#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jry h ASP 2 N 0.00 0.00 -5.04 0.00 3.32 -2.01 -3.48 116.42 109.22 1jry h ASP 2 Ca 0.00 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1jry h ASP 2 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 1jry h ASP 2 CO 0.00 0.01 0.15 0.54 -1.72 0.00 0.00 179.24 178.21 1jry s ASN 3 N -5.70 -0.34 0.19 6.45 2.20 -1.26 -4.66 114.94 111.81 1jry s ASN 3 Ca 0.06 -0.41 -0.10 0.00 -0.94 0.00 0.00 52.86 51.47 1jry s ASN 3 Cb 0.07 0.64 0.10 0.00 -2.00 0.00 0.00 41.25 40.06 1jry s ASN 3 CO 0.69 -1.14 1.72 0.25 -2.94 0.00 0.00 177.10 175.69 1jry h LEU 4 N 2.07 0.97 -0.07 3.54 5.85 -1.71 -1.31 115.31 124.65 1jry h LEU 4 Ca -0.27 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1jry h LEU 4 Cb 1.27 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1jry h LEU 4 CO 0.32 0.92 0.03 0.00 -0.34 0.00 0.00 178.44 179.37 1jry h ALA 5 N 1.09 0.09 -0.38 1.25 0.00 -0.89 -2.28 119.26 118.14 1jry h ALA 5 Ca 0.22 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1jry h ALA 5 Cb 0.29 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1jry h ALA 5 CO -0.01 -0.34 -0.17 1.49 0.00 0.00 0.00 179.25 180.22 1jry h GLU 6 N -0.01 -0.10 -0.32 0.00 4.81 -1.75 0.72 114.58 117.94 1jry h GLU 6 Ca 0.03 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1jry h GLU 6 Cb 0.12 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.46 1jry h GLU 6 CO -0.00 -0.06 -0.09 0.35 -0.73 0.00 0.00 179.01 178.47 1jry h PHE 7 N -0.10 -0.19 -0.47 0.92 3.04 -1.02 -2.92 116.94 116.19 1jry h PHE 7 Ca 0.19 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 62.06 1jry h PHE 7 Cb 0.39 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 1jry h PHE 7 CO -0.40 -0.15 -0.13 0.45 -2.02 0.00 0.00 178.31 176.06 1jry h HIS 8 N -0.01 1.04 0.00 0.41 3.86 -0.82 -3.12 115.15 116.50 1jry h HIS 8 Ca 0.15 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1jry h HIS 8 Cb 0.25 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1jry h HIS 8 CO -0.31 1.01 0.00 1.33 0.86 0.00 0.00 177.93 180.82 1jry n VAL 9 N -4.22 1.23 0.04 2.45 0.24 0.19 -1.26 118.33 117.01 1jry n VAL 9 Ca 0.00 0.32 0.11 0.00 -2.04 0.00 0.00 64.34 62.73 1jry n VAL 9 Cb 0.40 -1.15 0.56 0.00 -1.47 0.00 0.00 33.84 32.18 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 0.25 0.00 7.34 4.20 -1.46 -3.10 115.11 122.33 1jry h GLN 10 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1jry h GLN 10 Cb 0.19 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1jry h GLN 10 CO 0.00 0.16 -0.07 0.09 -0.67 0.00 0.00 178.83 178.35 1jry n ASN 11 N -4.47 1.18 -3.86 1.46 3.02 -0.57 -5.10 115.26 106.91 1jry n ASN 11 Ca 0.05 -1.88 -0.09 0.00 -0.03 0.00 0.00 54.58 52.63 1jry n ASN 11 Cb 0.28 -0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.27 1jry n ASN 11 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jry s GLN 12 N -0.88 0.82 0.61 3.52 -0.21 -0.39 -5.13 119.66 118.01 1jry s GLN 12 Ca 0.05 -0.91 -0.06 0.00 0.02 0.00 0.00 55.36 54.46 1jry s GLN 12 Cb 0.05 0.33 0.02 0.00 1.00 0.00 0.00 33.01 34.41 1jry s GLN 12 CO 0.01 -0.26 0.92 -1.21 -2.12 0.00 0.00 175.29 172.63 1jry s GLU 13 N -3.67 2.82 0.35 2.91 0.41 -1.26 -4.31 118.70 115.94 1jry s GLU 13 Ca 0.03 -0.03 0.03 0.00 -0.41 0.00 0.00 54.97 54.60 1jry s GLU 13 Cb 0.04 -2.25 0.66 0.00 -1.78 0.00 0.00 34.13 30.80 1jry s GLU 13 CO -0.10 -0.78 1.98 0.00 -0.49 0.00 0.00 175.26 175.87 1jry n ASP 15 N -4.46 0.00 -0.01 0.00 3.85 -1.26 -1.32 116.55 113.35 1jry n ASP 15 Ca 0.09 -0.65 -0.02 0.00 -0.71 0.00 0.00 54.79 53.50 1jry n ASP 15 Cb 0.13 0.00 0.24 0.00 -1.35 0.00 0.00 41.12 40.14 1jry n ASP 15 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1jry h SER 16 N 0.00 0.53 0.00 -1.12 4.64 -1.73 -3.29 113.55 112.58 1jry h SER 16 Ca 0.00 -0.13 -0.18 0.00 -0.47 0.00 0.00 61.79 61.01 1jry h SER 16 Cb 0.00 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 1jry h SER 16 CO 0.00 0.67 -1.87 0.00 -0.87 0.00 0.00 176.83 174.76 1jry s HIS 18 N -2.55 3.19 0.88 0.00 3.76 -0.43 -4.28 115.29 115.86 1jry s HIS 18 Ca -0.06 -0.11 -0.11 0.00 -0.15 0.00 0.00 55.06 54.62 1jry s HIS 18 Cb 0.06 -1.97 0.12 0.00 1.11 0.00 0.00 32.58 31.90 1jry s HIS 18 CO 0.58 0.02 1.09 0.95 -0.85 0.00 0.00 174.74 176.54 1jry s THR 19 N -2.20 2.74 0.28 1.30 -4.23 -1.26 -4.53 115.64 107.75 1jry s THR 19 Ca 0.44 0.24 0.02 0.00 -1.18 0.00 0.00 61.69 61.21 1jry s THR 19 Cb -0.09 -2.72 0.27 0.00 1.34 0.00 0.00 72.50 71.29 1jry s THR 19 CO 0.32 -0.32 1.75 -0.65 -0.54 0.00 0.00 174.62 175.18 1jry h PRO 20 N -1.49 0.61 -0.00 3.99 0.11 -1.93 0.09 132.00 133.37 1jry h PRO 20 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1jry h PRO 20 Cb 1.28 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jry h PRO 20 CO 0.54 0.40 -0.18 -0.40 -0.21 0.00 0.00 178.00 178.15 1jry n ASP 21 N -4.87 0.52 0.00 -2.05 3.85 -1.26 -4.93 116.55 107.81 1jry n ASP 21 Ca 0.20 -0.46 0.00 0.00 -0.71 0.00 0.00 54.79 53.82 1jry n ASP 21 Cb 0.53 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.26 1jry n ASP 21 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jry n GLY 22 N 1.35 2.48 3.79 6.12 0.00 0.02 -5.01 105.19 113.94 1jry n GLY 22 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.18 3.88 0.21 1.61 -1.05 -1.26 -4.70 118.70 117.20 1jry s GLU 23 Ca 0.00 1.39 -0.31 0.00 -0.15 0.00 0.00 54.97 55.90 1jry s GLU 23 Cb 0.00 -2.18 -0.10 0.00 -0.44 0.00 0.00 34.13 31.40 1jry s GLU 23 CO 0.00 -0.37 1.54 -0.51 0.95 0.00 0.00 175.26 176.87 1jry s LEU 24 N -3.31 4.37 0.17 1.83 1.43 -1.26 -4.51 118.68 117.40 1jry s LEU 24 Ca 0.65 2.68 -0.14 0.00 -1.03 0.00 0.00 54.13 56.30 1jry s LEU 24 Cb -0.17 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.55 1jry s LEU 24 CO 0.21 -0.80 1.77 0.77 0.23 0.00 0.00 176.35 178.53 1jry h SER 25 N 6.02 0.27 -2.04 2.29 4.64 -1.94 -3.47 113.55 119.31 1jry h SER 25 Ca -0.44 0.04 0.15 0.00 -0.47 0.00 0.00 61.79 61.06 1jry h SER 25 Cb 1.21 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 1jry h SER 25 CO 0.86 0.19 0.50 -0.46 -0.87 0.00 0.00 176.83 177.05 1jry n ASN 26 N -4.94 -1.28 0.21 4.97 0.23 -1.26 -4.96 115.26 108.22 1jry n ASN 26 Ca 0.03 -1.63 0.15 0.00 -0.53 0.00 0.00 54.58 52.61 1jry n ASN 26 Cb 0.14 2.07 0.63 0.00 -2.08 0.00 0.00 39.78 40.54 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 1.53 0.00 1.00 0.53 3.45 -1.91 -0.76 116.42 120.26 1jry h ASP 27 Ca -0.20 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.26 1jry h ASP 27 Cb 0.93 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.70 1jry h ASP 27 CO 0.28 0.00 -0.06 -1.20 -1.57 0.00 0.00 179.24 176.69 1jry n SER 28 N -2.68 0.14 -3.68 6.45 7.64 -1.25 -4.37 113.62 115.87 1jry n SER 28 Ca 0.01 0.43 -0.23 0.00 1.01 0.00 0.00 58.87 60.08 1jry n SER 28 Cb 0.25 -0.44 0.05 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.59 -3.20 0.21 -3.43 4.77 -0.29 -4.88 117.00 108.59 1jry n LEU 29 Ca 0.07 -0.72 -0.15 0.00 -0.03 0.00 0.00 56.01 55.18 1jry n LEU 29 Cb 0.35 -2.79 -0.08 0.00 -2.33 0.00 0.00 43.42 38.57 1jry n LEU 29 CO 0.28 0.46 0.75 0.74 -1.33 0.00 0.00 177.39 178.29 1jry h THR 30 N -2.08 0.63 -0.05 -5.08 2.02 -1.92 0.52 112.91 106.95 1jry h THR 30 Ca -0.59 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 1jry h THR 30 Cb 1.36 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1jry h THR 30 CO 0.58 0.00 0.03 0.22 0.37 0.00 0.00 175.52 176.72 1jry h TYR 31 N -0.49 0.07 -0.43 3.16 3.20 -1.95 -1.36 116.97 119.18 1jry h TYR 31 Ca -0.04 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.84 1jry h TYR 31 Cb 0.38 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1jry h TYR 31 CO -0.07 0.12 0.25 0.93 -1.64 0.00 0.00 178.16 177.76 1jry h GLU 32 N -0.00 0.49 -0.12 1.82 3.07 -1.70 -2.29 114.58 115.86 1jry h GLU 32 Ca 0.02 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.77 1jry h GLU 32 Cb 0.08 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1jry h GLU 32 CO -0.00 0.33 -0.29 -0.91 -1.40 0.00 0.00 179.01 176.74 1jry h ASN 33 N 0.51 0.22 -0.93 1.42 2.35 -0.80 -1.81 115.58 116.54 1jry h ASN 33 Ca 0.17 -0.07 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1jry h ASN 33 Cb 0.01 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.27 1jry h ASN 33 CO -0.08 0.51 0.61 0.74 -1.65 0.00 0.00 177.43 177.56 1jry h THR 34 N 0.20 1.14 -0.44 2.81 2.02 -0.71 -1.15 112.91 116.78 1jry h THR 34 Ca 0.03 -0.40 -0.14 0.00 0.77 0.00 0.00 66.41 66.67 1jry h THR 34 Cb 0.61 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1jry h THR 34 CO 0.04 0.21 -0.28 1.56 0.37 0.00 0.00 175.52 177.42 1jry h GLN 35 N 1.15 0.95 -0.55 6.66 1.08 -0.81 0.20 115.11 123.79 1jry h GLN 35 Ca 0.38 -0.44 0.07 0.00 -1.45 0.00 0.00 58.65 57.21 1jry h GLN 35 Cb 0.05 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.41 1jry h GLN 35 CO -0.12 1.10 0.23 0.00 -0.95 0.00 0.00 178.83 179.09 1jry h VAL 37 N 0.43 1.22 -0.76 0.00 2.07 -0.97 0.10 116.25 118.34 1jry h VAL 37 Ca 0.26 -0.67 0.16 0.00 0.82 0.00 0.00 66.70 67.27 1jry h VAL 37 Cb 0.26 0.60 -0.14 0.00 -1.52 0.00 0.00 31.29 30.49 1jry h VAL 37 CO -0.24 0.26 -0.17 -1.28 0.02 0.00 0.00 177.57 176.16 1jry h SER 38 N 0.77 -0.67 0.27 0.57 0.87 0.07 0.21 113.55 115.64 1jry h SER 38 Ca 0.19 0.23 -0.34 0.00 -1.23 0.00 0.00 61.79 60.64 1jry h SER 38 Cb 0.18 0.46 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 1jry h SER 38 CO -0.02 -0.25 -1.92 0.00 -0.53 0.00 0.00 176.83 174.11 1jry n HIS 40 N -3.25 0.07 0.00 0.00 8.25 0.34 -5.08 115.22 115.54 1jry n HIS 40 Ca -0.26 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 1jry n HIS 40 Cb 1.05 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.94 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 1.42 0.36 3.59 -1.41 0.00 0.71 -4.31 105.19 105.55 1jry n GLY 41 Ca 0.02 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.30 2.09 0.27 2.61 -4.23 -1.26 -4.32 115.64 109.50 1jry s THR 42 Ca 0.00 0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1jry s THR 42 Cb 0.00 -2.29 0.26 0.00 1.34 0.00 0.00 72.50 71.81 1jry s THR 42 CO 0.00 -0.04 1.83 0.25 -0.54 0.00 0.00 174.62 176.12 1jry h LEU 43 N -2.24 0.85 -0.89 4.79 5.85 -1.92 0.28 115.31 122.03 1jry h LEU 43 Ca -0.57 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.09 1jry h LEU 43 Cb 1.33 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1jry h LEU 43 CO 0.53 0.46 -0.36 0.00 -0.34 0.00 0.00 178.44 178.73 1jry h ALA 44 N 1.51 1.06 -0.26 1.25 0.00 -1.92 0.21 119.26 121.11 1jry h ALA 44 Ca 0.47 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1jry h ALA 44 Cb 0.44 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jry h ALA 44 CO -0.26 0.59 -0.37 0.93 0.00 0.00 0.00 179.25 180.14 1jry h GLU 45 N 0.32 0.71 -0.93 0.00 5.08 -1.24 -2.75 114.58 115.76 1jry h GLU 45 Ca 0.04 -0.41 0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1jry h GLU 45 Cb 0.78 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 1jry h GLU 45 CO 0.06 1.03 0.61 0.28 -1.00 0.00 0.00 179.01 180.00 1jry h VAL 46 N 0.43 1.21 -0.31 3.13 2.07 -0.33 -2.70 116.25 119.75 1jry h VAL 46 Ca 0.03 -0.42 0.09 0.00 0.82 0.00 0.00 66.70 67.22 1jry h VAL 46 Cb 0.96 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1jry h VAL 46 CO 0.09 0.22 0.28 0.00 0.02 0.00 0.00 177.57 178.18 1jry h ALA 47 N 1.36 2.09 -0.06 1.67 0.00 -0.28 -1.22 119.26 122.82 1jry h ALA 47 Ca 0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1jry h ALA 47 Cb -0.09 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1jry h ALA 47 CO -0.09 -0.44 -0.14 0.93 0.00 0.00 0.00 179.25 179.50 1jry h GLU 48 N 0.00 0.10 -0.01 0.00 4.39 -1.48 -1.89 114.58 115.69 1jry h GLU 48 Ca 0.15 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1jry h GLU 48 Cb 0.71 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1jry h GLU 48 CO -0.00 0.24 -0.24 0.25 -1.16 0.00 0.00 179.01 178.10 1jry n THR 49 N -4.32 0.00 -1.93 1.13 -2.24 -0.46 -4.14 114.28 102.32 1jry n THR 49 Ca -0.02 -0.12 0.02 0.00 -2.27 0.00 0.00 64.05 61.66 1jry n THR 49 Cb 0.24 0.36 0.13 0.00 -2.10 0.00 0.00 70.33 68.96 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 -0.67 1.67 -2.24 4.28 -2.24 -0.72 -5.07 114.28 109.30 1jry n THR 50 Ca 0.12 -2.81 -0.41 0.00 -2.27 0.00 0.00 64.05 58.69 1jry n THR 50 Cb 0.34 0.03 -0.03 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 -2.53 4.42 0.28 -0.78 1.02 -1.20 -4.60 119.74 116.35 1jry s LYS 51 Ca 0.38 2.04 0.10 0.00 0.02 0.00 0.00 55.97 58.51 1jry s LYS 51 Cb 0.38 -3.18 -0.05 0.00 -0.52 0.00 0.00 37.83 34.46 1jry s LYS 51 CO -0.08 -0.18 -0.15 -1.01 -0.92 0.00 0.00 175.35 173.01 1jry s HIS 52 N -0.26 2.16 0.14 3.18 3.76 -0.81 -5.05 115.29 118.41 1jry s HIS 52 Ca 0.54 -0.46 -0.18 0.00 -0.15 0.00 0.00 55.06 54.81 1jry s HIS 52 Cb -0.36 -1.05 0.01 0.00 1.11 0.00 0.00 32.58 32.28 1jry s HIS 52 CO 0.41 0.57 1.75 1.49 -0.85 0.00 0.00 174.74 178.10 1jry h GLU 53 N 2.27 0.20 -0.12 1.40 4.81 -2.03 -3.30 114.58 117.82 1jry h GLU 53 Ca -0.40 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1jry h GLU 53 Cb 1.25 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1jry h GLU 53 CO 0.64 0.13 0.00 0.72 -0.73 0.00 0.00 179.01 179.77 1jry n HIS 54 N -5.04 0.27 -3.48 0.92 8.25 -1.26 -5.03 115.22 109.85 1jry n HIS 54 Ca -0.01 -0.71 -0.12 0.00 -0.26 0.00 0.00 57.72 56.63 1jry n HIS 54 Cb 0.10 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.86 -0.48 -0.30 4.41 -0.85 -1.25 -4.80 117.35 112.22 1jry s TYR 55 Ca 0.21 0.44 -0.06 0.00 -0.52 0.00 0.00 57.07 57.14 1jry s TYR 55 Cb 0.17 0.52 0.17 0.00 0.38 0.00 0.00 41.96 43.20 1jry s TYR 55 CO 0.06 -0.66 0.73 1.21 -1.52 0.00 0.00 175.55 175.37 1jry s ASN 56 N -2.26 -1.09 0.31 -0.18 3.04 -1.26 -1.92 114.94 111.57 1jry s ASN 56 Ca 0.00 0.88 0.06 0.00 0.04 0.00 0.00 52.86 53.84 1jry s ASN 56 Cb -0.01 1.99 0.84 0.00 -1.54 0.00 0.00 41.25 42.53 1jry s ASN 56 CO -0.07 -0.20 1.63 0.00 -3.04 0.00 0.00 177.10 175.41 1jry h ALA 57 N 7.95 1.44 -0.52 1.71 0.00 -1.97 -0.59 119.26 127.29 1jry h ALA 57 Ca -0.20 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jry h ALA 57 Cb 1.15 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1jry h ALA 57 CO 0.15 -0.56 0.00 0.72 0.00 0.00 0.00 179.25 179.56 1jry n HIS 58 N -5.26 0.69 -3.46 0.00 8.25 -1.26 -4.62 115.22 109.56 1jry n HIS 58 Ca 0.25 -0.34 -0.28 0.00 -0.26 0.00 0.00 57.72 57.08 1jry n HIS 58 Cb 0.80 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.80 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 -1.31 1.28 0.07 -1.41 0.00 -0.23 -4.48 121.76 115.68 1jry s ALA 59 Ca 0.39 -2.21 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1jry s ALA 59 Cb 0.21 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1jry s ALA 59 CO 0.28 -2.05 0.03 -1.13 0.00 0.00 0.00 175.76 172.89 1jry n SER 60 N 3.45 1.72 0.00 0.00 3.41 -1.26 -4.46 113.62 116.49 1jry n SER 60 Ca 0.19 -1.29 0.14 0.00 -0.26 0.00 0.00 58.87 57.65 1jry n SER 60 Cb 0.41 0.02 0.69 0.00 -0.26 0.00 0.00 64.21 65.07 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 -0.43 0.00 -2.20 7.33 1.44 -1.26 -4.83 115.22 115.27 1jry n HIS 61 Ca -0.02 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.28 1jry n HIS 61 Cb 0.09 -0.33 -0.03 0.00 0.12 0.00 0.00 29.99 29.84 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 -2.65 3.26 0.79 -1.40 0.40 -1.26 -4.84 117.98 112.27 1jry s PHE 62 Ca 0.24 1.06 -0.09 0.00 -0.60 0.00 0.00 56.93 57.53 1jry s PHE 62 Cb 0.19 -3.64 0.10 0.00 0.51 0.00 0.00 43.02 40.18 1jry s PHE 62 CO 0.44 -2.16 1.12 -1.25 0.70 0.00 0.00 175.22 174.07 1jry s PRO 63 N 0.73 1.75 1.12 0.24 0.04 -1.26 -4.94 135.00 132.69 1jry s PRO 63 Ca 0.62 