0.00 0.00 31.44 29.80 1jry n GLU 114 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jry h ARG 115 N 0.00 0.28 -0.35 3.49 3.08 -0.90 0.09 114.38 120.06 1jry h ARG 115 Ca 0.00 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 59.85 1jry h ARG 115 Cb 0.23 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1jry h ARG 115 CO 0.00 0.87 0.19 1.96 -1.07 0.00 0.00 179.97 181.92 1jry h GLN 116 N -0.24 0.39 -0.48 0.04 4.20 -1.42 -0.02 115.11 117.58 1jry h GLN 116 Ca -0.02 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1jry h GLN 116 Cb 0.91 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1jry h GLN 116 CO 0.05 0.25 -0.05 0.00 -0.67 0.00 0.00 178.83 178.42 1jry h ALA 117 N 1.17 1.01 -0.41 3.87 0.00 -1.79 0.04 119.26 123.14 1jry h ALA 117 Ca 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1jry h ALA 117 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1jry h ALA 117 CO -0.08 0.60 0.20 0.00 0.00 0.00 0.00 179.25 179.98 1jry h ALA 118 N 1.18 0.53 0.00 0.00 0.00 -0.24 -2.60 119.26 118.12 1jry h ALA 118 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1jry h ALA 118 Cb 0.53 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1jry h ALA 118 CO 0.03 0.08 -0.15 -0.07 0.00 0.00 0.00 179.25 179.13 1jry h LEU 119 N 0.52 0.00 -0.07 0.00 3.38 -0.52 -1.93 115.31 116.69 1jry h LEU 119 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1jry h LEU 119 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1jry h LEU 119 CO -0.02 0.15 -0.21 0.00 0.09 0.00 0.00 178.44 178.46 1jry n ALA 120 N -2.19 2.88 -1.94 1.53 0.00 -0.05 -4.85 120.51 115.90 1jry n ALA 120 Ca 0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 53.44 52.95 1jry n ALA 120 Cb 0.39 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.61 1jry n ALA 120 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1jry s SER 121 N -2.84 4.67 0.75 0.00 0.01 -0.73 -5.05 113.70 110.51 1jry s SER 121 Ca 0.17 0.30 -0.13 0.00 1.31 0.00 0.00 55.95 57.60 1jry s SER 121 Cb 0.19 -0.89 0.05 0.00 0.21 0.00 0.00 66.02 65.58 1jry s SER 121 CO 0.57 -1.68 1.16 0.00 0.41 0.00 0.00 173.24 173.71 1jry s ALA 122 N -3.24 2.09 0.48 1.44 0.00 -1.26 -4.94 121.76 116.33 1jry s ALA 122 Ca 0.62 0.68 -0.23 0.00 0.00 0.00 0.00 51.96 53.03 1jry s ALA 122 Cb -0.10 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 1jry s ALA 122 CO 0.45 -1.89 1.21 -1.25 0.00 0.00 0.00 175.76 174.27 1jry s PRO 123 N -4.21 3.61 0.28 0.00 0.04 -1.26 -4.78 135.00 128.68 1jry s PRO 123 Ca 0.70 1.87 0.11 0.00 0.04 0.00 0.00 61.00 63.72 1jry s PRO 123 Cb -0.24 -2.36 0.40 0.00 0.04 0.00 0.00 34.50 32.33 1jry s PRO 123 CO 0.48 -0.70 1.63 1.25 0.04 0.00 0.00 177.00 179.71 1jry h HIS 124 N 1.90 0.00 -3.75 0.56 2.76 -0.99 -3.45 115.15 112.17 1jry h HIS 124 Ca -0.50 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 57.56 1jry h HIS 124 Cb 1.26 0.00 -0.17 0.00 1.55 0.00 0.00 27.41 30.05 1jry h HIS 124 CO 0.52 0.59 -0.47 -0.51 -1.30 0.00 0.00 177.93 176.76 1jry s ASP 125 N -6.84 0.14 -0.18 3.26 1.01 -1.25 -5.07 116.67 107.74 1jry s ASP 125 Ca -0.01 -0.53 -0.01 0.00 0.71 0.00 0.00 52.55 52.72 1jry s ASP 125 Cb 0.13 0.26 0.05 0.00 1.01 0.00 0.00 42.92 44.37 1jry s ASP 125 CO 0.76 -0.56 -0.04 -0.89 0.21 0.00 0.00 175.17 174.64 1jry s THR 126 N -2.87 1.11 0.34 -1.27 2.01 -1.26 -1.34 115.64 112.36 1jry s THR 126 Ca -0.03 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.30 1jry s THR 126 Cb 0.00 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 1jry s THR 126 CO -0.06 0.03 0.26 1.33 -0.69 0.00 0.00 174.62 175.48 1jry n VAL 127 N 4.86 0.00 0.02 3.82 0.24 -0.26 -4.99 118.33 122.02 1jry n VAL 127 Ca -0.11 -2.41 -0.22 0.00 -2.04 0.00 0.00 64.34 59.55 1jry n VAL 127 Cb 0.47 1.14 -0.14 0.00 -1.47 0.00 0.00 33.84 33.84 1jry n VAL 127 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1jry h ASP 128 N 1.96 0.46 -3.65 -1.34 3.32 -1.44 -3.34 116.42 112.39 1jry h ASP 128 Ca -0.25 -0.92 -0.22 0.00 0.02 0.00 0.00 57.03 55.67 1jry h ASP 128 Cb 1.20 -0.15 -0.29 0.00 0.22 0.00 0.00 39.33 40.31 1jry h ASP 128 CO 0.37 1.79 -0.59 -0.69 -1.72 0.00 0.00 179.24 178.40 1jry s VAL 129 N -2.55 -0.02 -0.15 -1.35 1.01 -0.76 -1.97 120.40 114.62 1jry s VAL 129 Ca -0.20 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1jry s VAL 129 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 1jry s VAL 129 CO 0.79 0.03 -0.08 -0.69 0.00 0.00 0.00 175.10 175.14 1jry s VAL 130 N 0.46 3.47 -0.19 2.92 1.01 -0.49 -1.72 120.40 125.87 1jry s VAL 130 Ca -0.03 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1jry s VAL 130 Cb -0.05 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1jry s VAL 130 CO -0.02 0.51 0.02 -0.69 0.00 0.00 0.00 175.10 174.92 1jry s VAL 131 N 0.40 4.34 -0.34 2.92 1.01 0.87 -1.11 120.40 128.48 1jry s VAL 131 Ca -0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 1jry s VAL 131 Cb -0.15 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.30 1jry s VAL 131 CO 0.04 0.45 0.16 -0.69 0.00 0.00 0.00 175.10 175.06 1jry s VAL 132 N 0.62 4.36 0.00 2.92 1.01 0.19 -0.70 120.40 128.80 1jry s VAL 132 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1jry s VAL 132 Cb -0.14 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1jry s VAL 132 CO 0.02 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1jry n GLY 133 N 4.94 3.70 2.26 4.51 0.00 0.13 -0.86 105.19 119.87 1jry n GLY 133 Ca -0.13 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 1jry n GLY 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jry n SER 134 N 0.00 6.69 -1.97 1.61 3.41 -1.25 -3.82 113.62 118.29 1jry n SER 134 Ca 0.00 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.85 1jry n SER 134 Cb 0.00 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 1jry n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jry n GLY 135 N -0.95 0.15 0.23 5.00 0.00 -1.26 -0.43 105.19 107.93 1jry n GLY 135 Ca 0.60 -1.77 -0.03 0.00 0.00 0.00 0.00 46.02 44.82 1jry n GLY 135 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jry h GLY 136 N 0.00 0.46 0.88 -0.02 0.00 -1.92 -1.60 103.07 100.87 1jry h GLY 136 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 1jry h GLY 136 CO 0.00 0.35 -0.48 0.00 0.00 0.00 0.00 176.54 176.41 1jry h ALA 137 N 1.32 0.22 -0.24 3.60 0.00 -1.88 -2.21 119.26 120.06 1jry h ALA 137 Ca 0.05 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 1jry h ALA 137 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1jry h ALA 137 CO 0.05 0.38 -0.48 0.78 0.00 0.00 0.00 179.25 179.99 1jry h GLY 138 N 0.15 0.82 1.15 0.00 0.00 -1.63 -0.90 103.07 102.65 1jry h GLY 138 Ca -0.03 -0.97 -0.06 0.00 0.00 0.00 0.00 47.33 46.27 1jry h GLY 138 CO 0.10 0.87 0.18 0.74 0.00 0.00 0.00 176.54 178.43 1jry h PHE 139 N 0.48 1.09 -0.44 5.60 0.04 -1.37 -0.77 116.94 121.57 1jry h PHE 139 Ca 0.01 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 1jry h PHE 139 Cb 1.08 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.90 1jry h PHE 139 CO 0.08 0.89 0.22 0.77 -0.60 0.00 0.00 178.31 179.67 1jry h SER 140 N 1.01 0.58 -0.58 2.17 0.02 -1.16 -0.88 113.55 114.70 1jry h SER 140 Ca 0.22 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 1jry h SER 140 Cb 0.33 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1jry h SER 140 CO -0.00 0.54 -0.04 0.00 -1.14 0.00 0.00 176.83 176.19 1jry h ALA 141 N 1.06 0.78 -0.16 3.77 0.00 -1.01 -0.68 119.26 123.03 1jry h ALA 141 Ca 0.15 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jry h ALA 141 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1jry h ALA 141 CO -0.02 0.65 0.09 0.00 0.00 0.00 0.00 179.25 179.97 1jry h ALA 142 N 0.96 0.20 0.47 0.00 0.00 -0.92 -0.46 119.26 119.52 1jry h ALA 142 Ca 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1jry h ALA 142 Cb 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jry h ALA 142 CO 0.04 -0.27 -0.23 0.82 0.00 0.00 0.00 179.25 179.60 1jry h ILE 143 N 0.16 0.52 -0.51 0.00 2.04 -1.06 -1.53 117.51 117.13 1jry h ILE 143 Ca 0.06 -0.18 0.10 0.00 1.00 0.00 0.00 64.86 65.84 1jry h ILE 143 Cb 0.05 0.60 -0.10 0.00 -0.74 0.00 0.00 36.82 36.64 1jry h ILE 143 CO -0.01 0.03 -0.17 -1.28 0.00 0.00 0.00 178.15 176.73 1jry h SER 144 N -0.75 -0.60 -0.62 1.72 0.87 -1.11 -0.55 113.55 112.53 1jry h SER 144 Ca -0.07 0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.58 1jry h SER 144 Cb 0.54 0.36 -0.02 0.00 -0.44 0.00 0.00 62.40 62.84 1jry h SER 144 CO 0.11 -0.20 0.07 0.00 -0.53 0.00 0.00 176.83 176.28 1jry h ALA 145 N 1.41 0.82 -0.78 6.23 0.00 -1.08 -1.73 119.26 124.13 1jry h ALA 145 Ca 0.25 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1jry h ALA 145 Cb 0.42 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1jry h ALA 145 CO -0.55 0.61 0.38 1.15 0.00 0.00 0.00 179.25 180.83 1jry h THR 146 N 0.95 1.25 0.00 0.00 2.02 -0.63 -0.21 112.91 116.29 1jry h THR 146 Ca 0.18 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1jry h THR 146 Cb 0.47 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1jry h THR 146 CO 0.02 0.30 0.00 0.47 0.37 0.00 0.00 175.52 176.67 1jry n ASP 147 N -4.37 0.05 -0.91 4.18 8.00 -0.27 -1.04 116.55 122.20 1jry n ASP 147 Ca 0.07 0.51 0.11 0.00 0.71 0.00 0.00 54.79 56.18 1jry n ASP 147 Cb 0.14 -0.52 0.27 0.00 -0.02 0.00 0.00 41.12 40.99 1jry n ASP 147 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1jry n SER 148 N -1.55 2.69 0.00 -2.24 7.64 -0.67 -4.95 113.62 114.55 1jry n SER 148 Ca 0.05 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 58.03 1jry n SER 148 Cb 0.27 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1jry n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jry n GLY 149 N 1.34 0.75 3.89 0.23 0.00 -0.20 -4.89 105.19 106.30 1jry n GLY 149 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1jry n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jry s ALA 150 N -2.46 3.61 -0.32 4.61 0.00 -0.16 -5.00 121.76 122.05 1jry s ALA 150 Ca 0.00 -0.46 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 1jry s ALA 150 Cb 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.77 1jry s ALA 150 CO 0.00 0.36 0.40 0.21 0.00 0.00 0.00 175.76 176.73 1jry s LYS 151 N -3.25 3.71 0.03 0.00 2.47 -1.26 -3.99 119.74 117.45 1jry s LYS 151 Ca 0.45 -0.21 0.05 0.00 -1.56 0.00 0.00 55.97 54.70 1jry s LYS 151 Cb -0.11 -3.76 -0.03 0.00 -1.46 0.00 0.00 37.83 32.47 1jry s LYS 151 CO 0.27 -0.48 -0.12 0.08 0.16 0.00 0.00 175.35 175.26 1jry s VAL 152 N 2.13 3.25 -0.12 4.02 1.01 -1.26 -1.23 120.40 128.21 1jry s VAL 152 Ca 0.15 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1jry s VAL 152 Cb -0.16 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1jry s VAL 152 CO 0.12 0.34 -0.22 -0.63 0.00 0.00 0.00 175.10 174.71 1jry s ILE 153 N -0.99 2.23 -0.21 2.22 1.01 -0.70 -4.12 121.20 120.64 1jry s ILE 153 Ca 0.17 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 1jry s ILE 153 Cb -0.11 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1jry s ILE 153 CO 0.07 0.55 -0.06 -0.22 0.00 0.00 0.00 174.94 175.28 1jry s LEU 154 N 0.49 2.82 0.18 2.97 2.96 -0.12 -0.09 118.68 127.89 1jry s LEU 154 Ca -0.14 -0.41 0.10 0.00 -0.22 0.00 0.00 54.13 53.46 1jry s LEU 154 Cb -0.17 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1jry s LEU 154 CO 0.05 -0.01 -0.14 0.27 -1.32 0.00 0.00 176.35 175.21 1jry s ILE 155 N 1.39 2.92 -0.06 6.68 -4.36 0.13 -0.71 121.20 127.19 1jry s ILE 155 Ca 0.05 -1.77 -0.02 0.00 -0.26 0.00 0.00 60.65 58.65 1jry s ILE 155 Cb -0.14 -2.43 0.04 0.00 1.25 0.00 0.00 42.46 41.17 1jry s ILE 155 CO -0.04 -0.11 0.12 -0.70 0.24 0.00 0.00 174.94 174.45 1jry s GLU 156 N -2.76 0.02 0.24 0.37 2.56 -0.30 0.18 118.70 119.01 1jry s GLU 156 Ca 0.23 0.40 0.06 0.00 0.00 0.00 0.00 54.97 55.67 1jry s GLU 156 Cb -0.09 -0.28 0.26 0.00 2.00 0.00 0.00 34.13 36.03 1jry s GLU 156 CO 0.13 -0.24 1.56 1.57 -0.56 0.00 0.00 175.26 177.73 1jry h LYS 157 N 7.80 0.16 -7.49 4.30 2.10 -1.80 0.18 116.57 121.83 1jry h LYS 157 Ca -0.29 -0.12 -0.46 0.00 -2.00 0.00 0.00 60.65 57.78 1jry h LYS 157 Cb 1.13 0.02 0.13 0.00 -0.90 0.00 0.00 32.23 32.60 1jry h LYS 157 CO 0.30 0.74 0.30 -1.21 -2.00 0.00 0.00 179.45 177.58 1jry s GLU 158 N -3.67 1.22 0.09 0.07 0.41 -1.26 -3.90 118.70 111.65 1jry s GLU 158 Ca -0.03 0.30 0.27 0.00 -0.41 0.00 0.00 54.97 55.11 1jry s GLU 158 Cb 0.12 -1.85 0.96 0.00 -1.78 0.00 0.00 34.13 31.58 1jry s GLU 158 CO 0.79 -2.15 1.79 -0.35 -0.49 0.00 0.00 175.26 174.85 1jry n PRO 159 N -3.73 0.12 -4.31 0.39 -0.04 -1.26 -2.08 135.00 124.09 1jry n PRO 159 Ca 0.07 0.09 -0.23 0.00 -0.04 0.00 0.00 63.50 63.38 1jry n PRO 159 Cb 0.59 -1.63 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 1jry n PRO 159 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1jry s VAL 160 N -3.05 1.79 0.79 0.52 -7.23 -1.26 -4.60 120.40 107.36 1jry s VAL 160 Ca 0.12 -1.74 -0.10 0.00 -1.81 0.00 0.00 61.98 58.45 1jry s VAL 160 Cb 0.16 -1.72 0.09 0.00 0.56 0.00 0.00 36.38 35.47 1jry s VAL 160 CO 0.58 -0.18 1.13 0.27 -0.31 0.00 0.00 175.10 176.59 1jry s ILE 161 N -1.60 2.11 0.00 -0.62 -4.36 -1.26 -4.66 121.20 110.80 1jry s ILE 161 Ca 0.11 -0.12 0.00 0.00 -0.26 0.00 0.00 60.65 60.38 1jry s ILE 161 Cb -0.08 -2.98 0.00 0.00 1.25 0.00 0.00 42.46 40.65 1jry s ILE 161 CO 0.06 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.85 1jry n GLY 162 N -3.22 0.91 7.00 6.27 0.00 0.43 -4.90 105.19 111.69 1jry n GLY 162 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1jry n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jry n GLY 163 N -2.00 2.76 0.08 -0.02 0.00 -1.26 -0.90 105.19 103.85 1jry n GLY 163 Ca 0.00 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.77 1jry n GLY 163 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jry h ASN 164 N 9.16 0.00 -0.39 1.61 2.35 -1.96 -3.36 115.58 123.00 1jry h ASN 164 Ca 0.00 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1jry h ASN 164 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1jry h ASN 164 CO 0.00 0.08 0.19 0.00 -1.65 0.00 0.00 177.43 176.04 1jry h ALA 165 N 2.41 1.52 0.00 -0.83 0.00 -1.41 -0.70 119.26 120.25 1jry h ALA 165 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jry h ALA 165 Cb 0.80 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1jry h ALA 165 CO 0.00 0.38 0.00 0.36 0.00 0.00 0.00 179.25 179.99 1jry n LYS 166 N -4.38 0.01 0.00 0.00 2.85 -0.61 -1.95 118.16 114.07 1jry n LYS 166 Ca 0.03 0.23 0.12 0.00 -1.05 0.00 0.00 58.31 57.64 1jry n LYS 166 Cb 0.14 -1.50 0.24 0.00 -0.65 0.00 0.00 35.03 33.25 1jry n LYS 166 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1jry n LEU 167 N -1.49 0.95 -4.76 -5.58 4.77 -0.27 -2.32 117.00 108.30 1jry n LEU 167 Ca 0.04 -0.25 -0.39 0.00 -0.03 0.00 0.00 56.01 55.38 1jry n LEU 167 Cb 0.18 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1jry n LEU 167 CO 0.14 0.20 0.95 0.00 -1.33 0.00 0.00 177.39 177.35 1jry s ALA 168 N -2.73 3.05 0.03 -1.18 0.00 -0.82 -4.86 121.76 115.25 1jry s ALA 168 Ca 0.17 1.23 -0.00 0.00 0.00 0.00 0.00 51.96 53.36 1jry s ALA 168 Cb 0.18 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 1jry s ALA 168 CO 0.63 -1.02 -0.01 0.00 0.00 0.00 0.00 175.76 175.36 1jry n ALA 169 N -0.43 2.87 -0.30 0.00 0.00 -1.26 -0.46 120.51 120.91 1jry n ALA 169 Ca 0.07 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1jry n ALA 169 Cb 0.45 0.09 0.29 0.00 0.00 0.00 0.00 19.45 20.28 1jry n ALA 169 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jry h GLY 170 N -0.02 1.51 0.00 0.00 0.00 -1.93 -1.56 103.07 101.07 1jry h GLY 170 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1jry h GLY 170 CO 0.00 -0.22 0.00 0.61 0.00 0.00 0.00 176.54 176.93 1jry n GLY 171 N -1.33 0.72 3.14 4.60 0.00 -1.26 -4.66 105.19 106.39 1jry n GLY 171 Ca 0.21 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 1jry n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jry