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1jry s PRO 63 Cb -0.36 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1jry s PRO 63 CO 0.33 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 176.18 1jry n GLY 64 N -3.19 -1.95 3.24 0.56 0.00 -1.26 -4.67 105.19 97.93 1jry n GLY 64 Ca 0.10 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 1jry n GLY 64 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jry s GLU 65 N -0.02 2.65 -0.22 1.61 -1.05 -1.26 -5.03 118.70 115.38 1jry s GLU 65 Ca 0.00 -1.75 -0.29 0.00 -0.15 0.00 0.00 54.97 52.78 1jry s GLU 65 Cb 0.00 -4.05 -0.03 0.00 -0.44 0.00 0.00 34.13 29.61 1jry s GLU 65 CO 0.00 -1.24 1.75 0.08 0.95 0.00 0.00 175.26 176.80 1jry s VAL 66 N 1.43 3.51 0.47 1.83 1.01 -1.26 -4.97 120.40 122.43 1jry s VAL 66 Ca 0.05 0.57 -0.24 0.00 0.00 0.00 0.00 61.98 62.36 1jry s VAL 66 Cb -0.27 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.48 1jry s VAL 66 CO 0.00 -0.26 1.34 0.00 0.00 0.00 0.00 175.10 176.18 1jry s ALA 67 N 5.83 3.08 0.36 5.51 0.00 -1.26 -4.91 121.76 130.36 1jry s ALA 67 Ca 0.78 1.30 0.03 0.00 0.00 0.00 0.00 51.96 54.07 1jry s ALA 67 Cb -0.27 -3.53 0.66 0.00 0.00 0.00 0.00 23.12 19.98 1jry s ALA 67 CO 0.32 -1.09 2.01 0.00 0.00 0.00 0.00 175.76 176.99 1jry n THR 69 N -4.43 0.97 -0.29 0.00 -2.24 -1.25 -0.50 114.28 106.53 1jry n THR 69 Ca 0.06 0.24 0.11 0.00 -2.27 0.00 0.00 64.05 62.19 1jry n THR 69 Cb 0.06 -1.00 0.35 0.00 -2.10 0.00 0.00 70.33 67.64 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 0.71 0.00 3.42 0.02 -1.46 -3.33 113.55 112.91 1jry h SER 70 Ca 0.00 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1jry h SER 70 Cb 0.26 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1jry h SER 70 CO 0.00 0.35 -1.10 0.00 -1.14 0.00 0.00 176.83 174.94 1jry s HIS 72 N -2.05 3.27 0.55 0.00 3.76 0.35 -4.04 115.29 117.14 1jry s HIS 72 Ca -0.01 -1.18 -0.07 0.00 -0.15 0.00 0.00 55.06 53.66 1jry s HIS 72 Cb 0.01 -3.29 -0.02 0.00 1.11 0.00 0.00 32.58 30.38 1jry s HIS 72 CO 0.06 -0.87 0.88 -1.12 -0.85 0.00 0.00 174.74 172.85 1jry s SER 73 N 2.74 6.04 -0.21 1.40 0.01 -1.26 -3.91 113.70 118.50 1jry s SER 73 Ca 0.04 0.99 -0.17 0.00 1.31 0.00 0.00 55.95 58.12 1jry s SER 73 Cb -0.25 -2.14 -0.13 0.00 0.21 0.00 0.00 66.02 63.71 1jry s SER 73 CO 0.05 -0.81 -0.07 0.00 0.41 0.00 0.00 173.24 172.82 1jry n ALA 74 N -2.49 0.84 0.78 1.44 0.00 -1.26 -4.52 120.51 115.30 1jry n ALA 74 Ca 0.03 -0.67 0.08 0.00 0.00 0.00 0.00 53.44 52.88 1jry n ALA 74 Cb 0.56 -0.21 0.23 0.00 0.00 0.00 0.00 19.45 20.02 1jry n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jry n HIS 75 N -4.42 0.48 -3.52 0.00 8.25 -1.26 -0.23 115.22 114.52 1jry n HIS 75 Ca -0.32 -0.24 -0.12 0.00 -0.26 0.00 0.00 57.72 56.79 1jry n HIS 75 Cb 0.64 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.72 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 -1.52 1.17 0.65 -0.41 -1.05 -1.26 -4.99 118.70 111.29 1jry s GLU 76 Ca 0.29 -0.49 -0.17 0.00 -0.15 0.00 0.00 54.97 54.45 1jry s GLU 76 Cb 0.15 0.53 -0.00 0.00 -0.44 0.00 0.00 34.13 34.37 1jry s GLU 76 CO 0.21 -0.48 1.23 0.15 0.95 0.00 0.00 175.26 177.33 1jry s LYS 77 N -3.48 2.58 0.18 -4.83 1.02 -1.26 -4.46 119.74 109.49 1jry s LYS 77 Ca 0.00 1.87 -0.02 0.00 0.02 0.00 0.00 55.97 57.85 1jry s LYS 77 Cb 0.00 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 1jry s LYS 77 CO -0.10 -1.52 0.12 -1.54 -0.92 0.00 0.00 175.35 171.39 1jry s SER 78 N -1.68 0.19 0.09 2.83 1.04 -0.50 -4.87 113.70 110.79 1jry s SER 78 Ca 0.78 -1.31 0.02 0.00 0.48 0.00 0.00 55.95 55.92 1jry s SER 78 Cb -0.32 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 1jry s SER 78 CO 0.39 -0.82 0.15 -0.04 0.98 0.00 0.00 173.24 173.91 1jry s MET 79 N -4.12 3.15 -0.15 4.02 1.00 -1.26 -0.84 119.30 121.10 1jry s MET 79 Ca 0.33 -0.60 -0.24 0.00 0.00 0.00 0.00 55.69 55.18 1jry s MET 79 Cb 0.07 -2.86 -0.02 0.00 0.00 0.00 0.00 34.83 32.02 1jry s MET 79 CO 0.08 0.57 0.77 0.08 0.00 0.00 0.00 175.02 176.53 1jry s VAL 80 N -1.50 4.94 0.24 -6.03 1.01 -1.26 -4.52 120.40 113.28 1jry s VAL 80 Ca 0.32 1.52 -0.04 0.00 0.00 0.00 0.00 61.98 63.78 1jry s VAL 80 Cb -0.12 -4.09 0.15 0.00 0.00 0.00 0.00 36.38 32.32 1jry s VAL 80 CO 0.25 0.09 1.79 0.22 0.00 0.00 0.00 175.10 177.44 1jry h TYR 81 N 7.25 1.03 -0.04 5.22 3.20 -1.92 -0.01 116.97 131.69 1jry h TYR 81 Ca -0.32 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 61.46 1jry h TYR 81 Cb 1.15 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 1jry h TYR 81 CO 0.70 0.83 0.14 0.00 -1.64 0.00 0.00 178.16 178.20 1jry n ASP 83 N -3.25 0.28 0.10 0.00 10.43 -0.02 -1.11 116.55 122.99 1jry n ASP 83 Ca -0.02 0.57 0.11 0.00 2.57 0.00 0.00 54.79 58.02 1jry n ASP 83 Cb 0.22 -0.63 0.45 0.00 1.84 0.00 0.00 41.12 43.01 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 -1.80 0.55 0.00 -2.24 3.41 -0.84 -4.11 113.62 108.59 1jry n SER 84 Ca 0.03 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1jry n SER 84 Cb 0.21 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 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 -1.42 2.55 -0.47 0.00 3.76 -0.26 -4.81 115.29 114.64 1jry s HIS 86 Ca 0.00 -0.54 0.09 0.00 -0.15 0.00 0.00 55.06 54.46 1jry s HIS 86 Cb 0.00 -1.70 0.35 0.00 1.11 0.00 0.00 32.58 32.35 1jry s HIS 86 CO 0.00 0.39 0.86 0.43 -0.85 0.00 0.00 174.74 175.57 1jry n SER 87 N -1.04 2.74 -4.77 1.40 7.64 -1.26 -4.13 113.62 114.20 1jry n SER 87 Ca -0.03 -3.35 -0.32 0.00 1.01 0.00 0.00 58.87 56.18 1jry n SER 87 Cb 0.64 -0.58 0.07 0.00 -1.01 0.00 0.00 64.21 63.33 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 -3.00 2.63 -0.81 1.43 2.99 -1.26 -4.94 117.98 115.02 1jry s PHE 88 Ca 0.44 1.55 -0.22 0.00 0.00 0.00 0.00 56.93 58.69 1jry s PHE 88 Cb 0.32 -3.08 0.08 0.00 0.00 0.00 0.00 43.02 40.34 1jry s PHE 88 CO -0.11 -1.72 1.16 0.34 -0.00 0.00 0.00 175.22 174.89 1jry s ASP 89 N -3.13 6.35 0.21 1.36 2.15 -1.26 -4.97 116.67 117.38 1jry s ASP 89 Ca 0.63 -1.26 0.09 0.00 0.43 0.00 0.00 52.55 52.45 1jry s ASP 89 Cb -0.18 -2.47 -0.04 0.00 -0.30 0.00 0.00 42.92 39.93 1jry s ASP 89 CO 0.51 -1.43 -0.09 -0.36 -0.17 0.00 0.00 175.17 173.63 1jry s PHE 90 N 4.18 2.60 -0.39 -5.34 2.99 -1.26 -5.07 117.98 115.69 1jry s PHE 90 Ca 0.32 -0.24 0.13 0.00 0.00 0.00 0.00 56.93 57.13 1jry s PHE 90 Cb -0.09 -1.22 0.40 0.00 0.00 0.00 0.00 43.02 42.10 1jry s PHE 90 CO 0.02 0.56 0.89 -1.71 -0.00 0.00 0.00 175.22 174.98 1jry n ASN 91 N -0.27 1.98 -4.75 1.36 4.05 -1.26 -5.10 115.26 111.27 1jry n ASN 91 Ca -0.09 -3.07 -0.41 0.00 0.45 0.00 0.00 54.58 51.46 1jry n ASN 91 Cb 0.57 -0.56 -0.03 0.00 1.23 0.00 0.00 39.78 40.99 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 -2.95 4.38 0.61 1.20 -2.45 -1.26 -4.95 119.30 113.87 1jry s MET 92 Ca 0.37 2.13 -0.19 0.00 -1.25 0.00 0.00 55.69 56.75 1jry s MET 92 Cb 0.39 -3.14 -0.03 0.00 1.25 0.00 0.00 34.83 33.31 1jry s MET 92 CO -0.06 -0.22 1.31 -2.14 1.05 0.00 0.00 175.02 174.97 1jry s PRO 93 N -0.87 2.79 -1.91 4.11 0.02 -1.26 -2.58 135.00 135.30 1jry s PRO 93 Ca 0.53 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.66 1jry s PRO 93 Cb -0.38 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.14 1jry s PRO 93 CO 0.44 -1.43 0.00 0.66 -0.33 0.00 0.00 177.00 176.35 1jry n TYR 94 N -1.57 -0.53 -1.43 6.54 4.01 -1.26 -4.87 117.16 118.06 1jry n TYR 94 Ca 0.14 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.57 1jry n TYR 94 Cb 0.47 -3.57 0.08 0.00 -0.31 0.00 0.00 39.34 36.01 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 -2.82 2.36 0.05 -0.72 0.00 -1.07 -1.41 121.76 118.16 1jry s ALA 95 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 1jry s ALA 95 Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1jry s ALA 95 CO 0.00 -1.59 0.00 -1.59 0.00 0.00 0.00 175.76 172.58 1jry s LYS 96 N -5.00 0.61 0.37 0.00 -2.85 -0.02 -4.72 119.74 108.13 1jry s LYS 96 Ca 0.60 -1.12 -0.27 0.00 -1.00 0.00 0.00 55.97 54.18 1jry s LYS 96 Cb -0.16 0.22 -0.10 0.00 -2.06 0.00 0.00 37.83 35.74 1jry s LYS 96 CO 0.55 -0.13 1.31 0.21 0.10 0.00 0.00 175.35 177.40 1jry s LYS 97 N -3.66 4.18 0.19 1.78 2.20 -1.26 -4.32 119.74 118.85 1jry s LYS 97 Ca 0.04 2.20 -0.33 0.00 -0.36 0.00 0.00 55.97 57.52 1jry s LYS 97 Cb 0.06 -2.93 -0.13 0.00 -1.51 0.00 0.00 37.83 33.32 1jry s LYS 97 CO -0.09 -0.33 1.62 1.87 -0.36 0.00 0.00 175.35 178.05 1jry n TRP 98 N 0.49 2.47 -3.56 4.03 -0.00 -1.26 -4.89 117.44 114.71 1jry n TRP 98 Ca 0.02 0.20 -0.03 0.00 -0.00 0.00 0.00 57.50 57.69 1jry n TRP 98 Cb 0.42 -2.59 -0.05 0.00 -0.00 0.00 0.00 31.31 29.10 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 0.85 -1.03 -0.35 5.87 1.98 -1.26 -5.03 118.68 119.71 1jry s LEU 99 Ca 0.76 1.26 -0.17 0.00 -2.89 0.00 0.00 54.13 53.09 1jry s LEU 99 Cb -0.60 1.98 -0.01 0.00 0.66 0.00 0.00 46.19 48.22 1jry s LEU 99 CO 0.37 -0.23 0.44 -0.60 -1.89 0.00 0.00 176.35 174.44 1jry s ARG 100 N 2.80 3.58 -0.42 1.98 6.06 -1.26 -4.99 118.95 126.70 1jry s ARG 100 Ca -0.00 -0.30 0.03 0.00 -2.50 0.00 0.00 55.73 52.96 1jry s ARG 100 Cb -0.13 -3.81 0.15 0.00 0.06 0.00 0.00 34.95 31.23 1jry s ARG 100 CO -0.18 -0.59 0.30 0.34 -2.50 0.00 0.00 175.30 172.67 1jry s ASP 101 N 1.75 2.56 -0.20 -2.12 3.68 -1.26 -5.10 116.67 115.97 1jry s ASP 101 Ca 0.15 -2.79 -0.05 0.00 2.13 0.00 0.00 52.55 51.99 1jry s ASP 101 Cb -0.16 -0.62 -0.02 0.00 -1.45 0.00 0.00 42.92 40.66 1jry s ASP 101 CO 0.12 -0.22 0.00 -0.70 0.13 0.00 0.00 175.17 174.51 1jry s GLU 102 N 0.29 3.62 0.47 4.34 2.12 -1.26 -5.09 118.70 123.20 1jry s GLU 102 Ca 0.25 -0.52 -0.23 0.00 0.36 0.00 0.00 54.97 54.84 1jry s GLU 102 Cb -0.10 -3.09 -0.09 0.00 0.26 0.00 0.00 34.13 31.11 1jry s GLU 102 CO -0.10 0.01 0.97 -2.30 -0.54 0.00 0.00 175.26 173.30 1jry n PRO 103 N 4.26 1.21 -1.62 4.30 -0.02 -1.26 -4.97 135.00 136.90 1jry n PRO 103 Ca -0.17 0.44 -0.29 0.00 -2.02 0.00 0.00 63.50 61.46 1jry n PRO 103 Cb 0.52 -2.05 0.15 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.36 1.95 0.25 3.45 -4.23 -1.26 -4.86 115.64 109.58 1jry s THR 104 Ca 0.66 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.13 1jry s THR 104 Cb -0.52 -2.81 0.17 0.00 1.34 0.00 0.00 72.50 70.69 1jry s THR 104 CO 0.55 0.00 1.83 0.40 -0.54 0.00 0.00 174.62 176.85 1jry h ILE 105 N -1.57 1.24 -0.68 2.99 1.08 -1.93 -1.49 117.51 117.15 1jry h ILE 105 Ca -0.48 -0.75 -0.02 0.00 -0.39 0.00 0.00 64.86 63.22 1jry h ILE 105 Cb 1.31 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 1jry h ILE 105 CO 0.55 0.30 0.36 0.00 -0.69 0.00 0.00 178.15 178.67 1jry h ALA 106 N 1.29 0.87 0.00 1.87 0.00 -1.98 -2.15 119.26 119.16 1jry h ALA 106 Ca 0.24 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1jry h ALA 106 Cb 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1jry h ALA 106 CO -0.02 0.40 -0.22 0.93 0.00 0.00 0.00 179.25 180.34 1jry h GLU 107 N 0.93 0.00 0.00 0.00 5.08 -1.64 -1.67 114.58 117.29 1jry h GLU 107 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1jry h GLU 107 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1jry h GLU 107 CO -0.04 0.22 0.00 1.28 -1.00 0.00 0.00 179.01 179.47 1jry n LEU 108 N -3.93 0.00 0.25 1.33 4.77 -0.81 -2.53 117.00 116.08 1jry n LEU 108 Ca -0.02 0.11 0.10 0.00 -0.03 0.00 0.00 56.01 56.17 1jry n LEU 108 Cb 0.30 -0.11 0.67 0.00 -2.33 0.00 0.00 43.42 41.95 1jry n LEU 108 CO 0.34 -0.06 0.98 0.00 -1.33 0.00 0.00 177.39 177.32 1jry h ALA 109 N 2.75 1.55 -0.14 -1.18 0.00 -1.37 -0.50 119.26 120.38 1jry h ALA 109 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1jry h ALA 109 Cb 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1jry h ALA 109 CO 0.00 0.14 0.16 1.57 0.00 0.00 0.00 179.25 181.13 1jry h LYS 110 N 0.00 0.00 -0.98 0.00 2.10 -1.73 -0.71 116.57 115.25 1jry h LYS 110 Ca -0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 1jry h LYS 110 Cb 0.24 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.49 1jry h LYS 110 CO 0.01 0.00 0.17 -0.25 -2.00 0.00 0.00 179.45 177.39 1jry n ASP 111 N -3.74 3.12 -0.29 7.07 10.43 -0.20 -4.52 116.55 128.42 1jry n ASP 111 Ca 0.00 -2.47 0.12 0.00 2.57 0.00 0.00 54.79 55.01 1jry n ASP 111 Cb 0.27 -0.60 0.28 0.00 1.84 0.00 0.00 41.12 42.91 1jry n ASP 111 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 1jry h LYS 112 N 0.47 0.29 -0.62 -1.24 1.63 -1.31 0.13 116.57 115.92 1jry h LYS 112 Ca 0.17 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1jry h LYS 112 Cb 1.49 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.05 1jry h LYS 112 CO 0.32 0.19 0.00 -1.13 -3.45 0.00 0.00 179.45 175.38 1jry n SER 113 N -5.14 0.62 0.00 4.20 3.41 -1.26 -1.42 113.62 114.03 1jry n SER 113 Ca 0.20 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 1jry n SER 113 Cb 0.63 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.30 0.00 -0.01 4.33 1.02 -0.79 -4.89 120.64 120.60 1jry n GLU 114 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1jry n GLU 114 Cb 0.14 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.55 1jry n GLU 114 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jry h ARG 115 N 0.00 0.66 -0.28 3.49 3.08 -0.68 -1.59 114.38 119.06 1jry h ARG 115 Ca 0.00 -0.49 -0.10 0.00 0.07 0.00 0.00 59.98 59.46 1jry h ARG 115 Cb 0.00 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1jry h ARG 115 CO 0.00 1.11 -0.26 1.96 -1.07 0.00 0.00 179.97 181.71 1jry h GLN 116 N 0.47 0.54 -0.35 0.04 4.20 -1.48 -1.24 115.11 117.30 1jry h GLN 116 Ca -0.02 -0.21 -0.14 0.00 0.06 0.00 0.00 58.65 58.34 1jry h GLN 116 Cb 1.27 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 1jry h GLN 116 CO 0.13 0.75 -0.33 0.00 -0.67 0.00 0.00 178.83 178.71 1jry h ALA 117 N 1.25 0.76 -0.43 3.87 0.00 -1.79 0.14 119.26 123.06 1jry h ALA 117 Ca 0.07 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 1jry h ALA 117 Cb 0.70 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1jry h ALA 117 CO 0.05 0.66 -0.29 0.00 0.00 0.00 0.00 179.25 179.67 1jry h ALA 118 N 0.97 0.68 0.00 0.00 0.00 -1.01 -2.41 119.26 117.49 1jry h ALA 118 Ca 0.07 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1jry h ALA 118 Cb 0.87 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1jry h ALA 118 CO 0.08 0.67 -0.30 -0.07 0.00 0.00 0.00 179.25 179.63 1jry h LEU 119 N 0.79 0.00 -0.17 0.00 3.38 -0.94 -1.54 115.31 116.83 1jry h LEU 119 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jry h LEU 119 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1jry h LEU 119 CO 0.08 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.91 1jry h ALA 120 N 1.70 1.00 -2.40 1.53 0.00 -0.54 -3.46 119.26 117.09 1jry h ALA 120 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.44 1jry h ALA 120 Cb 0.94 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.84 1jry h ALA 120 CO 0.04 0.00 0.37 -1.12 0.00 0.00 0.00 179.25 178.54 1jry s SER 121 N -5.82 4.28 0.72 0.00 0.01 -0.58 -5.04 113.70 107.27 1jry s SER 121 Ca 0.07 0.58 -0.14 0.00 1.31 0.00 0.00 55.95 57.78 1jry s SER 121 Cb 0.07 -1.01 0.03 0.00 0.21 0.00 0.00 66.02 65.32 1jry s SER 121 CO 0.64 -2.01 1.13 0.00 0.41 0.00 0.00 173.24 173.41 1jry s ALA 122 N -3.56 2.25 0.53 1.44 0.00 -1.26 -4.94 121.76 116.23 1jry s ALA 122 Ca 0.64 0.56 -0.22 0.00 0.00 0.00 0.00 51.96 52.95 1jry s ALA 122 Cb -0.09 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 1jry s ALA 122 CO 0.49 -1.65 1.30 -0.35 0.00 0.00 0.00 175.76 175.55 1jry n PRO 123 N -2.89 1.62 0.15 0.00 -0.04 -1.26 -4.79 135.00 127.80 1jry n PRO 123 Ca 0.11 0.60 0.03 0.00 -0.04 0.00 0.00 63.50 64.19 1jry n PRO 123 Cb 0.52 -2.50 0.14 0.00 -0.04 0.00 0.00 33.50 31.62 1jry n PRO 123 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1jry h HIS 124 N 1.41 0.00 -3.29 0.54 2.76 -0.37 -3.45 115.15 112.75 1jry h HIS 124 Ca -0.50 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 57.56 1jry h HIS 124 Cb 1.31 0.00 -0.18 0.00 1.55 0.00 0.00 27.41 30.09 1jry h HIS 124 CO 0.45 0.51 -0.29 -0.51 -1.30 0.00 0.00 177.93 176.78 1jry s ASP 125 N -6.48 -0.10 -0.17 3.26 1.01 -1.24 -5.06 116.67 107.89 1jry s ASP 125 Ca 0.02 -0.16 -0.02 0.00 0.71 0.00 0.00 52.55 53.10 1jry s ASP 125 Cb 0.09 0.33 0.05 0.00 1.01 0.00 0.00 42.92 44.40 1jry s ASP 125 CO 0.73 -0.55 0.01 -0.89 0.21 0.00 0.00 175.17 174.68 1jry s THR 126 N -2.19 0.63 0.32 -1.27 2.01 -1.26 -1.15 115.64 112.72 1jry s THR 126 Ca -0.08 -0.46 0.05 0.00 0.31 0.00 0.00 61.69 61.51 1jry s THR 126 Cb -0.02 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1jry s THR 126 CO -0.01 -0.05 0.20 0.68 -0.69 0.00 0.00 174.62 174.74 1jry s VAL 127 N 1.83 0.21 -0.13 3.82 -7.23 -0.55 -4.98 120.40 113.36 1jry s VAL 127 Ca 0.00 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.92 1jry s VAL 127 Cb -0.16 -2.48 -0.26 0.00 0.56 0.00 0.00 36.38 34.05 1jry s VAL 127 CO -0.07 0.00 0.66 0.44 -0.31 0.00 0.00 175.10 175.82 1jry h ASP 128 N 2.15 0.12 -3.52 4.85 3.32 -1.57 -3.33 116.42 118.44 1jry h ASP 128 Ca -0.31 -0.88 -0.41 0.00 0.02 0.00 0.00 57.03 55.45 1jry h ASP 128 Cb 1.25 -0.04 -0.33 0.00 0.22 0.00 0.00 39.33 40.43 1jry h ASP 128 CO 0.47 1.23 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.75 1jry s VAL 129 N -2.31 0.61 -0.27 -1.35 1.01 -0.73 -1.53 120.40 115.84 1jry s VAL 129 Ca -0.20 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1jry s VAL 129 Cb 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1jry s VAL 129 CO 0.70 0.23 0.12 -0.69 0.00 0.00 0.00 175.10 175.47 1jry s VAL 130 N 0.74 4.73 -0.15 2.92 1.01 -0.72 -0.95 120.40 127.98 1jry s VAL 130 Ca -0.11 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 1jry s VAL 130 Cb -0.13 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1jry s VAL 130 CO 0.01 0.28 0.24 -0.69 0.00 0.00 0.00 175.10 174.94 1jry s VAL 131 N 1.67 5.34 -0.38 2.92 1.01 0.17 -1.29 120.40 129.84 1jry s VAL 131 Ca 0.07 0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.39 1jry s VAL 131 Cb -0.16 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.72 1jry s VAL 131 CO 0.07 0.45 0.19 -0.69 0.00 0.00 0.00 175.10 175.12 1jry s VAL 132 N 0.12 4.13 0.00 2.92 1.01 0.08 -0.87 120.40 127.79 1jry s VAL 132 Ca 0.14 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1jry s VAL 132 Cb -0.13 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1jry s VAL 132 CO 0.03 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.40 1jry n GLY 133 N 4.89 3.60 2.43 4.51 0.00 0.86 -0.52 105.19 120.95 1jry n GLY 133 Ca -0.11 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 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 7.09 -1.94 1.61 3.41 -1.25 -3.86 113.62 118.68 1jry n SER 134 Ca 0.00 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.82 1jry n SER 134 Cb 0.00 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 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 -0.78 0.16 0.23 5.00 0.00 -1.26 -0.27 105.19 108.27 1jry n GLY 135 Ca 0.57 -1.84 -0.07 0.00 0.00 0.00 0.00 46.02 44.68 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 0.64 0.92 -0.02 0.00 -1.92 -1.80 103.07 100.89 1jry h GLY 136 Ca 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.64 1jry h GLY 136 CO 0.00 0.57 -0.03 0.00 0.00 0.00 0.00 176.54 177.09 1jry h ALA 137 N 1.08 0.48 0.10 3.60 0.00 -1.89 -2.09 119.26 120.54 1jry h ALA 137 Ca 0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1jry h ALA 137 Cb 0.90 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1jry h ALA 137 CO 0.08 0.27 -0.05 0.78 0.00 0.00 0.00 179.25 180.33 1jry h GLY 138 N 0.44 -0.14 1.00 0.00 0.00 -1.61 -0.95 103.07 101.81 1jry h GLY 138 Ca 0.10 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1jry h GLY 138 CO 0.02 -0.05 0.33 0.74 0.00 0.00 0.00 176.54 177.58 1jry h PHE 139 N -0.37 0.67 -0.49 5.60 0.04 -1.40 -0.35 116.94 120.65 1jry h PHE 139 Ca -0.01 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.83 1jry h PHE 139 Cb 0.31 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.18 1jry h PHE 139 CO 0.00 0.44 0.17 0.77 -0.60 0.00 0.00 178.31 179.09 1jry h SER 140 N 0.70 0.16 -0.50 2.17 0.02 -1.24 0.90 113.55 115.77 1jry h SER 140 Ca 0.19 0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 61.10 1jry h SER 140 Cb -0.05 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1jry h SER 140 CO -0.04 0.12 -0.09 0.00 -1.14 0.00 0.00 176.83 175.68 1jry h ALA 141 N 1.33 0.69 -0.27 3.77 0.00 -1.02 -1.02 119.26 122.74 1jry h ALA 141 Ca 0.23 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1jry h ALA 141 Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1jry h ALA 141 CO -0.24 0.58 0.16 0.00 0.00 0.00 0.00 179.25 179.75 1jry h ALA 142 N 0.90 0.33 -0.07 0.00 0.00 -0.69 0.10 119.26 119.83 1jry h ALA 142 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1jry h ALA 142 Cb 0.65 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1jry h ALA 142 CO 0.04 -0.22 -0.00 0.82 0.00 0.00 0.00 179.25 179.89 1jry h ILE 143 N 0.33 1.26 -0.44 0.00 2.04 -0.80 -1.91 117.51 117.98 1jry h ILE 143 Ca 0.10 -0.80 0.06 0.00 1.00 0.00 0.00 64.86 65.22 1jry h ILE 143 Cb -0.01 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 1jry h ILE 143 CO -0.04 0.22 0.15 -1.28 0.00 0.00 0.00 178.15 177.20 1jry h SER 144 N -0.17 0.15 -0.08 1.72 0.87 -1.04 0.14 113.55 115.14 1jry h SER 144 Ca 0.02 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1jry h SER 144 Cb 0.35 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1jry h SER 144 CO 0.00 0.12 0.05 0.00 -0.53 0.00 0.00 176.83 176.47 1jry h ALA 145 N 1.29 0.11 -0.23 6.23 0.00 -0.95 -1.26 119.26 124.45 1jry h ALA 145 Ca 0.21 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1jry h ALA 145 Cb 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1jry h ALA 145 CO -0.21 -0.37 0.00 1.15 0.00 0.00 0.00 179.25 179.82 1jry h THR 146 N 0.06 0.84 -0.63 0.00 2.02 -1.13 -0.01 112.91 114.06 1jry h THR 146 Ca 0.03 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1jry h THR 146 Cb 0.05 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 1jry h THR 146 CO -0.01 0.01 0.42 0.44 0.37 0.00 0.00 175.52 176.76 1jry h ASP 147 N 0.08 0.53 0.04 4.18 3.32 -0.62 0.94 116.42 124.88 1jry h ASP 147 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1jry h ASP 147 Cb 0.13 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1jry h ASP 147 CO -0.18 0.34 0.00 -1.20 -1.72 0.00 0.00 179.24 176.48 1jry n SER 148 N -4.48 0.00 0.00 6.45 7.64 -0.48 -4.90 113.62 117.85 1jry n SER 148 Ca 0.09 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1jry n SER 148 Cb 0.25 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.67 0.86 3.88 0.23 0.00 0.33 -4.94 105.19 106.22 1jry n GLY 149 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 3.65 -0.24 4.61 0.00 -0.09 -4.98 121.76 122.71 1jry s ALA 150 Ca 0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 51.96 51.43 1jry s ALA 150 Cb 0.00 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 1jry s ALA 150 CO 0.00 0.56 0.45 0.21 0.00 0.00 0.00 175.76 176.98 1jry s LYS 151 N -2.66 4.11 0.18 0.00 2.47 -1.26 -3.77 119.74 118.81 1jry s LYS 151 Ca 0.44 0.24 0.09 0.00 -1.56 0.00 0.00 55.97 55.17 1jry s LYS 151 Cb -0.12 -3.61 -0.04 0.00 -1.46 0.00 0.00 37.83 32.60 1jry s LYS 151 CO 0.22 -0.21 -0.08 0.08 0.16 0.00 0.00 175.35 175.52 1jry s VAL 152 N 1.86 3.28 -0.09 4.02 1.01 -1.26 -1.58 120.40 127.64 1jry s VAL 152 Ca 0.20 -1.61 0.03 0.00 0.00 0.00 0.00 61.98 60.60 1jry s VAL 152 Cb -0.15 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1jry s VAL 152 CO 0.09 -0.10 -0.19 -0.63 0.00 0.00 0.00 175.10 174.26 1jry s ILE 153 N -1.69 1.69 -0.22 2.22 1.01 -0.13 -3.99 121.20 120.09 1jry s ILE 153 Ca 0.25 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 1jry s ILE 153 Cb -0.09 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.91 1jry s ILE 153 CO 0.16 0.48 -0.11 -0.22 0.00 0.00 0.00 174.94 175.25 1jry s LEU 154 N 0.49 2.76 0.09 2.97 2.96 0.50 0.42 118.68 128.85 1jry s LEU 154 Ca -0.17 -0.69 0.05 0.00 -0.22 0.00 0.00 54.13 53.11 1jry s LEU 154 Cb -0.17 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1jry s LEU 154 CO 0.07 -0.06 -0.02 0.27 -1.32 0.00 0.00 176.35 175.29 1jry s ILE 155 N 1.35 3.90 -0.04 6.68 -4.36 -0.05 -0.43 121.20 128.26 1jry s ILE 155 Ca 0.03 -1.03 -0.00 0.00 -0.26 0.00 0.00 60.65 59.39 1jry s ILE 155 Cb -0.15 -2.85 0.03 0.00 1.25 0.00 0.00 42.46 40.74 1jry s ILE 155 CO -0.07 0.13 0.01 -0.70 0.24 0.00 0.00 174.94 174.54 1jry s GLU 156 N -2.26 0.33 0.23 0.37 2.56 -0.32 -0.10 118.70 119.51 1jry s GLU 156 Ca 0.25 0.11 0.01 0.00 0.00 0.00 0.00 54.97 55.34 1jry s GLU 156 Cb -0.12 -0.58 0.25 0.00 2.00 0.00 0.00 34.13 35.68 1jry s GLU 156 CO 0.17 -0.18 1.59 1.57 -0.56 0.00 0.00 175.26 177.85 1jry h LYS 157 N 7.57 0.44 -7.37 4.30 2.10 -1.80 -0.75 116.57 121.07 1jry h LYS 157 Ca -0.35 -0.24 -0.48 0.00 -2.00 0.00 0.00 60.65 57.59 1jry h LYS 157 Cb 1.13 0.01 0.14 0.00 -0.90 0.00 0.00 32.23 32.61 1jry h LYS 157 CO 0.40 0.82 0.26 -1.21 -2.00 0.00 0.00 179.45 177.72 1jry s GLU 158 N -4.10 1.26 0.36 0.07 0.41 -1.26 -3.79 118.70 111.65 1jry s GLU 158 Ca -0.06 0.68 0.26 0.00 -0.41 0.00 0.00 54.97 55.44 1jry s GLU 158 Cb 0.12 -1.82 0.79 0.00 -1.78 0.00 0.00 34.13 31.44 1jry s GLU 158 CO 0.81 -2.20 1.75 -1.00 -0.49 0.00 0.00 175.26 174.13 1jry h PRO 159 N -1.51 0.00 -6.28 0.39 0.13 -1.94 -2.36 132.00 120.42 1jry h PRO 159 Ca -0.50 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.04 1jry h PRO 159 Cb 1.29 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.24 1jry h PRO 159 CO 0.57 0.00 -0.80 0.14 -0.23 0.00 0.00 178.00 177.67 1jry s VAL 160 N -3.28 2.09 0.92 1.56 -7.23 -1.26 -4.71 120.40 108.49 1jry s VAL 160 Ca 0.07 -1.97 -0.14 0.00 -1.81 0.00 0.00 61.98 58.13 1jry s VAL 160 Cb 0.09 -1.98 0.19 0.00 0.56 0.00 0.00 36.38 35.24 1jry s VAL 160 CO 0.58 -0.21 1.27 0.27 -0.31 0.00 0.00 175.10 176.70 1jry s ILE 161 N -1.84 2.02 0.00 -0.62 -4.36 -1.26 -4.70 121.20 110.44 1jry s ILE 161 Ca 0.18 -0.09 0.00 0.00 -0.26 0.00 0.00 60.65 60.48 1jry s ILE 161 Cb -0.07 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 40.71 1jry s ILE 161 CO 0.08 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.87 1jry n GLY 162 N -3.62 2.10 7.00 6.27 0.00 0.62 -4.92 105.19 112.65 1jry n GLY 162 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 2.32 0.19 -0.02 0.00 -1.26 -0.94 105.19 103.48 1jry n GLY 163 Ca 0.00 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 2.66 0.00 -0.59 1.61 2.35 -1.96 -3.36 115.58 116.30 1jry h ASN 164 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1jry h ASN 164 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1jry h ASN 164 CO 0.00 0.02 0.35 0.00 -1.65 0.00 0.00 177.43 176.14 1jry h ALA 165 N 1.98 1.47 0.00 -0.83 0.00 -1.43 -1.46 119.26 118.99 1jry h ALA 165 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jry h ALA 165 Cb 1.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1jry h ALA 165 CO 0.00 0.45 0.00 0.36 0.00 0.00 0.00 179.25 180.06 1jry n LYS 166 N -4.40 0.15 0.00 0.00 2.85 -0.68 -1.98 118.16 114.11 1jry n LYS 166 Ca 0.06 0.55 0.11 0.00 -1.05 0.00 0.00 58.31 57.98 1jry n LYS 166 Cb 0.09 -1.91 0.07 0.00 -0.65 0.00 0.00 35.03 32.63 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 -2.22 0.88 -4.69 -5.58 4.77 -0.55 -1.36 117.00 108.24 1jry n LEU 167 Ca -0.00 -0.30 -0.40 0.00 -0.03 0.00 0.00 56.01 55.28 1jry n LEU 167 Cb 0.10 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1jry n LEU 167 CO 0.13 0.20 0.83 0.00 -1.33 0.00 0.00 177.39 177.23 1jry n ALA 168 N -1.33 1.11 0.02 -1.18 0.00 -0.84 -4.84 120.51 113.46 1jry n ALA 168 Ca 0.06 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1jry n ALA 168 Cb 0.34 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1jry n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jry n ALA 169 N -0.68 3.00 -0.08 0.00 0.00 -1.26 -0.86 120.51 120.63 1jry n ALA 169 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.66 1jry n ALA 169 Cb 0.42 0.08 0.52 0.00 0.00 0.00 0.00 19.45 20.47 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 0.00 0.53 0.00 0.00 0.00 -1.93 -1.79 103.07 99.89 1jry h GLY 170 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1jry h GLY 170 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.24 1jry n GLY 171 N -1.53 0.72 3.05 4.60 0.00 -1.26 -4.67 105.19 106.09 1jry n GLY 171 Ca 0.10 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.44 2.14 0.37 1.61 1.75 0.17 -4.22 119.30 119.69 1jry s MET 172 Ca 0.00 -1.28 -0.27 0.00 -1.25 0.00 0.00 55.69 52.89 1jry s MET 172 Cb 0.00 -2.83 -0.09 0.00 2.84 0.00 0.00 34.83 34.75 1jry s MET 172 CO 0.00 -0.57 1.21 -0.80 -0.65 0.00 0.00 175.02 174.21 1jry s ASN 173 N 1.15 6.63 -0.16 1.11 0.01 -0.34 -0.31 114.94 123.03 1jry s ASN 173 Ca -0.08 2.46 -0.30 0.00 -0.71 0.00 0.00 52.86 54.24 1jry s ASN 173 Cb -0.20 -2.63 0.12 0.00 0.41 0.00 0.00 41.25 38.95 1jry s ASN 173 CO -0.05 -0.61 0.95 0.00 -1.51 0.00 0.00 177.10 175.88 1jry s ALA 174 N -1.30 -1.91 0.18 0.60 0.00 -0.58 -4.64 121.76 114.12 1jry s ALA 174 Ca 0.54 1.59 0.01 0.00 0.00 0.00 0.00 51.96 54.09 1jry s ALA 174 Cb -0.34 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1jry s ALA 174 CO 0.44 -0.31 0.05 0.00 0.00 0.00 0.00 175.76 175.94 1jry s ALA 175 N -0.93 1.29 -0.91 0.00 0.00 -1.26 -4.60 121.76 115.35 1jry s ALA 175 Ca -0.03 -1.64 -0.26 0.00 0.00 0.00 0.00 51.96 50.03 1jry s ALA 175 Cb -0.01 0.85 -0.17 0.00 0.00 0.00 0.00 23.12 23.79 1jry s ALA 175 CO 0.02 -0.43 2.29 -0.46 0.00 0.00 0.00 175.76 177.18 1jry s TRP 176 N -3.84 1.18 0.61 0.00 -0.00 -1.26 -3.87 118.94 111.76 1jry s TRP 176 Ca 0.29 2.10 -0.06 0.00 -0.00 0.00 0.00 56.10 58.43 1jry s TRP 176 Cb 0.07 -3.40 0.02 0.00 -0.00 0.00 0.00 33.47 30.16 1jry s TRP 176 CO 0.07 -1.22 0.92 0.95 -0.00 0.00 0.00 176.95 177.67 1jry s THR 177 N 15.61 3.31 0.37 5.86 -4.23 -1.26 -4.96 115.64 130.35 1jry s THR 177 Ca 0.88 -0.08 0.11 0.00 -1.18 0.00 0.00 61.69 61.41 1jry s THR 177 Cb -0.10 -3.34 0.11 0.00 1.34 0.00 0.00 72.50 70.51 1jry s THR 177 CO 0.12 -0.34 1.84 0.44 -0.54 0.00 0.00 174.62 176.13 1jry h ASP 178 N -0.26 0.10 -0.44 3.99 3.45 -1.99 -2.02 116.42 119.25 1jry h ASP 178 Ca -0.45 -0.03 -0.06 0.00 0.43 0.00 0.00 57.03 56.92 1jry h ASP 178 Cb 1.27 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.99 1jry h ASP 178 CO 0.60 0.41 0.08 1.56 -1.57 0.00 0.00 179.24 180.32 1jry h GLN 179 N 0.09 0.80 -0.15 3.56 7.50 -1.92 -0.54 115.11 124.45 1jry h GLN 179 Ca 0.01 -0.18 -0.08 0.00 0.50 0.00 0.00 58.65 58.90 1jry h GLN 179 Cb 0.59 -0.11 -0.00 0.00 0.05 0.00 0.00 27.48 28.01 1jry h GLN 179 CO 0.04 0.75 -0.22 1.96 -1.50 0.00 0.00 178.83 179.87 1jry h GLN 180 N 0.76 0.41 -0.57 1.46 4.20 -1.74 -3.06 115.11 116.57 1jry h GLN 180 Ca 0.16 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1jry h GLN 180 Cb 0.35 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1jry h GLN 180 CO 0.01 0.83 0.28 0.87 -0.67 0.00 0.00 178.83 180.14 1jry h LYS 181 N 0.03 0.80 0.00 1.46 1.57 -1.07 0.11 116.57 119.46 1jry h LYS 181 Ca 0.02 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1jry h LYS 181 Cb 0.78 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1jry h LYS 181 CO 0.05 0.61 -0.10 0.00 -0.57 0.00 0.00 179.45 179.45 1jry h ALA 182 N 1.51 1.52 -0.38 3.86 0.00 -1.03 -0.49 119.26 124.25 1jry h ALA 182 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jry h ALA 182 