s MET 172 N -1.36 2.37 0.32 1.61 1.75 0.12 -4.17 119.30 119.94 1jry s MET 172 Ca 0.00 -1.30 -0.29 0.00 -1.25 0.00 0.00 55.69 52.86 1jry s MET 172 Cb 0.00 -3.10 -0.10 0.00 2.84 0.00 0.00 34.83 34.47 1jry s MET 172 CO 0.00 -0.61 1.27 -0.80 -0.65 0.00 0.00 175.02 174.23 1jry s ASN 173 N 1.21 6.85 0.01 1.11 0.01 0.64 -1.02 114.94 123.76 1jry s ASN 173 Ca -0.06 2.62 -0.28 0.00 -0.71 0.00 0.00 52.86 54.43 1jry s ASN 173 Cb -0.20 -2.65 0.09 0.00 0.41 0.00 0.00 41.25 38.91 1jry s ASN 173 CO -0.02 -0.47 0.80 0.00 -1.51 0.00 0.00 177.10 175.90 1jry s ALA 174 N -1.14 -1.78 0.28 0.60 0.00 -0.77 -4.62 121.76 114.33 1jry s ALA 174 Ca 0.48 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.46 1jry s ALA 174 Cb -0.38 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1jry s ALA 174 CO 0.51 -0.61 0.28 0.00 0.00 0.00 0.00 175.76 175.94 1jry s ALA 175 N -2.74 1.26 -0.86 0.00 0.00 -1.26 -4.63 121.76 113.53 1jry s ALA 175 Ca 0.01 -1.75 -0.25 0.00 0.00 0.00 0.00 51.96 49.97 1jry s ALA 175 Cb -0.01 1.36 -0.02 0.00 0.00 0.00 0.00 23.12 24.45 1jry s ALA 175 CO -0.06 -0.68 1.79 -0.46 0.00 0.00 0.00 175.76 176.35 1jry s TRP 176 N -3.66 1.95 0.73 0.00 -0.00 -1.26 -4.09 118.94 112.61 1jry s TRP 176 Ca 0.37 0.32 -0.12 0.00 -0.00 0.00 0.00 56.10 56.68 1jry s TRP 176 Cb 0.03 -4.22 0.03 0.00 -0.00 0.00 0.00 33.47 29.31 1jry s TRP 176 CO 0.20 -1.90 1.12 0.95 -0.00 0.00 0.00 176.95 177.31 1jry s THR 177 N 8.63 3.17 0.29 5.86 -4.23 -1.26 -4.96 115.64 123.13 1jry s THR 177 Ca 0.63 0.38 -0.00 0.00 -1.18 0.00 0.00 61.69 61.51 1jry s THR 177 Cb -0.06 -3.37 0.15 0.00 1.34 0.00 0.00 72.50 70.55 1jry s THR 177 CO 0.02 -0.49 1.83 0.44 -0.54 0.00 0.00 174.62 175.87 1jry h ASP 178 N -0.74 0.72 -0.57 3.99 3.45 -1.98 -2.02 116.42 119.26 1jry h ASP 178 Ca -0.45 -0.14 0.01 0.00 0.43 0.00 0.00 57.03 56.89 1jry h ASP 178 Cb 1.27 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 39.82 1jry h ASP 178 CO 0.64 0.73 0.37 1.56 -1.57 0.00 0.00 179.24 180.97 1jry h GLN 179 N 0.74 0.73 0.21 3.56 7.50 -1.93 0.23 115.11 126.15 1jry h GLN 179 Ca 0.16 -0.04 -0.00 0.00 0.50 0.00 0.00 58.65 59.26 1jry h GLN 179 Cb 0.32 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.68 1jry h GLN 179 CO 0.00 0.48 -0.16 1.96 -1.50 0.00 0.00 178.83 179.61 1jry h GLN 180 N 0.75 -0.36 -0.81 1.46 4.20 -1.79 -2.63 115.11 115.92 1jry h GLN 180 Ca 0.22 0.02 0.06 0.00 0.06 0.00 0.00 58.65 59.01 1jry h GLN 180 Cb -0.05 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 1jry h GLN 180 CO -0.06 -0.24 0.53 0.87 -0.67 0.00 0.00 178.83 179.25 1jry h LYS 181 N -0.38 0.87 -0.03 1.46 1.57 -1.10 0.95 116.57 119.91 1jry h LYS 181 Ca -0.01 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1jry h LYS 181 Cb 0.34 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1jry h LYS 181 CO -0.01 0.57 -0.17 0.00 -0.57 0.00 0.00 179.45 179.27 1jry h ALA 182 N 1.56 1.66 -0.30 3.86 0.00 -0.78 -0.13 119.26 125.14 1jry h ALA 182 Ca 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jry h ALA 182 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1jry h ALA 182 CO -0.12 0.25 0.00 1.63 0.00 0.00 0.00 179.25 181.01 1jry n LYS 183 N -4.31 1.83 -2.33 0.00 4.76 0.24 -4.91 118.16 113.45 1jry n LYS 183 Ca -0.02 -1.28 -0.07 0.00 -2.87 0.00 0.00 58.31 54.07 1jry n LYS 183 Cb 0.25 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 1jry n LYS 183 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1jry n LYS 184 N 0.52 -1.12 -4.32 1.97 5.02 -0.06 -5.00 118.16 115.17 1jry n LYS 184 Ca 0.14 0.33 -0.35 0.00 -2.02 0.00 0.00 58.31 56.41 1jry n LYS 184 Cb 0.33 -4.09 -0.10 0.00 -0.02 0.00 0.00 35.03 31.16 1jry n LYS 184 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jry s ILE 185 N -2.55 4.34 -0.20 -0.18 1.01 -0.70 -5.00 121.20 117.91 1jry s ILE 185 Ca 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 1jry s ILE 185 Cb -0.02 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 1jry s ILE 185 CO 0.06 0.57 -0.05 -0.89 0.00 0.00 0.00 174.94 174.64 1jry s THR 186 N -0.56 3.41 0.27 2.92 2.01 -1.26 -3.88 115.64 118.55 1jry s THR 186 Ca 0.10 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.62 1jry s THR 186 Cb -0.12 -2.53 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 1jry s THR 186 CO 0.02 0.44 0.32 -0.67 -0.69 0.00 0.00 174.62 174.04 1jry n ASP 187 N 4.50 -0.86 -3.54 3.53 -0.08 -1.26 -4.93 116.55 113.91 1jry n ASP 187 Ca -0.18 -2.63 -0.17 0.00 -1.51 0.00 0.00 54.79 50.30 1jry n ASP 187 Cb 0.51 1.74 -0.06 0.00 2.34 0.00 0.00 41.12 45.65 1jry n ASP 187 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1jry s SER 188 N -2.80 -0.60 0.31 1.67 1.04 -1.26 -4.57 113.70 107.49 1jry s SER 188 Ca 0.27 0.59 0.04 0.00 0.48 0.00 0.00 55.95 57.33 1jry s SER 188 Cb 0.00 0.52 0.64 0.00 0.10 0.00 0.00 66.02 67.28 1jry s SER 188 CO 0.19 -0.63 1.87 -0.65 0.98 0.00 0.00 173.24 175.00 1jry h PRO 189 N 3.00 0.87 -0.74 4.02 0.11 -1.87 -0.91 132.00 136.47 1jry h PRO 189 Ca -0.28 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.79 1jry h PRO 189 Cb 1.16 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 1jry h PRO 189 CO 0.39 0.58 0.49 0.93 -0.21 0.00 0.00 178.00 180.17 1jry h GLU 190 N 0.90 0.95 -0.28 1.05 3.07 -1.94 0.82 114.58 119.14 1jry h GLU 190 Ca 0.45 -0.06 -0.17 0.00 -0.50 0.00 0.00 59.36 59.09 1jry h GLU 190 Cb 0.50 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1jry h GLU 190 CO -0.22 0.63 -0.50 1.25 -1.40 0.00 0.00 179.01 178.78 1jry h LEU 191 N 0.98 0.86 -0.41 1.33 5.85 -1.61 -1.09 115.31 121.22 1jry h LEU 191 Ca 0.28 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1jry h LEU 191 Cb -0.07 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 1jry h LEU 191 CO -0.08 1.20 0.27 -0.03 -0.34 0.00 0.00 178.44 179.47 1jry h MET 192 N 0.62 0.53 -0.41 1.25 4.05 -0.88 0.12 114.93 120.21 1jry h MET 192 Ca 0.03 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1jry h MET 192 Cb 1.07 -0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 31.71 1jry h MET 192 CO 0.11 0.35 0.13 0.35 0.23 0.00 0.00 176.91 178.08 1jry h PHE 193 N 0.55 0.23 -0.45 1.39 3.04 -0.61 -1.90 116.94 119.19 1jry h PHE 193 Ca 0.15 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.07 1jry h PHE 193 Cb -0.06 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 1jry h PHE 193 CO -0.05 0.08 0.05 1.49 -2.02 0.00 0.00 178.31 177.86 1jry h GLU 194 N 0.28 0.76 -0.79 1.11 4.81 -0.96 0.14 114.58 119.92 1jry h GLU 194 Ca 0.19 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1jry h GLU 194 Cb 0.19 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1jry h GLU 194 CO -0.21 0.79 0.52 -0.44 -0.73 0.00 0.00 179.01 178.94 1jry h ASP 195 N 0.61 0.88 -0.14 1.04 3.45 -0.82 -1.02 116.42 120.42 1jry h ASP 195 Ca 0.13 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.52 1jry h ASP 195 Cb 0.41 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 38.97 1jry h ASP 195 CO 0.01 0.63 -0.14 0.74 -1.57 0.00 0.00 179.24 178.91 1jry h THR 196 N 1.04 1.35 0.11 0.35 2.02 -1.08 0.22 112.91 116.92 1jry h THR 196 Ca 0.30 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1jry h THR 196 Cb -0.08 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1jry h THR 196 CO -0.08 0.38 -0.10 0.24 0.37 0.00 0.00 175.52 176.34 1jry h MET 197 N -0.03 -0.21 -0.85 6.66 2.86 -0.56 -1.09 114.93 121.72 1jry h MET 197 Ca 0.02 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1jry h MET 197 Cb 0.67 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.33 1jry h MET 197 CO 0.03 -0.14 0.56 -0.22 1.06 0.00 0.00 176.91 178.20 1jry h LYS 198 N -0.22 1.10 0.00 1.72 3.64 -1.12 0.21 116.57 121.89 1jry h LYS 198 Ca 0.00 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1jry h LYS 198 Cb 0.21 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1jry h LYS 198 CO -0.02 0.73 -0.21 0.78 -2.27 0.00 0.00 179.45 178.46 1jry h GLY 199 N 1.13 0.00 -2.84 5.01 0.00 -0.07 -1.89 103.07 104.41 1jry h GLY 199 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1jry h GLY 199 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.07 1jry n GLY 200 N -0.28 2.47 2.65 4.60 0.00 -0.46 -4.21 105.19 109.97 1jry n GLY 200 Ca -0.01 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 1jry n GLY 200 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jry n GLN 201 N 0.71 -3.00 -1.87 1.61 6.02 -0.71 -1.83 117.38 118.31 1jry n GLN 201 Ca 0.22 0.97 -0.19 0.00 -0.01 0.00 0.00 57.00 57.99 1jry n GLN 201 Cb 0.88 -5.72 -0.05 0.00 1.02 0.00 0.00 30.24 26.37 1jry n GLN 201 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1jry n ASN 202 N -2.22 -5.11 0.05 1.08 3.02 0.69 -4.83 115.26 107.94 1jry n ASN 202 Ca -0.19 0.30 0.03 0.00 -0.03 0.00 0.00 54.58 54.69 1jry n ASN 202 Cb 0.66 -4.45 -0.06 0.00 -0.61 0.00 0.00 39.78 35.33 1jry n ASN 202 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1jry n ILE 203 N -2.85 1.02 -1.64 2.41 2.08 -0.99 -4.96 119.36 114.44 1jry n ILE 203 Ca -0.20 -0.65 -0.41 0.00 0.56 0.00 0.00 62.75 62.05 1jry n ILE 203 Cb 0.64 -0.62 0.01 0.00 -0.75 0.00 0.00 39.64 38.91 1jry n ILE 203 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1jry n ASN 204 N -2.83 1.60 -4.64 4.38 5.03 -1.26 -4.76 115.26 112.78 1jry n ASN 204 Ca -0.07 1.05 -0.43 0.00 0.87 0.00 0.00 54.58 56.01 1jry n ASN 204 Cb 0.75 -1.39 -0.02 0.00 -1.02 0.00 0.00 39.78 38.09 1jry n ASN 204 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1jry s ASP 205 N -0.70 6.58 0.37 6.41 3.68 0.28 -4.90 116.67 128.40 1jry s ASP 205 Ca 0.63 1.75 0.06 0.00 2.13 0.00 0.00 52.55 57.12 1jry s ASP 205 Cb -0.54 -2.53 0.73 0.00 -1.45 0.00 0.00 42.92 39.13 1jry s ASP 205 CO 0.57 -1.07 1.95 -0.65 0.13 0.00 0.00 175.17 176.10 1jry h PRO 206 N 9.83 0.47 -0.56 4.34 0.11 -1.91 -1.11 132.00 143.17 1jry h PRO 206 Ca -0.33 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 1jry h PRO 206 Cb 1.14 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1jry h PRO 206 CO 0.99 0.45 0.20 0.00 -0.21 0.00 0.00 178.00 179.42 1jry h ALA 207 N 1.62 0.73 -0.43 -0.75 0.00 -1.96 0.11 119.26 118.58 1jry h ALA 207 Ca 0.11 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1jry h ALA 207 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1jry h ALA 207 CO -0.00 0.37 -0.19 -0.07 0.00 0.00 0.00 179.25 179.36 1jry h LEU 208 N 0.78 0.84 -0.95 0.00 4.07 -1.67 -2.18 115.31 116.20 1jry h LEU 208 Ca 0.18 -0.29 -0.08 0.00 0.08 0.00 0.00 57.88 57.77 1jry h LEU 208 Cb 0.24 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 1jry h LEU 208 CO -0.01 1.01 -0.08 0.58 -1.08 0.00 0.00 178.44 178.86 1jry h VAL 209 N 0.73 1.24 -0.65 1.22 2.07 -1.05 -1.01 116.25 118.80 1jry h VAL 209 Ca 0.11 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.60 1jry h VAL 209 Cb 0.71 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1jry h VAL 209 CO 0.05 0.36 0.39 0.50 0.02 0.00 0.00 177.57 178.89 1jry h LYS 210 N 0.62 0.73 0.17 1.57 1.63 -0.61 0.15 116.57 120.83 1jry h LYS 210 Ca 0.11 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1jry h LYS 210 Cb 0.51 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1jry h LYS 210 CO 0.03 0.48 -0.13 0.28 -3.45 0.00 0.00 179.45 176.66 1jry h VAL 211 N 0.75 0.71 -0.27 2.00 2.07 -0.96 0.14 116.25 120.69 1jry h VAL 211 Ca 0.27 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.85 1jry h VAL 211 Cb 0.06 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 1jry h VAL 211 CO -0.12 0.00 -0.28 0.25 0.02 0.00 0.00 177.57 177.43 1jry h LEU 212 N -0.31 -0.91 -0.13 2.57 5.85 -0.33 0.27 115.31 122.33 1jry h LEU 212 Ca -0.01 0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.73 1jry h LEU 212 Cb 0.28 0.42 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1jry h LEU 212 CO -0.01 -0.31 -0.47 0.77 -0.34 0.00 0.00 178.44 178.08 1jry h SER 213 N -0.28 0.63 0.19 1.25 4.64 -0.67 -2.23 113.55 117.09 1jry h SER 213 Ca 0.14 -0.61 -0.14 0.00 -0.47 0.00 0.00 61.79 60.71 1jry h SER 213 Cb 0.50 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1jry h SER 213 CO -0.43 1.14 -0.52 0.77 -0.87 0.00 0.00 176.83 176.92 1jry h SER 214 N 0.16 0.40 0.99 4.97 4.64 -0.58 -2.63 113.55 121.50 1jry h SER 214 Ca -0.02 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1jry h SER 214 Cb 1.10 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1jry h SER 214 CO 0.10 0.84 -0.19 1.41 -0.87 0.00 0.00 176.83 178.13 1jry n HIS 215 N -3.95 0.30 -0.36 4.77 8.25 0.07 -4.52 115.22 119.79 1jry n HIS 215 Ca -0.02 0.09 -0.03 0.00 -0.26 0.00 0.00 57.72 57.50 1jry n HIS 215 Cb 0.57 -0.58 0.10 0.00 1.12 0.00 0.00 29.99 31.20 1jry n HIS 215 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1jry h SER 216 N 0.00 1.13 -0.34 0.41 4.64 -1.01 -1.08 113.55 117.30 1jry h SER 216 Ca 0.00 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1jry h SER 216 Cb 0.59 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1jry h SER 216 CO 0.00 0.85 0.15 0.50 -0.87 0.00 0.00 176.83 177.46 1jry h LYS 217 N 1.31 0.50 -0.63 4.77 3.64 -1.78 -2.23 116.57 122.14 1jry h LYS 217 Ca 0.34 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1jry h LYS 217 Cb -0.09 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 1jry h LYS 217 CO -0.07 0.48 0.42 -0.44 -2.27 0.00 0.00 179.45 177.57 1jry h ASP 218 N 0.41 0.70 -0.58 4.20 3.32 -1.76 0.11 116.42 122.82 1jry h ASP 218 Ca 0.11 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 1jry h ASP 218 Cb 0.16 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1jry h ASP 218 CO -0.01 0.50 -0.02 0.28 -1.72 0.00 0.00 179.24 178.27 1jry h SER 219 N 0.83 1.03 -0.72 6.45 0.02 -0.98 0.11 113.55 120.28 1jry h SER 219 Ca 0.24 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 1jry h SER 219 Cb -0.06 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.18 1jry h SER 219 CO -0.06 1.09 0.24 0.58 -1.14 0.00 0.00 176.83 177.54 1jry h VAL 220 N 0.95 1.26 -0.75 2.27 2.07 -0.72 -1.46 116.25 119.86 1jry h VAL 220 Ca 0.17 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1jry h VAL 220 Cb 0.58 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1jry h VAL 220 CO 0.03 0.34 0.34 0.44 0.02 0.00 0.00 177.57 178.75 1jry h ASP 221 N 1.07 1.01 0.34 0.57 3.32 -0.53 0.51 116.42 122.71 1jry h ASP 221 Ca 0.24 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1jry h ASP 221 Cb 0.28 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1jry h ASP 221 CO -0.01 0.88 -0.16 -0.25 -1.72 0.00 0.00 179.24 177.97 1jry h TRP 222 N 1.07 -0.43 -0.37 4.55 7.01 -0.51 0.35 115.95 127.62 1jry h TRP 222 Ca 0.26 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.27 1jry h TRP 222 Cb 0.15 0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 1jry h TRP 222 CO 0.01 -0.23 0.21 0.52 -2.79 0.00 0.00 178.44 176.16 1jry h MET 223 N -0.51 0.41 -0.35 2.65 2.86 -1.13 -1.83 114.93 117.04 1jry h MET 223 Ca -0.05 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1jry h MET 223 Cb 0.38 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1jry h MET 223 CO 0.08 0.27 0.22 1.15 1.06 0.00 0.00 176.91 179.69 1jry h THR 224 N 0.43 1.10 -0.68 2.22 2.02 -0.78 0.98 112.91 118.20 1jry h THR 224 Ca 0.15 -0.21 0.08 0.00 0.77 0.00 0.00 66.41 67.20 1jry h THR 224 Cb 0.02 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 1jry h THR 224 CO -0.08 0.10 0.45 0.00 0.37 0.00 0.00 175.52 176.36 1jry h ALA 225 N 1.11 1.83 0.00 6.16 0.00 -0.07 -0.42 119.26 127.86 1jry h ALA 225 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jry h ALA 225 Cb -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1jry h ALA 225 CO -0.03 0.05 0.00 -1.33 0.00 0.00 0.00 179.25 177.94 1jry n MET 226 N -4.48 0.23 0.00 0.00 2.81 -0.48 -4.86 117.12 110.34 1jry n MET 226 Ca 0.10 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1jry n MET 226 Cb 0.29 