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jry h ALA 182 CO -0.03 0.12 0.00 1.63 0.00 0.00 0.00 179.25 180.97 1jry n LYS 183 N -3.96 2.44 -2.04 0.00 5.02 0.05 -4.95 118.16 114.71 1jry n LYS 183 Ca -0.02 -2.24 -0.05 0.00 -2.02 0.00 0.00 58.31 53.98 1jry n LYS 183 Cb 0.19 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1jry n LYS 183 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jry n LYS 184 N 1.39 -0.42 -3.80 1.97 5.02 -0.19 -5.02 118.16 117.11 1jry n LYS 184 Ca 0.18 0.29 -0.36 0.00 -2.02 0.00 0.00 58.31 56.40 1jry n LYS 184 Cb 0.58 -4.08 -0.06 0.00 -0.02 0.00 0.00 35.03 31.46 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 -2.26 5.37 -0.18 -0.18 1.01 0.16 -4.99 121.20 120.13 1jry s ILE 185 Ca 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 1jry s ILE 185 Cb 0.00 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1jry s ILE 185 CO 0.00 0.47 -0.07 -0.89 0.00 0.00 0.00 174.94 174.45 1jry s THR 186 N -1.19 3.36 0.20 2.92 2.01 -1.26 -3.99 115.64 117.69 1jry s THR 186 Ca 0.23 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 1jry s THR 186 Cb -0.13 -2.48 0.01 0.00 0.01 0.00 0.00 72.50 69.91 1jry s THR 186 CO 0.12 0.47 0.28 -0.67 -0.69 0.00 0.00 174.62 174.13 1jry n ASP 187 N 4.13 -0.79 -3.50 3.53 -0.08 -1.26 -4.94 116.55 113.64 1jry n ASP 187 Ca -0.18 -2.09 -0.14 0.00 -1.51 0.00 0.00 54.79 50.87 1jry n ASP 187 Cb 0.52 1.47 -0.04 0.00 2.34 0.00 0.00 41.12 45.41 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 -2.25 -0.54 0.25 1.67 1.04 -1.26 -4.63 113.70 107.97 1jry s SER 188 Ca 0.17 0.37 -0.06 0.00 0.48 0.00 0.00 55.95 56.91 1jry s SER 188 Cb -0.01 0.49 0.29 0.00 0.10 0.00 0.00 66.02 66.89 1jry s SER 188 CO 0.12 -0.65 1.91 -0.65 0.98 0.00 0.00 173.24 174.94 1jry h PRO 189 N 2.52 1.21 -0.55 4.02 0.11 -1.86 -2.09 132.00 135.36 1jry h PRO 189 Ca -0.26 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 65.81 1jry h PRO 189 Cb 1.20 -0.27 -0.04 0.00 0.11 0.00 0.00 31.00 32.00 1jry h PRO 189 CO 0.36 0.80 0.31 0.93 -0.21 0.00 0.00 178.00 180.19 1jry h GLU 190 N 1.25 0.59 -0.19 1.05 3.07 -1.95 0.13 114.58 118.53 1jry h GLU 190 Ca 0.38 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 59.08 1jry h GLU 190 Cb -0.05 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 1jry h GLU 190 CO -0.11 0.39 -0.39 1.25 -1.40 0.00 0.00 179.01 178.75 1jry h LEU 191 N 0.60 0.43 -0.06 1.33 5.85 -1.79 -1.17 115.31 120.51 1jry h LEU 191 Ca 0.23 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1jry h LEU 191 Cb 0.08 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1jry h LEU 191 CO -0.13 0.78 0.02 -0.03 -0.34 0.00 0.00 178.44 178.74 1jry h MET 192 N 0.35 0.09 -0.20 1.25 4.05 -1.05 0.30 114.93 119.71 1jry h MET 192 Ca 0.03 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.48 1jry h MET 192 Cb 0.83 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.57 1jry h MET 192 CO 0.07 0.28 -0.12 0.35 0.23 0.00 0.00 176.91 177.72 1jry h PHE 193 N -0.12 -0.29 -0.23 1.39 3.04 -0.46 -0.67 116.94 119.62 1jry h PHE 193 Ca 0.02 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.03 1jry h PHE 193 Cb 0.23 0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.86 1jry h PHE 193 CO 0.00 -0.18 0.01 1.49 -2.02 0.00 0.00 178.31 177.61 1jry h GLU 194 N -0.10 0.08 -0.75 1.11 4.81 -0.99 -0.92 114.58 117.82 1jry h GLU 194 Ca 0.12 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1jry h GLU 194 Cb 0.28 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1jry h GLU 194 CO -0.27 0.05 0.49 -0.44 -0.73 0.00 0.00 179.01 178.11 1jry h ASP 195 N 0.08 0.84 -0.16 1.04 3.45 -0.12 -2.21 116.42 119.34 1jry h ASP 195 Ca 0.11 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.54 1jry h ASP 195 Cb 0.13 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 1jry h ASP 195 CO -0.17 0.60 0.05 0.74 -1.57 0.00 0.00 179.24 178.89 1jry h THR 196 N 0.99 1.19 -0.58 0.35 2.02 -0.85 0.31 112.91 116.34 1jry h THR 196 Ca 0.28 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 1jry h THR 196 Cb -0.09 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1jry h THR 196 CO -0.07 0.18 0.18 0.24 0.37 0.00 0.00 175.52 176.41 1jry h MET 197 N 0.08 0.90 -0.51 6.66 2.86 -1.13 0.19 114.93 123.97 1jry h MET 197 Ca 0.05 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1jry h MET 197 Cb 0.23 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1jry h MET 197 CO -0.00 0.81 0.14 -0.22 1.06 0.00 0.00 176.91 178.70 1jry h LYS 198 N 0.81 0.81 -0.31 1.72 3.64 -1.23 0.50 116.57 122.52 1jry h LYS 198 Ca 0.19 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1jry h LYS 198 Cb 0.29 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1jry h LYS 198 CO -0.01 0.77 -0.03 0.78 -2.27 0.00 0.00 179.45 178.70 1jry h GLY 199 N 0.71 0.53 -0.65 5.01 0.00 0.28 -0.95 103.07 108.01 1jry h GLY 199 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1jry h GLY 199 CO -0.00 0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.45 1jry n GLY 200 N -0.85 -0.06 2.64 4.60 0.00 0.61 -4.24 105.19 107.88 1jry n GLY 200 Ca 0.01 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 0.06 -3.10 -1.94 1.61 6.02 -0.36 -1.59 117.38 118.07 1jry n GLN 201 Ca 0.09 0.82 -0.17 0.00 -0.01 0.00 0.00 57.00 57.74 1jry n GLN 201 Cb 0.19 -5.39 -0.04 0.00 1.02 0.00 0.00 30.24 26.02 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 -1.73 -4.73 0.04 1.08 3.02 0.17 -4.81 115.26 108.30 1jry n ASN 202 Ca -0.15 0.25 -0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1jry n ASN 202 Cb 0.63 -4.12 -0.08 0.00 -0.61 0.00 0.00 39.78 35.60 1jry n ASN 202 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1jry h ILE 203 N 0.00 0.58 -3.50 2.41 1.08 -1.72 -3.48 117.51 112.87 1jry h ILE 203 Ca -0.38 -2.09 -0.57 0.00 -0.39 0.00 0.00 64.86 61.44 1jry h ILE 203 Cb 1.20 2.11 0.14 0.00 -3.07 0.00 0.00 36.82 37.20 1jry h ILE 203 CO 0.49 0.33 0.28 0.59 -0.69 0.00 0.00 178.15 179.15 1jry n ASN 204 N -2.94 1.54 -4.63 1.72 5.03 -1.26 -4.74 115.26 109.97 1jry n ASN 204 Ca -0.09 0.95 -0.43 0.00 0.87 0.00 0.00 54.58 55.89 1jry n ASN 204 Cb 0.84 -1.43 -0.02 0.00 -1.02 0.00 0.00 39.78 38.15 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 -0.92 6.62 0.37 6.41 3.68 0.36 -4.88 116.67 128.31 1jry s ASP 205 Ca 0.69 1.34 0.09 0.00 2.13 0.00 0.00 52.55 56.80 1jry s ASP 205 Cb -0.47 -2.54 0.83 0.00 -1.45 0.00 0.00 42.92 39.29 1jry s ASP 205 CO 0.52 -1.10 1.91 -0.65 0.13 0.00 0.00 175.17 175.98 1jry h PRO 206 N 9.55 0.65 -0.48 4.34 0.11 -1.90 -0.94 132.00 143.33 1jry h PRO 206 Ca -0.28 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.67 1jry h PRO 206 Cb 1.11 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1jry h PRO 206 CO 1.02 0.43 -0.20 0.00 -0.21 0.00 0.00 178.00 179.05 1jry h ALA 207 N 1.61 0.74 -0.41 -0.75 0.00 -1.95 -0.71 119.26 117.78 1jry h ALA 207 Ca 0.38 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1jry h ALA 207 Cb 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1jry h ALA 207 CO -0.15 0.67 -0.10 -0.07 0.00 0.00 0.00 179.25 179.60 1jry h LEU 208 N 0.84 0.80 -1.37 0.00 4.07 -1.66 -2.64 115.31 115.36 1jry h LEU 208 Ca 0.11 -0.36 -0.07 0.00 0.08 0.00 0.00 57.88 57.65 1jry h LEU 208 Cb 0.76 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.27 1jry h LEU 208 CO 0.06 0.98 -0.31 0.58 -1.08 0.00 0.00 178.44 178.67 1jry h VAL 209 N 0.62 1.21 -0.15 1.22 2.07 -1.12 -0.50 116.25 119.61 1jry h VAL 209 Ca 0.10 -1.08 -0.10 0.00 0.82 0.00 0.00 66.70 66.44 1jry h VAL 209 Cb 0.63 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1jry h VAL 209 CO 0.04 0.31 -0.35 0.50 0.02 0.00 0.00 177.57 178.09 1jry h LYS 210 N 0.00 0.30 0.03 1.57 3.64 -0.98 0.51 116.57 121.64 1jry h LYS 210 Ca -0.00 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1jry h LYS 210 Cb 0.56 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1jry h LYS 210 CO 0.04 0.62 -0.02 0.28 -2.27 0.00 0.00 179.45 178.10 1jry h VAL 211 N 0.26 1.31 -0.42 2.00 2.07 -1.04 -1.77 116.25 118.66 1jry h VAL 211 Ca 0.03 -1.12 0.08 0.00 0.82 0.00 0.00 66.70 66.51 1jry h VAL 211 Cb 0.74 2.05 -0.09 0.00 -1.52 0.00 0.00 31.29 32.47 1jry h VAL 211 CO 0.06 0.28 -0.39 0.25 0.02 0.00 0.00 177.57 177.79 1jry h LEU 212 N -0.54 -1.28 -0.22 2.57 5.85 -0.73 -0.06 115.31 120.89 1jry h LEU 212 Ca -0.00 0.21 -0.15 0.00 0.84 0.00 0.00 57.88 58.78 1jry h LEU 212 Cb 0.50 0.58 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1jry h LEU 212 CO 0.01 -0.35 -0.43 0.77 -0.34 0.00 0.00 178.44 178.10 1jry h SER 213 N -0.29 0.76 0.42 1.25 4.64 -0.90 -2.94 113.55 116.50 1jry h SER 213 Ca 0.16 -0.55 -0.11 0.00 -0.47 0.00 0.00 61.79 60.82 1jry h SER 213 Cb 0.57 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1jry h SER 213 CO -0.57 1.16 -0.50 0.77 -0.87 0.00 0.00 176.83 176.83 1jry h SER 214 N 0.38 0.09 0.16 4.97 4.64 -1.20 -2.76 113.55 119.83 1jry h SER 214 Ca 0.01 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1jry h SER 214 Cb 1.03 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1jry h SER 214 CO 0.10 0.58 -0.21 1.41 -0.87 0.00 0.00 176.83 177.83 1jry n HIS 215 N -3.95 0.00 -0.08 4.77 -0.00 -0.05 -4.52 115.22 111.39 1jry n HIS 215 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.60 1jry n HIS 215 Cb 0.52 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.99 30.40 1jry n HIS 215 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1jry h SER 216 N 1.63 0.34 -0.52 0.41 4.64 -1.29 0.91 113.55 119.67 1jry h SER 216 Ca 0.00 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1jry h SER 216 Cb 0.53 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1jry h SER 216 CO 0.00 0.38 0.31 0.50 -0.87 0.00 0.00 176.83 177.15 1jry h LYS 217 N 0.29 0.70 -0.93 4.77 3.64 -1.77 -1.53 116.57 121.73 1jry h LYS 217 Ca 0.09 -0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.49 1jry h LYS 217 Cb 0.13 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 1jry h LYS 217 CO -0.01 0.51 0.60 -0.44 -2.27 0.00 0.00 179.45 177.84 1jry h ASP 218 N 0.69 0.89 -0.16 4.20 3.32 -1.72 0.10 116.42 123.74 1jry h ASP 218 Ca 0.19 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 1jry h ASP 218 Cb -0.02 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1jry h ASP 218 CO -0.04 0.53 -0.43 0.28 -1.72 0.00 0.00 179.24 177.87 1jry h SER 219 N 0.99 0.76 -0.24 6.45 0.02 -0.36 0.11 113.55 121.28 1jry h SER 219 Ca 0.42 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1jry h SER 219 Cb 0.33 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1jry h SER 219 CO -0.18 1.08 0.07 0.58 -1.14 0.00 0.00 176.83 177.24 1jry h VAL 220 N 0.58 1.20 -0.96 2.27 2.07 -0.27 -1.75 116.25 119.39 1jry h VAL 220 Ca 0.04 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 66.99 1jry h VAL 220 Cb 0.97 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 1jry h VAL 220 CO 0.09 0.20 0.63 0.44 0.02 0.00 0.00 177.57 178.95 1jry h ASP 221 N 0.21 1.01 -0.40 0.57 3.32 -0.46 -1.35 116.42 119.32 1jry h ASP 221 Ca 0.08 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1jry h ASP 221 Cb 0.24 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1jry h ASP 221 CO -0.00 0.66 -0.08 -0.25 -1.72 0.00 0.00 179.24 177.85 1jry h TRP 222 N 1.15 0.86 -0.12 4.55 7.01 -0.68 0.13 115.95 128.85 1jry h TRP 222 Ca 0.40 -0.18 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 1jry h TRP 222 Cb 0.11 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 1jry h TRP 222 CO -0.00 0.89 0.05 0.52 -2.79 0.00 0.00 178.44 177.11 1jry h MET 223 N 0.58 0.19 -0.84 2.65 2.86 -1.21 -1.95 114.93 117.21 1jry h MET 223 Ca 0.10 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1jry h MET 223 Cb 0.60 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 1jry h MET 223 CO 0.04 0.29 0.53 1.15 1.06 0.00 0.00 176.91 179.98 1jry h THR 224 N 0.04 1.23 -0.01 2.22 2.02 -1.08 -0.46 112.91 116.87 1jry h THR 224 Ca 0.04 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 1jry h THR 224 Cb 0.17 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1jry h THR 224 CO -0.00 0.23 -0.20 0.00 0.37 0.00 0.00 175.52 175.91 1jry h ALA 225 N 1.29 1.66 0.00 6.16 0.00 -0.82 0.12 119.26 127.67 1jry h ALA 225 Ca 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jry h ALA 225 Cb -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1jry h ALA 225 CO -0.06 0.26 0.00 -1.33 0.00 0.00 0.00 179.25 178.12 1jry n MET 226 N -4.30 0.29 0.00 0.00 2.81 -0.75 -4.88 117.12 110.30 1jry n MET 226 Ca -0.02 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1jry n MET 226 Cb 0.26 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 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 0.92 1.10 3.79 3.03 0.00 0.42 -4.91 105.19 109.55 1jry n GLY 227 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 3.10 -0.44 4.61 0.00 -0.25 -4.95 121.76 121.82 1jry s ALA 228 Ca 0.00 0.63 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 1jry s ALA 228 Cb 0.00 -3.24 0.08 0.00 0.00 0.00 0.00 23.12 19.96 1jry s ALA 228 CO 0.00 -0.10 0.32 0.34 0.00 0.00 0.00 175.76 176.32 1jry s ASP 229 N -1.66 5.85 -0.23 0.00 2.15 -1.26 -4.21 116.67 117.30 1jry s ASP 229 Ca 0.57 -1.47 0.12 0.00 0.43 0.00 0.00 52.55 52.20 1jry s ASP 229 Cb -0.20 -2.07 0.45 0.00 -0.30 0.00 0.00 42.92 40.80 1jry s ASP 229 CO 0.25 -0.60 1.19 0.18 -0.17 0.00 0.00 175.17 176.02 1jry n LEU 230 N 5.03 3.44 0.04 -1.34 4.77 -1.26 -2.62 117.00 125.05 1jry n LEU 230 Ca -0.11 -4.03 0.13 0.00 -0.03 0.00 0.00 56.01 51.96 1jry n LEU 230 Cb 0.43 -0.30 0.35 0.00 -2.33 0.00 0.00 43.42 41.57 1jry n LEU 230 CO 0.43 1.61 0.64 0.35 -1.33 0.00 0.00 177.39 179.08 1jry n THR 231 N -0.75 0.22 -3.05 -5.08 -2.24 -1.11 -4.01 114.28 98.27 1jry n THR 231 Ca 0.28 -0.14 -0.41 0.00 -2.27 0.00 0.00 64.05 61.52 1jry n THR 231 Cb 0.86 -0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 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 -3.66 6.73 -0.27 3.42 2.15 0.18 -4.92 116.67 120.30 1jry s ASP 232 Ca 0.10 0.89 -0.03 0.00 0.43 0.00 0.00 52.55 53.95 1jry s ASP 232 Cb 0.16 -2.38 0.03 0.00 -0.30 0.00 0.00 42.92 40.43 1jry s ASP 232 CO 0.64 -0.35 -0.02 -0.69 -0.17 0.00 0.00 175.17 174.58 1jry s VAL 233 N 2.20 3.13 0.39 1.11 1.01 -1.26 -0.94 120.40 126.04 1jry s VAL 233 Ca 0.31 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.36 1jry s VAL 233 Cb -0.16 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 1jry s VAL 233 CO 0.10 0.13 0.16 -0.83 0.00 0.00 0.00 175.10 174.65 1jry s GLY 234 N 1.35 2.24 0.18 4.51 0.00 0.70 -4.83 107.32 111.47 1jry s GLY 234 Ca -0.00 -2.05 -0.14 0.00 0.00 0.00 0.00 44.72 42.54 1jry s GLY 234 CO -0.02 -1.88 0.58 -0.29 0.00 0.00 0.00 173.10 171.48 1jry s MET 235 N -3.87 3.97 0.40 2.90 -2.45 -1.26 -1.19 119.30 117.79 1jry s MET 235 Ca 0.40 0.49 0.05 0.00 -1.25 0.00 0.00 55.69 55.38 1jry s MET 235 Cb 0.02 -2.84 -0.02 0.00 1.25 0.00 0.00 34.83 33.24 1jry s MET 235 CO 0.22 0.42 0.18 -1.64 1.05 0.00 0.00 175.02 175.25 1jry s MET 236 N -2.20 1.94 0.44 4.11 -1.94 -1.26 -4.28 119.30 116.10 1jry s MET 236 Ca 0.41 -2.18 -0.24 0.00 -1.71 0.00 0.00 55.69 51.97 1jry s MET 236 Cb -0.14 -0.35 -0.08 0.00 2.01 0.00 0.00 34.83 36.27 1jry s MET 236 CO 0.20 -0.56 1.20 0.20 -0.01 0.00 0.00 175.02 176.04 1jry s GLY 237 N -3.57 2.83 -1.22 -0.03 0.00 -1.26 -3.52 107.32 100.55 1jry s GLY 237 Ca 0.27 1.01 0.00 0.00 0.00 0.00 0.00 44.72 46.00 1jry s GLY 237 CO 0.18 1.51 0.00 0.61 0.00 0.00 0.00 173.10 175.40 1jry n GLY 238 N 0.56 0.52 3.34 0.20 0.00 -0.02 -4.20 105.19 105.59 1jry n GLY 238 Ca 0.06 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.57 2.32 0.09 4.61 0.00 -1.23 -4.83 121.76 120.15 1jry s ALA 239 Ca 0.00 -1.05 0.19 0.00 0.00 0.00 0.00 51.96 51.11 1jry s ALA 239 Cb 0.00 -0.74 0.62 0.00 0.00 0.00 0.00 23.12 23.00 1jry s ALA 239 CO 0.00 0.48 1.70 0.77 0.00 0.00 0.00 175.76 178.71 1jry h SER 240 N 5.72 0.00 -5.33 0.00 0.02 -1.92 -3.46 113.55 108.58 1jry h SER 240 Ca -0.39 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.44 1jry h SER 240 Cb 1.15 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.58 1jry h SER 240 CO 0.48 0.36 -0.30 0.68 -1.14 0.00 0.00 176.83 176.91 1jry s VAL 241 N -3.48 0.02 0.04 2.27 -7.23 -1.26 -5.09 120.40 105.67 1jry s VAL 241 Ca 0.01 -1.53 -0.31 0.00 -1.81 0.00 0.00 61.98 58.35 1jry s VAL 241 Cb 0.10 -2.13 -0.07 0.00 0.56 0.00 0.00 36.38 34.83 1jry s VAL 241 CO 0.68 -0.11 1.52 0.20 -0.31 0.00 0.00 175.10 177.08 1jry s ASN 242 N -3.03 6.73 0.00 4.85 -0.87 -1.26 -4.80 114.94 116.56 1jry s ASN 242 Ca 0.24 2.31 0.00 0.00 -1.57 0.00 0.00 52.86 53.84 1jry s ASN 242 Cb 0.02 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 1jry s ASN 242 CO 0.06 -0.79 0.30 -2.11 -2.57 0.00 0.00 177.10 171.99 1jry n ARG 243 N 5.34 0.00 -3.23 -0.60 1.85 -0.68 -4.84 116.66 114.50 1jry n ARG 243 Ca 0.14 -0.29 -0.43 0.00 -1.00 0.00 0.00 57.85 56.27 1jry n ARG 243 Cb 0.42 -0.27 -0.07 0.00 -1.05 0.00 0.00 32.46 31.48 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 3.40 0.25 2.89 0.00 -0.34 -1.52 121.76 126.44 1jry s ALA 244 Ca 0.00 -1.53 -0.19 0.00 0.00 0.00 0.00 51.96 50.24 1jry s ALA 244 Cb 0.00 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 1jry s ALA 244 CO 0.00 -1.76 0.74 -1.01 0.00 0.00 0.00 175.76 173.73 1jry s HIS 245 N 2.42 3.59 0.05 0.00 3.76 0.57 -0.22 115.29 125.47 1jry s HIS 245 Ca 0.15 1.38 -0.28 0.00 -0.15 0.00 0.00 55.06 56.17 1jry s HIS 245 Cb -0.17 -2.63 0.09 0.00 1.11 0.00 0.00 32.58 30.98 1jry s HIS 245 CO 0.14 0.28 0.96 -0.98 -0.85 0.00 0.00 174.74 174.29 1jry s ARG 246 N -2.19 0.92 0.84 1.40 3.03 -0.12 -0.65 118.95 122.19 1jry s ARG 246 Ca 0.46 -0.43 -0.12 0.00 2.03 0.00 0.00 55.73 57.66 1jry s ARG 246 Cb -0.15 0.36 0.10 0.00 -1.03 0.00 0.00 34.95 34.23 1jry s ARG 246 CO 0.20 -0.41 1.18 -2.14 -1.13 0.00 0.00 175.30 173.00 1jry s PRO 247 N -3.11 1.48 0.10 3.89 0.02 -1.08 0.50 135.00 136.80 1jry s PRO 247 Ca 0.09 1.67 -0.35 0.00 0.02 0.00 0.00 61.00 62.42 1jry s PRO 247 Cb -0.01 -1.77 -0.18 0.00 0.02 0.00 0.00 34.50 32.57 1jry s PRO 247 CO -0.04 -2.31 1.06 2.41 -0.33 0.00 0.00 177.00 177.79 1jry n THR 248 N -3.59 0.58 0.00 0.99 -1.04 -1.26 -1.29 114.28 108.67 1jry n THR 248 Ca 0.13 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1jry n THR 248 Cb 0.51 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 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 1.91 2.03 0.27 3.41 0.00 -1.26 -4.10 105.19 107.45 1jry n GLY 249 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 1.49 3.79 -0.02 0.00 -0.41 -1.27 105.19 106.78 1jry n GLY 250 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 2.11 0.15 4.61 0.00 -1.18 -2.32 121.76 123.14 1jry s ALA 251 Ca 0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 51.96 51.40 1jry s ALA 251 Cb 0.00 -3.10 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 1jry s ALA 251 CO 0.00 -1.87 1.46 0.20 0.00 0.00 0.00 175.76 175.55 1jry s GLY 252 N -3.89 1.88 0.23 0.00 0.00 -1.26 -4.17 107.32 100.12 1jry s GLY 252 Ca 0.61 1.24 -0.02 0.00 0.00 0.00 0.00 44.72 46.55 1jry s GLY 252 CO 0.54 2.43 1.65 -0.24 0.00 0.00 0.00 173.10 177.48 1jry h VAL 253 N 4.06 1.27 0.70 1.40 3.04 -1.33 -3.35 116.25 122.04 1jry h VAL 253 Ca -0.43 -1.32 -0.03 0.00 -1.01 0.00 0.00 66.70 63.90 1jry h VAL 253 Cb 1.21 1.25 0.01 0.00 -2.01 0.00 0.00 31.29 31.75 1jry h VAL 253 CO 0.87 0.44 -0.34 1.23 -1.01 0.00 0.00 177.57 178.76 1jry h GLY 254 N 0.98 -0.98 0.93 3.17 0.00 -1.19 -0.26 103.07 105.72 1jry h GLY 254 Ca 0.08 0.36 0.07 0.00 0.00 0.00 0.00 47.33 47.85 1jry h GLY 254 CO 0.06 -0.36 0.52 0.00 0.00 0.00 0.00 176.54 176.76 1jry h ALA 255 N -1.34 1.65 0.34 3.60 0.00 -1.38 -1.65 119.26 120.49 1jry h ALA 255 Ca -0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1jry h ALA 255 Cb 0.72 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1jry h ALA 255 CO 0.16 0.22 -0.17 1.25 0.00 0.00 0.00 179.25 180.71 1jry h HIS 256 N 0.84 -0.43 -0.56 0.00 6.17 -1.68 -1.68 115.15 117.82 1jry h HIS 256 Ca 0.35 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.45 1jry h HIS 256 Cb 0.28 0.14 -0.04 0.00 2.52 0.00 0.00 27.41 30.31 1jry h HIS 256 CO -0.00 -0.15 0.32 0.28 0.71 0.00 0.00 177.93 179.10 1jry h VAL 257 N -0.67 1.03 -0.43 5.26 2.07 -0.79 -0.90 116.25 121.82 1jry h VAL 257 Ca -0.05 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1jry h VAL 257 Cb 0.47 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1jry h VAL 257 CO 0.08 0.12 -0.01 0.58 0.02 0.00 0.00 177.57 178.35 1jry h VAL 258 N 0.64 1.23 -0.56 2.57 2.07 -1.33 -0.02 116.25 120.85 1jry h VAL 258 Ca 0.23 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1jry h VAL 258 Cb 0.06 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1jry h VAL 258 CO -0.12 0.33 0.19 -0.61 0.02 0.00 0.00 177.57 177.39 1jry h GLN 259 N 0.67 0.86 -0.13 1.57 5.75 -0.96 0.23 115.11 123.10 1jry h GLN 259 Ca 0.13 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1jry h GLN 259 Cb 0.43 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1jry h GLN 259 CO 0.02 0.77 0.08 0.28 -2.65 0.00 0.00 178.83 177.32 1jry h VAL 260 N 0.78 1.02 -0.46 2.39 2.07 -0.76 0.22 116.25 121.50 1jry h VAL 260 Ca 0.18 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 1jry h VAL 260 Cb 0.26 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1jry h VAL 260 CO -0.01 0.03 0.27 -0.07 0.02 0.00 0.00 177.57 177.81 1jry h LEU 261 N 0.16 0.56 -0.35 2.57 3.38 -0.80 0.71 115.31 121.54 1jry h LEU 261 Ca 0.05 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jry h LEU 261 Cb -0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1jry h LEU 261 CO -0.02 0.46 0.22 0.22 0.09 0.00 0.00 178.44 179.41 1jry h TYR 262 N 0.61 0.46 -0.91 1.13 3.20 -0.31 0.13 116.97 121.29 1jry h TYR 262 Ca 0.17 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1jry h TYR 262 Cb 0.01 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.07 1jry h TYR 262 CO -0.03 0.32 0.58 -0.44 -1.64 0.00 0.00 178.16 176.96 1jry h ASP 263 N 0.47 0.95 -0.27 -2.11 3.45 -0.10 -1.28 116.42 117.53 1jry h ASP 263 Ca 0.13 -0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.48 1jry h ASP 263 Cb -0.01 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.54 1jry h ASP 263 CO -0.02 0.64 -0.20 0.78 -1.57 0.00 0.00 179.24 178.87 1jry h ASN 264 N 1.11 0.74 -0.52 6.45 2.35 -0.29 -0.99 115.58 124.42 1jry h ASN 264 Ca 0.37 -0.25 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 1jry h ASN 264 Cb 0.06 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1jry h ASN 264 CO -0.14 0.93 0.02 0.00 -1.65 0.00 0.00 177.43 176.59 1jry h ALA 265 N 1.13 0.70 -0.33 -0.83 0.00 -0.04 -2.13 119.26 117.77 1jry h ALA 265 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1jry h ALA 265 Cb 0.69 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1jry h ALA 265 CO 0.05 0.50 0.20 0.28 0.00 0.00 0.00 179.25 180.29 1jry h VAL 266 N 0.78 1.10 -0.75 0.00 2.07 -1.15 0.67 116.25 118.97 1jry h VAL 266 Ca 0.15 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.53 1jry h VAL 266 Cb 0.50 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1jry h VAL 266 CO 0.02 0.10 0.49 0.50 0.02 0.00 0.00 177.57 178.71 1jry h LYS 267 N 0.43 0.71 -0.32 1.57 3.64 -1.03 0.11 116.57 121.69 1jry h LYS 267 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1jry h LYS 267 Cb -0.01 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1jry h LYS 267 CO -0.02 0.47 0.00 0.54 -2.27 0.00 0.00 179.45 178.17 1jry n ARG 268 N -4.49 1.90 -3.62 1.90 1.74 -0.80 -4.92 116.66 108.36 1jry n ARG 268 Ca 0.12 -1.38 -0.24 0.00 -0.77 0.00 0.00 57.85 55.58 1jry n ARG 268 Cb 0.28 -1.36 0.08 0.00 -1.02 0.00 0.00 32.46 30.44 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 0.60 -6.29 -4.72 0.55 4.13 0.39 -4.91 115.26 105.02 1jry n ASN 269 Ca 0.15 -0.56 -0.42 0.00 1.68 0.00 0.00 54.58 55.43 1jry n ASN 269 Cb 0.35 -4.97 -0.03 0.00 -1.54 0.00 0.00 39.78 33.59 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 -3.32 3.87 -0.58 2.41 1.01 0.12 -4.91 121.20 119.80 1jry s ILE 270 Ca 0.59 1.37 -0.27 0.00 0.00 0.00 0.00 60.65 62.34 1jry s ILE 270 Cb -0.26 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 1jry s ILE 270 CO 0.74 0.12 1.78 -0.62 0.00 0.00 0.00 174.94 176.96 1jry s ASP 271 N 0.93 5.47 -0.20 3.58 -1.08 -1.26 -4.82 116.67 119.29 1jry s ASP 271 Ca 0.59 0.41 -0.02 0.00 -0.52 0.00 0.00 52.55 53.00 1jry s ASP 271 Cb -0.31 -2.53 -0.00 0.00 -1.46 0.00 0.00 42.92 38.62 1jry s ASP 271 CO 0.30 -2.20 -0.09 -0.22 0.52 0.00 0.00 175.17 173.48 1jry s LEU 272 N 8.35 2.71 -0.23 -1.34 2.96 -1.26 -0.37 118.68 129.50 1jry s LEU 272 Ca 0.66 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1jry s LEU 272 Cb -0.13 -1.67 0.04 0.00 0.50 0.00 0.00 46.19 44.93 1jry s LEU 272 CO 0.22 0.01 -0.14 -0.13 -1.32 0.00 0.00 176.35 175.00 1jry s ARG 273 N 1.27 2.65 0.63 1.98 0.52 0.43 -4.95 118.95 121.48 1jry s ARG 273 Ca 0.03 -1.07 -0.08 0.00 -0.52 0.00 0.00 55.73 54.09 1jry s ARG 273 Cb -0.14 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.55 1jry s ARG 273 CO -0.04 -0.40 0.97 -1.64 0.02 0.00 0.00 175.30 174.22 1jry s MET 274 N 1.22 3.01 -1.58 3.54 -1.94 -1.26 -1.18 119.30 121.11 1jry s MET 274 Ca -0.02 0.25 -0.14 0.00 -1.71 0.00 0.00 55.69 54.07 1jry s MET 274 Cb -0.17 -2.17 0.10 0.00 2.01 0.00 0.00 34.83 34.61 1jry s MET 274 CO -0.08 -0.77 0.88 0.09 -0.01 0.00 0.00 175.02 175.13 1jry n ASN 275 N -2.73 -3.92 -3.80 3.03 3.02 -0.39 -3.80 115.26 106.68 1jry n ASN 275 Ca 0.05 -0.87 -0.29 0.00 -0.03 0.00 0.00 54.58 53.44 1jry n ASN 275 Cb 0.57 -3.46 -0.16 0.00 -0.61 0.00 0.00 39.78 36.13 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 -3.34 0.95 -0.17 3.41 2.01 -0.60 -0.07 115.64 117.83 1jry s THR 276 Ca 0.63 -1.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.48 1jry s THR 276 Cb -0.33 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.67 1jry s THR 276 CO 0.87 -0.32 0.24 -0.60 -0.69 0.00 0.00 174.62 174.11 1jry s ARG 277 N 1.64 4.19 -0.01 4.92 3.52 -0.31 -2.59 118.95 130.30 1jry s ARG 277 Ca 0.01 -0.00 -0.30 0.00 -0.13 0.00 0.00 55.73 55.31 1jry s ARG 277 Cb -0.18 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 1jry s ARG 277 CO -0.12 0.29 1.10 0.20 -0.81 0.00 0.00 175.30 175.96 1jry s GLY 278 N 0.33 2.48 -0.14 8.12 0.00 -1.26 -0.40 107.32 116.45 1jry s GLY 278 Ca 0.14 0.62 -0.04 0.00 0.00 0.00 0.00 44.72 45.44 1jry s GLY 278 CO 0.02 1.95 -0.16 1.39 0.00 0.00 0.00 173.10 176.31 1jry n ILE 279 N 4.19 0.78 -3.70 0.90 2.08 0.19 -4.93 119.36 118.87 1jry n ILE 279 Ca 0.08 -0.24 -0.13 0.00 0.56 0.00 0.00 62.75 63.03 1jry n ILE 279 Cb 0.48 -1.42 -0.13 0.00 -0.75 0.00 0.00 39.64 37.82 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 -2.27 0.20 0.13 0.38 2.12 -0.91 -4.76 118.70 113.59 1jry s GLU 280 Ca -0.19 0.63 -0.30 0.00 0.36 0.00 0.00 54.97 55.46 1jry s GLU 280 Cb 0.07 -0.08 -0.07 0.00 0.26 0.00 0.00 34.13 34.31 1jry s GLU 280 CO 0.27 -0.20 1.18 0.08 -0.54 0.00 0.00 175.26 176.05 1jry s VAL 281 N 1.67 3.84 -0.15 3.70 1.01 -1.26 -0.83 120.40 128.38 1jry s VAL 281 Ca -0.06 1.44 -0.06 0.00 0.00 0.00 0.00 61.98 63.30 1jry s VAL 281 Cb -0.11 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1jry s VAL 281 CO -0.09 0.18 0.08 -0.76 0.00 0.00 0.00 175.10 174.51 1jry s LEU 282 N 0.34 3.95 0.15 3.92 1.02 0.17 -4.87 118.68 123.36 1jry s LEU 282 Ca 0.55 0.21 0.11 0.00 0.02 0.00 0.00 54.13 55.02 1jry s LEU 282 Cb -0.31 -1.97 -0.04 0.00 0.02 0.00 0.00 46.19 43.89 1jry s LEU 282 CO 0.33 0.28 -0.25 -0.54 0.02 0.00 0.00 176.35 176.18 1jry s LYS 283 N -0.27 1.42 0.00 1.70 1.02 -1.26 0.27 119.74 122.63 1jry s LYS 283 Ca 0.09 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.67 1jry s LYS 283 Cb -0.12 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 1jry s LYS 283 CO 0.01 0.42 0.00 -0.40 -0.92 0.00 0.00 175.35 174.46 1jry n ASP 284 N 0.67 0.00 0.03 2.83 5.68 0.20 -4.78 116.55 121.19 1jry n ASP 284 Ca -0.16 -0.58 0.10 0.00 -0.50 0.00 0.00 54.79 53.65 1jry n ASP 284 Cb 0.54 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.96 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 -1.74 0.19 -1.01 -1.12 5.75 -1.26 -1.37 116.55 115.99 1jry n ASP 285 Ca 0.00 0.53 0.09 0.00 -0.01 0.00 0.00 54.79 55.40 1jry n ASP 285 Cb 0.00 -0.58 0.24 0.00 -1.03 0.00 0.00 41.12 39.75 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 -1.70 2.76 -1.53 0.11 4.76 -1.26 -4.97 118.16 116.33 1jry n LYS 286 Ca 0.04 -2.36 -0.08 0.00 -2.87 0.00 0.00 58.31 53.04 1jry n LYS 286 Cb 0.25 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 31.99 1jry n LYS 286 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jry n GLY 287 N 1.12 0.72 3.89 0.72 0.00 -0.48 -5.03 105.19 106.13 1jry n GLY 287 Ca 0.18 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.35 5.04 0.42 2.61 -4.23 -1.26 -4.53 115.64 111.34 1jry s THR 288 Ca 0.00 -0.81 -0.26 0.00 -1.18 0.00 0.00 61.69 59.44 1jry s THR 288 Cb 0.00 -3.59 -0.09 0.00 1.34 0.00 0.00 72.50 70.17 1jry s THR 288 CO 0.00 -0.09 1.32 0.68 -0.54 0.00 0.00 174.62 175.99 1jry s VAL 289 N -1.74 2.54 0.00 2.29 -7.23 -0.43 -0.63 120.40 115.20 1jry s VAL 289 Ca 0.33 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 60.98 1jry s VAL 289 Cb -0.11 -3.28 0.00 0.00 0.56 0.00 0.00 36.38 33.55 1jry s VAL 289 CO 0.27 0.07 0.46 2.29 -0.31 0.00 0.00 175.10 177.87 1jry n LYS 290 N 0.05 -0.06 -2.75 4.82 2.85 0.14 -4.73 118.16 118.49 1jry n LYS 290 Ca 0.04 -0.54 0.00 0.00 -1.05 0.00 0.00 58.31 56.76 1jry n LYS 290 Cb 0.43 -0.84 0.00 0.00 -0.65 0.00 0.00 35.03 33.97 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 -0.08 -0.16 3.31 2.58 0.00 -1.11 -1.14 105.19 108.59 1jry n GLY 291 Ca 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.93 -0.01 0.11 -0.61 2.07 -0.40 0.46 121.20 119.89 1jry s ILE 292 Ca 0.00 0.04 -0.29 0.00 -1.41 0.00 0.00 60.65 58.99 1jry s ILE 292 Cb 0.00 -0.62 -0.06 0.00 0.13 0.00 0.00 42.46 41.91 1jry s ILE 292 CO 0.00 0.02 0.92 -0.76 -1.91 0.00 0.00 174.94 173.21 1jry s LEU 293 N 0.83 4.50 0.31 8.50 1.02 -0.01 -1.85 118.68 131.98 1jry s LEU 293 Ca -0.05 1.74 0.05 0.00 0.02 0.00 0.00 54.13 55.89 1jry s LEU 293 Cb -0.06 -3.52 -0.06 0.00 0.02 0.00 0.00 46.19 42.57 1jry s LEU 293 CO -0.06 -0.03 0.02 0.68 0.02 0.00 0.00 176.35 176.97 1jry s VAL 294 N -0.11 1.36 -0.28 -1.59 -7.23 0.48 -0.63 120.40 112.40 1jry s VAL 294 Ca 0.45 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1jry s VAL 294 Cb -0.23 -2.67 0.09 0.00 0.56 0.00 0.00 36.38 34.13 1jry s VAL 294 CO 0.29 -0.12 0.05 -0.75 -0.31 0.00 0.00 175.10 174.26 1jry s LYS 295 N -3.83 1.05 -0.01 4.82 2.20 0.46 -2.20 119.74 122.23 1jry s LYS 295 Ca 0.34 -1.11 -0.27 0.00 -0.36 0.00 0.00 55.97 54.56 1jry s LYS 295 Cb 0.07 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 34.00 1jry s LYS 295 CO 0.14 -0.85 0.86 0.20 -0.36 0.00 0.00 175.35 175.34 1jry s GLY 296 N 1.47 2.81 0.32 5.54 0.00 0.11 -1.16 107.32 116.41 1jry s GLY 296 Ca 0.05 0.37 0.06 0.00 0.00 0.00 0.00 44.72 45.20 1jry s GLY 296 CO -0.16 1.42 1.85 1.98 0.00 0.00 0.00 173.10 178.20 1jry h MET 297 N 6.54 0.79 0.00 2.90 4.05 -0.78 0.45 114.93 128.88 1jry h MET 297 Ca -0.42 -0.05 -0.31 0.00 -0.28 0.00 0.00 59.70 58.64 1jry h MET 297 Cb 1.21 -0.18 -0.06 0.00 -0.80 0.00 0.00 31.60 31.77 1jry h MET 297 CO 0.74 0.52 -2.21 0.66 0.23 0.00 0.00 176.91 176.86 1jry n TYR 298 N -4.60 0.00 0.24 1.39 4.02 -1.26 -4.65 117.16 112.30 1jry n TYR 298 Ca 0.18 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 58.14 1jry n TYR 298 Cb 0.44 -0.86 0.10 0.00 -0.02 0.00 0.00 39.34 39.00 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 -2.64 1.59 0.00 -0.72 4.01 -1.15 -5.04 118.16 114.21 1jry n LYS 299 Ca -0.28 -1.60 0.00 0.00 -0.51 0.00 0.00 58.31 55.91 1jry n LYS 299 Cb 1.06 -1.27 0.00 0.00 -0.51 0.00 0.00 35.03 34.31 1jry n LYS 299 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jry n GLY 300 N 0.70 -2.20 3.77 0.72 0.00 0.14 -4.85 105.19 103.47 1jry n GLY 300 Ca 0.10 -1.