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1jry n MET 226 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jry n GLY 227 N 1.14 0.23 3.81 3.03 0.00 -0.17 -4.89 105.19 108.34 1jry n GLY 227 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1jry n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jry s ALA 228 N -1.02 2.88 -0.40 4.61 0.00 0.22 -4.96 121.76 123.09 1jry s ALA 228 Ca 0.00 0.45 -0.05 0.00 0.00 0.00 0.00 51.96 52.36 1jry s ALA 228 Cb 0.00 -3.21 0.09 0.00 0.00 0.00 0.00 23.12 20.00 1jry s ALA 228 CO 0.00 -0.40 0.20 0.34 0.00 0.00 0.00 175.76 175.90 1jry s ASP 229 N -2.42 5.36 -0.27 0.00 2.15 -1.26 -4.27 116.67 115.96 1jry s ASP 229 Ca 0.64 -1.72 0.13 0.00 0.43 0.00 0.00 52.55 52.03 1jry s ASP 229 Cb -0.14 -1.88 0.47 0.00 -0.30 0.00 0.00 42.92 41.07 1jry s ASP 229 CO 0.26 -0.51 1.17 0.18 -0.17 0.00 0.00 175.17 176.10 1jry n LEU 230 N 4.73 3.69 0.05 -1.34 4.77 -1.26 -2.63 117.00 125.02 1jry n LEU 230 Ca -0.07 -4.11 0.12 0.00 -0.03 0.00 0.00 56.01 51.92 1jry n LEU 230 Cb 0.42 -0.10 0.17 0.00 -2.33 0.00 0.00 43.42 41.59 1jry n LEU 230 CO 0.35 1.70 0.34 0.35 -1.33 0.00 0.00 177.39 178.80 1jry n THR 231 N -0.67 0.30 -2.90 -5.08 -2.24 -1.13 -4.12 114.28 98.45 1jry n THR 231 Ca 0.30 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 1jry n THR 231 Cb 0.91 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 69.03 1jry n THR 231 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jry s ASP 232 N -4.05 7.02 -0.22 3.42 2.15 0.08 -4.90 116.67 120.17 1jry s ASP 232 Ca 0.07 1.25 0.01 0.00 0.43 0.00 0.00 52.55 54.30 1jry s ASP 232 Cb 0.14 -2.46 0.05 0.00 -0.30 0.00 0.00 42.92 40.35 1jry s ASP 232 CO 0.72 -0.32 -0.07 -0.69 -0.17 0.00 0.00 175.17 174.64 1jry s VAL 233 N 1.69 1.60 0.40 1.11 1.01 -1.26 -0.48 120.40 124.47 1jry s VAL 233 Ca 0.40 -1.17 0.07 0.00 0.00 0.00 0.00 61.98 61.29 1jry s VAL 233 Cb -0.17 -1.79 -0.07 0.00 0.00 0.00 0.00 36.38 34.34 1jry s VAL 233 CO 0.16 -0.00 0.03 -0.83 0.00 0.00 0.00 175.10 174.45 1jry s GLY 234 N 1.38 2.45 0.08 4.51 0.00 0.73 -4.81 107.32 111.66 1jry s GLY 234 Ca -0.04 -2.25 -0.15 0.00 0.00 0.00 0.00 44.72 42.27 1jry s GLY 234 CO -0.07 -2.06 0.49 -0.29 0.00 0.00 0.00 173.10 171.17 1jry s MET 235 N -3.73 3.98 0.33 2.90 -2.45 -1.26 -1.04 119.30 118.03 1jry s MET 235 Ca 0.36 0.48 0.03 0.00 -1.25 0.00 0.00 55.69 55.31 1jry s MET 235 Cb 0.08 -3.10 -0.04 0.00 1.25 0.00 0.00 34.83 33.02 1jry s MET 235 CO 0.19 0.59 0.11 -1.64 1.05 0.00 0.00 175.02 175.32 1jry s MET 236 N -1.50 1.67 0.36 4.11 -1.94 -1.26 -4.23 119.30 116.52 1jry s MET 236 Ca 0.31 -1.96 -0.27 0.00 -1.71 0.00 0.00 55.69 52.06 1jry s MET 236 Cb -0.16 -0.50 -0.09 0.00 2.01 0.00 0.00 34.83 36.08 1jry s MET 236 CO 0.17 -0.35 1.16 0.20 -0.01 0.00 0.00 175.02 176.19 1jry s GLY 237 N -3.46 2.92 -0.58 -0.03 0.00 -1.26 -3.41 107.32 101.50 1jry s GLY 237 Ca 0.33 0.97 0.00 0.00 0.00 0.00 0.00 44.72 46.02 1jry s GLY 237 CO 0.15 1.52 0.00 0.61 0.00 0.00 0.00 173.10 175.38 1jry n GLY 238 N 0.76 0.80 3.56 0.20 0.00 0.01 -4.19 105.19 106.32 1jry n GLY 238 Ca 0.02 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 1jry n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jry s ALA 239 N -2.18 2.91 0.07 4.61 0.00 -1.22 -4.81 121.76 121.14 1jry s ALA 239 Ca 0.00 -1.08 0.12 0.00 0.00 0.00 0.00 51.96 51.00 1jry s ALA 239 Cb 0.00 -1.01 0.15 0.00 0.00 0.00 0.00 23.12 22.26 1jry s ALA 239 CO 0.00 0.61 1.48 0.77 0.00 0.00 0.00 175.76 178.61 1jry h SER 240 N 4.46 0.00 -5.59 0.00 0.02 -1.92 -3.47 113.55 107.06 1jry h SER 240 Ca -0.48 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.19 1jry h SER 240 Cb 1.16 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.59 1jry h SER 240 CO 0.52 0.66 -0.38 0.68 -1.14 0.00 0.00 176.83 177.17 1jry s VAL 241 N -3.12 0.00 -0.01 2.27 -7.23 -1.26 -5.08 120.40 105.97 1jry s VAL 241 Ca 0.01 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 1jry s VAL 241 Cb 0.10 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 1jry s VAL 241 CO 0.76 0.00 1.39 0.20 -0.31 0.00 0.00 175.10 177.14 1jry s ASN 242 N -3.21 6.86 0.00 4.85 -0.87 -1.26 -4.81 114.94 116.50 1jry s ASN 242 Ca 0.34 2.09 0.00 0.00 -1.57 0.00 0.00 52.86 53.72 1jry s ASN 242 Cb 0.02 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.70 1jry s ASN 242 CO 0.18 -0.72 0.43 -2.11 -2.57 0.00 0.00 177.10 172.31 1jry n ARG 243 N 5.42 0.00 -3.06 -0.60 1.85 -0.83 -4.81 116.66 114.63 1jry n ARG 243 Ca 0.13 -0.41 -0.43 0.00 -1.00 0.00 0.00 57.85 56.14 1jry n ARG 243 Cb 0.44 -0.36 -0.06 0.00 -1.05 0.00 0.00 32.46 31.42 1jry n ARG 243 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1jry s ALA 244 N 0.00 3.32 0.21 2.89 0.00 -0.20 -1.85 121.76 126.13 1jry s ALA 244 Ca 0.00 -1.27 -0.18 0.00 0.00 0.00 0.00 51.96 50.51 1jry s ALA 244 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 1jry s ALA 244 CO 0.00 -1.91 0.68 -1.01 0.00 0.00 0.00 175.76 173.51 1jry s HIS 245 N 2.99 3.62 0.20 0.00 3.76 -0.19 -0.19 115.29 125.48 1jry s HIS 245 Ca 0.23 1.29 -0.23 0.00 -0.15 0.00 0.00 55.06 56.20 1jry s HIS 245 Cb -0.14 -2.55 0.06 0.00 1.11 0.00 0.00 32.58 31.06 1jry s HIS 245 CO 0.18 0.35 0.95 -0.98 -0.85 0.00 0.00 174.74 174.39 1jry s ARG 246 N -2.04 1.38 0.71 1.40 1.70 0.36 -0.71 118.95 121.77 1jry s ARG 246 Ca 0.42 -0.82 -0.15 0.00 -0.47 0.00 0.00 55.73 54.71 1jry s ARG 246 Cb -0.16 0.43 0.03 0.00 -0.57 0.00 0.00 34.95 34.69 1jry s ARG 246 CO 0.20 -0.64 1.18 -2.14 -1.08 0.00 0.00 175.30 172.82 1jry s PRO 247 N -2.89 2.29 0.04 3.89 0.02 -1.08 -0.74 135.00 136.53 1jry s PRO 247 Ca 0.15 1.65 -0.38 0.00 0.02 0.00 0.00 61.00 62.45 1jry s PRO 247 Cb -0.02 -1.86 -0.19 0.00 0.02 0.00 0.00 34.50 32.44 1jry s PRO 247 CO 0.04 -1.69 1.02 2.41 -0.33 0.00 0.00 177.00 178.45 1jry n THR 248 N -2.67 0.29 -0.80 0.99 -1.04 -1.26 -1.49 114.28 108.30 1jry n THR 248 Ca 0.13 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1jry n THR 248 Cb 0.51 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1jry n THR 248 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jry n GLY 249 N 1.66 0.83 1.23 3.41 0.00 -1.26 -4.05 105.19 107.01 1jry n GLY 249 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1jry n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jry n GLY 250 N -2.19 0.91 3.89 -0.02 0.00 -0.56 -0.82 105.19 106.41 1jry n GLY 250 Ca 0.00 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 1jry n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jry s ALA 251 N -2.35 2.67 0.16 4.61 0.00 -1.07 -2.41 121.76 123.37 1jry s ALA 251 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 1jry s ALA 251 Cb 0.00 -2.97 -0.08 0.00 0.00 0.00 0.00 23.12 20.07 1jry s ALA 251 CO 0.00 -1.60 1.32 0.20 0.00 0.00 0.00 175.76 175.68 1jry s GLY 252 N -4.53 2.31 0.34 0.00 0.00 -1.26 -4.00 107.32 100.18 1jry s GLY 252 Ca 0.61 1.08 0.10 0.00 0.00 0.00 0.00 44.72 46.51 1jry s GLY 252 CO 0.50 2.14 1.78 -0.24 0.00 0.00 0.00 173.10 177.28 1jry h VAL 253 N 3.98 1.28 0.70 1.40 3.04 -1.28 -3.37 116.25 122.00 1jry h VAL 253 Ca -0.44 -1.36 -0.03 0.00 -1.01 0.00 0.00 66.70 63.86 1jry h VAL 253 Cb 1.21 1.66 0.01 0.00 -2.01 0.00 0.00 31.29 32.16 1jry h VAL 253 CO 0.80 0.40 -0.34 1.23 -1.01 0.00 0.00 177.57 178.65 1jry h GLY 254 N 1.16 -0.99 1.01 3.17 0.00 -0.97 0.10 103.07 106.55 1jry h GLY 254 Ca 0.01 0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 1jry h GLY 254 CO 0.05 -0.36 0.37 0.00 0.00 0.00 0.00 176.54 176.60 1jry h ALA 255 N -1.13 0.90 0.09 3.60 0.00 -1.63 -1.39 119.26 119.69 1jry h ALA 255 Ca -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1jry h ALA 255 Cb 0.74 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1jry h ALA 255 CO 0.16 0.43 -0.10 1.25 0.00 0.00 0.00 179.25 180.99 1jry h HIS 256 N 0.96 -0.25 -0.77 0.00 6.17 -1.71 0.54 115.15 120.10 1jry h HIS 256 Ca 0.24 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.30 1jry h HIS 256 Cb 0.07 0.10 -0.04 0.00 2.52 0.00 0.00 27.41 30.06 1jry h HIS 256 CO -0.00 -0.15 0.39 0.28 0.71 0.00 0.00 177.93 179.16 1jry h VAL 257 N -0.21 1.24 -0.60 5.26 2.07 -0.76 0.35 116.25 123.60 1jry h VAL 257 Ca 0.01 -0.64 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 1jry h VAL 257 Cb 0.21 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1jry h VAL 257 CO -0.03 0.28 -0.02 0.58 0.02 0.00 0.00 177.57 178.40 1jry h VAL 258 N 1.08 1.27 -0.34 2.57 2.07 -1.12 -0.37 116.25 121.41 1jry h VAL 258 Ca 0.27 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1jry h VAL 258 Cb 0.08 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1jry h VAL 258 CO -0.04 0.42 0.21 -0.61 0.02 0.00 0.00 177.57 177.58 1jry h GLN 259 N 0.97 0.42 -0.57 1.57 5.75 -0.53 0.11 115.11 122.83 1jry h GLN 259 Ca 0.17 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1jry h GLN 259 Cb 0.58 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1jry h GLN 259 CO 0.03 0.28 0.38 0.28 -2.65 0.00 0.00 178.83 177.15 1jry h VAL 260 N 0.44 1.14 -0.32 2.39 2.07 -0.69 -0.10 116.25 121.18 1jry h VAL 260 Ca 0.13 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1jry h VAL 260 Cb -0.03 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1jry h VAL 260 CO -0.04 0.14 0.11 -0.07 0.02 0.00 0.00 177.57 177.73 1jry h LEU 261 N 0.76 0.45 -0.29 2.57 3.38 -0.57 -1.15 115.31 120.45 1jry h LEU 261 Ca 0.21 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1jry h LEU 261 Cb -0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1jry h LEU 261 CO -0.05 0.51 0.09 0.22 0.09 0.00 0.00 178.44 179.30 1jry h TYR 262 N 0.36 0.15 -0.86 1.13 3.20 -0.61 0.20 116.97 120.55 1jry h TYR 262 Ca 0.10 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1jry h TYR 262 Cb 0.21 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 1jry h TYR 262 CO 0.00 0.06 0.48 -0.44 -1.64 0.00 0.00 178.16 176.62 1jry h ASP 263 N 0.21 1.07 -0.48 -2.11 3.45 -0.81 0.10 116.42 117.85 1jry h ASP 263 Ca 0.13 -0.10 -0.09 0.00 0.43 0.00 0.00 57.03 57.40 1jry h ASP 263 Cb 0.12 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.59 1jry h ASP 263 CO -0.15 0.86 -0.04 0.78 -1.57 0.00 0.00 179.24 179.12 1jry h ASN 264 N 1.20 0.91 -0.45 6.45 2.35 -0.53 0.14 115.58 125.65 1jry h ASN 264 Ca 0.30 -0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1jry h ASN 264 Cb 0.02 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1jry h ASN 264 CO -0.05 0.99 0.14 0.00 -1.65 0.00 0.00 177.43 176.86 1jry h ALA 265 N 1.10 0.59 -0.49 -0.83 0.00 0.03 -2.46 119.26 117.20 1jry h ALA 265 Ca 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jry h ALA 265 Cb 0.56 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1jry h ALA 265 CO 0.03 0.25 0.26 0.28 0.00 0.00 0.00 179.25 180.07 1jry h VAL 266 N 0.60 1.18 0.00 0.00 2.07 -0.66 -1.10 116.25 118.33 1jry h VAL 266 Ca 0.15 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1jry h VAL 266 Cb 0.27 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1jry h VAL 266 CO -0.00 0.19 -0.20 0.50 0.02 0.00 0.00 177.57 178.08 1jry h LYS 267 N 0.64 0.00 -0.34 1.57 3.64 -0.89 0.89 116.57 122.08 1jry h LYS 267 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1jry h LYS 267 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1jry h LYS 267 CO -0.03 0.20 0.00 0.54 -2.27 0.00 0.00 179.45 177.89 1jry n ARG 268 N -4.19 1.78 -2.70 1.90 1.74 -0.93 -4.94 116.66 109.32 1jry n ARG 268 Ca -0.02 -1.21 -0.20 0.00 -0.77 0.00 0.00 57.85 55.65 1jry n ARG 268 Cb 0.27 -1.26 0.01 0.00 -1.02 0.00 0.00 32.46 30.45 1jry n ARG 268 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1jry n ASN 269 N 0.49 -5.36 -4.71 0.55 4.13 0.31 -4.91 115.26 105.75 1jry n ASN 269 Ca 0.11 -0.10 -0.42 0.00 1.68 0.00 0.00 54.58 55.85 1jry n ASN 269 Cb 0.28 -4.42 -0.03 0.00 -1.54 0.00 0.00 39.78 34.07 1jry n ASN 269 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1jry s ILE 270 N -2.99 3.06 -0.50 2.41 1.01 -0.46 -4.91 121.20 118.82 1jry s ILE 270 Ca 0.14 0.72 -0.27 0.00 0.00 0.00 0.00 60.65 61.23 1jry s ILE 270 Cb -0.06 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 1jry s ILE 270 CO 0.17 0.04 1.83 -0.62 0.00 0.00 0.00 174.94 176.36 1jry s ASP 271 N 1.35 5.52 -0.22 3.58 -1.08 -1.26 -4.83 116.67 119.74 1jry s ASP 271 Ca 0.68 0.74 -0.04 0.00 -0.52 0.00 0.00 52.55 53.41 1jry s ASP 271 Cb -0.39 -2.53 -0.01 0.00 -1.46 0.00 0.00 42.92 38.53 1jry s ASP 271 CO 0.30 -2.10 -0.05 -0.22 0.52 0.00 0.00 175.17 173.62 1jry s LEU 272 N 8.19 2.86 -0.24 -1.34 2.96 -1.26 -0.94 118.68 128.91 1jry s LEU 272 Ca 0.72 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1jry s LEU 272 Cb -0.16 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 44.84 1jry s LEU 272 CO 0.26 -0.01 -0.12 -0.13 -1.32 0.00 0.00 176.35 175.03 1jry s ARG 273 N 1.42 2.60 0.77 1.98 0.52 0.11 -4.98 118.95 121.37 1jry s ARG 273 Ca 0.05 -1.11 -0.12 0.00 -0.52 0.00 0.00 55.73 54.03 1jry s ARG 273 Cb -0.14 -2.83 0.05 0.00 0.52 0.00 0.00 34.95 32.55 1jry s ARG 273 CO -0.03 -0.43 1.12 -1.64 0.02 0.00 0.00 175.30 174.33 1jry s MET 274 N 1.21 2.33 -1.58 3.54 -1.94 -1.26 -1.16 119.30 120.45 1jry s MET 274 Ca -0.03 0.43 -0.12 0.00 -1.71 0.00 0.00 55.69 54.26 1jry s MET 274 Cb -0.17 -1.96 0.10 0.00 2.01 0.00 0.00 34.83 34.80 1jry s MET 274 CO -0.07 -1.40 0.74 0.09 -0.01 0.00 0.00 175.02 174.37 1jry n ASN 275 N -3.24 -2.84 -3.74 3.03 3.02 -0.24 -3.87 115.26 107.38 1jry n ASN 275 Ca 0.07 -0.95 -0.28 0.00 -0.03 0.00 0.00 54.58 53.39 1jry n ASN 275 Cb 0.58 -3.13 -0.16 0.00 -0.61 0.00 0.00 39.78 36.46 1jry n ASN 275 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1jry s THR 276 N -3.47 0.63 -0.18 3.41 2.01 0.46 -1.32 115.64 117.17 1jry s THR 276 Ca 0.52 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.63 1jry s THR 276 Cb -0.27 -1.