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.23 3.05 0.14 1.61 1.51 -1.26 -0.71 117.35 121.46 1jry s TYR 301 Ca 0.00 1.58 -0.25 0.00 -1.01 0.00 0.00 57.07 57.39 1jry s TYR 301 Cb 0.00 -3.30 0.07 0.00 -0.11 0.00 0.00 41.96 38.62 1jry s TYR 301 CO 0.00 -1.16 0.78 1.52 -1.11 0.00 0.00 175.55 175.58 1jry s TYR 302 N -1.55 -0.32 0.19 2.71 -0.85 -0.93 -4.84 117.35 111.74 1jry s TYR 302 Ca 0.60 0.06 0.10 0.00 -0.52 0.00 0.00 57.07 57.31 1jry s TYR 302 Cb -0.27 0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 1jry s TYR 302 CO 0.33 -0.84 -0.20 1.67 -1.52 0.00 0.00 175.55 174.99 1jry s TRP 303 N -3.51 2.01 -0.14 -3.49 1.48 -1.26 -0.39 118.94 113.64 1jry s TRP 303 Ca 0.07 -0.42 0.02 0.00 -1.06 0.00 0.00 56.10 54.70 1jry s TRP 303 Cb -0.02 -0.98 0.01 0.00 -1.16 0.00 0.00 33.47 31.31 1jry s TRP 303 CO -0.04 0.43 -0.21 0.08 -4.06 0.00 0.00 176.95 173.14 1jry s VAL 304 N -2.02 2.18 0.04 -0.66 1.01 -0.77 0.45 120.40 120.63 1jry s VAL 304 Ca 0.19 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.97 1jry s VAL 304 Cb -0.06 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 1jry s VAL 304 CO 0.08 0.54 0.82 -0.75 0.00 0.00 0.00 175.10 175.80 1jry s LYS 305 N 0.78 4.53 -0.01 2.72 2.20 -0.30 -1.27 119.74 128.38 1jry s LYS 305 Ca -0.08 1.15 -0.29 0.00 -0.36 0.00 0.00 55.97 56.40 1jry s LYS 305 Cb -0.16 -3.39 0.08 0.00 -1.51 0.00 0.00 37.83 32.86 1jry s LYS 305 CO -0.01 0.20 0.73 0.00 -0.36 0.00 0.00 175.35 175.91 1jry s ALA 306 N 0.19 -1.76 0.21 3.13 0.00 -0.29 -1.48 121.76 121.77 1jry s ALA 306 Ca 0.42 1.13 0.06 0.00 0.00 0.00 0.00 51.96 53.56 1jry s ALA 306 Cb -0.21 0.15 0.16 0.00 0.00 0.00 0.00 23.12 23.22 1jry s ALA 306 CO 0.24 -0.49 1.49 -0.44 0.00 0.00 0.00 175.76 176.57 1jry h ASP 307 N 2.60 0.15 -4.35 0.00 3.32 -1.38 -3.05 116.42 113.71 1jry h ASP 307 Ca -0.27 -0.11 -0.31 0.00 0.02 0.00 0.00 57.03 56.37 1jry h ASP 307 Cb 1.19 -0.05 -0.25 0.00 0.22 0.00 0.00 39.33 40.45 1jry h ASP 307 CO 0.37 0.83 -0.75 0.00 -1.72 0.00 0.00 179.24 177.97 1jry s ALA 308 N -3.44 0.56 -0.08 3.45 0.00 -0.84 -4.57 121.76 116.84 1jry s ALA 308 Ca -0.02 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.43 1jry s ALA 308 Cb 0.11 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1jry s ALA 308 CO 0.80 0.06 -0.11 0.08 0.00 0.00 0.00 175.76 176.58 1jry s VAL 309 N -0.78 1.09 -0.28 0.00 1.01 -0.05 -1.76 120.40 119.64 1jry s VAL 309 Ca -0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1jry s VAL 309 Cb -0.06 -1.03 0.04 0.00 0.00 0.00 0.00 36.38 35.33 1jry s VAL 309 CO 0.00 0.35 -0.03 -0.63 0.00 0.00 0.00 175.10 174.79 1jry s ILE 310 N 0.90 2.89 -0.21 2.22 1.01 -0.41 -0.51 121.20 127.09 1jry s ILE 310 Ca -0.10 -1.26 -0.25 0.00 0.00 0.00 0.00 60.65 59.04 1jry s ILE 310 Cb -0.15 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 1jry s ILE 310 CO 0.01 0.02 0.81 -0.76 0.00 0.00 0.00 174.94 175.02 1jry s LEU 311 N 1.27 4.13 -0.33 2.97 1.02 0.79 -0.74 118.68 127.78 1jry s LEU 311 Ca -0.03 1.08 0.17 0.00 0.02 0.00 0.00 54.13 55.36 1jry s LEU 311 Cb -0.19 -3.18 0.45 0.00 0.02 0.00 0.00 46.19 43.29 1jry s LEU 311 CO -0.03 -0.44 0.95 0.00 0.02 0.00 0.00 176.35 176.85 1jry n ALA 312 N 5.58 3.50 1.31 4.21 0.00 0.32 -1.71 120.51 133.72 1jry n ALA 312 Ca 0.04 -3.23 0.12 0.00 0.00 0.00 0.00 53.44 50.37 1jry n ALA 312 Cb 0.48 -0.91 0.42 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.08 0.14 -4.13 0.00 -2.24 -1.19 -4.28 114.28 102.49 1jry n THR 313 Ca 0.12 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1jry n THR 313 Cb 0.80 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 1.15 -1.89 0.00 3.38 0.00 -1.26 -4.83 105.19 101.75 1jry n GLY 314 Ca 0.17 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 0.99 1.09 -0.02 0.00 -1.26 -3.03 105.19 102.97 1jry n GLY 315 Ca 0.00 -1.91 0.05 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 -0.16 0.00 0.45 1.61 1.16 -1.25 -3.18 117.46 116.10 1jry n PHE 316 Ca 0.00 -0.86 0.10 0.00 -1.87 0.00 0.00 57.45 54.83 1jry n PHE 316 Cb 0.00 -0.18 0.43 0.00 -1.61 0.00 0.00 39.48 38.12 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 -0.16 1.69 0.21 1.98 0.00 -1.12 -1.68 120.51 121.43 1jry n ALA 317 Ca 0.11 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1jry n ALA 317 Cb 0.95 -1.34 0.16 0.00 0.00 0.00 0.00 19.45 19.22 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 -5.58 0.00 3.11 -1.16 -3.42 116.57 109.52 1jry h LYS 318 Ca 0.00 0.00 -0.67 0.00 -2.81 0.00 0.00 60.65 57.17 1jry h LYS 318 Cb 0.34 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 31.45 1jry h LYS 318 CO 0.00 0.02 1.67 1.21 -2.81 0.00 0.00 179.45 179.54 1jry s ASN 319 N -6.19 6.78 0.42 4.20 3.84 -0.68 -4.83 114.94 118.48 1jry s ASN 319 Ca 0.07 -2.26 0.11 0.00 0.21 0.00 0.00 52.86 50.98 1jry s ASN 319 Cb 0.05 -2.52 0.90 0.00 -0.55 0.00 0.00 41.25 39.14 1jry s ASN 319 CO 0.68 -1.15 1.98 -1.13 -2.79 0.00 0.00 177.10 174.69 1jry h ASN 320 N 8.21 0.19 -0.31 -4.21 -0.73 -1.83 -0.08 115.58 116.81 1jry h ASN 320 Ca 0.32 -0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.45 1jry h ASN 320 Cb 0.93 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.45 1jry h ASN 320 CO 1.36 0.29 0.13 -0.08 -0.37 0.00 0.00 177.43 178.75 1jry h GLU 321 N 0.20 0.47 -0.33 6.67 4.81 -1.96 0.37 114.58 124.80 1jry h GLU 321 Ca 0.05 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1jry h GLU 321 Cb 0.25 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1jry h GLU 321 CO 0.01 0.47 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.62 1jry h ARG 322 N 0.36 0.62 -0.22 1.92 2.43 -1.80 -2.66 114.38 115.04 1jry h ARG 322 Ca 0.10 -0.23 0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1jry h ARG 322 Cb 0.18 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1jry h ARG 322 CO -0.01 0.78 -0.06 0.28 -1.51 0.00 0.00 179.97 179.46 1jry h VAL 323 N 0.41 0.78 0.00 0.20 2.07 -0.86 -2.50 116.25 116.35 1jry h VAL 323 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1jry h VAL 323 Cb 0.54 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1jry h VAL 323 CO 0.03 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.45 1jry h ALA 324 N 1.21 1.72 -0.61 1.67 0.00 -0.13 0.27 119.26 123.39 1jry h ALA 324 Ca 0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1jry h ALA 324 Cb 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1jry h ALA 324 CO -0.22 0.21 0.14 0.87 0.00 0.00 0.00 179.25 180.24 1jry h LYS 325 N 0.00 0.96 0.00 0.00 1.57 -1.10 -1.90 116.57 116.10 1jry h LYS 325 Ca -0.00 -0.21 -0.19 0.00 -1.87 0.00 0.00 60.65 58.38 1jry h LYS 325 Cb 0.30 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1jry h LYS 325 CO 0.02 0.86 -1.43 -0.07 -0.57 0.00 0.00 179.45 178.26 1jry h LEU 326 N 0.92 0.00 -6.37 2.94 3.38 -1.02 -3.43 115.31 111.73 1jry h LEU 326 Ca 0.20 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.75 1jry h LEU 326 Cb 0.34 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.76 1jry h LEU 326 CO 0.00 0.65 -0.73 -0.62 0.09 0.00 0.00 178.44 177.83 1jry s ASP 327 N -5.86 1.48 0.60 -0.43 3.68 0.86 -4.84 116.67 112.16 1jry s ASP 327 Ca -0.03 -1.80 0.40 0.00 2.13 0.00 0.00 52.55 53.25 1jry s ASP 327 Cb 0.09 0.35 2.14 0.00 -1.45 0.00 0.00 42.92 44.04 1jry s ASP 327 CO 0.81 -0.26 2.23 -0.65 0.13 0.00 0.00 175.17 177.43 1jry h PRO 328 N 6.91 0.00 0.00 4.34 0.11 -1.58 -0.97 132.00 140.82 1jry h PRO 328 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1jry h PRO 328 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1jry h PRO 328 CO 0.21 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.87 1jry n SER 329 N -2.94 0.33 -1.03 -2.05 3.41 -1.26 -2.64 113.62 107.43 1jry n SER 329 Ca -0.02 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 1jry n SER 329 Cb 0.09 -0.64 0.15 0.00 -0.26 0.00 0.00 64.21 63.55 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 -1.84 3.16 -4.70 1.04 4.77 -0.37 -4.94 117.00 114.13 1jry n LEU 330 Ca 0.04 -1.18 -0.43 0.00 -0.03 0.00 0.00 56.01 54.41 1jry n LEU 330 Cb 0.26 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1jry n LEU 330 CO 0.21 0.59 1.04 1.17 -1.33 0.00 0.00 177.39 179.06 1jry n LYS 331 N 1.40 2.23 -0.55 3.23 4.81 -1.08 -1.73 118.16 126.47 1jry n LYS 331 Ca 0.16 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 1jry n LYS 331 Cb 0.60 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.20 1jry n LYS 331 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jry n GLY 332 N 1.72 1.75 3.82 3.14 0.00 -1.26 -5.02 105.19 109.34 1jry n GLY 332 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.49 3.15 0.51 1.61 0.40 -0.70 -5.02 117.98 114.43 1jry s PHE 333 Ca 0.00 1.50 -0.18 0.00 -0.60 0.00 0.00 56.93 57.65 1jry s PHE 333 Cb 0.00 -2.94 -0.08 0.00 0.51 0.00 0.00 43.02 40.52 1jry s PHE 333 CO 0.00 -0.82 1.00 0.42 0.70 0.00 0.00 175.22 176.52 1jry s ILE 334 N -2.47 4.21 0.13 0.64 1.01 -1.26 -4.77 121.20 118.69 1jry s ILE 334 Ca 0.62 1.18 0.04 0.00 0.00 0.00 0.00 60.65 62.50 1jry s ILE 334 Cb -0.14 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1jry s ILE 334 CO 0.33 -0.49 0.12 -0.55 0.00 0.00 0.00 174.94 174.35 1jry s SER 335 N -2.62 5.57 0.00 3.58 0.15 -1.26 -0.14 113.70 118.98 1jry s SER 335 Ca 0.62 -0.06 0.27 0.00 0.70 0.00 0.00 55.95 57.48 1jry s SER 335 Cb -0.12 -1.49 0.77 0.00 -1.71 0.00 0.00 66.02 63.47 1jry s SER 335 CO 0.26 0.11 1.58 0.35 1.20 0.00 0.00 173.24 176.74 1jry n THR 336 N -0.00 0.00 -2.13 6.45 -2.24 -0.54 -4.87 114.28 110.96 1jry n THR 336 Ca -0.08 -0.15 -0.27 0.00 -2.27 0.00 0.00 64.05 61.28 1jry n THR 336 Cb 0.53 0.45 0.08 0.00 -2.10 0.00 0.00 70.33 69.30 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 -2.42 4.59 0.66 3.42 0.02 -1.26 -4.78 114.94 115.17 1jry s ASN 337 Ca 0.26 0.48 -0.14 0.00 -1.02 0.00 0.00 52.86 52.44 1jry s ASN 337 Cb 0.19 -1.04 -0.00 0.00 0.02 0.00 0.00 41.25 40.42 1jry s ASN 337 CO 0.49 -1.77 1.09 0.00 0.02 0.00 0.00 177.10 176.93 1jry s GLN 338 N -5.37 2.90 0.57 -0.60 1.03 -1.26 -4.94 119.66 111.98 1jry s GLN 338 Ca 0.62 1.27 0.33 0.00 0.04 0.00 0.00 55.36 57.62 1jry s GLN 338 Cb -0.10 -1.97 1.68 0.00 0.03 0.00 0.00 33.01 32.65 1jry s GLN 338 CO 0.46 -1.16 2.13 -1.00 -2.54 0.00 0.00 175.29 173.18 1jry h PRO 339 N -0.05 0.00 -0.64 9.60 0.13 -1.97 -2.73 132.00 136.33 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 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1jry h PRO 339 CO 0.55 0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 1jry n GLY 340 N -0.61 2.43 2.72 1.56 0.00 -1.26 -4.65 105.19 105.38 1jry n GLY 340 Ca -0.02 -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 0.99 5.85 0.32 4.61 0.00 -1.03 -4.55 120.51 126.70 1jry n ALA 341 Ca 0.23 -4.12 0.05 0.00 0.00 0.00 0.00 53.44 49.60 1jry n ALA 341 Cb 0.81 -3.09 0.06 0.00 0.00 0.00 0.00 19.45 17.23 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 3.42 0.17 -0.56 0.00 0.24 -1.23 -0.63 118.33 119.75 1jry n VAL 342 Ca 0.50 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1jry n VAL 342 Cb 0.34 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 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 0.54 0.69 0.28 7.63 0.00 -1.19 -4.71 105.19 108.42 1jry n GLY 343 Ca 0.07 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 0.77 -1.00 1.61 -0.00 -1.89 -2.43 116.42 113.48 1jry h ASP 344 Ca 0.00 -0.22 0.13 0.00 -0.00 0.00 0.00 57.03 56.94 1jry h ASP 344 Cb 0.00 -0.21 -0.09 0.00 -0.00 0.00 0.00 39.33 39.04 1jry h ASP 344 CO 0.00 0.89 0.63 1.23 -0.00 0.00 0.00 179.24 181.99 1jry h GLY 345 N 0.97 1.63 1.09 7.15 0.00 -1.91 0.32 103.07 112.33 1jry h GLY 345 Ca 0.13 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1jry h GLY 345 CO 0.03 0.14 0.24 1.41 0.00 0.00 0.00 176.54 178.36 1jry h LEU 346 N 0.96 1.07 -0.99 3.11 3.38 -1.77 -1.11 115.31 119.96 1jry h LEU 346 Ca 0.50 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 1jry h LEU 346 Cb 0.53 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1jry h LEU 346 CO -0.27 0.99 0.02 0.44 0.09 0.00 0.00 178.44 179.71 1jry h ASP 347 N 1.10 0.72 -0.36 -0.43 3.32 -0.60 0.68 116.42 120.84 1jry h ASP 347 Ca 0.24 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1jry h ASP 347 Cb 0.30 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1jry h ASP 347 CO -0.01 0.77 -0.01 0.58 -1.72 0.00 0.00 179.24 178.85 1jry h VAL 348 N 0.71 1.26 -0.09 -1.35 2.07 -0.77 0.94 116.25 119.02 1jry h VAL 348 Ca 0.14 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1jry h VAL 348 Cb 0.40 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1jry h VAL 348 CO 0.01 0.33 0.02 0.00 0.02 0.00 0.00 177.57 177.96 1jry h ALA 349 N 0.86 0.10 -0.76 1.67 0.00 -0.91 -2.10 119.26 118.10 1jry h ALA 349 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1jry h ALA 349 Cb 0.48 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1jry h ALA 349 CO 0.02 -0.44 0.45 0.93 0.00 0.00 0.00 179.25 180.21 1jry h GLU 350 N 0.07 1.04 0.00 0.00 5.08 -0.53 -1.12 114.58 119.11 1jry h GLU 350 Ca 0.04 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1jry h GLU 350 Cb 0.03 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1jry h GLU 350 CO -0.05 0.74 -0.07 -0.91 -1.00 0.00 0.00 179.01 177.72 1jry h ASN 351 N 1.04 0.00 -0.08 1.42 2.35 -0.55 0.27 115.58 120.03 1jry h ASN 351 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1jry h ASN 351 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1jry h ASN 351 CO -0.05 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 1jry n ALA 352 N -2.26 2.57 0.00 -0.83 0.00 -0.81 -4.88 120.51 114.30 1jry n ALA 352 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1jry n ALA 352 Cb 0.19 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.05 0.38 3.75 0.00 0.00 0.08 -5.06 105.19 105.39 1jry n GLY 353 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.30 2.85 0.28 -0.02 0.00 -0.47 -4.15 107.32 104.50 1jry s GLY 354 Ca 0.00 0.94 -0.02 0.00 0.00 0.00 0.00 44.72 45.63 1jry s GLY 354 CO 0.00 1.72 0.50 0.00 0.00 0.00 0.00 173.10 175.31 1jry s ALA 355 N -0.52 3.71 0.19 3.20 0.00 0.27 -3.97 121.76 124.64 1jry s ALA 355 Ca 0.49 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.78 1jry s ALA 355 Cb -0.32 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 1jry s ALA 355 CO 0.39 0.24 0.10 -0.51 0.00 0.00 0.00 175.76 175.97 1jry s LEU 356 N -3.68 3.63 0.06 0.00 1.43 -1.26 -0.07 118.68 118.79 1jry s LEU 356 Ca 0.41 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.14 1jry s LEU 356 Cb -0.10 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.89 1jry s LEU 356 CO 0.31 0.05 0.25 -1.59 0.23 0.00 0.00 176.35 175.61 1jry s LYS 357 N -3.20 0.80 -1.23 1.70 -2.85 -0.00 -4.81 119.74 110.13 1jry s LYS 357 Ca 0.30 -0.65 0.00 0.00 -1.00 0.00 0.00 55.97 54.62 1jry s LYS 357 Cb -0.09 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 1jry s LYS 357 CO 0.22 -0.25 0.00 -0.25 0.10 0.00 0.00 175.35 175.17 1jry n ASP 358 N 0.43 -4.05 0.28 0.03 8.00 -1.26 -1.13 