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 1jry s THR 276 CO 0.89 -0.30 0.27 -0.60 -0.69 0.00 0.00 174.62 174.19 1jry s ARG 277 N 1.79 4.22 0.11 4.92 3.52 -0.28 -2.63 118.95 130.61 1jry s ARG 277 Ca 0.01 0.02 -0.31 0.00 -0.13 0.00 0.00 55.73 55.32 1jry s ARG 277 Cb -0.17 -3.45 -0.07 0.00 -1.56 0.00 0.00 34.95 29.70 1jry s ARG 277 CO -0.12 0.19 1.26 0.20 -0.81 0.00 0.00 175.30 176.02 1jry s GLY 278 N 0.60 2.36 -0.01 8.12 0.00 -1.26 -0.24 107.32 116.88 1jry s GLY 278 Ca 0.15 0.96 -0.00 0.00 0.00 0.00 0.00 44.72 45.83 1jry s GLY 278 CO 0.03 2.08 -0.01 1.39 0.00 0.00 0.00 173.10 176.59 1jry n ILE 279 N 3.52 0.07 -3.68 0.90 2.08 0.59 -4.91 119.36 117.94 1jry n ILE 279 Ca 0.08 -0.03 -0.11 0.00 0.56 0.00 0.00 62.75 63.26 1jry n ILE 279 Cb 0.45 -0.77 -0.11 0.00 -0.75 0.00 0.00 39.64 38.45 1jry n ILE 279 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1jry s GLU 280 N -2.03 0.26 0.12 0.38 2.12 -0.94 -4.77 118.70 113.85 1jry s GLU 280 Ca -0.02 0.82 -0.30 0.00 0.36 0.00 0.00 54.97 55.83 1jry s GLU 280 Cb 0.01 0.07 -0.07 0.00 0.26 0.00 0.00 34.13 34.40 1jry s GLU 280 CO 0.03 -0.23 1.25 0.08 -0.54 0.00 0.00 175.26 175.84 1jry s VAL 281 N 2.10 3.69 -0.13 3.70 1.01 -1.26 -1.13 120.40 128.39 1jry s VAL 281 Ca -0.03 1.28 -0.07 0.00 0.00 0.00 0.00 61.98 63.16 1jry s VAL 281 Cb -0.11 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1jry s VAL 281 CO -0.11 0.14 0.13 -0.76 0.00 0.00 0.00 175.10 174.50 1jry s LEU 282 N 0.62 4.32 0.13 3.92 1.43 0.28 -4.88 118.68 124.49 1jry s LEU 282 Ca 0.58 0.42 0.09 0.00 -1.03 0.00 0.00 54.13 54.19 1jry s LEU 282 Cb -0.32 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1jry s LEU 282 CO 0.32 0.38 -0.21 -0.54 0.23 0.00 0.00 176.35 176.53 1jry s LYS 283 N -0.88 1.23 0.00 1.70 1.02 -1.26 -0.34 119.74 121.22 1jry s LYS 283 Ca 0.14 -1.27 0.00 0.00 0.02 0.00 0.00 55.97 54.86 1jry s LYS 283 Cb -0.12 -1.49 0.00 0.00 -0.52 0.00 0.00 37.83 35.70 1jry s LYS 283 CO 0.03 0.34 0.00 -0.40 -0.92 0.00 0.00 175.35 174.40 1jry n ASP 284 N 0.82 0.00 -0.02 2.83 5.68 0.65 -4.78 116.55 121.73 1jry n ASP 284 Ca -0.17 -0.72 0.15 0.00 -0.50 0.00 0.00 54.79 53.54 1jry n ASP 284 Cb 0.54 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.26 1jry n ASP 284 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1jry n ASP 285 N -2.17 0.09 -1.01 -1.12 5.75 -1.26 -1.37 116.55 115.46 1jry n ASP 285 Ca 0.00 -0.28 0.10 0.00 -0.01 0.00 0.00 54.79 54.60 1jry n ASP 285 Cb 0.00 -0.22 0.21 0.00 -1.03 0.00 0.00 41.12 40.07 1jry n ASP 285 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jry n LYS 286 N -1.21 2.43 -1.32 0.11 5.02 -1.26 -4.97 118.16 116.96 1jry n LYS 286 Ca 0.15 -2.21 -0.05 0.00 -2.02 0.00 0.00 58.31 54.18 1jry n LYS 286 Cb 0.24 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 1jry n LYS 286 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jry n GLY 287 N 1.23 0.69 3.76 0.72 0.00 -0.47 -5.04 105.19 106.07 1jry n GLY 287 Ca 0.17 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 1jry n GLY 287 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jry s THR 288 N -2.21 4.28 0.36 2.61 -4.23 -1.26 -4.46 115.64 110.72 1jry s THR 288 Ca 0.00 -1.15 -0.28 0.00 -1.18 0.00 0.00 61.69 59.08 1jry s THR 288 Cb 0.00 -3.16 -0.10 0.00 1.34 0.00 0.00 72.50 70.57 1jry s THR 288 CO 0.00 -0.09 1.33 0.68 -0.54 0.00 0.00 174.62 176.00 1jry s VAL 289 N -1.72 2.59 0.00 2.29 -7.23 -0.50 -0.25 120.40 115.58 1jry s VAL 289 Ca 0.30 0.58 0.00 0.00 -1.81 0.00 0.00 61.98 61.05 1jry s VAL 289 Cb -0.10 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.48 1jry s VAL 289 CO 0.22 0.13 0.24 2.29 -0.31 0.00 0.00 175.10 177.67 1jry n LYS 290 N 0.59 2.38 -3.23 4.82 2.85 0.54 -4.69 118.16 121.42 1jry n LYS 290 Ca 0.01 -0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.03 1jry n LYS 290 Cb 0.42 -0.72 0.00 0.00 -0.65 0.00 0.00 35.03 34.08 1jry n LYS 290 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1jry n GLY 291 N 0.41 -0.43 3.47 2.58 0.00 -1.09 -1.25 105.19 108.88 1jry n GLY 291 Ca 0.00 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 1jry n GLY 291 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jry s ILE 292 N -3.16 -0.01 -0.13 -0.61 2.07 -0.48 0.10 121.20 118.98 1jry s ILE 292 Ca 0.00 0.03 -0.25 0.00 -1.41 0.00 0.00 60.65 59.02 1jry s ILE 292 Cb 0.00 -0.81 -0.02 0.00 0.13 0.00 0.00 42.46 41.76 1jry s ILE 292 CO 0.00 0.01 0.81 -0.22 -1.91 0.00 0.00 174.94 173.63 1jry s LEU 293 N 1.23 4.23 0.32 8.50 2.96 -0.28 -1.29 118.68 134.33 1jry s LEU 293 Ca -0.07 1.21 0.08 0.00 -0.22 0.00 0.00 54.13 55.13 1jry s LEU 293 Cb -0.06 -3.22 -0.06 0.00 0.50 0.00 0.00 46.19 43.35 1jry s LEU 293 CO -0.12 -0.32 -0.08 0.68 -1.32 0.00 0.00 176.35 175.19 1jry s VAL 294 N 1.72 2.01 -0.24 1.68 -7.23 0.49 -0.30 120.40 118.52 1jry s VAL 294 Ca 0.39 -2.18 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1jry s VAL 294 Cb -0.17 -2.57 0.06 0.00 0.56 0.00 0.00 36.38 34.25 1jry s VAL 294 CO 0.15 -0.24 -0.10 -0.75 -0.31 0.00 0.00 175.10 173.86 1jry s LYS 295 N -3.65 2.06 0.06 4.82 2.20 0.67 -1.83 119.74 124.06 1jry s LYS 295 Ca 0.31 -1.17 -0.27 0.00 -0.36 0.00 0.00 55.97 54.48 1jry s LYS 295 Cb 0.03 -2.74 -0.05 0.00 -1.51 0.00 0.00 37.83 33.56 1jry s LYS 295 CO 0.15 -0.55 0.84 0.20 -0.36 0.00 0.00 175.35 175.63 1jry s GLY 296 N 1.23 2.86 0.24 5.54 0.00 0.22 -1.12 107.32 116.29 1jry s GLY 296 Ca -0.07 0.39 -0.07 0.00 0.00 0.00 0.00 44.72 44.98 1jry s GLY 296 CO -0.06 1.27 1.92 1.98 0.00 0.00 0.00 173.10 178.20 1jry h MET 297 N 5.79 1.26 0.00 2.90 4.05 -1.49 -0.60 114.93 126.85 1jry h MET 297 Ca -0.43 -0.08 -0.37 0.00 -0.28 0.00 0.00 59.70 58.54 1jry h MET 297 Cb 1.21 -0.28 -0.07 0.00 -0.80 0.00 0.00 31.60 31.66 1jry h MET 297 CO 0.72 0.84 -2.40 0.66 0.23 0.00 0.00 176.91 176.96 1jry n TYR 298 N -4.41 0.00 0.76 1.39 4.02 -1.26 -4.65 117.16 113.01 1jry n TYR 298 Ca 0.11 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.09 1jry n TYR 298 Cb 0.02 -0.99 0.01 0.00 -0.02 0.00 0.00 39.34 38.36 1jry n TYR 298 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1jry n LYS 299 N -2.89 1.59 0.00 -0.72 4.76 -1.21 -5.03 118.16 114.66 1jry n LYS 299 Ca -0.36 -0.99 0.00 0.00 -2.87 0.00 0.00 58.31 54.08 1jry n LYS 299 Cb 1.11 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.98 1jry n LYS 299 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jry n GLY 300 N 1.15 -1.79 3.75 0.72 0.00 -0.23 -4.87 105.19 103.92 1jry n GLY 300 Ca 0.08 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 1jry n GLY 300 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jry s TYR 301 N 0.00 3.66 0.23 1.61 1.51 -1.26 0.70 117.35 123.80 1jry s TYR 301 Ca 0.00 1.72 -0.17 0.00 -1.01 0.00 0.00 57.07 57.61 1jry s TYR 301 Cb 0.00 -3.23 0.02 0.00 -0.11 0.00 0.00 41.96 38.64 1jry s TYR 301 CO 0.00 -0.38 0.56 1.52 -1.11 0.00 0.00 175.55 176.14 1jry s TYR 302 N -1.01 0.01 0.15 2.71 -0.85 -0.76 -4.87 117.35 112.75 1jry s TYR 302 Ca 0.45 -0.39 0.07 0.00 -0.52 0.00 0.00 57.07 56.68 1jry s TYR 302 Cb -0.30 0.41 -0.04 0.00 0.38 0.00 0.00 41.96 42.40 1jry s TYR 302 CO 0.38 -1.02 -0.16 1.67 -1.52 0.00 0.00 175.55 174.90 1jry s TRP 303 N -3.93 1.66 -0.13 -3.49 1.48 -1.26 -0.38 118.94 112.89 1jry s TRP 303 Ca 0.14 -0.52 0.02 0.00 -1.06 0.00 0.00 56.10 54.68 1jry s TRP 303 Cb -0.02 -0.83 0.00 0.00 -1.16 0.00 0.00 33.47 31.46 1jry s TRP 303 CO 0.03 0.27 -0.21 0.08 -4.06 0.00 0.00 176.95 173.06 1jry s VAL 304 N -2.22 2.23 -0.04 -0.66 1.01 -0.41 -0.26 120.40 120.04 1jry s VAL 304 Ca 0.14 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.95 1jry s VAL 304 Cb -0.05 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1jry s VAL 304 CO 0.05 0.55 0.72 -0.75 0.00 0.00 0.00 175.10 175.67 1jry s LYS 305 N 0.61 4.45 0.06 2.72 2.20 -0.45 -1.39 119.74 127.94 1jry s LYS 305 Ca -0.11 0.93 -0.27 0.00 -0.36 0.00 0.00 55.97 56.16 1jry s LYS 305 Cb -0.16 -3.43 0.07 0.00 -1.51 0.00 0.00 37.83 32.80 1jry s LYS 305 CO 0.03 0.11 0.67 0.00 -0.36 0.00 0.00 175.35 175.79 1jry s ALA 306 N 0.63 -1.69 0.15 3.13 0.00 -0.38 -1.10 121.76 122.49 1jry s ALA 306 Ca 0.38 0.89 0.01 0.00 0.00 0.00 0.00 51.96 53.24 1jry s ALA 306 Cb -0.18 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 1jry s ALA 306 CO 0.19 -0.59 1.35 -0.44 0.00 0.00 0.00 175.76 176.27 1jry h ASP 307 N 2.40 0.29 -4.16 0.00 3.32 -1.51 -3.09 116.42 113.66 1jry h ASP 307 Ca -0.30 -0.24 -0.30 0.00 0.02 0.00 0.00 57.03 56.21 1jry h ASP 307 Cb 1.23 -0.09 -0.26 0.00 0.22 0.00 0.00 39.33 40.43 1jry h ASP 307 CO 0.38 1.06 -0.74 0.00 -1.72 0.00 0.00 179.24 178.21 1jry s ALA 308 N -3.15 0.42 -0.07 3.45 0.00 -0.89 -4.48 121.76 117.04 1jry s ALA 308 Ca -0.03 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.62 1jry s ALA 308 Cb 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1jry s ALA 308 CO 0.84 0.05 -0.23 0.08 0.00 0.00 0.00 175.76 176.50 1jry s VAL 309 N -0.50 1.94 -0.25 0.00 1.01 0.77 -1.39 120.40 121.98 1jry s VAL 309 Ca -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1jry s VAL 309 Cb -0.04 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.73 1jry s VAL 309 CO -0.00 0.54 -0.11 -0.63 0.00 0.00 0.00 175.10 174.90 1jry s ILE 310 N 0.04 2.31 -0.28 2.22 1.01 -0.27 -0.94 121.20 125.29 1jry s ILE 310 Ca -0.08 -1.44 -0.23 0.00 0.00 0.00 0.00 60.65 58.90 1jry s ILE 310 Cb -0.15 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 1jry s ILE 310 CO 0.05 0.07 0.75 -0.76 0.00 0.00 0.00 174.94 175.05 1jry s LEU 311 N 1.17 4.08 -0.34 2.97 2.01 -0.28 0.54 118.68 128.83 1jry s LEU 311 Ca -0.05 0.74 0.16 0.00 0.01 0.00 0.00 54.13 54.99 1jry s LEU 311 Cb -0.19 -3.03 0.43 0.00 0.01 0.00 0.00 46.19 43.42 1jry s LEU 311 CO -0.06 -0.52 0.91 0.00 1.01 0.00 0.00 176.35 177.69 1jry n ALA 312 N 6.01 3.24 1.25 4.21 0.00 -0.04 -1.59 120.51 133.59 1jry n ALA 312 Ca 0.03 -3.29 0.13 0.00 0.00 0.00 0.00 53.44 50.30 1jry n ALA 312 Cb 0.48 -0.91 0.40 0.00 0.00 0.00 0.00 19.45 19.42 1jry n ALA 312 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jry n THR 313 N -0.02 0.10 -4.19 0.00 -2.24 -1.21 -4.21 114.28 102.52 1jry n THR 313 Ca 0.15 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1jry n THR 313 Cb 0.77 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1jry n THR 313 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jry n GLY 314 N 1.21 -1.66 0.00 3.38 0.00 -1.26 -4.83 105.19 102.03 1jry n GLY 314 Ca 0.17 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1jry n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jry n GLY 315 N 0.00 0.65 1.38 -0.02 0.00 -1.26 -2.62 105.19 103.32 1jry n GLY 315 Ca 0.00 -1.87 0.01 0.00 0.00 0.00 0.00 46.02 44.16 1jry n GLY 315 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1jry n PHE 316 N -0.45 0.47 0.54 1.61 1.16 -1.26 -2.99 117.46 116.55 1jry n PHE 316 Ca 0.00 -1.27 0.12 0.00 -1.87 0.00 0.00 57.45 54.42 1jry n PHE 316 Cb 0.00 -0.22 0.45 0.00 -1.61 0.00 0.00 39.48 38.10 1jry n PHE 316 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1jry n ALA 317 N -0.38 1.92 0.18 1.98 0.00 -1.16 -1.67 120.51 121.37 1jry n ALA 317 Ca 0.15 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.68 1jry n ALA 317 Cb 0.91 -1.40 0.14 0.00 0.00 0.00 0.00 19.45 19.10 1jry n ALA 317 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1jry h LYS 318 N 0.00 0.00 -6.05 0.00 3.64 -1.18 -3.42 116.57 109.56 1jry h LYS 318 Ca 0.00 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.78 1jry h LYS 318 Cb 0.48 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.20 1jry h LYS 318 CO 0.00 0.29 1.58 1.21 -2.27 0.00 0.00 179.45 180.27 1jry s ASN 319 N -6.33 6.50 0.37 4.20 3.84 -0.67 -4.81 114.94 118.04 1jry s ASN 319 Ca 0.04 -1.59 0.12 0.00 0.21 0.00 0.00 52.86 51.65 1jry s ASN 319 Cb 0.07 -2.57 0.73 0.00 -0.55 0.00 0.00 41.25 38.93 1jry s ASN 319 CO 0.70 -1.51 1.84 -1.13 -2.79 0.00 0.00 177.10 174.21 1jry h ASN 320 N 9.49 0.03 -0.57 -4.21 -0.73 -1.84 -1.17 115.58 116.59 1jry h ASN 320 Ca 0.24 -0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.37 1jry h ASN 320 Cb 0.99 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 39.54 1jry h ASN 320 CO 1.43 0.37 0.25 -0.08 -0.37 0.00 0.00 177.43 179.03 1jry h GLU 321 N 0.03 0.84 -0.04 6.67 4.81 -1.96 0.37 114.58 125.28 1jry h GLU 321 Ca 0.00 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1jry h GLU 321 Cb 0.62 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1jry h GLU 321 CO 0.05 0.71 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.92 1jry h ARG 322 N 0.78 0.09 -0.22 1.92 2.43 -1.86 -2.78 114.38 114.74 1jry h ARG 322 Ca 0.19 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.37 1jry h ARG 322 Cb 0.17 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 1jry h ARG 322 CO -0.02 0.50 -0.14 0.28 -1.51 0.00 0.00 179.97 179.08 1jry h VAL 323 N -0.31 0.59 0.00 0.20 2.07 -1.10 -2.33 116.25 115.36 1jry h VAL 323 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1jry h VAL 323 Cb 0.47 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1jry h VAL 323 CO 0.01 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.57 1jry h ALA 324 N 1.03 1.42 -0.06 1.67 0.00 -0.22 0.16 119.26 123.26 1jry h ALA 324 Ca 0.13 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1jry h ALA 324 Cb 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1jry h ALA 324 CO -0.30 0.04 -0.65 0.87 0.00 0.00 0.00 179.25 179.21 1jry h LYS 325 N 0.00 0.26 0.00 0.00 1.57 -1.14 -2.65 116.57 114.62 1jry h LYS 325 Ca -0.00 -0.19 -0.27 0.00 -1.87 0.00 0.00 60.65 58.32 1jry h LYS 325 Cb 0.09 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1jry h LYS 325 CO 0.00 0.82 -1.49 -0.07 -0.57 0.00 0.00 179.45 178.14 1jry h LEU 326 N 0.19 0.01 -6.39 2.94 3.38 -1.15 -3.43 115.31 110.86 1jry h LEU 326 Ca -0.01 -0.02 -0.47 0.00 0.09 0.00 0.00 57.88 57.46 1jry h LEU 326 Cb 1.18 -0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.58 1jry h LEU 326 CO 0.10 1.02 -0.78 -0.62 0.09 0.00 0.00 178.44 178.25 1jry s ASP 327 N -6.31 1.78 0.61 -0.43 3.68 0.51 -4.86 116.67 111.65 1jry s ASP 327 Ca -0.03 -2.02 0.31 0.00 2.13 0.00 0.00 52.55 52.94 1jry s ASP 327 Cb 0.09 0.12 1.75 0.00 -1.45 0.00 0.00 42.92 43.43 1jry s ASP 327 CO 0.82 -0.26 2.10 -0.65 0.13 0.00 0.00 175.17 177.32 1jry h PRO 328 N 6.77 0.00 0.00 4.34 0.11 -1.69 -1.78 132.00 139.75 1jry h PRO 328 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1jry h PRO 328 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1jry h PRO 328 CO 0.24 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.90 1jry n SER 329 N -3.57 0.00 -1.12 -2.05 3.41 -1.26 -1.99 113.62 107.04 1jry n SER 329 Ca 0.01 0.23 0.12 0.00 -0.26 0.00 0.00 58.87 58.97 1jry n SER 329 Cb 0.31 -0.38 0.20 0.00 -0.26 0.00 0.00 64.21 64.08 1jry n SER 329 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jry n LEU 330 N -1.38 3.39 -4.73 1.04 4.77 -0.67 -4.94 117.00 114.48 1jry n LEU 330 Ca 0.07 -1.40 -0.42 0.00 -0.03 0.00 0.00 56.01 54.23 1jry n LEU 330 Cb 0.19 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1jry n LEU 330 CO 0.17 0.70 1.19 -0.75 -1.33 0.00 0.00 177.39 177.38 1jry s LYS 331 N -1.59 4.23 0.00 3.23 2.20 -0.84 -1.95 119.74 125.02 1jry s LYS 331 Ca 0.37 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 1jry s LYS 331 Cb 0.22 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.41 1jry s LYS 331 CO 0.32 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 1jry n GLY 332 N 3.27 1.34 3.79 5.54 0.00 -1.26 -5.03 105.19 112.84 1jry n GLY 332 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1jry n GLY 332 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jry s PHE 333 N -3.18 3.08 0.49 1.61 0.40 -0.82 -5.03 117.98 114.53 1jry s PHE 333 Ca 0.00 1.60 -0.20 0.00 -0.60 0.00 0.00 56.93 57.73 1jry s PHE 333 Cb 0.00 -3.11 -0.08 0.00 0.51 0.00 0.00 43.02 40.34 1jry s PHE 333 CO 0.00 -0.80 1.05 0.42 0.70 0.00 0.00 175.22 176.58 1jry s ILE 334 N -1.83 3.72 0.19 0.64 1.01 -1.26 -4.81 121.20 118.86 1jry s ILE 334 Ca 0.64 1.08 0.05 0.00 0.00 0.00 0.00 60.65 62.42 1jry s ILE 334 Cb -0.19 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1jry s ILE 334 CO 0.24 -0.22 0.17 -0.55 0.00 0.00 0.00 174.94 174.57 1jry s SER 335 N -1.95 5.60 0.00 3.58 0.15 -1.26 -0.52 113.70 119.30 1jry s SER 335 Ca 0.68 -0.14 0.25 0.00 0.70 0.00 0.00 55.95 57.44 1jry s SER 335 Cb -0.17 -1.48 0.85 0.00 -1.71 0.00 0.00 66.02 63.52 1jry s SER 335 CO 0.21 0.03 1.63 0.35 1.20 0.00 0.00 173.24 176.66 1jry n THR 336 N -0.63 0.09 -2.70 6.45 -2.24 -0.45 -4.86 114.28 109.93 1jry n THR 336 Ca -0.08 -0.32 -0.27 0.00 -2.27 0.00 0.00 64.05 61.11 1jry n THR 336 Cb 0.56 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 1jry n THR 336 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1jry s ASN 337 N -1.84 6.19 0.75 3.42 0.02 -1.26 -4.79 114.94 117.42 1jry s ASN 337 Ca 0.35 0.84 -0.13 0.00 -1.02 0.00 0.00 52.86 52.89 1jry s ASN 337 Cb 0.20 -2.15 0.05 0.00 0.02 0.00 0.00 41.25 39.37 1jry s ASN 337 CO 0.31 -0.60 1.15 0.00 0.02 0.00 0.00 177.10 177.98 1jry s GLN 338 N -4.71 2.17 0.52 -0.60 1.03 -1.26 -4.92 119.66 111.88 1jry s GLN 338 Ca 0.47 1.52 0.34 0.00 0.04 0.00 0.00 55.36 57.73 1jry s GLN 338 Cb -0.10 -1.86 1.61 0.00 0.03 0.00 0.00 33.01 32.69 1jry s GLN 338 CO 0.44 -1.76 2.03 -1.00 -2.54 0.00 0.00 175.29 172.46 1jry h PRO 339 N -0.59 0.00 -0.65 9.60 0.13 -1.97 -2.76 132.00 135.76 1jry h PRO 339 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1jry h PRO 339 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1jry h PRO 339 CO 0.50 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.68 1jry n GLY 340 N -0.42 2.42 2.81 1.56 0.00 -1.26 -4.70 105.19 105.60 1jry n GLY 340 Ca -0.00 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1jry n GLY 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jry n ALA 341 N 1.04 5.54 0.04 4.61 0.00 -1.04 -4.57 120.51 126.13 1jry n ALA 341 Ca 0.23 -4.26 0.01 0.00 0.00 0.00 0.00 53.44 49.42 1jry n ALA 341 Cb 0.80 -3.00 0.02 0.00 0.00 0.00 0.00 19.45 17.27 1jry n ALA 341 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1jry n VAL 342 N 3.27 0.42 -0.65 0.00 0.24 -1.21 -0.64 118.33 119.76 1jry n VAL 342 Ca 0.43 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 1jry n VAL 342 Cb 0.35 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 1jry n VAL 342 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jry n GLY 343 N -0.05 0.63 0.35 7.63 0.00 -1.16 -4.73 105.19 107.85 1jry n GLY 343 Ca 0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 1jry n GLY 343 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1jry h ASP 344 N 0.00 0.92 -0.99 1.61 -0.00 -1.88 -1.68 116.42 114.39 1jry h ASP 344 Ca 0.00 -0.05 0.15 0.00 -0.00 0.00 0.00 57.03 57.13 1jry h ASP 344 Cb 0.00 -0.23 -0.09 0.00 -0.00 0.00 0.00 39.33 39.01 1jry h ASP 344 CO 0.00 0.71 0.62 1.23 -0.00 0.00 0.00 179.24 181.80 1jry h GLY 345 N 1.08 1.62 1.22 7.15 0.00 -1.92 -0.11 103.07 112.12 1jry h GLY 345 Ca 0.27 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 1jry h GLY 345 CO -0.05 0.08 0.08 1.41 0.00 0.00 0.00 176.54 178.05 1jry h LEU 346 N 0.87 0.91 -0.46 3.11 3.38 -1.64 -0.89 115.31 120.59 1jry h LEU 346 Ca 0.52 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 1jry h LEU 346 Cb 0.67 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1jry h LEU 346 CO -0.29 0.92 0.19 0.44 0.09 0.00 0.00 178.44 179.80 1jry h ASP 347 N 0.90 0.63 -0.34 -0.43 3.32 -0.80 -0.03 116.42 119.66 1jry h ASP 347 Ca 0.18 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1jry h ASP 347 Cb 0.42 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1jry h ASP 347 CO 0.01 0.61 0.19 0.58 -1.72 0.00 0.00 179.24 178.91 1jry h VAL 348 N 0.60 1.14 -0.42 -1.35 2.07 -0.62 -0.61 116.25 117.06 1jry h VAL 348 Ca 0.16 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1jry h VAL 348 Cb 0.17 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1jry h VAL 348 CO -0.01 0.14 0.16 0.00 0.02 0.00 0.00 177.57 177.87 1jry h ALA 349 N 1.05 0.50 -0.63 1.67 0.00 -0.81 -1.26 119.26 119.78 1jry h ALA 349 Ca 0.12 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1jry h ALA 349 Cb 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1jry h ALA 349 CO -0.02 -0.23 0.15 0.93 0.00 0.00 0.00 179.25 180.08 1jry h GLU 350 N 0.33 1.02 -0.03 0.00 5.08 -0.77 0.17 114.58 120.37 1jry h GLU 350 Ca 0.19 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1jry h GLU 350 Cb 0.17 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1jry h GLU 350 CO -0.19 0.92 -0.12 -0.91 -1.00 0.00 0.00 179.01 177.72 1jry h ASN 351 N 0.94 0.04 0.63 1.42 2.35 -0.88 0.16 115.58 120.25 1jry h ASN 351 Ca 0.20 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1jry h ASN 351 Cb 0.37 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1jry h ASN 351 CO 0.00 0.18 0.00 0.00 -1.65 0.00 0.00 177.43 175.96 1jry n ALA 352 N -2.51 2.24 0.00 -0.83 0.00 -0.50 -4.90 120.51 114.01 1jry n ALA 352 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1jry n ALA 352 Cb 0.21 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1jry n ALA 352 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jry n GLY 353 N 0.98 0.74 3.77 0.00 0.00 0.55 -5.07 105.19 106.15 1jry n GLY 353 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1jry n GLY 353 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jry s GLY 354 N -1.73 2.90 0.10 -0.02 0.00 0.51 -4.22 107.32 104.86 1jry s GLY 354 Ca 0.00 1.17 -0.02 0.00 0.00 0.00 0.00 44.72 45.87 1jry s GLY 354 CO 0.00 1.73 0.30 0.00 0.00 0.00 0.00 173.10 175.12 1jry s ALA 355 N -1.31 3.90 0.24 3.20 0.00 -0.41 -4.12 121.76 123.25 1jry s ALA 355 Ca 0.59 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.92 1jry s ALA 355 Cb -0.36 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 1jry s ALA 355 CO 0.46 0.75 0.19 -0.51 0.00 0.00 0.00 175.76 176.65 1jry s LEU 356 N -2.59 3.83 0.10 0.00 1.43 -1.26 0.08 118.68 120.27 1jry s LEU 356 Ca 0.38 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.13 1jry s LEU 356 Cb -0.13 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.74 1jry s LEU 356 CO 0.26 -0.03 0.29 -1.59 0.23 0.00 0.00 176.35 175.52 1jry s LYS 357 N -3.77 0.93 -1.97 1.70 -2.85 0.42 -4.82 119.74 109.38 1jry s LYS 357 Ca 0.33 -0.79 0.00 0.00 -1.00 0.00 0.00 55.97 54.51 1jry s LYS 357 Cb -0.08 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 1jry s LYS 357 CO 0.25 -0.33 0.00 -0.25 0.10 0.00 0.00 175.35 175.12 1jry n ASP 358 N -0.04 -5.41 0.28 0.03 8.00 -1.26 -1.52 116.55 116.64 1jry n ASP 358 Ca -0.16 0.46 0.13 0.00 0.71 0.00 0.00 54.79 55.93 1jry n ASP 358 Cb 0.63 -4.55 0.82 0.00 -0.02 0.00 0.00 41.12 37.99 1jry n ASP 358 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1jry h MET 359 N 0.00 0.00 0.00 -1.24 2.86 -1.90 -1.54 114.93 113.12 1jry h MET 359 Ca -0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1jry h MET 359 Cb 1.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1jry h MET 359 CO 0.56 0.01 0.00 -0.56 1.06 0.00 0.00 176.91 177.98 1jry h GLN 360 N 0.00 0.00 -5.65 1.72 -0.00 -1.89 -3.41 115.11 105.88 1jry h GLN 360 Ca -0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 58.04 1jry h GLN 360 Cb 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 27.48 27.38 1jry h GLN 360 CO 0.00 0.00 0.61 0.71 -0.00 0.00 0.00 178.83 180.15 1jry s TYR 361 N -3.30 2.65 -0.16 0.06 2.02 -0.59 -4.72 117.35 113.30 1jry s TYR 361 Ca 0.05 -0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 56.37 1jry s TYR 361 Cb 0.10 -4.28 -0.01 0.00 -0.40 0.00 0.00 41.96 37.36 1jry s TYR 361 CO 0.46 -1.64 -0.09 0.42 -1.57 0.00 0.00 175.55 173.13 1jry s ILE 362 N 4.25 3.26 -0.09 2.71 1.01 -1.26 -2.00 121.20 129.08 1jry s ILE 362 Ca 0.26 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 60.13 1jry s ILE 362 Cb -0.15 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1jry s ILE 362 CO 0.13 0.49 0.59 -1.58 0.00 0.00 0.00 174.94 174.57 1jry s GLN 363 N 0.74 4.38 -0.15 2.79 0.74 0.33 -4.98 119.66 123.51 1jry s GLN 363 Ca -0.04 0.67 -0.10 0.00 0.05 0.00 0.00 55.36 55.94 1jry s GLN 363 Cb -0.15 -3.44 -0.05 0.00 1.10 0.00 0.00 33.01 30.48 1jry s GLN 363 CO 0.02 0.13 0.19 0.00 -0.55 0.00 0.00 175.29 175.07 1jry s ALA 364 N 0.65 3.74 0.04 1.58 0.00 -1.26 -0.85 121.76 125.67 1jry s ALA 364 Ca 0.32 -0.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 1jry s ALA 364 Cb -0.17 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 1jry s ALA 364 CO 0.14 0.34 0.92 -1.58 0.00 0.00 0.00 175.76 175.59 1jry s HIS 365 N -0.26 3.72 0.24 0.00 2.46 0.15 -4.56 115.29 117.04 1jry s HIS 365 Ca 0.14 1.67 0.18 0.00 0.47 0.00 0.00 55.06 57.51 1jry s HIS 365 Cb -0.12 -3.03 0.73 0.00 -0.13 0.00 0.00 32.58 30.02 1jry s HIS 365 CO 0.03 0.11 1.77 -1.00 -2.47 0.00 0.00 174.74 173.18 1jry h PRO 366 N 6.20 0.00 -2.26 2.88 0.13 -1.85 0.92 132.00 138.02 1jry h PRO 366 Ca -0.42 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.11 1jry h PRO 366 Cb 1.21 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.93 1jry h PRO 366 CO 0.73 0.38 -0.66 0.25 -0.23 0.00 0.00 178.00 178.47 1jry n THR 367 N -3.66 1.85 -2.78 1.56 -2.24 -1.26 -2.31 114.28 105.44 1jry n THR 367 Ca -0.01 -5.01 -0.40 0.00 -2.27 0.00 0.00 64.05 56.36 1jry n THR 367 Cb 0.48 -2.08 -0.06 0.00 -2.10 0.00 0.00 70.33 66.57 1jry n THR 367 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1jry s LEU 368 N -2.17 4.59 0.11 3.22 2.96 0.01 -0.94 118.68 126.46 1jry s LEU 368 Ca 0.38 1.85 -0.31 0.00 -0.22 0.00 0.00 54.13 55.83 1jry s LEU 368 Cb 0.13 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.18 1jry s LEU 368 CO -0.04 0.10 1.67 -0.55 -1.32 0.00 0.00 176.35 176.21 1jry s SER 369 N -0.80 6.55 0.10 3.68 0.15 0.11 -1.65 113.70 121.84 1jry s SER 369 Ca 0.42 2.60 -0.21 0.00 0.70 0.00 0.00 55.95 59.46 1jry s SER 369 Cb -0.25 -2.57 -0.10 0.00 -1.71 0.00 0.00 66.02 61.39 1jry s SER 369 CO 0.30 -0.90 1.73 0.58 1.20 0.00 0.00 173.24 176.15 1jry h VAL 370 N 4.53 1.06 -0.53 4.45 2.07 -1.49 0.08 116.25 126.42 1jry h VAL 370 Ca -0.43 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 66.82 1jry h VAL 370 Cb 1.21 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1jry h VAL 370 CO 0.93 0.06 -0.13 0.50 0.02 0.00 0.00 177.57 178.95 1jry h LYS 371 N 0.15 1.02 0.00 1.57 3.64 -1.91 -3.32 116.57 117.72 1jry h LYS 371 Ca 0.05 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1jry h LYS 371 Cb 0.02 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1jry h LYS 371 CO -0.01 1.08 -1.29 0.41 -2.27 0.00 0.00 179.45 177.37 1jry n GLY 372 N -0.24 -1.04 2.48 5.01 0.00 -1.20 -4.98 105.19 105.22 1jry n GLY 372 Ca 0.01 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 1jry n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jry n GLY 373 N 1.41 1.11 3.44 -0.02 0.00 0.01 -4.78 105.19 106.35 1jry n GLY 373 Ca 0.01 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 1jry n GLY 373 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jry s VAL 374 N -2.77 2.17 0.26 1.61 -7.23 -1.25 -4.88 120.40 108.31 1jry s VAL 374 Ca 0.00 -2.31 -0.30 0.00 -1.81 0.00 0.00 61.98 57.57 1jry s VAL 374 Cb 0.00 -2.28 -0.10 0.00 0.56 0.00 0.00 36.38 34.57 1jry s VAL 374 CO 0.00 -0.43 1.38 -0.32 -0.31 0.00 0.00 175.10 175.43 1jry s MET 375 N -3.58 4.31 -0.23 4.82 -2.45 -1.26 0.04 119.30 120.95 1jry s MET 375 Ca 0.28 2.24 -0.07 0.00 -1.25 0.00 0.00 55.69 56.89 1jry s MET 375 Cb -0.02 -3.11 -0.03 0.00 1.25 0.00 0.00 34.83 32.92 1jry s MET 375 CO 0.13 -0.33 0.07 0.08 1.05 0.00 0.00 175.02 176.01 1jry s VAL 376 N -0.31 4.40 0.54 10.11 1.01 -0.11 -4.80 120.40 131.23 1jry s VAL 376 Ca 0.56 -0.15 -0.22 0.00 0.00 0.00 0.00 61.98 62.17 1jry s VAL 376 Cb -0.40 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 1jry s VAL 376 CO 0.45 0.36 1.30 0.28 0.00 0.00 0.00 175.10 177.50 1jry s THR 377 N 1.34 2.33 0.59 3.92 -1.32 -1.26 -4.72 115.64 116.52 1jry s THR 377 Ca 0.05 0.24 0.42 0.00 -1.21 0.00 0.00 61.69 61.20 1jry s THR 377 Cb -0.15 -3.12 0.43 0.00 -1.51 0.00 0.00 72.50 68.16 1jry s THR 377 CO 0.03 -0.01 2.32 -0.08 -2.21 0.00 0.00 174.62 174.67 1jry h GLU 378 N 1.48 0.00 0.00 7.08 4.81 -1.98 -1.80 114.58 124.18 1jry h GLU 378 Ca -0.51 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 1jry h GLU 378 Cb 1.29 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 1jry h GLU 378 CO 0.57 0.00 -0.09 0.00 -0.73 0.00 0.00 179.01 178.76 1jry h ALA 379 N 2.00 1.76 -0.50 2.92 0.00 -1.90 0.21 119.26 123.75 1jry h ALA 379 Ca -0.00 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1jry h ALA 379 Cb 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1jry h ALA 379 CO 0.00 0.12 0.31 0.28 0.00 0.00 0.00 179.25 179.96 1jry h VAL 380 N 0.00 1.08 -0.14 0.00 2.07 -1.69 0.25 116.25 117.82 1jry h VAL 380 Ca -0.00 -0.21 -0.21 0.00 0.82 0.00 0.00 66.70 67.10 1jry h VAL 380 Cb 0.17 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1jry h VAL 380 CO 0.01 0.11 -0.72 0.03 0.02 0.00 0.00 177.57 177.03 1jry h ARG 381 N 0.62 0.74 -0.53 1.57 3.08 -1.35 -2.07 114.38 116.44 1jry h ARG 381 Ca 0.20 -0.60 0.06 0.00 0.07 0.00 0.00 59.98 59.70 1jry h ARG 381 Cb -0.01 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1jry h ARG 381 CO -0.07 1.21 0.35 0.78 -1.07 0.00 0.00 179.97 181.17 1jry h GLY 382 N 0.44 0.59 -0.23 0.04 0.00 -0.78 0.09 103.07 103.23 1jry h GLY 382 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1jry h GLY 382 CO 0.15 0.15 0.00 0.70 0.00 0.00 0.00 176.54 177.53 1jry n ASN 383 N -4.47 1.24 0.00 0.19 4.13 0.87 -4.46 115.26 112.75 1jry n ASN 383 Ca 0.07 -1.43 0.00 0.00 1.68 0.00 0.00 54.58 54.90 1jry n ASN 383 Cb 0.25 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 1jry n ASN 383 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jry n GLY 384 N 1.14 0.23 3.77 7.41 0.00 0.01 -4.64 105.19 113.11 1jry n GLY 384 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1jry n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jry s ALA 385 N -0.86 2.53 0.40 4.61 0.00 -0.79 -4.83 121.76 122.82 1jry s ALA 385 Ca 0.00 0.66 0.08 0.00 0.00 0.00 0.00 51.96 52.69 1jry s ALA 385 Cb 0.00 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1jry s ALA 385 CO 0.00 -1.13 0.36 0.96 0.00 0.00 0.00 175.76 175.95 1jry s ILE 386 N -2.13 2.85 -0.15 0.00 -4.36 -0.89 -4.57 121.20 111.96 1jry s ILE 386 Ca 0.69 -1.35 -0.03 0.00 -0.26 0.00 0.00 60.65 59.70 1jry s ILE 386 Cb -0.22 -3.04 -0.03 0.00 1.25 0.00 0.00 42.46 40.42 1jry s ILE 386 CO 0.37 -0.04 -0.05 -0.76 0.24 0.00 0.00 174.94 174.70 1jry s LEU 387 N -4.10 3.21 0.10 0.37 1.43 -1.26 -0.37 118.68 118.06 1jry s LEU 387 Ca 0.47 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 1jry s LEU 387 Cb -0.04 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1jry s LEU 387 CO 0.28 0.18 -0.15 0.68 0.23 0.00 0.00 176.35 177.57 1jry s VAL 388 N 0.28 1.33 0.03 -1.59 -7.23 0.32 -4.12 120.40 109.42 1jry s VAL 388 Ca -0.04 -1.57 -0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1jry s VAL 388 Cb -0.14 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.40 1jry s VAL 388 CO 0.03 -0.30 0.04 -0.46 -0.31 0.00 0.00 175.10 174.10 1jry n ASN 389 N 0.84 0.05 0.29 4.85 0.23 -0.50 -0.52 115.26 120.50 1jry n ASN 389 Ca -0.18 -1.04 0.17 0.00 -0.53 0.00 0.00 54.58 53.01 1jry n ASN 389 Cb 0.56 -0.03 0.87 0.00 -2.08 0.00 0.00 39.78 39.10 1jry n ASN 389 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1jry h ARG 390 N 0.00 0.00 -0.03 -3.83 3.08 -1.82 -0.91 114.38 110.87 1jry h ARG 390 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1jry h ARG 390 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1jry h ARG 390 CO 0.01 0.04 0.00 0.39 -1.07 0.00 0.00 179.97 179.35 1jry n GLU 391 N -3.29 1.16 -1.03 0.04 4.71 -1.26 -3.22 120.64 117.75 1jry n GLU 391 Ca -0.01 -0.24 -0.01 0.00 -0.01 0.00 0.00 57.16 56.89 1jry n GLU 391 Cb 0.21 -1.37 -0.00 0.00 -1.01 0.00 0.00 31.44 29.27 1jry n GLU 391 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jry n GLY 392 N 0.92 0.49 3.58 0.62 0.00 -0.35 -4.59 105.19 105.85 1jry n GLY 392 Ca 0.17 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 1jry n GLY 392 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jry s LYS 393 N -1.12 2.06 0.55 1.61 1.02 -1.26 -3.08 119.74 119.52 1jry s LYS 393 Ca 0.00 -1.56 -0.16 0.00 0.02 0.00 0.00 55.97 54.27 1jry s LYS 393 Cb 0.00 -2.01 -0.06 0.00 -0.52 0.00 0.00 37.83 35.24 1jry s LYS 393 CO 0.00 0.34 1.02 1.03 -0.92 0.00 0.00 175.35 176.82 1jry s ARG 394 N -3.62 3.68 0.00 1.68 0.52 -1.26 -1.40 118.95 118.55 1jry s ARG 394 Ca 0.31 1.07 0.00 0.00 -0.52 0.00 0.00 55.73 56.59 1jry s ARG 394 Cb -0.06 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.32 1jry s ARG 394 CO 0.18 -0.50 0.00 1.97 0.02 0.00 0.00 175.30 176.97 1jry n PHE 395 N -1.76 0.00 -3.50 -0.53 1.16 -1.26 -4.89 117.46 106.68 1jry n PHE 395 Ca 0.08 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.50 1jry n PHE 395 Cb 0.53 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.36 1jry n PHE 395 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1jry s VAL 396 N 0.00 0.01 -0.24 1.97 0.11 -1.26 -5.03 120.40 115.96 1jry s VAL 396 Ca 0.00 -0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 58.71 1jry s VAL 396 Cb 0.00 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 1jry s VAL 396 CO 0.00 -0.03 1.79 0.21 -3.33 0.00 0.00 175.10 173.75 1jry s ASN 397 N -1.86 6.09 0.19 3.54 2.47 -1.26 -4.86 114.94 119.24 1jry s ASN 397 Ca -0.06 1.64 0.21 0.00 0.42 0.00 0.00 52.86 55.07 1jry s ASN 397 Cb -0.00 -2.53 0.88 0.00 -1.45 0.00 0.00 41.25 38.15 1jry s ASN 397 CO -0.00 -1.50 1.64 -0.62 -3.72 0.00 0.00 177.10 172.90 1jry n GLU 398 N 8.07 0.14 -0.58 0.43 4.71 -1.26 -2.08 120.64 130.07 1jry n GLU 398 Ca 0.22 0.39 0.03 0.00 -0.01 0.00 0.00 57.16 57.79 1jry n GLU 398 Cb 0.45 -1.78 0.23 0.00 -1.01 0.00 0.00 31.44 29.34 1jry n GLU 398 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1jry n ILE 399 N -2.04 2.39 -1.39 -3.67 -5.35 -1.26 -4.83 119.36 103.21 1jry n ILE 399 Ca 0.02 -2.19 -0.29 0.00 -0.27 0.00 0.00 62.75 60.02 1jry n ILE 399 Cb 0.21 -0.28 0.23 0.00 -1.74 0.00 0.00 39.64 38.05 1jry n ILE 399 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1jry n THR 400 N -0.77 0.00 -1.60 7.28 5.66 -0.89 -0.81 114.28 123.15 1jry n THR 400 Ca 0.26 -0.67 -0.30 0.00 -3.05 0.00 0.00 64.05 60.29 1jry n THR 400 Cb 0.96 -1.35 0.09 0.00 -1.55 0.00 0.00 70.33 68.47 1jry n THR 400 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1jry s THR 401 N -3.31 3.07 0.32 1.09 -4.23 -1.26 -4.05 115.64 107.27 1jry s THR 401 Ca 0.71 0.35 0.01 0.00 -1.18 0.00 0.00 61.69 61.58 1jry s THR 401 Cb -0.05 -3.13 0.19 0.00 1.34 0.00 0.00 72.50 70.86 1jry s THR 401 CO 0.53 -0.45 1.90 0.11 -0.54 0.00 0.00 174.62 176.17 1jry h LYS 402 N -1.05 0.74 -0.36 3.99 1.57 -1.89 -0.55 116.57 119.03 1jry h LYS 402 Ca -0.47 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.17 1jry h LYS 402 Cb 1.27 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 1jry h LYS 402 CO 0.60 0.63 0.12 0.38 -0.57 0.00 0.00 179.45 180.60 1jry h ASP 403 N 0.73 0.53 -0.16 0.86 -0.00 -1.93 -0.13 116.42 116.32 1jry h ASP 403 Ca 0.17 -0.20 -0.15 0.00 -0.00 0.00 0.00 57.03 56.85 1jry h ASP 403 Cb 0.17 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.36 1jry h ASP 403 CO -0.01 0.59 -0.45 0.11 -0.00 0.00 0.00 179.24 179.48 1jry h LYS 404 N 0.44 0.72 -0.51 4.15 1.57 -1.78 -2.27 116.57 118.88 1jry h LYS 404 Ca 0.12 -0.40 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 1jry h LYS 404 Cb 0.25 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1jry h LYS 404 CO -0.00 1.02 -0.03 0.00 -0.57 0.00 0.00 179.45 179.86 1jry h ALA 405 N 0.92 0.69 0.01 3.86 0.00 -1.06 -1.16 119.26 122.53 1jry h ALA 405 Ca 0.04 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1jry h ALA 405 Cb 1.