116.55 118.84 1jry n ASP 358 Ca -0.18 0.21 0.15 0.00 0.71 0.00 0.00 54.79 55.68 1jry n ASP 358 Cb 0.60 -3.51 0.85 0.00 -0.02 0.00 0.00 41.12 39.04 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 -2.38 114.93 112.27 1jry h MET 359 Ca -0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1jry h MET 359 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1jry h MET 359 CO 0.39 0.06 0.00 0.00 1.06 0.00 0.00 176.91 178.42 1jry n GLN 360 N -3.65 0.23 -3.00 1.72 0.00 -1.26 -4.56 117.38 106.85 1jry n GLN 360 Ca -0.02 0.02 -0.44 0.00 0.00 0.00 0.00 57.00 56.56 1jry n GLN 360 Cb 0.16 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 28.87 1jry n GLN 360 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1jry s TYR 361 N -2.76 3.00 -0.16 2.61 2.02 -0.91 -4.78 117.35 116.37 1jry s TYR 361 Ca 0.21 -1.05 -0.00 0.00 -0.37 0.00 0.00 57.07 55.85 1jry s TYR 361 Cb 0.19 -4.16 -0.00 0.00 -0.40 0.00 0.00 41.96 37.58 1jry s TYR 361 CO 0.47 -1.43 -0.13 0.42 -1.57 0.00 0.00 175.55 173.30 1jry s ILE 362 N 2.88 2.82 -0.13 2.71 1.01 -1.26 -1.99 121.20 127.24 1jry s ILE 362 Ca 0.21 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 59.93 1jry s ILE 362 Cb -0.15 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 1jry s ILE 362 CO 0.02 0.50 0.62 -1.58 0.00 0.00 0.00 174.94 174.50 1jry s GLN 363 N 0.84 4.33 -0.12 2.79 0.74 -0.27 -4.99 119.66 122.98 1jry s GLN 363 Ca -0.04 0.67 -0.09 0.00 0.05 0.00 0.00 55.36 55.95 1jry s GLN 363 Cb -0.15 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.42 1jry s GLN 363 CO -0.00 -0.02 0.17 0.00 -0.55 0.00 0.00 175.29 174.89 1jry s ALA 364 N 1.15 3.82 -0.01 1.58 0.00 -1.26 -0.58 121.76 126.46 1jry s ALA 364 Ca 0.31 -0.60 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 1jry s ALA 364 Cb -0.16 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 1jry s ALA 364 CO 0.13 0.50 0.85 -1.58 0.00 0.00 0.00 175.76 175.66 1jry s HIS 365 N -0.72 3.66 0.24 0.00 2.46 0.73 -4.59 115.29 117.06 1jry s HIS 365 Ca 0.15 1.51 0.14 0.00 0.47 0.00 0.00 55.06 57.33 1jry s HIS 365 Cb -0.12 -2.96 0.54 0.00 -0.13 0.00 0.00 32.58 29.91 1jry s HIS 365 CO 0.04 0.09 1.69 -1.00 -2.47 0.00 0.00 174.74 173.08 1jry h PRO 366 N 6.51 0.00 -2.82 2.88 0.13 -1.85 0.32 132.00 137.16 1jry h PRO 366 Ca -0.42 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.10 1jry h PRO 366 Cb 1.21 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.92 1jry h PRO 366 CO 0.74 0.49 -0.58 0.25 -0.23 0.00 0.00 178.00 178.67 1jry n THR 367 N -3.71 1.86 -3.18 1.56 -2.24 -1.26 -2.80 114.28 104.50 1jry n THR 367 Ca -0.01 -4.97 -0.39 0.00 -2.27 0.00 0.00 64.05 56.41 1jry n THR 367 Cb 0.55 -2.16 -0.06 0.00 -2.10 0.00 0.00 70.33 66.56 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 -1.77 4.54 0.12 3.22 2.96 -0.09 -1.34 118.68 126.32 1jry s LEU 368 Ca 0.29 1.38 -0.31 0.00 -0.22 0.00 0.00 54.13 55.27 1jry s LEU 368 Cb 0.01 -3.04 -0.09 0.00 0.50 0.00 0.00 46.19 43.57 1jry s LEU 368 CO -0.12 0.25 1.57 -0.55 -1.32 0.00 0.00 176.35 176.17 1jry s SER 369 N -1.15 6.63 0.05 3.68 0.15 0.39 -1.58 113.70 121.86 1jry s SER 369 Ca 0.32 2.52 -0.21 0.00 0.70 0.00 0.00 55.95 59.28 1jry s SER 369 Cb -0.20 -2.58 -0.14 0.00 -1.71 0.00 0.00 66.02 61.39 1jry s SER 369 CO 0.21 -0.82 1.43 0.58 1.20 0.00 0.00 173.24 175.84 1jry h VAL 370 N 4.34 1.29 0.23 4.45 2.07 -1.46 -0.31 116.25 126.85 1jry h VAL 370 Ca -0.42 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 1jry h VAL 370 Cb 1.20 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1jry h VAL 370 CO 0.91 0.28 -0.11 0.50 0.02 0.00 0.00 177.57 179.18 1jry h LYS 371 N -0.05 -0.29 0.00 1.57 3.64 -1.91 -3.33 116.57 116.19 1jry h LYS 371 Ca 0.03 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1jry h LYS 371 Cb 0.45 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1jry h LYS 371 CO 0.01 -0.03 -0.41 0.41 -2.27 0.00 0.00 179.45 177.16 1jry n GLY 372 N -0.60 -1.43 2.37 5.01 0.00 -1.24 -4.97 105.19 104.33 1jry n GLY 372 Ca -0.09 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 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 1.40 0.20 3.24 -0.02 0.00 -0.13 -4.82 105.19 105.06 1jry n GLY 373 Ca 0.05 -0.19 -0.18 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 -2.79 1.36 0.39 1.61 -7.23 -1.25 -4.88 120.40 107.62 1jry s VAL 374 Ca 0.00 -1.69 -0.26 0.00 -1.81 0.00 0.00 61.98 58.22 1jry s VAL 374 Cb 0.00 -1.52 -0.11 0.00 0.56 0.00 0.00 36.38 35.32 1jry s VAL 374 CO 0.00 -0.38 1.27 0.80 -0.31 0.00 0.00 175.10 176.48 1jry n MET 375 N 0.60 1.98 -4.04 4.82 0.00 -1.26 -0.46 117.12 118.76 1jry n MET 375 Ca -0.16 0.70 -0.34 0.00 -0.00 0.00 0.00 57.70 57.91 1jry n MET 375 Cb 0.57 -2.35 -0.15 0.00 0.00 0.00 0.00 33.22 31.28 1jry n MET 375 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1jry s VAL 376 N -1.16 2.49 0.44 1.12 1.01 -0.45 -4.77 120.40 119.07 1jry s VAL 376 Ca 0.59 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 1jry s VAL 376 Cb -0.53 -2.17 -0.08 0.00 0.00 0.00 0.00 36.38 33.59 1jry s VAL 376 CO 0.60 0.37 1.41 0.28 0.00 0.00 0.00 175.10 177.76 1jry s THR 377 N 1.31 2.14 0.58 3.92 -1.32 -1.26 -4.69 115.64 116.32 1jry s THR 377 Ca 0.02 0.13 0.37 0.00 -1.21 0.00 0.00 61.69 61.00 1jry s THR 377 Cb -0.15 -3.08 0.39 0.00 -1.51 0.00 0.00 72.50 68.16 1jry s THR 377 CO -0.08 0.02 2.28 -0.08 -2.21 0.00 0.00 174.62 174.55 1jry h GLU 378 N 2.42 0.00 -0.00 7.08 4.81 -1.98 -1.13 114.58 125.79 1jry h GLU 378 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1jry h GLU 378 Cb 1.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1jry h GLU 378 CO 0.61 0.01 0.00 0.00 -0.73 0.00 0.00 179.01 178.91 1jry h ALA 379 N 1.99 1.12 -0.56 2.92 0.00 -1.90 -0.12 119.26 122.71 1jry h ALA 379 Ca -0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1jry h ALA 379 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1jry h ALA 379 CO 0.00 -0.00 0.07 0.28 0.00 0.00 0.00 179.25 179.60 1jry h VAL 380 N 0.00 1.26 -0.09 0.00 2.07 -1.56 0.10 116.25 118.03 1jry h VAL 380 Ca 0.00 -1.00 -0.12 0.00 0.82 0.00 0.00 66.70 66.40 1jry h VAL 380 Cb 0.01 0.82 0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1jry h VAL 380 CO -0.00 0.36 -0.42 0.03 0.02 0.00 0.00 177.57 177.56 1jry h ARG 381 N 0.82 0.45 -0.60 1.57 3.08 -1.32 -1.54 114.38 116.84 1jry h ARG 381 Ca 0.17 -0.36 0.07 0.00 0.07 0.00 0.00 59.98 59.92 1jry h ARG 381 Cb 0.44 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 1jry h ARG 381 CO 0.01 0.99 0.40 0.78 -1.07 0.00 0.00 179.97 181.08 1jry h GLY 382 N 0.01 0.70 1.27 0.04 0.00 -0.96 0.31 103.07 104.44 1jry h GLY 382 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1jry h GLY 382 CO 0.09 0.16 -0.05 0.70 0.00 0.00 0.00 176.54 177.44 1jry n ASN 383 N -4.48 0.19 0.00 0.19 4.13 0.35 -4.59 115.26 111.05 1jry n ASN 383 Ca 0.09 -0.36 0.00 0.00 1.68 0.00 0.00 54.58 55.98 1jry n ASN 383 Cb 0.26 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.32 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 1.27 0.11 3.77 7.41 0.00 0.11 -4.65 105.19 113.20 1jry n GLY 384 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.89 2.63 0.38 4.61 0.00 -0.59 -4.86 121.76 123.03 1jry s ALA 385 Ca 0.00 0.81 0.08 0.00 0.00 0.00 0.00 51.96 52.84 1jry s ALA 385 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1jry s ALA 385 CO 0.00 -0.93 0.32 0.96 0.00 0.00 0.00 175.76 176.12 1jry s ILE 386 N -1.84 3.02 -0.11 0.00 -4.36 -0.59 -4.57 121.20 112.74 1jry s ILE 386 Ca 0.73 -1.38 -0.02 0.00 -0.26 0.00 0.00 60.65 59.71 1jry s ILE 386 Cb -0.24 -3.07 -0.03 0.00 1.25 0.00 0.00 42.46 40.37 1jry s ILE 386 CO 0.30 -0.08 -0.04 -0.76 0.24 0.00 0.00 174.94 174.60 1jry s LEU 387 N -4.05 3.29 0.13 0.37 1.43 -1.26 -0.55 118.68 118.03 1jry s LEU 387 Ca 0.44 -0.04 0.05 0.00 -1.03 0.00 0.00 54.13 53.56 1jry s LEU 387 Cb -0.04 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1jry s LEU 387 CO 0.27 0.27 -0.13 0.68 0.23 0.00 0.00 176.35 177.68 1jry s VAL 388 N -0.27 1.28 0.24 -1.59 -7.23 -0.11 -4.14 120.40 108.58 1jry s VAL 388 Ca 0.05 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.40 1jry s VAL 388 Cb -0.13 -1.63 0.04 0.00 0.56 0.00 0.00 36.38 35.22 1jry s VAL 388 CO 0.02 -0.53 0.33 -0.46 -0.31 0.00 0.00 175.10 174.15 1jry n ASN 389 N 0.27 0.73 0.30 4.85 0.23 -0.46 -0.80 115.26 120.38 1jry n ASN 389 Ca -0.14 -1.55 0.18 0.00 -0.53 0.00 0.00 54.58 52.55 1jry n ASN 389 Cb 0.58 -0.18 0.94 0.00 -2.08 0.00 0.00 39.78 39.04 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 -0.01 -3.83 3.08 -1.83 0.54 114.38 112.33 1jry h ARG 390 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1jry h ARG 390 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1jry h ARG 390 CO 0.14 0.03 -0.03 0.39 -1.07 0.00 0.00 179.97 179.44 1jry n GLU 391 N -3.29 1.16 -1.24 0.04 4.71 -1.26 -2.47 120.64 118.29 1jry n GLU 391 Ca -0.02 -0.41 -0.03 0.00 -0.01 0.00 0.00 57.16 56.69 1jry n GLU 391 Cb 0.17 -1.49 -0.01 0.00 -1.01 0.00 0.00 31.44 29.10 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 1.13 0.53 3.42 0.62 0.00 0.18 -4.57 105.19 106.50 1jry n GLY 392 Ca 0.20 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.55 1.51 0.64 1.61 1.02 -1.26 -3.29 119.74 117.42 1jry s LYS 393 Ca 0.00 -1.52 -0.14 0.00 0.02 0.00 0.00 55.97 54.33 1jry s LYS 393 Cb 0.00 -1.83 -0.01 0.00 -0.52 0.00 0.00 37.83 35.47 1jry s LYS 393 CO 0.00 0.40 1.07 1.03 -0.92 0.00 0.00 175.35 176.93 1jry s ARG 394 N -2.67 3.02 0.00 1.68 0.52 -1.26 -1.35 118.95 118.90 1jry s ARG 394 Ca 0.21 1.20 0.00 0.00 -0.52 0.00 0.00 55.73 56.62 1jry s ARG 394 Cb -0.08 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.40 1jry s ARG 394 CO 0.10 -1.05 0.00 1.97 0.02 0.00 0.00 175.30 176.34 1jry n PHE 395 N -2.46 0.00 -3.48 -0.53 1.16 -1.26 -4.89 117.46 106.00 1jry n PHE 395 Ca 0.09 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.54 1jry n PHE 395 Cb 0.53 0.02 -0.03 0.00 -1.61 0.00 0.00 39.48 38.38 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 -0.40 1.97 0.11 -1.26 -5.03 120.40 115.80 1jry s VAL 396 Ca 0.00 -0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 58.66 1jry s VAL 396 Cb 0.00 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1jry s VAL 396 CO 0.00 -0.06 1.52 0.21 -3.33 0.00 0.00 175.10 173.44 1jry s ASN 397 N -2.45 6.20 0.49 3.54 2.47 -1.26 -4.86 114.94 119.08 1jry s ASN 397 Ca -0.01 0.92 0.33 0.00 0.42 0.00 0.00 52.86 54.53 1jry s ASN 397 Cb -0.00 -2.54 1.64 0.00 -1.45 0.00 0.00 41.25 38.89 1jry s ASN 397 CO -0.08 -1.52 2.01 -0.33 -3.72 0.00 0.00 177.10 173.45 1jry h GLU 398 N 11.32 0.00 -0.57 0.43 3.07 -1.92 -1.71 114.58 125.20 1jry h GLU 398 Ca -0.29 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.27 1jry h GLU 398 Cb 1.12 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.85 1jry h GLU 398 CO 1.08 0.00 0.16 0.44 -1.40 0.00 0.00 179.01 179.29 1jry n ILE 399 N -2.76 2.78 -1.73 3.13 -5.35 -1.26 -4.83 119.36 109.33 1jry n ILE 399 Ca -0.01 -2.49 -0.20 0.00 -0.27 0.00 0.00 62.75 59.77 1jry n ILE 399 Cb 0.15 -0.37 0.14 0.00 -1.74 0.00 0.00 39.64 37.82 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 -1.14 0.00 -1.54 7.28 5.66 -0.65 -0.84 114.28 123.06 1jry n THR 400 Ca 0.42 -0.74 -0.30 0.00 -3.05 0.00 0.00 64.05 60.39 1jry n THR 400 Cb 1.25 -1.59 0.09 0.00 -1.55 0.00 0.00 70.33 68.53 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 -2.97 3.10 0.23 1.09 -4.23 -1.26 -3.92 115.64 107.67 1jry s THR 401 Ca 0.53 0.36 -0.07 0.00 -1.18 0.00 0.00 61.69 61.32 1jry s THR 401 Cb -0.02 -3.09 0.20 0.00 1.34 0.00 0.00 72.50 70.94 1jry s THR 401 CO 0.37 -0.47 1.85 0.11 -0.54 0.00 0.00 174.62 175.94 1jry h LYS 402 N -1.09 1.23 -0.64 3.99 1.57 -1.90 -0.73 116.57 119.00 1jry h LYS 402 Ca -0.47 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.16 1jry h LYS 402 Cb 1.27 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 1jry h LYS 402 CO 0.59 0.90 0.35 0.38 -0.57 0.00 0.00 179.45 181.10 1jry h ASP 403 N 1.23 0.79 0.45 0.86 -0.00 -1.94 -1.26 116.42 116.55 1jry h ASP 403 Ca 0.31 -0.09 -0.15 0.00 -0.00 0.00 0.00 57.03 57.10 1jry h ASP 403 Cb 0.03 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 39.14 1jry h ASP 403 CO -0.05 0.65 -0.65 0.11 -0.00 0.00 0.00 179.24 179.30 1jry h LYS 404 N 0.86 0.19 -0.46 4.15 1.57 -1.81 -2.33 116.57 118.74 1jry h LYS 404 Ca 0.22 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 1jry h LYS 404 Cb 0.03 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1jry h LYS 404 CO -0.04 0.78 -0.24 0.00 -0.57 0.00 0.00 179.45 179.38 1jry h ALA 405 N 1.19 0.65 -0.09 3.86 0.00 -1.09 -1.62 119.26 122.16 1jry h ALA 405 Ca -0.01 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1jry h ALA 405 Cb 1.18 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1jry h ALA 405 CO 0.10 0.66 0.04 0.77 0.00 0.00 0.00 179.25 180.81 1jry h SER 406 N 0.83 0.13 -0.79 0.00 0.02 -1.11 -1.09 113.55 111.52 1jry h SER 406 Ca 0.10 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1jry h SER 406 Cb 0.82 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 1jry h SER 406 CO 0.07 0.24 0.33 0.00 -1.14 0.00 0.00 176.83 176.33 1jry h ALA 407 N 0.89 1.03 -0.52 3.77 0.00 -1.34 -0.31 119.26 122.78 1jry h ALA 407 Ca 0.03 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1jry h ALA 407 Cb 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1jry h ALA 407 CO -0.00 0.65 -0.14 0.00 0.00 0.00 0.00 179.25 179.76 1jry h ALA 408 N 1.17 0.72 -0.42 0.00 0.00 -1.05 -1.99 119.26 117.69 1jry h ALA 408 Ca 0.27 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1jry h ALA 408 Cb 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1jry h ALA 408 CO -0.02 0.66 0.06 0.82 0.00 0.00 0.00 179.25 180.76 1jry h ILE 409 N 0.89 1.25 0.00 0.00 2.04 -0.94 -2.49 117.51 118.25 1jry h ILE 409 Ca 0.13 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1jry h ILE 409 Cb 0.71 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1jry h ILE 409 CO 0.05 0.31 -0.02 -0.07 0.00 0.00 0.00 178.15 178.43 1jry h LEU 410 N 0.56 0.00 -0.30 1.44 3.38 -0.68 -1.88 115.31 117.84 1jry h LEU 410 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1jry h LEU 410 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1jry h LEU 410 CO 0.01 0.02 -0.15 0.00 0.09 0.00 0.00 178.44 178.41 1jry n ALA 411 N -2.14 2.85 -2.07 1.53 0.00 -0.78 -4.40 120.51 115.49 1jry n ALA 411 Ca -0.02 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 1jry n ALA 411 Cb 0.15 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.50 3.35 0.06 0.00 -1.52 -0.70 -4.94 119.66 113.41 1jry s GLN 412 Ca 0.27 0.34 -0.33 0.00 -1.95 0.00 0.00 55.36 53.70 1jry s GLN 412 Cb 0.20 -2.23 -0.12 0.00 -0.22 0.00 0.00 33.01 30.64 1jry s GLN 412 CO 0.49 -0.51 1.79 2.41 -0.25 0.00 0.00 175.29 179.22 1jry n THR 413 N -2.56 0.36 -0.60 -0.19 -1.04 -1.26 -0.51 114.28 108.48 1jry n THR 413 Ca 0.04 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1jry n THR 413 Cb 0.56 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.16 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 4.08 1.30 2.72 3.41 0.00 -1.26 -4.04 105.19 111.40 1jry n GLY 414 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.39 -3.92 1.61 5.02 0.33 -4.96 118.16 110.85 1jry n LYS 415 Ca 0.00 0.93 -0.09 0.00 -2.02 0.00 0.00 58.31 57.13 1jry n LYS 415 Cb 0.00 -5.65 -0.05 0.00 -0.02 0.00 0.00 35.03 29.30 1jry n LYS 415 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1jry s SER 416 N -2.44 -0.11 0.36 4.39 1.04 -1.24 -4.63 113.70 111.07 1jry s SER 416 Ca 0.16 -0.80 -0.04 0.00 0.48 0.00 0.00 55.95 55.76 1jry s SER 416 Cb -0.07 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.61 