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1jry h ALA 405 CO 0.09 0.54 -0.04 0.77 0.00 0.00 0.00 179.25 180.61 1jry h SER 406 N 0.79 -0.11 -0.67 0.00 0.02 -0.97 -1.11 113.55 111.51 1jry h SER 406 Ca 0.14 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1jry h SER 406 Cb 0.57 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1jry h SER 406 CO 0.03 -0.06 0.43 0.00 -1.14 0.00 0.00 176.83 176.09 1jry h ALA 407 N 0.91 0.85 -0.61 3.77 0.00 -1.40 -0.84 119.26 121.94 1jry h ALA 407 Ca 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1jry h ALA 407 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1jry h ALA 407 CO -0.03 0.30 0.23 0.00 0.00 0.00 0.00 179.25 179.74 1jry h ALA 408 N 1.23 0.79 -0.26 0.00 0.00 -0.96 -1.86 119.26 118.19 1jry h ALA 408 Ca 0.24 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1jry h ALA 408 Cb -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1jry h ALA 408 CO -0.05 0.42 0.05 0.82 0.00 0.00 0.00 179.25 180.49 1jry h ILE 409 N 0.85 1.22 0.00 0.00 2.04 -0.90 -2.42 117.51 118.29 1jry h ILE 409 Ca 0.20 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1jry h ILE 409 Cb 0.22 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1jry h ILE 409 CO -0.01 0.24 -0.02 -0.07 0.00 0.00 0.00 178.15 178.29 1jry h LEU 410 N 0.25 0.00 -0.54 1.44 3.38 -1.04 -0.47 115.31 118.32 1jry h LEU 410 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1jry h LEU 410 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1jry h LEU 410 CO 0.00 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1jry n ALA 411 N -2.16 2.59 -2.56 1.53 0.00 -0.71 -4.49 120.51 114.70 1jry n ALA 411 Ca -0.02 -0.33 -0.28 0.00 0.00 0.00 0.00 53.44 52.81 1jry n ALA 411 Cb 0.12 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1jry n ALA 411 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1jry s GLN 412 N -1.94 3.60 0.15 0.00 -1.52 -0.19 -4.97 119.66 114.79 1jry s GLN 412 Ca 0.36 -0.07 -0.34 0.00 -1.95 0.00 0.00 55.36 53.36 1jry s GLN 412 Cb 0.18 -2.67 -0.15 0.00 -0.22 0.00 0.00 33.01 30.14 1jry s GLN 412 CO 0.29 0.23 1.36 2.41 -0.25 0.00 0.00 175.29 179.33 1jry n THR 413 N -0.97 0.36 -0.75 -0.19 -1.04 -1.26 -0.48 114.28 109.95 1jry n THR 413 Ca -0.02 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1jry n THR 413 Cb 0.54 -1.09 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 1jry n THR 413 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jry n GLY 414 N 2.55 1.40 2.44 3.41 0.00 -1.26 -4.00 105.19 109.73 1jry n GLY 414 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1jry n GLY 414 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jry n LYS 415 N -2.00 -1.89 -4.06 1.61 4.01 0.37 -4.97 118.16 111.24 1jry n LYS 415 Ca 0.00 0.97 -0.10 0.00 -0.51 0.00 0.00 58.31 58.67 1jry n LYS 415 Cb 0.00 -5.64 -0.07 0.00 -0.51 0.00 0.00 35.03 28.80 1jry n LYS 415 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1jry s SER 416 N -2.08 0.03 0.20 4.39 1.04 -1.25 -4.55 113.70 111.49 1jry s SER 416 Ca 0.01 -1.07 -0.03 0.00 0.48 0.00 0.00 55.95 55.35 1jry s SER 416 Cb -0.01 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.60 1jry s SER 416 CO 0.02 -0.98 0.31 0.00 0.98 0.00 0.00 173.24 173.58 1jry n ALA 417 N -0.30 -0.36 -3.34 5.32 0.00 0.37 -4.64 120.51 117.55 1jry n ALA 417 Ca -0.02 -0.88 -0.20 0.00 0.00 0.00 0.00 53.44 52.34 1jry n ALA 417 Cb 0.63 0.71 -0.16 0.00 0.00 0.00 0.00 19.45 20.63 1jry n ALA 417 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1jry s TYR 418 N -4.11 0.85 0.17 0.00 2.02 0.32 -0.13 117.35 116.47 1jry s TYR 418 Ca 0.15 -0.23 -0.30 0.00 -0.37 0.00 0.00 57.07 56.32 1jry s TYR 418 Cb -0.01 -0.67 -0.07 0.00 -0.40 0.00 0.00 41.96 40.81 1jry s TYR 418 CO 0.11 -0.15 1.06 -0.51 -1.57 0.00 0.00 175.55 174.49 1jry s LEU 419 N 0.55 4.50 -0.04 -1.29 1.43 0.37 -0.52 118.68 123.69 1jry s LEU 419 Ca -0.08 2.02 0.07 0.00 -1.03 0.00 0.00 54.13 55.11 1jry s LEU 419 Cb -0.12 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1jry s LEU 419 CO 0.01 -0.17 -0.24 -0.63 0.23 0.00 0.00 176.35 175.55 1jry s ILE 420 N -0.24 1.95 0.36 -0.59 -1.09 0.50 -1.68 121.20 120.42 1jry s ILE 420 Ca 0.48 -1.04 -0.13 0.00 -2.23 0.00 0.00 60.65 57.73 1jry s ILE 420 Cb -0.28 -1.64 0.04 0.00 -1.58 0.00 0.00 42.46 39.00 1jry s ILE 420 CO 0.34 0.55 0.71 0.72 -1.23 0.00 0.00 174.94 176.02 1jry s PHE 421 N -0.36 0.29 0.00 3.97 -0.71 -0.78 -2.09 117.98 118.30 1jry s PHE 421 Ca 0.03 -0.84 0.00 0.00 -1.04 0.00 0.00 56.93 55.08 1jry s PHE 421 Cb -0.11 0.61 0.00 0.00 -1.21 0.00 0.00 43.02 42.31 1jry s PHE 421 CO 0.01 -1.43 0.00 -0.40 -1.34 0.00 0.00 175.22 172.07 1jry n ASP 422 N -1.27 1.52 0.17 1.98 3.85 -1.26 -0.21 116.55 121.34 1jry n ASP 422 Ca -0.06 -0.75 0.05 0.00 -0.71 0.00 0.00 54.79 53.33 1jry n ASP 422 Cb 0.60 0.00 0.23 0.00 -1.35 0.00 0.00 41.12 40.60 1jry n ASP 422 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1jry h ASP 423 N 0.00 0.00 -0.32 -1.12 3.45 -0.56 -1.57 116.42 116.30 1jry h ASP 423 Ca 0.00 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.41 1jry h ASP 423 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1jry h ASP 423 CO 0.00 0.39 -0.01 0.77 -1.57 0.00 0.00 179.24 178.82 1jry h SER 424 N 0.00 0.56 -0.14 6.45 4.64 -1.90 0.14 113.55 123.30 1jry h SER 424 Ca -0.00 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1jry h SER 424 Cb 1.08 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1jry h SER 424 CO 0.05 0.74 0.09 0.58 -0.87 0.00 0.00 176.83 177.42 1jry h VAL 425 N 0.36 1.05 -0.12 0.95 2.07 -1.86 -2.42 116.25 116.28 1jry h VAL 425 Ca 0.09 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1jry h VAL 425 Cb 0.46 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1jry h VAL 425 CO 0.02 0.05 -0.19 -0.09 0.02 0.00 0.00 177.57 177.38 1jry h ARG 426 N 0.17 -0.23 0.00 1.57 2.43 -0.91 -2.36 114.38 115.06 1jry h ARG 426 Ca 0.05 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1jry h ARG 426 Cb -0.00 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1jry h ARG 426 CO -0.01 -0.15 -0.06 0.87 -1.51 0.00 0.00 179.97 179.11 1jry h LYS 427 N -0.24 0.00 0.00 0.20 1.57 -0.65 -2.42 116.57 115.03 1jry h LYS 427 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1jry h LYS 427 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1jry h LYS 427 CO -0.26 0.06 0.00 -1.13 -0.57 0.00 0.00 179.45 177.55 1jry n SER 428 N -4.16 0.57 -3.60 0.86 3.41 -0.90 -4.56 113.62 105.23 1jry n SER 428 Ca -0.03 0.57 -0.29 0.00 -0.26 0.00 0.00 58.87 58.86 1jry n SER 428 Cb 0.14 -0.71 -0.15 0.00 -0.26 0.00 0.00 64.21 63.23 1jry n SER 428 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1jry s LEU 429 N -4.09 1.11 0.53 1.04 2.96 -0.91 -4.46 118.68 114.86 1jry s LEU 429 Ca 0.10 -1.46 0.24 0.00 -0.22 0.00 0.00 54.13 52.80 1jry s LEU 429 Cb 0.13 -0.52 1.48 0.00 0.50 0.00 0.00 46.19 47.78 1jry s LEU 429 CO 0.54 -0.42 2.13 0.77 -1.32 0.00 0.00 176.35 178.05 1jry h SER 430 N 8.22 0.00 -0.75 3.68 4.64 -0.97 -0.51 113.55 127.87 1jry h SER 430 Ca -0.17 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.33 1jry h SER 430 Cb 1.01 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.05 1jry h SER 430 CO 0.44 0.08 0.51 0.50 -0.87 0.00 0.00 176.83 177.49 1jry h LYS 431 N 0.00 0.24 -0.20 4.77 1.63 -1.74 -0.23 116.57 121.04 1jry h LYS 431 Ca -0.00 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.84 1jry h LYS 431 Cb 0.18 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1jry h LYS 431 CO 0.01 0.16 0.14 0.82 -3.45 0.00 0.00 179.45 177.13 1jry h ILE 432 N 0.25 0.92 0.00 2.00 2.04 -1.38 0.23 117.51 121.57 1jry h ILE 432 Ca 0.37 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 66.20 1jry h ILE 432 Cb 1.08 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1jry h ILE 432 CO -0.09 0.01 -0.10 0.44 0.00 0.00 0.00 178.15 178.41 1jry h ASP 433 N 0.03 0.00 -0.72 1.72 3.32 -1.22 -0.30 116.42 119.25 1jry h ASP 433 Ca 0.09 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1jry h ASP 433 Cb 0.33 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1jry h ASP 433 CO -0.00 0.10 0.25 0.11 -1.72 0.00 0.00 179.24 177.98 1jry h LYS 434 N 0.00 1.10 -0.17 3.56 1.79 -1.03 -0.33 116.57 121.50 1jry h LYS 434 Ca -0.00 -0.22 -0.12 0.00 -2.18 0.00 0.00 60.65 58.13 1jry h LYS 434 Cb 0.20 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1jry h LYS 434 CO 0.01 0.93 -0.40 1.88 -1.08 0.00 0.00 179.45 180.79 1jry h TYR 435 N 1.05 0.44 -0.31 -1.35 -1.99 -1.10 -1.49 116.97 112.21 1jry h TYR 435 Ca 0.24 -0.12 -0.02 0.00 2.00 0.00 0.00 58.73 60.83 1jry h TYR 435 Cb 0.26 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 1jry h TYR 435 CO 0.02 0.72 0.12 0.82 -0.00 0.00 0.00 178.16 179.84 1jry h ILE 436 N 0.31 1.19 -0.44 -2.88 2.04 -1.08 -1.99 117.51 114.66 1jry h ILE 436 Ca 0.03 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 1jry h ILE 436 Cb 0.84 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1jry h ILE 436 CO 0.07 0.20 0.06 1.23 0.00 0.00 0.00 178.15 179.71 1jry h GLY 437 N 0.36 0.73 2.00 5.37 0.00 -0.86 0.12 103.07 110.78 1jry h GLY 437 Ca 0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1jry h GLY 437 CO -0.01 0.40 -0.05 -2.00 0.00 0.00 0.00 176.54 174.88 1jry h LEU 438 N 0.65 0.00 0.00 3.11 5.85 -0.98 -3.47 115.31 120.48 1jry h LEU 438 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1jry h LEU 438 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1jry h LEU 438 CO 0.00 0.05 0.00 0.61 -0.34 0.00 0.00 178.44 178.77 1jry n GLY 439 N -0.57 0.80 0.87 3.75 0.00 0.03 -4.97 105.19 105.10 1jry n GLY 439 Ca -0.01 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.89 1jry n GLY 439 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jry n VAL 440 N -2.36 1.14 -3.49 1.61 0.24 -0.80 -4.68 118.33 109.99 1jry n VAL 440 Ca 0.00 -1.08 -0.27 0.00 -2.04 0.00 0.00 64.34 60.96 1jry n VAL 440 Cb 0.00 0.42 -0.09 0.00 -1.47 0.00 0.00 33.84 32.70 1jry n VAL 440 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jry n ALA 441 N 0.72 3.58 -1.61 2.33 0.00 -1.24 -4.40 120.51 119.89 1jry n ALA 441 Ca 0.16 -4.39 -0.37 0.00 0.00 0.00 0.00 53.44 48.83 1jry n ALA 441 Cb 0.53 -0.91 0.06 0.00 0.00 0.00 0.00 19.45 19.13 1jry n ALA 441 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jry n PRO 442 N 1.32 0.85 -4.19 0.00 -0.04 -1.11 -4.64 135.00 127.19 1jry n PRO 442 Ca 0.26 0.33 -0.11 0.00 -0.04 0.00 0.00 63.50 63.94 1jry n PRO 442 Cb 0.42 -2.16 -0.10 0.00 -0.04 0.00 0.00 33.50 31.62 1jry n PRO 442 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1jry s THR 443 N -1.53 0.16 -0.10 0.52 -1.32 -1.26 -1.49 115.64 110.62 1jry s THR 443 Ca 0.77 -1.95 -0.32 0.00 -1.21 0.00 0.00 61.69 58.98 1jry s THR 443 Cb -0.41 -2.24 0.12 0.00 -1.51 0.00 0.00 72.50 68.46 1jry s THR 443 CO 0.46 -0.29 1.05 0.00 -2.21 0.00 0.00 174.62 173.63 1jry s ALA 444 N -4.02 -1.95 -2.12 11.08 0.00 -0.92 -4.91 121.76 118.91 1jry s ALA 444 Ca 0.30 1.33 0.15 0.00 0.00 0.00 0.00 51.96 53.74 1jry s ALA 444 Cb 0.07 0.07 0.54 0.00 0.00 0.00 0.00 23.12 23.80 1jry s ALA 444 CO 0.06 -0.61 1.40 -0.40 0.00 0.00 0.00 175.76 176.21 1jry n ASP 445 N -0.10 1.61 -3.83 0.00 5.68 -1.26 -1.46 116.55 117.20 1jry n ASP 445 Ca -0.05 -1.84 -0.12 0.00 -0.50 0.00 0.00 54.79 52.29 1jry n ASP 445 Cb 0.60 -0.15 -0.09 0.00 -1.14 0.00 0.00 41.12 40.33 1jry n ASP 445 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1jry s SER 446 N -1.29 -0.05 0.35 -1.12 1.04 -1.26 -4.85 113.70 106.52 1jry s SER 446 Ca 0.27 -0.11 0.13 0.00 0.48 0.00 0.00 55.95 56.72 1jry s SER 446 Cb 0.14 0.24 0.63 0.00 0.10 0.00 0.00 66.02 67.14 1jry s SER 446 CO 0.20 -0.40 1.77 -0.07 0.98 0.00 0.00 173.24 175.72 1jry h LEU 447 N 4.11 0.00 -0.55 2.42 3.38 -1.91 -1.29 115.31 121.46 1jry h LEU 447 Ca -0.30 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1jry h LEU 447 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1jry h LEU 447 CO 0.40 0.44 0.15 0.58 0.09 0.00 0.00 178.44 180.10 1jry h VAL 448 N 0.00 1.24 -0.15 1.22 2.07 -1.97 0.25 116.25 118.91 1jry h VAL 448 Ca -0.00 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1jry h VAL 448 Cb 0.79 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1jry h VAL 448 CO 0.06 0.31 0.06 0.11 0.02 0.00 0.00 177.57 178.13 1jry h LYS 449 N 0.78 0.23 -0.41 1.57 1.57 -1.87 -1.28 116.57 117.15 1jry h LYS 449 Ca 0.17 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1jry h LYS 449 Cb 0.32 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1jry h LYS 449 CO -0.00 0.32 0.25 1.25 -0.57 0.00 0.00 179.45 180.69 1jry h LEU 450 N 0.09 0.49 -0.60 2.94 6.46 -1.06 0.14 115.31 123.78 1jry h LEU 450 Ca 0.05 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1jry h LEU 450 Cb 0.17 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 1jry h LEU 450 CO -0.00 0.40 0.28 1.23 -0.62 0.00 0.00 178.44 179.73 1jry h GLY 451 N 0.54 0.93 0.51 3.75 0.00 -0.87 -0.32 103.07 107.61 1jry h GLY 451 Ca 0.15 -0.47 0.09 0.00 0.00 0.00 0.00 47.33 47.09 1jry h GLY 451 CO -0.03 0.45 0.40 1.70 0.00 0.00 0.00 176.54 179.06 1jry h LYS 452 N 0.82 0.66 -0.31 4.80 1.63 -0.67 0.13 116.57 123.63 1jry h LYS 452 Ca 0.20 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.96 1jry h LYS 452 Cb 0.14 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1jry h LYS 452 CO -0.02 0.44 0.15 0.52 -3.45 0.00 0.00 179.45 177.09 1jry h MET 453 N 0.68 0.44 -0.02 1.90 2.86 0.33 -3.27 114.93 117.84 1jry h MET 453 Ca 0.36 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1jry h MET 453 Cb 0.35 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1jry h MET 453 CO -0.25 0.40 0.00 0.39 1.06 0.00 0.00 176.91 178.50 1jry n GLU 454 N -4.79 1.84 -2.28 1.72 -0.58 -0.23 -4.95 120.64 111.37 1jry n GLU 454 Ca -0.02 -1.22 -0.01 0.00 -0.42 0.00 0.00 57.16 55.49 1jry n GLU 454 Cb 0.09 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1jry n GLU 454 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jry n GLY 455 N 1.22 0.57 3.26 0.62 0.00 0.29 -5.05 105.19 106.09 1jry n GLY 455 Ca 0.18 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 1jry n GLY 455 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jry s ILE 456 N -2.51 2.22 -0.21 -0.61 1.01 -0.25 -4.90 121.20 115.95 1jry s ILE 456 Ca 0.02 -0.97 -0.34 0.00 0.00 0.00 0.00 60.65 59.35 1jry s ILE 456 Cb -0.01 -1.85 -0.11 0.00 0.01 0.00 0.00 42.46 40.50 1jry s ILE 456 CO 0.02 0.56 2.02 -0.67 0.00 0.00 0.00 174.94 176.87 1jry n ASP 457 N 3.36 2.91 -0.17 3.58 -0.08 -1.20 -3.92 116.55 121.03 1jry n ASP 457 Ca -0.18 0.69 -0.07 0.00 -1.51 0.00 0.00 54.79 53.71 1jry n ASP 457 Cb 0.53 -1.34 0.08 0.00 2.34 0.00 0.00 41.12 42.72 1jry n ASP 457 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1jry h GLY 458 N 10.95 1.04 1.14 0.27 0.00 -1.85 -0.86 103.07 113.76 1jry h GLY 458 Ca -0.40 -0.74 -0.18 0.00 0.00 0.00 0.00 47.33 46.00 1jry h GLY 458 CO 0.97 0.68 -0.52 0.50 0.00 0.00 0.00 176.54 178.17 1jry h LYS 459 N 0.88 0.89 -0.18 4.80 1.57 -1.91 -0.04 116.57 122.58 1jry h LYS 459 Ca 0.16 -0.55 -0.04 0.00 -1.87 0.00 0.00 60.65 58.35 1jry h LYS 459 Cb 0.53 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1jry h LYS 459 CO 0.03 1.19 -0.05 0.00 -0.57 0.00 0.00 179.45 180.04 1jry h ALA 460 N 0.69 0.24 -0.94 3.86 0.00 -1.83 -1.44 119.26 119.84 1jry h ALA 460 Ca 0.02 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 54.80 1jry h ALA 460 Cb 1.13 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 1jry h ALA 460 CO 0.12 0.03 0.56 1.25 0.00 0.00 0.00 179.25 181.20 1jry h LEU 461 N 0.05 0.79 -0.34 0.00 5.85 -1.08 0.66 115.31 121.23 1jry h LEU 461 Ca 0.04 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1jry h LEU 461 Cb 0.51 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1jry h LEU 461 CO 0.02 0.39 0.15 0.74 -0.34 0.00 0.00 178.44 179.40 1jry h THR 462 N 0.86 1.17 -0.25 1.05 2.02 -0.75 -1.35 112.91 115.66 1jry h THR 462 Ca 0.48 -0.52 -0.12 0.00 0.77 0.00 0.00 66.41 67.03 1jry h THR 462 Cb 0.54 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1jry h THR 462 CO -0.29 0.19 -0.34 -0.33 0.37 0.00 0.00 175.52 175.12 1jry h GLU 463 N 0.41 0.53 -0.82 6.66 3.07 -0.14 -1.45 114.58 122.83 1jry h GLU 463 Ca 0.12 -0.24 0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1jry h GLU 463 Cb 0.15 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.00 1jry h GLU 463 CO -0.01 0.80 0.53 1.15 -1.40 0.00 0.00 179.01 180.08 1jry h THR 464 N 0.45 1.16 -0.10 1.13 2.02 0.74 0.16 112.91 118.47 1jry h THR 464 Ca 0.05 -0.36 -0.21 0.00 0.77 0.00 0.00 66.41 66.66 1jry h THR 464 Cb 0.80 0.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1jry h THR 464 CO 0.07 0.19 -0.75 0.58 0.37 0.00 0.00 175.52 175.98 1jry h VAL 465 N 1.06 1.31 -0.84 3.16 2.07 -0.95 -0.53 116.25 121.54 1jry h VAL 465 Ca 0.32 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.84 1jry h VAL 465 Cb -0.05 2.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1jry h VAL 465 CO -0.09 0.62 0.53 0.00 0.02 0.00 0.00 177.57 178.65 1jry h ALA 466 N 0.48 1.06 -0.14 1.67 0.00 -1.08 0.68 119.26 121.93 1jry h ALA 466 Ca -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1jry h ALA 466 Cb 1.40 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1jry h ALA 466 CO 0.15 0.49 0.06 -0.09 0.00 0.00 0.00 179.25 179.87 1jry h ARG 467 N 1.14 0.21 -0.53 0.00 2.43 -0.74 -1.63 114.38 115.27 1jry h ARG 467 Ca 0.30 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.52 1jry h ARG 467 Cb -0.10 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.35 1jry h ARG 467 CO -0.06 0.30 0.16 -0.92 -1.51 0.00 0.00 179.97 177.94 1jry h TYR 468 N 0.08 0.28 -0.73 2.20 3.20 -0.51 -0.80 116.97 120.68 1jry h TYR 468 Ca 0.05 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1jry h TYR 468 Cb 0.17 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 1jry h TYR 468 CO -0.02 0.06 0.48 -0.91 -1.64 0.00 0.00 178.16 176.14 1jry h ASN 469 N 0.32 0.84 -0.71 -2.11 2.35 -0.63 0.98 115.58 116.61 1jry h ASN 469 Ca 0.26 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.92 1jry h ASN 469 Cb 0.32 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 1jry h ASN 469 CO -0.29 0.60 0.19 -1.28 -1.65 0.00 0.00 177.43 175.00 1jry h SER 470 N 0.99 1.07 -0.43 5.81 0.87 -0.42 -0.84 113.55 120.60 1jry h SER 470 Ca 0.27 -0.23 -0.10 0.00 -1.23 0.00 0.00 61.79 60.50 1jry h SER 470 Cb -0.11 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.55 1jry h SER 470 CO -0.06 1.02 -0.10 -0.07 -0.53 0.00 0.00 176.83 177.09 1jry h LEU 471 N 1.07 0.87 0.19 2.23 3.38 0.33 0.57 115.31 123.96 1jry h LEU 471 Ca 0.23 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1jry h LEU 471 Cb 0.35 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1jry h LEU 471 CO -0.00 0.99 -0.23 0.58 0.09 0.00 0.00 178.44 179.87 1jry h VAL 472 N 0.79 0.50 -0.72 1.22 2.07 -0.46 0.57 116.25 120.22 1jry h VAL 472 Ca 0.13 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 1jry h VAL 472 Cb 0.61 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1jry h VAL 472 CO 0.04 0.00 0.22 0.77 0.02 0.00 0.00 177.57 178.62 1jry h SER 473 N -0.47 1.04 0.65 0.57 4.64 -0.96 -1.12 113.55 117.91 1jry h SER 473 Ca 0.01 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1jry h SER 473 Cb 0.45 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1jry h SER 473 CO -0.08 0.97 0.00 -1.54 -0.87 0.00 0.00 176.83 175.31 1jry n SER 474 N -4.25 0.00 -0.52 4.97 3.41 0.17 -4.91 113.62 112.49 1jry n SER 474 Ca 0.06 -0.02 -0.07 0.00 -0.26 0.00 0.00 58.87 58.58 1jry n SER 474 Cb 0.23 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 1jry n SER 474 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jry n GLY 475 N 1.31 0.90 3.09 5.00 0.00 0.14 -5.02 105.19 110.60 1jry n GLY 475 Ca 0.13 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 1jry n GLY 475 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jry s LYS 476 N -2.58 0.24 -0.78 1.61 0.00 -0.91 -5.00 119.74 112.31 1jry s LYS 476 Ca 0.00 0.82 -0.20 0.00 0.00 0.00 0.00 55.97 56.59 1jry s LYS 476 Cb 0.00 0.02 0.11 0.00 0.00 0.00 0.00 37.83 37.96 1jry s LYS 476 CO 0.00 -0.32 1.00 0.34 0.00 0.00 0.00 175.35 176.37 1jry s ASP 477 N 2.51 6.40 0.04 0.03 2.15 -1.26 -4.75 116.67 121.79 1jry s ASP 477 Ca 0.01 -1.58 0.28 0.00 0.43 0.00 0.00 52.55 51.69 1jry s ASP 477 Cb -0.12 -2.39 1.00 0.00 -0.30 0.00 0.00 42.92 41.11 1jry s ASP 477 CO -0.11 -1.20 1.79 0.35 -0.17 0.00 0.00 175.17 175.82 1jry n THR 478 N 5.64 0.11 -0.01 1.71 -2.24 -1.26 -1.22 114.28 117.02 1jry n THR 478 Ca 0.09 -0.06 -0.04 0.00 -2.27 0.00 0.00 64.05 61.77 1jry n THR 478 Cb 0.47 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 1jry n THR 478 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1jry h ASP 479 N 0.00 -0.09 0.00 3.42 3.32 -2.00 -3.42 116.42 117.65 1jry h ASP 479 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1jry h ASP 479 Cb 0.55 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1jry h ASP 479 CO 0.00 0.47 0.00 0.49 -1.72 0.00 0.00 179.24 178.48 1jry n PHE 480 N -4.83 0.00 -2.44 4.55 3.01 -1.25 -5.02 117.46 111.48 1jry n PHE 480 Ca -0.03 -0.23 -0.21 0.00 1.01 0.00 0.00 57.45 57.99 1jry n PHE 480 Cb 0.11 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 39.55 1jry n PHE 480 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1jry n GLU 481 N -0.23 -1.89 -1.68 -1.08 -0.58 -0.35 -4.17 120.64 110.66 1jry n GLU 481 Ca 0.00 1.00 -0.44 0.00 -0.42 0.00 0.00 57.16 57.30 1jry n GLU 481 Cb 0.12 -5.68 -0.04 0.00 -0.57 0.00 0.00 31.44 25.27 1jry n GLU 481 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1jry n ARG 482 N -3.07 2.62 0.02 3.49 0.63 -1.26 -4.85 116.66 114.24 1jry n ARG 482 Ca -0.24 0.96 0.14 0.00 -0.92 0.00 0.00 57.85 57.78 1jry n ARG 482 Cb 0.68 -2.85 0.52 0.00 0.45 0.00 0.00 32.46 31.26 1jry n ARG 482 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1jry n PRO 483 N 6.37 0.06 -3.84 -0.14 -0.04 -1.26 -4.21 135.00 131.93 1jry n PRO 483 Ca 0.20 0.04 -0.25 0.00 -0.04 0.00 0.00 63.50 63.44 1jry n PRO 483 Cb 0.36 -1.56 -0.17 0.00 -0.04 0.00 0.00 33.50 32.09 1jry n PRO 483 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1jry s ASN 484 N -3.31 2.01 -0.46 3.54 3.84 -1.26 -5.05 114.94 114.25 1jry s ASN 484 Ca 0.13 -0.26 0.03 0.00 0.21 0.00 0.00 52.86 52.96 1jry s ASN 484 Cb 0.17 -0.67 0.14 0.00 -0.55 0.00 0.00 41.25 40.35 1jry s ASN 484 CO 0.57 -0.16 0.28 -0.76 -2.79 0.00 0.00 177.10 174.24 1jry s LEU 485 N 1.82 2.74 0.37 3.21 1.43 -1.26 -4.99 118.68 122.00 1jry s LEU 485 Ca 0.04 -2.80 0.20 0.00 -1.03 0.00 0.00 54.13 50.54 1jry s LEU 485 Cb -0.13 -1.02 0.22 0.00 0.03 0.00 0.00 46.19 45.30 1jry s LEU 485 CO -0.07 -0.24 1.53 1.55 0.23 0.00 0.00 176.35 179.35 1jry h PRO 486 N 6.46 0.00 -2.67 1.29 0.13 -1.90 -3.47 132.00 131.84 1jry h PRO 486 Ca 0.04 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.06 1jry h PRO 486 Cb 0.91 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.81 1jry h PRO 486 CO 0.49 0.20 -0.18 1.03 -0.23 0.00 0.00 178.00 179.31 1jry s ARG 487 N -3.11 0.57 0.20 0.86 0.52 -1.26 -5.05 118.95 111.68 1jry s ARG 487 Ca 0.06 0.49 -0.25 0.00 -0.52 0.00 0.00 55.73 55.51 1jry s ARG 487 Cb 0.06 0.28 -0.08 0.00 0.52 0.00 0.00 34.95 35.72 1jry s ARG 487 CO 0.70 -0.09 0.80 0.00 0.02 0.00 0.00 175.30 176.73 1jry s ALA 488 N -0.06 3.41 -1.20 2.13 0.00 -1.26 -4.96 121.76 119.82 1jry s ALA 488 Ca -0.02 0.38 -0.15 0.00 0.00 0.00 0.00 51.96 52.16 1jry s ALA 488 Cb -0.03 -2.99 0.14 0.00 0.00 0.00 0.00 23.12 20.25 1jry s ALA 488 CO 0.02 0.28 1.48 -0.51 0.00 0.00 0.00 175.76 177.02 1jry s LEU 489 N -1.35 4.76 0.00 0.00 1.43 -1.26 -4.54 118.68 117.72 1jry s LEU 489 Ca 0.39 -2.78 0.00 0.00 -1.03 0.00 0.00 54.13 50.70 1jry s LEU 489 Cb -0.22 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.56 1jry s LEU 489 CO 0.26 -0.87 0.33 -0.46 0.23 0.00 0.00 176.35 175.84 1jry n ASN 490 N 6.36 0.00 -4.49 2.29 2.04 -1.26 -4.89 115.26 115.31 1jry n ASN 490 Ca 0.38 -1.09 -0.35 0.00 -0.44 0.00 0.00 54.58 53.08 1jry n ASN 490 Cb 0.44 -0.02 -0.12 0.00 -2.53 0.00 0.00 39.78 37.55 1jry n ASN 490 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 1jry s GLU 491 N 0.00 3.69 4.99 -3.83 2.12 -1.26 -5.04 118.70 119.38 1jry s GLU 491 Ca 0.00 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.85 1jry s GLU 491 Cb 0.00 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.25 1jry s GLU 491 CO 0.00 0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 1jry n GLY 492 N 4.19 2.33 3.93 -1.50 0.00 -1.26 -0.78 105.19 112.10 1jry n GLY 492 Ca -0.17 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 1jry n GLY 492 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jry s ASN 493 N -4.00 3.98 0.08 1.61 0.01 -1.26 -4.77 114.94 110.58 1jry s ASN 493 Ca 0.00 0.43 0.08 0.00 -0.71 0.00 0.00 52.86 52.66 1jry s ASN 493 Cb 0.00 -0.75 -0.04 0.00 0.41 0.00 0.00 41.25 40.87 1jry s ASN 493 CO 0.00 -2.19 -0.19 -0.31 -1.51 0.00 0.00 177.10 172.91 1jry s TYR 494 N -3.62 2.53 0.07 2.20 2.02 -0.53 -2.34 117.35 117.68 1jry s TYR 494 Ca 0.67 -0.27 0.05 0.00 -0.37 0.00 0.00 57.07 57.15 1jry s TYR 494 Cb -0.08 -1.40 -0.03 0.00 -0.40 0.00 0.00 41.96 40.06 1jry s TYR 494 CO 0.50 0.31 -0.14 0.71 -1.57 0.00 0.00 175.55 175.36 1jry s TYR 495 N -1.03 1.19 0.01 2.71 2.02 0.71 -2.18 117.35 120.79 1jry s TYR 495 Ca 0.16 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 1jry s TYR 495 Cb -0.10 -0.68 -0.01 0.00 -0.40 0.00 0.00 41.96 40.77 1jry s TYR 495 CO 0.07 0.05 -0.08 0.00 -1.57 0.00 0.00 175.55 174.02 1jry s ALA 496 N -1.21 0.66 -0.14 3.71 0.00 -0.56 -1.86 121.76 122.36 1jry s ALA 496 Ca -0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1jry s ALA 496 Cb -0.10 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.94 1jry s ALA 496 CO 0.02 0.13 0.01 0.42 0.00 0.00 0.00 175.76 176.34 1jry s ILE 497 N -0.44 0.54 0.03 0.00 1.01 -0.67 -2.77 121.20 118.89 1jry s ILE 497 Ca 0.01 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 1jry s ILE 497 Cb -0.05 -0.86 -0.06 0.00 0.01 0.00 0.00 42.46 41.51 1jry s ILE 497 CO 0.00 0.03 1.33 -0.70 0.00 0.00 0.00 174.94 175.60 1jry s GLU 498 N 1.88 4.33 0.07 2.79 2.12 -1.26 -0.47 118.70 128.15 1jry s GLU 498 Ca 0.02 1.90 0.04 0.00 0.36 0.00 0.00 54.97 57.29 1jry s GLU 498 Cb -0.15 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 1jry s GLU 498 CO -0.07 -0.46 -0.11 0.14 -0.54 0.00 0.00 175.26 174.22 1jry s VAL 499 N 1.85 0.88 0.05 3.70 -7.23 0.81 -1.22 120.40 119.24 1jry s VAL 499 Ca 0.62 -1.33 -0.18 0.00 -1.81 0.00 0.00 61.98 59.27 1jry s VAL 499 Cb -0.31 -1.01 0.04 0.00 0.56 0.00 0.00 36.38 35.66 1jry s VAL 499 CO 0.27 -0.37 0.42 0.28 -0.31 0.00 0.00 175.10 175.39 1jry s THR 500 N -1.65 0.05 0.52 5.32 -1.32 -0.66 -0.48 115.64 117.42 1jry s THR 500 Ca -0.02 -0.45 -0.22 0.00 -1.21 0.00 0.00 61.69 59.79 1jry s THR 500 Cb -0.08 -0.98 -0.06 0.00 -1.51 0.00 0.00 72.50 69.87 1jry s THR 500 CO 0.01 -0.25 1.23 -2.84 -2.21 0.00 0.00 174.62 170.56 1jry s PRO 501 N -2.63 3.40 0.02 7.08 0.02 -0.98 -0.81 135.00 141.10 1jry s PRO 501 Ca -0.04 1.91 -0.03 0.00 0.02 0.00 0.00 61.00 62.85 1jry s PRO 501 Cb -0.00 -2.24 -0.01 0.00 0.02 0.00 0.00 34.50 32.26 1jry s PRO 501 CO -0.03 -0.88 0.03 0.20 -0.33 0.00 0.00 177.00 175.99 1jry s GLY 502 N -1.32 0.19 0.05 0.52 0.00 0.32 -4.71 107.32 102.37 1jry s GLY 502 Ca 0.69 -0.50 -0.31 0.00 0.00 0.00 0.00 44.72 44.60 1jry s GLY 502 CO 0.38 -0.60 1.41 0.14 0.00 0.00 0.00 173.10 174.42 1jry s VAL 503 N -1.77 3.53 0.00 1.40 1.01 0.32 0.32 120.40 125.20 1jry s VAL 503 Ca -0.13 1.01 0.00 0.00 0.00 0.00 0.00 61.98 62.86 1jry s VAL 503 Cb -0.07 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1jry s VAL 503 CO -0.01 0.03 0.00 1.57 0.00 0.00 0.00 175.10 176.69 1jry n HIS 504 N 4.81 0.00 -3.86 5.22 -0.00 -0.03 -1.35 115.22 120.02 1jry n HIS 504 Ca 0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.73 1jry n HIS 504 Cb 0.43 0.13 -0.11 0.00 -0.00 0.00 0.00 29.99 30.44 1jry n HIS 504 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1jry s HIS 505 N -1.79 -0.02 -0.39 1.57 5.04 -1.10 -4.79 115.29 113.80 1jry s HIS 505 Ca 0.00 0.02 -0.07 0.00 -1.54 0.00 0.00 55.06 53.48 1jry s HIS 505 Cb 0.00 -0.02 0.08 0.00 0.04 0.00 0.00 32.58 32.67 1jry s HIS 505 CO 0.00 -0.22 0.20 0.95 -2.34 0.00 0.00 174.74 173.33 1jry s THR 506 N -0.93 3.86 0.30 0.89 -4.23 -1.26 -0.51 115.64 113.76 1jry s THR 506 Ca -0.10 -1.48 0.31 0.00 -1.18 0.00 0.00 61.69 59.25 1jry s THR 506 Cb -0.06 -3.37 0.34 0.00 1.34 0.00 0.00 72.50 70.75 1jry s THR 506 CO 0.01 -0.45 2.04 0.24 -0.54 0.00 0.00 174.62 175.93 1jry h MET 507 N 8.27 0.00 -7.83 3.99 2.86 -1.70 -3.45 114.93 117.08 1jry h MET 507 Ca -0.21 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 56.99 1jry h MET 507 Cb 1.07 0.00 0.17 0.00 0.06 0.00 0.00 31.60 32.91 1jry h MET 507 CO 0.70 0.08 0.41 0.20 1.06 0.00 0.00 176.91 179.36 1jry s GLY 508 N -4.20 1.82 0.00 8.32 0.00 -1.13 -4.11 107.32 108.02 1jry s GLY 508 Ca -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.35 1jry s GLY 508 CO 0.55 -0.54 0.00 0.61 0.00 0.00 0.00 173.10 173.73 1jry n GLY 509 N -3.80 -0.15 3.76 0.20 0.00 -0.57 -4.28 105.19 100.35 1jry n GLY 509 Ca 0.17 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1jry n GLY 509 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jry s VAL 510 N -3.11 2.86 0.06 1.61 1.01 0.10 -0.44 120.40 122.50 1jry s VAL 510 Ca 0.00 0.84 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 1jry s VAL 510 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1jry s VAL 510 CO 0.00 0.19 1.04 -0.32 0.00 0.00 0.00 175.10 176.01 1jry s MET 511 N -1.48 4.56 0.11 2.72 1.75 0.11 -0.94 119.30 126.13 1jry s MET 511 Ca 0.50 1.55 0.04 0.00 -1.25 0.00 0.00 55.69 56.53 1jry s MET 511 Cb -0.39 -3.39 -0.04 0.00 2.84 0.00 0.00 34.83 33.85 1jry s MET 511 CO 0.49 -0.03 -0.10 0.96 -0.65 0.00 0.00 175.02 175.69 1jry s ILE 512 N 0.66 1.03 0.18 10.11 -4.36 -1.26 -1.62 121.20 125.94 1jry s ILE 512 Ca 0.52 -1.77 -0.00 0.00 -0.26 0.00 0.00 60.65 59.14 1jry s ILE 512 Cb -0.25 -1.52 0.04 0.00 1.25 0.00 0.00 42.46 41.98 1jry s ILE 512 CO 0.30 -0.61 0.24 -0.90 0.24 0.00 0.00 174.94 174.21 1jry n ASP 513 N 0.33 0.32 0.00 4.36 5.68 -0.41 -4.88 116.55 121.96 1jry n ASP 513 Ca -0.14 -1.27 0.08 0.00 -0.50 0.00 0.00 54.79 52.95 1jry n ASP 513 Cb 0.59 -0.16 0.39 0.00 -1.14 0.00 0.00 41.12 40.80 1jry n ASP 513 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1jry n THR 514 N -1.75 0.54 -0.29 2.12 -2.24 -1.26 -1.01 114.28 110.40 1jry n THR 514 Ca 0.04 0.14 0.09 0.00 -2.27 0.00 0.00 64.05 62.05 1jry n THR 514 Cb 0.14 -0.88 0.25 0.00 -2.10 0.00 0.00 70.33 67.74 1jry n THR 514 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1jry n LYS 515 N -1.28 2.80 -1.63 -0.78 4.76 -1.26 -4.93 118.16 115.84 1jry n LYS 515 Ca 0.07 -2.40 -0.11 0.00 -2.87 0.00 0.00 58.31 53.01 1jry n LYS 515 Cb 0.12 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 1jry n LYS 515 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jry n ALA 516 N 1.15 -0.22 -2.58 7.82 0.00 -0.18 -4.65 120.51 121.86 1jry n ALA 516 Ca 0.19 0.15 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 1jry n ALA 516 Cb 0.54 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 1jry n ALA 516 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jry s GLU 517 N -3.49 4.51 0.21 0.00 2.02 -1.26 -2.03 118.70 118.67 1jry s GLU 517 Ca 0.00 1.14 -0.30 0.00 0.02 0.00 0.00 54.97 55.83 1jry s GLU 517 Cb 0.00 -3.42 -0.09 0.00 0.10 0.00 0.00 34.13 30.72 1jry s GLU 517 CO 0.00 0.11 1.31 0.08 0.02 0.00 0.00 175.26 176.78 1jry s VAL 518 N 0.53 3.17 0.19 2.63 1.01 -0.23 -1.28 120.40 126.41 1jry s VAL 518 Ca 0.43 0.98 0.10 0.00 0.00 0.00 0.00 61.98 63.49 1jry s VAL 518 Cb -0.20 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1jry s VAL 518 CO 0.23 0.15 -0.18 -0.04 0.00 0.00 0.00 175.10 175.27 1jry s MET 519 N -0.27 1.76 0.56 2.72 -1.94 -0.64 -0.93 119.30 120.56 1jry s MET 519 Ca 0.56 -1.41 -0.03 0.00 -1.71 0.00 0.00 55.69 53.10 1jry s MET 519 Cb -0.37 -1.99 0.12 0.00 2.01 0.00 0.00 34.83 34.60 1jry s MET 519 CO 0.39 0.42 0.77 0.27 -0.01 0.00 0.00 175.02 176.86 1jry n ASN 520 N 0.17 0.76 0.28 3.03 0.23 -0.16 -1.29 115.26 118.29 1jry n ASN 520 Ca -0.12 -1.70 0.15 0.00 -0.53 0.00 0.00 54.58 52.38 1jry n ASN 520 Cb 0.56 -0.52 0.84 0.00 -2.08 0.00 0.00 39.78 38.58 1jry n ASN 520 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jry h ALA 521 N -0.86 1.30 -0.12 -2.53 0.00 -1.90 0.24 119.26 115.39 1jry h ALA 521 Ca -0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jry h ALA 521 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1jry h ALA 521 CO 0.24 0.08 0.00 1.63 0.00 0.00 0.00 179.25 181.20 1jry n LYS 522 N -3.59 1.44 -2.68 0.00 4.01 -1.26 -4.90 118.16 111.18 1jry n LYS 522 Ca -0.02 -0.66 -0.13 0.00 -0.51 0.00 0.00 58.31 56.98 1jry n LYS 522 Cb 0.18 -1.31 0.02 0.00 -0.51 0.00 0.00 35.03 33.41 1jry n LYS 522 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1jry n LYS 523 N -0.08 -2.80 -4.08 1.97 5.02 0.86 -5.01 118.16 114.04 1jry n LYS 523 Ca 0.13 0.55 -0.35 0.00 -2.02 0.00 0.00 58.31 56.63 1jry n LYS 523 Cb 0.21 -4.66 -0.09 0.00 -0.02 0.00 0.00 35.03 30.47 1jry n LYS 523 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jry s GLN 524 N -5.18 3.63 0.43 1.97 -0.21 -1.26 -4.83 119.66 114.21 1jry s GLN 524 Ca 0.17 -0.32 -0.26 0.00 0.02 0.00 0.00 55.36 54.97 1jry s GLN 524 Cb -0.07 -3.10 -0.09 0.00 1.00 0.00 0.00 33.01 30.75 1jry s GLN 524 CO 0.21 0.48 1.42 0.08 -2.12 0.00 0.00 175.29 175.36 1jry s VAL 525 N -0.22 2.12 -0.41 1.09 1.01 -1.26 -0.98 120.40 121.75 1jry s VAL 525 Ca 0.08 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 1jry s VAL 525 Cb -0.12 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.21 1jry s VAL 525 CO 0.01 0.02 0.30 -0.51 0.00 0.00 0.00 175.10 174.92 1jry s ILE 526 N -1.19 5.25 0.23 2.22 1.10 -0.11 -4.88 121.20 123.82 1jry s ILE 526 Ca 0.59 -0.66 -0.32 0.00 -0.51 0.00 0.00 60.65 59.75 1jry s ILE 526 Cb -0.44 -3.93 -0.12 0.00 0.15 0.00 0.00 42.46 38.12 1jry s ILE 526 CO 0.57 -0.31 1.61 -2.65 -2.11 0.00 0.00 174.94 172.04 1jry n PRO 527 N 5.16 2.53 0.00 3.50 -0.02 -1.26 -2.65 135.00 142.25 1jry n PRO 527 Ca -0.11 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1jry n PRO 527 Cb 0.47 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 1jry n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jry n GLY 528 N 3.02 1.91 3.43 -1.23 0.00 -1.26 -1.42 105.19 109.64 1jry n GLY 528 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1jry n GLY 528 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jry s LEU 529 N 0.00 3.22 0.22 0.99 2.96 -1.09 -0.16 118.68 124.82 1jry s LEU 529 Ca 0.00 -0.22 0.10 0.00 -0.22 0.00 0.00 54.13 53.79 1jry s LEU 529 Cb 0.00 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 1jry s LEU 529 CO 0.00 0.05 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.58 1jry s TYR 530 N 1.08 2.03 0.01 5.38 1.51 -0.12 -1.07 117.35 126.17 1jry s TYR 530 Ca 0.02 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.66 1jry s TYR 530 Cb -0.14 -0.95 -0.01 0.00 -0.11 0.00 0.00 41.96 40.75 1jry s TYR 530 CO 0.01 0.49 -0.04 0.20 -1.11 0.00 0.00 175.55 175.11 1jry s GLY 531 N -3.08 0.20 -0.08 0.71 0.00 -0.86 -1.13 107.32 103.08 1jry s GLY 531 Ca 0.23 -0.25 -0.07 0.00 0.00 0.00 0.00 44.72 44.63 1jry s GLY 531 CO 0.10 -0.25 0.20 0.00 0.00 0.00 0.00 173.10 173.16 1jry s ALA 532 N -0.36 -0.49 0.00 3.20 0.00 -0.62 -4.76 121.76 118.73 1jry s ALA 532 Ca -0.02 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1jry s ALA 532 Cb -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.72 1jry s ALA 532 CO -0.00 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.06 1jry n GLY 533 N 3.15 -1.82 0.18 0.00 0.00 -1.26 -4.29 105.19 101.15 1jry n GLY 533 Ca -0.14 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.08 1jry n GLY 533 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jry h GLU 534 N 0.00 0.00 0.00 1.61 4.81 -1.92 0.15 114.58 119.23 1jry h GLU 534 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jry h GLU 534 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1jry h GLU 534 CO 0.00 0.00 0.00 -0.24 -0.73 0.00 0.00 179.01 178.04 1jry h VAL 535 N 0.00 0.00 -2.96 0.32 3.04 -1.72 -3.36 116.25 111.56 1jry h VAL 535 Ca 0.00 -0.29 -0.48 0.00 -1.01 0.00 0.00 66.70 64.92 1jry h VAL 535 Cb 0.19 1.07 0.01 0.00 -2.01 0.00 0.00 31.29 30.55 1jry h VAL 535 CO 0.00 0.00 -0.14 0.42 -1.01 0.00 0.00 177.57 176.84 1jry s THR 536 N -3.39 5.07 0.25 3.17 -4.23 0.04 0.02 115.64 116.56 1jry s THR 536 Ca 0.04 -0.31 0.11 0.00 -1.18 0.00 0.00 61.69 60.34 1jry s THR 536 Cb 0.09 -3.85 -0.05 0.00 1.34 0.00 0.00 72.50 70.03 1jry s THR 536 CO 0.42 -0.59 -0.19 -0.83 -0.54 0.00 0.00 174.62 172.89 1jry s GLY 537 N -3.98 1.73 0.00 3.99 0.00 -0.12 -4.03 107.32 104.92 1jry s GLY 537 Ca 0.41 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.35 1jry s GLY 537 CO 0.37 -1.86 0.00 0.61 0.00 0.00 0.00 173.10 172.22 1jry n GLY 538 N -0.42 1.53 0.08 0.20 0.00 -1.26 -4.47 105.19 100.85 1jry n GLY 538 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1jry n GLY 538 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jry h VAL 539 N 0.00 1.45 -0.06 1.61 2.07 -1.87 0.83 116.25 120.28 1jry h VAL 539 Ca 0.00 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1jry h VAL 539 Cb 0.00 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1jry h VAL 539 CO 0.00 0.38 0.00 1.41 0.02 0.00 0.00 177.57 179.38 1jry n HIS 540 N -4.71 0.04 -1.02 1.57 -0.00 -1.26 -4.64 115.22 105.20 1jry n HIS 540 Ca -0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 1jry n HIS 540 Cb 0.34 -0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.33 1jry n HIS 540 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1jry n GLY 541 N 1.18 3.30 0.21 -1.41 0.00 -1.26 -2.64 105.19 104.57 1jry n GLY 541 Ca 0.13 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1jry n GLY 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jry n ALA 542 N 11.27 3.11 -3.49 4.61 0.00 -0.76 -4.78 120.51 130.47 1jry n ALA 542 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1jry n ALA 542 Cb 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 1jry n ALA 542 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1jry s ASN 543 N -2.56 -0.47 0.28 0.00 2.47 -1.08 -4.82 114.94 108.75 1jry s ASN 543 Ca 0.23 0.69 -0.13 0.00 0.42 0.00 0.00 52.86 54.07 1jry s ASN 543 Cb 0.19 1.40 -0.08 0.00 -1.45 0.00 0.00 41.25 41.31 1jry s ASN 543 CO 0.54 -0.10 0.66 -0.60 -3.72 0.00 0.00 177.10 173.88 1jry s ARG 544 N 1.91 3.94 0.11 0.43 3.52 -1.25 -3.19 118.95 124.42 1jry s ARG 544 Ca -0.05 0.53 -0.21 0.00 -0.13 0.00 0.00 55.73 55.86 1jry s ARG 544 Cb -0.04 -2.54 -0.07 0.00 -1.56 0.00 0.00 34.95 30.73 1jry s ARG 544 CO -0.16 0.23 0.65 -0.51 -0.81 0.00 0.00 175.30 174.70 1jry s LEU 545 N -2.85 4.55 0.21 -0.88 1.43 -1.26 -4.74 118.68 115.14 1jry s LEU 545 Ca 0.51 1.40 -0.32 0.00 -1.03 0.00 0.00 54.13 54.69 1jry s LEU 545 Cb -0.11 -3.05 -0.13 0.00 0.03 0.00 0.00 46.19 42.93 1jry s LEU 545 CO 0.19 0.25 1.56 0.61 0.23 0.00 0.00 176.35 179.19 1jry n GLY 546 N 1.65 1.14 1.24 -3.19 0.00 -1.26 -1.15 105.19 103.63 1jry n GLY 546 Ca -0.09 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1jry n GLY 546 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jry n GLY 547 N 2.97 1.23 0.12 -0.02 0.00 -1.26 -4.76 105.19 103.48 1jry n GLY 547 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1jry n GLY 547 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jry h ASN 548 N 0.00 0.00 0.04 1.61 2.35 -1.40 0.19 115.58 118.36 1jry h ASN 548 Ca 0.00 -0.07 -0.22 0.00 -0.55 0.00 0.00 56.30 55.45 1jry h ASN 548 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 1jry h ASN 548 CO 0.00 0.04 -0.83 0.00 -1.65 0.00 0.00 177.43 174.98 1jry h ALA 549 N 2.24 0.36 -0.44 -0.83 0.00 -1.90 -1.30 119.26 117.39 1jry h ALA 549 Ca 0.00 -0.63 -0.11 0.00 0.00 0.00 0.00 54.91 54.17 1jry h ALA 549 Cb 0.88 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1jry h ALA 549 CO 0.00 0.72 -0.17 0.82 0.00 0.00 0.00 179.25 180.62 1jry h ILE 550 N 0.41 1.27 -0.39 0.00 1.08 -1.82 -0.72 117.51 117.34 1jry h ILE 550 Ca -0.06 -1.28 0.00 0.00 -0.39 0.00 0.00 64.86 63.12 1jry h ILE 550 Cb 1.45 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 36.30 1jry h ILE 550 CO 0.16 0.44 0.26 -1.28 -0.69 0.00 0.00 178.15 177.04 1jry h SER 551 N 0.74 0.45 -0.35 1.72 0.87 -1.52 -2.94 113.55 112.51 1jry h SER 551 Ca 0.11 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1jry h SER 551 Cb 0.69 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 1jry h SER 551 CO 0.05 0.33 0.22 -0.78 -0.53 0.00 0.00 176.83 176.12 1jry h ASP 552 N 0.53 0.38 0.11 6.23 3.58 -0.74 -2.50 116.42 124.02 1jry h ASP 552 Ca 0.14 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.45 1jry h ASP 552 Cb -0.06 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 1jry h ASP 552 CO -0.03 0.27 -0.47 0.16 -2.88 0.00 0.00 179.24 176.29 1jry h ILE 553 N 0.46 1.32 0.27 2.25 3.07 -1.06 0.30 117.51 124.12 1jry h ILE 553 Ca 0.13 -1.67 -0.01 0.00 1.55 0.00 0.00 64.86 64.86 1jry h ILE 553 Cb -0.03 1.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.23 1jry h ILE 553 CO -0.04 0.51 -0.13 0.40 -1.05 0.00 0.00 178.15 177.84 1jry h ILE 554 N 0.34 0.71 0.02 0.16 1.08 -1.49 0.91 117.51 119.24 1jry h ILE 554 Ca 0.02 -0.78 0.02 0.00 -0.39 0.00 0.00 64.86 63.73 1jry h ILE 554 Cb 0.95 1.09 -0.02 0.00 -3.07 0.00 0.00 36.82 35.77 1jry h ILE 554 CO 0.08 0.15 -0.12 0.74 -0.69 0.00 0.00 178.15 178.31 1jry h THR 555 N -0.81 0.70 0.02 -0.27 2.02 -1.31 -0.43 112.91 112.82 1jry h THR 555 Ca -0.04 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.93 1jry h THR 555 Cb 0.51 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1jry h THR 555 CO 0.06 0.00 -0.94 -0.26 0.37 0.00 0.00 175.52 174.75 1jry h PHE 556 N -0.21 0.38 -0.33 3.16 0.04 -0.48 -1.82 116.94 117.68 1jry h PHE 556 Ca 0.04 -0.22 -0.02 0.00 2.80 0.00 0.00 57.97 60.57 1jry h PHE 556 Cb 0.26 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1jry h PHE 556 CO -0.17 1.05 0.13 0.78 -0.60 0.00 0.00 178.31 179.50 1jry h GLY 557 N 1.73 0.52 0.98 -1.45 0.00 -0.79 -0.41 103.07 103.64 1jry h GLY 557 Ca -0.06 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1jry h GLY 557 CO 0.15 0.27 0.17 -0.09 0.00 0.00 0.00 176.54 177.04 1jry h ARG 558 N 0.38 0.37 -0.43 4.80 2.43 -1.02 -0.91 114.38 120.00 1jry h ARG 558 Ca 0.11 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1jry h ARG 558 Cb 0.19 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1jry h ARG 558 CO -0.01 0.29 0.14 1.25 -1.51 0.00 0.00 179.97 180.13 1jry h LEU 559 N 0.35 0.62 -0.80 3.80 5.85 -1.32 -1.93 115.31 121.88 1jry h LEU 559 Ca 0.10 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1jry h LEU 559 Cb 0.01 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1jry h LEU 559 CO -0.02 0.65 0.31 0.00 -0.34 0.00 0.00 178.44 179.04 1jry h ALA 560 N 0.99 1.04 -0.72 1.25 0.00 -0.72 -1.23 119.26 119.87 1jry h ALA 560 Ca 0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1jry h ALA 560 Cb 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1jry h ALA 560 CO -0.01 0.67 0.22 0.78 0.00 0.00 0.00 179.25 180.92 1jry h GLY 561 N 1.16 1.21 1.01 0.00 0.00 -0.86 0.17 103.07 105.77 1jry h GLY 561 Ca 0.26 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 1jry h GLY 561 CO -0.02 0.68 -0.12 0.83 0.00 0.00 0.00 176.54 177.91 1jry h GLU 562 N 1.07 0.84 -0.61 4.80 5.08 -1.10 -0.66 114.58 124.00 1jry h GLU 562 Ca 0.23 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1jry h GLU 562 Cb 0.31 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1jry h GLU 562 CO -0.01 0.96 0.01 0.93 -1.00 0.00 0.00 179.01 179.90 1jry h GLU 563 N 0.67 1.08 -0.65 2.33 4.39 -1.07 -1.73 114.58 119.59 1jry h GLU 563 Ca 0.11 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.44 1jry h GLU 563 Cb 0.66 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1jry h GLU 563 CO 0.05 1.04 0.28 0.00 -1.16 0.00 0.00 179.01 179.21 1jry h ALA 564 N 1.01 0.84 -0.27 3.43 0.00 -0.52 0.20 119.26 123.94 1jry h ALA 564 Ca 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jry h ALA 564 Cb 0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1jry h ALA 564 CO 0.03 0.44 0.07 0.00 0.00 0.00 0.00 179.25 179.79 1jry h ALA 565 N 1.12 0.35 -0.42 0.00 0.00 -0.88 -1.06 119.26 118.38 1jry h ALA 565 Ca 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jry h ALA 565 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1jry h ALA 565 CO -0.02 -0.00 0.25 0.87 0.00 0.00 0.00 179.25 180.35 1jry h LYS 566 N 0.27 0.57 -0.28 0.00 1.57 -1.14 -2.45 116.57 115.11 1jry h LYS 566 Ca 0.09 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1jry h LYS 566 Cb 0.26 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 1jry h LYS 566 CO -0.00 0.42 0.00 -0.92 -0.57 0.00 0.00 179.45 178.38 1jry h TYR 567 N 0.55 -0.01 0.00 -1.35 3.20 -0.51 -3.51 116.97 115.34 1jry h TYR 567 Ca 0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1jry h TYR 567 Cb -0.01 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1jry h TYR 567 CO -0.03 -0.04 0.00 0.45 -1.64 0.00 0.00 178.16 176.89