1jry s SER 416 CO 0.20 -1.07 0.53 0.00 0.98 0.00 0.00 173.24 173.89 1jry s ALA 417 N -3.97 0.59 -0.06 5.32 0.00 0.53 -4.65 121.76 119.51 1jry s ALA 417 Ca 0.18 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 50.72 1jry s ALA 417 Cb 0.00 1.08 0.02 0.00 0.00 0.00 0.00 23.12 24.22 1jry s ALA 417 CO 0.04 -0.82 -0.09 0.71 0.00 0.00 0.00 175.76 175.59 1jry s TYR 418 N -2.86 1.22 0.17 0.00 2.02 0.02 0.28 117.35 118.20 1jry s TYR 418 Ca 0.28 -0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 56.25 1jry s TYR 418 Cb -0.01 -0.94 -0.08 0.00 -0.40 0.00 0.00 41.96 40.53 1jry s TYR 418 CO 0.20 -0.26 1.15 -0.51 -1.57 0.00 0.00 175.55 174.56 1jry s LEU 419 N 0.79 4.46 -0.06 -1.29 1.43 0.16 -0.93 118.68 123.24 1jry s LEU 419 Ca -0.13 2.15 0.05 0.00 -1.03 0.00 0.00 54.13 55.17 1jry s LEU 419 Cb -0.15 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 1jry s LEU 419 CO 0.02 -0.30 -0.21 -0.63 0.23 0.00 0.00 176.35 175.46 1jry s ILE 420 N -0.08 1.72 0.34 -0.59 -1.09 0.28 -1.02 121.20 120.77 1jry s ILE 420 Ca 0.51 -0.87 -0.15 0.00 -2.23 0.00 0.00 60.65 57.91 1jry s ILE 420 Cb -0.31 -1.47 0.04 0.00 -1.58 0.00 0.00 42.46 39.13 1jry s ILE 420 CO 0.35 0.49 0.71 0.72 -1.23 0.00 0.00 174.94 175.98 1jry s PHE 421 N 0.02 0.20 0.00 3.97 -0.71 -1.06 -1.55 117.98 118.85 1jry s PHE 421 Ca -0.06 -0.74 0.00 0.00 -1.04 0.00 0.00 56.93 55.09 1jry s PHE 421 Cb -0.13 0.63 0.00 0.00 -1.21 0.00 0.00 43.02 42.31 1jry s PHE 421 CO 0.03 -1.39 0.00 -0.40 -1.34 0.00 0.00 175.22 172.12 1jry n ASP 422 N -1.11 1.56 0.18 1.98 3.85 -1.26 -0.92 116.55 120.82 1jry n ASP 422 Ca -0.06 -0.15 0.07 0.00 -0.71 0.00 0.00 54.79 53.95 1jry n ASP 422 Cb 0.60 0.00 0.10 0.00 -1.35 0.00 0.00 41.12 40.47 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 -0.23 -1.12 3.45 -0.45 -1.96 116.42 116.11 1jry h ASP 423 Ca 0.00 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.39 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 0.25 -0.12 0.77 -1.57 0.00 0.00 179.24 178.57 1jry h SER 424 N 0.00 0.51 -0.21 6.45 4.64 -1.90 0.15 113.55 123.18 1jry h SER 424 Ca -0.00 -0.41 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 1jry h SER 424 Cb 1.19 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1jry h SER 424 CO 0.03 0.81 0.11 0.58 -0.87 0.00 0.00 176.83 177.49 1jry h VAL 425 N 0.21 1.13 -0.70 0.95 2.07 -1.87 -2.15 116.25 115.89 1jry h VAL 425 Ca 0.05 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 67.29 1jry h VAL 425 Cb 0.62 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 1jry h VAL 425 CO 0.04 0.13 0.35 -0.09 0.02 0.00 0.00 177.57 178.02 1jry h ARG 426 N 0.22 0.60 0.00 1.57 2.43 -1.15 -1.90 114.38 116.15 1jry h ARG 426 Ca 0.07 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 1jry h ARG 426 Cb 0.11 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1jry h ARG 426 CO -0.01 0.39 -0.46 0.87 -1.51 0.00 0.00 179.97 179.26 1jry h LYS 427 N 0.61 0.00 0.00 0.20 1.79 -0.53 -2.41 116.57 116.23 1jry h LYS 427 Ca 0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1jry h LYS 427 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1jry h LYS 427 CO -0.25 0.46 0.00 -1.13 -1.08 0.00 0.00 179.45 177.45 1jry n SER 428 N -3.99 0.53 -3.50 0.86 3.41 -0.73 -4.48 113.62 105.72 1jry n SER 428 Ca -0.02 0.61 -0.27 0.00 -0.26 0.00 0.00 58.87 58.93 1jry n SER 428 Cb 0.48 -0.73 -0.13 0.00 -0.26 0.00 0.00 64.21 63.57 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 -4.11 0.45 0.60 1.04 2.96 -0.91 -4.52 118.68 114.19 1jry s LEU 429 Ca 0.07 -1.34 0.30 0.00 -0.22 0.00 0.00 54.13 52.93 1jry s LEU 429 Cb 0.11 -0.18 1.70 0.00 0.50 0.00 0.00 46.19 48.32 1jry s LEU 429 CO 0.42 -0.41 2.08 0.77 -1.32 0.00 0.00 176.35 177.90 1jry h SER 430 N 8.13 0.00 -0.53 3.68 4.64 -1.19 0.12 113.55 128.39 1jry h SER 430 Ca -0.14 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.23 1jry h SER 430 Cb 1.02 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 1jry h SER 430 CO 0.39 0.00 0.35 0.50 -0.87 0.00 0.00 176.83 177.20 1jry h LYS 431 N 0.00 0.52 -0.66 4.77 1.63 -1.74 -1.37 116.57 119.72 1jry h LYS 431 Ca 0.08 -0.03 0.14 0.00 -0.85 0.00 0.00 60.65 60.00 1jry h LYS 431 Cb 0.54 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.01 1jry h LYS 431 CO -0.00 0.35 0.45 0.82 -3.45 0.00 0.00 179.45 177.62 1jry h ILE 432 N 0.54 0.78 0.00 2.00 2.04 -1.06 0.19 117.51 122.00 1jry h ILE 432 Ca 0.22 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 1jry h ILE 432 Cb 0.20 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1jry h ILE 432 CO -0.06 0.05 -0.01 0.44 0.00 0.00 0.00 178.15 178.57 1jry h ASP 433 N 0.27 0.00 -0.20 1.72 3.32 -1.41 -1.15 116.42 118.98 1jry h ASP 433 Ca 0.32 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.25 1jry h ASP 433 Cb 0.87 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1jry h ASP 433 CO -0.07 0.01 -0.29 0.11 -1.72 0.00 0.00 179.24 177.27 1jry h LYS 434 N 0.00 0.69 -0.15 3.56 1.79 -0.75 -0.35 116.57 121.36 1jry h LYS 434 Ca -0.00 -0.30 -0.14 0.00 -2.18 0.00 0.00 60.65 58.03 1jry h LYS 434 Cb 0.03 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1jry h LYS 434 CO 0.00 0.90 -0.51 1.88 -1.08 0.00 0.00 179.45 180.64 1jry h TYR 435 N 0.59 0.51 -0.22 -1.35 -1.99 -1.20 -1.40 116.97 111.90 1jry h TYR 435 Ca 0.07 -0.17 -0.04 0.00 2.00 0.00 0.00 58.73 60.59 1jry h TYR 435 Cb 0.80 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.42 1jry h TYR 435 CO 0.04 0.84 -0.02 0.82 -0.00 0.00 0.00 178.16 179.83 1jry h ILE 436 N 0.32 1.27 -0.94 -2.88 2.04 -1.22 -2.27 117.51 113.82 1jry h ILE 436 Ca 0.01 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 64.92 1jry h ILE 436 Cb 1.01 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 1jry h ILE 436 CO 0.09 0.30 0.62 1.23 0.00 0.00 0.00 178.15 180.38 1jry h GLY 437 N 0.16 1.34 2.00 5.37 0.00 -1.03 -0.23 103.07 110.68 1jry h GLY 437 Ca 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1jry h GLY 437 CO 0.02 0.50 0.00 -0.10 0.00 0.00 0.00 176.54 176.95 1jry n LEU 438 N -4.41 0.57 0.00 3.11 7.94 -0.53 -4.86 117.00 118.82 1jry n LEU 438 Ca 0.11 0.68 0.00 0.00 -1.11 0.00 0.00 56.01 55.69 1jry n LEU 438 Cb 0.02 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 43.32 1jry n LEU 438 CO 0.37 -0.66 0.00 0.61 -1.11 0.00 0.00 177.39 176.60 1jry n GLY 439 N -0.46 0.63 0.48 -3.96 0.00 -0.10 -4.96 105.19 96.82 1jry n GLY 439 Ca 0.01 -0.58 0.04 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.62 0.94 -3.43 1.61 0.24 -0.89 -4.73 118.33 109.44 1jry n VAL 440 Ca 0.00 -0.97 -0.26 0.00 -2.04 0.00 0.00 64.34 61.07 1jry n VAL 440 Cb 0.00 0.54 -0.08 0.00 -1.47 0.00 0.00 33.84 32.83 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 0.29 3.61 -1.59 2.33 0.00 -1.24 -4.45 120.51 119.45 1jry n ALA 441 Ca 0.09 -4.40 -0.38 0.00 0.00 0.00 0.00 53.44 48.75 1jry n ALA 441 Cb 0.37 -0.89 0.05 0.00 0.00 0.00 0.00 19.45 18.98 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 1.17 0.83 -3.98 0.00 -0.04 -1.16 -4.64 135.00 127.17 1jry n PRO 442 Ca 0.27 0.32 -0.08 0.00 -0.04 0.00 0.00 63.50 63.97 1jry n PRO 442 Cb 0.43 -2.09 -0.09 0.00 -0.04 0.00 0.00 33.50 31.71 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 -1.55 0.18 0.02 0.52 -1.32 -1.26 -1.69 115.64 110.55 1jry s THR 443 Ca 0.75 -1.48 -0.27 0.00 -1.21 0.00 0.00 61.69 59.47 1jry s THR 443 Cb -0.42 -1.36 0.09 0.00 -1.51 0.00 0.00 72.50 69.30 1jry s THR 443 CO 0.48 -0.82 0.80 0.00 -2.21 0.00 0.00 174.62 172.88 1jry s ALA 444 N -3.70 -1.77 -2.07 11.08 0.00 -0.82 -4.93 121.76 119.55 1jry s ALA 444 Ca 0.04 0.94 0.28 0.00 0.00 0.00 0.00 51.96 53.22 1jry s ALA 444 Cb 0.05 0.42 1.56 0.00 0.00 0.00 0.00 23.12 25.16 1jry s ALA 444 CO -0.10 -0.66 2.02 -0.40 0.00 0.00 0.00 175.76 176.62 1jry n ASP 445 N -0.12 0.26 -3.92 0.00 5.68 -1.26 -1.54 116.55 115.65 1jry n ASP 445 Ca -0.12 -1.19 -0.09 0.00 -0.50 0.00 0.00 54.79 52.89 1jry n ASP 445 Cb 0.62 -0.01 -0.09 0.00 -1.14 0.00 0.00 41.12 40.51 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 -1.88 0.18 0.28 -1.12 1.04 -1.26 -4.82 113.70 106.12 1jry s SER 446 Ca 0.41 -0.60 0.14 0.00 0.48 0.00 0.00 55.95 56.39 1jry s SER 446 Cb 0.19 0.26 0.26 0.00 0.10 0.00 0.00 66.02 66.83 1jry s SER 446 CO 0.32 -0.58 1.53 -0.07 0.98 0.00 0.00 173.24 175.42 1jry h LEU 447 N 3.33 0.00 -0.59 2.42 3.38 -1.90 -0.50 115.31 121.45 1jry h LEU 447 Ca -0.33 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1jry h LEU 447 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1jry h LEU 447 CO 0.54 0.58 0.15 0.58 0.09 0.00 0.00 178.44 180.38 1jry h VAL 448 N 0.00 1.25 -0.38 1.22 2.07 -1.97 -0.19 116.25 118.25 1jry h VAL 448 Ca -0.01 -0.88 -0.15 0.00 0.82 0.00 0.00 66.70 66.48 1jry h VAL 448 Cb 1.26 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1jry h VAL 448 CO 0.08 0.33 -0.35 0.11 0.02 0.00 0.00 177.57 177.75 1jry h LYS 449 N 0.84 0.89 -0.33 1.57 1.57 -1.88 -1.70 116.57 117.55 1jry h LYS 449 Ca 0.19 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1jry h LYS 449 Cb 0.33 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1jry h LYS 449 CO -0.00 1.10 0.21 1.25 -0.57 0.00 0.00 179.45 181.44 1jry h LEU 450 N 0.74 0.39 -0.97 2.94 6.46 -0.80 -1.79 115.31 122.28 1jry h LEU 450 Ca 0.07 -0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.73 1jry h LEU 450 Cb 0.93 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.74 1jry h LEU 450 CO 0.09 0.30 0.06 1.23 -0.62 0.00 0.00 178.44 179.51 1jry h GLY 451 N 0.43 0.88 1.03 3.75 0.00 -1.04 -1.79 103.07 106.33 1jry h GLY 451 Ca 0.12 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 1jry h GLY 451 CO -0.02 0.51 0.01 1.70 0.00 0.00 0.00 176.54 178.73 1jry h LYS 452 N 0.77 0.93 -0.59 4.80 1.63 -0.99 0.32 116.57 123.44 1jry h LYS 452 Ca 0.16 -0.29 0.08 0.00 -0.85 0.00 0.00 60.65 59.75 1jry h LYS 452 Cb 0.37 -0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 31.86 1jry h LYS 452 CO 0.01 0.94 0.26 0.52 -3.45 0.00 0.00 179.45 177.73 1jry h MET 453 N 0.80 0.46 -0.34 1.90 2.86 -0.81 -3.15 114.93 116.66 1jry h MET 453 Ca 0.15 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1jry h MET 453 Cb 0.52 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1jry h MET 453 CO 0.03 0.31 0.00 0.39 1.06 0.00 0.00 176.91 178.69 1jry n GLU 454 N -4.93 2.39 -2.15 1.72 -0.58 -0.72 -4.99 120.64 111.38 1jry n GLU 454 Ca 0.08 -2.18 -0.04 0.00 -0.42 0.00 0.00 57.16 54.59 1jry n GLU 454 Cb 0.22 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 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 1.38 0.26 3.61 0.62 0.00 0.90 -5.03 105.19 106.94 1jry n GLY 455 Ca 0.18 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.30 4.12 -0.49 -0.61 1.01 0.03 -4.88 121.20 118.07 1jry s ILE 456 Ca 0.01 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.05 1jry s ILE 456 Cb -0.01 -2.75 -0.11 0.00 0.01 0.00 0.00 42.46 39.61 1jry s ILE 456 CO 0.02 0.57 2.36 -0.67 0.00 0.00 0.00 174.94 177.22 1jry n ASP 457 N 2.59 2.04 -0.23 3.58 -0.08 -1.03 -4.05 116.55 119.37 1jry n ASP 457 Ca -0.18 0.01 -0.04 0.00 -1.51 0.00 0.00 54.79 53.06 1jry n ASP 457 Cb 0.53 -1.36 0.06 0.00 2.34 0.00 0.00 41.12 42.69 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 15.32 0.93 1.81 0.27 0.00 -1.84 -0.38 103.07 119.19 1jry h GLY 458 Ca -0.24 -0.32 -0.17 0.00 0.00 0.00 0.00 47.33 46.60 1jry h GLY 458 CO 1.12 0.28 -0.90 0.07 0.00 0.00 0.00 176.54 177.11 1jry h LYS 459 N 0.82 0.00 -0.51 4.80 5.09 -1.89 -2.04 116.57 122.84 1jry h LYS 459 Ca 0.26 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.87 1jry h LYS 459 Cb -0.02 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.30 1jry h LYS 459 CO -0.09 0.69 -0.17 0.00 -2.09 0.00 0.00 179.45 177.79 1jry h ALA 460 N 1.24 0.74 -0.95 0.07 0.00 -1.85 -0.57 119.26 117.94 1jry h ALA 460 Ca -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1jry h ALA 460 Cb 1.62 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 1jry h ALA 460 CO 0.09 0.67 0.61 1.25 0.00 0.00 0.00 179.25 181.87 1jry h LEU 461 N 0.88 1.12 -0.13 0.00 5.85 -0.98 0.78 115.31 122.81 1jry h LEU 461 Ca 0.12 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1jry h LEU 461 Cb 0.74 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1jry h LEU 461 CO 0.06 0.83 0.04 0.74 -0.34 0.00 0.00 178.44 179.76 1jry h THR 462 N 1.30 1.19 -0.73 1.05 2.02 -1.03 -0.06 112.91 116.65 1jry h THR 462 Ca 0.35 -0.58 0.01 0.00 0.77 0.00 0.00 66.41 66.95 1jry h THR 462 Cb -0.11 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 1jry h THR 462 CO -0.07 0.17 0.48 -0.33 0.37 0.00 0.00 175.52 176.15 1jry h GLU 463 N 0.02 0.95 -0.71 6.66 4.39 -0.28 -1.60 114.58 124.03 1jry h GLU 463 Ca 0.04 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.76 1jry h GLU 463 Cb 0.24 -0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 28.61 1jry h GLU 463 CO -0.00 0.63 0.39 1.15 -1.16 0.00 0.00 179.01 180.02 1jry h THR 464 N 0.98 0.94 -0.19 1.13 2.02 0.97 -0.20 112.91 118.56 1jry h THR 464 Ca 0.27 -0.24 -0.15 0.00 0.77 0.00 0.00 66.41 67.06 1jry h THR 464 Cb -0.10 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1jry h THR 464 CO -0.06 0.13 -0.49 0.58 0.37 0.00 0.00 175.52 176.05 1jry h VAL 465 N 0.69 1.32 -0.68 3.16 2.07 -0.65 -0.24 116.25 121.93 1jry h VAL 465 Ca 0.33 -1.72 0.06 0.00 0.82 0.00 0.00 66.70 66.18 1jry h VAL 465 Cb 0.25 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 1jry h VAL 465 CO -0.21 0.54 0.39 0.00 0.02 0.00 0.00 177.57 178.30 1jry h ALA 466 N 0.58 0.91 -0.46 1.67 0.00 -1.05 0.11 119.26 121.03 1jry h ALA 466 Ca -0.01 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1jry h ALA 466 Cb 1.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1jry h ALA 466 CO 0.11 0.08 0.01 -0.09 0.00 0.00 0.00 179.25 179.35 1jry h ARG 467 N 0.72 0.81 -0.58 0.00 2.43 -0.82 -2.03 114.38 114.92 1jry h ARG 467 Ca 0.30 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1jry h ARG 467 Cb 0.17 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1jry h ARG 467 CO -0.17 0.86 0.38 -0.92 -1.51 0.00 0.00 179.97 178.61 1jry h TYR 468 N 0.66 0.74 -0.26 2.20 3.20 -0.15 -1.20 116.97 122.16 1jry h TYR 468 Ca 0.13 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1jry h TYR 468 Cb 0.49 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1jry h TYR 468 CO 0.04 0.48 0.11 -0.91 -1.64 0.00 0.00 178.16 176.23 1jry h ASN 469 N 0.79 0.31 0.74 -2.11 2.35 -0.91 0.11 115.58 116.86 1jry h ASN 469 Ca 0.21 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.77 1jry h ASN 469 Cb -0.07 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1jry h ASN 469 CO -0.04 0.28 -0.79 0.77 -1.65 0.00 0.00 177.43 176.00 1jry h SER 470 N 0.36 0.05 -0.51 5.81 4.64 -0.56 0.62 113.55 123.95 1jry h SER 470 Ca 0.09 -0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.27 1jry h SER 470 Cb 0.06 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1jry h SER 470 CO -0.01 0.82 -0.09 -0.07 -0.87 0.00 0.00 176.83 176.61 1jry h LEU 471 N 0.02 0.96 -0.23 5.97 3.38 -0.04 0.47 115.31 125.85 1jry h LEU 471 Ca -0.01 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1jry h LEU 471 Cb 1.40 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1jry h LEU 471 CO 0.11 1.08 0.14 0.58 0.09 0.00 0.00 178.44 180.44 1jry h VAL 472 N 0.83 1.05 -0.51 1.22 2.07 -0.61 0.24 116.25 120.52 1jry h VAL 472 Ca 0.13 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 1jry h VAL 472 Cb 0.64 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1jry h VAL 472 CO 0.04 0.05 -0.02 0.77 0.02 0.00 0.00 177.57 178.44 1jry h SER 473 N 0.30 0.86 -0.15 0.57 4.64 -0.29 -2.39 113.55 117.08 1jry h SER 473 Ca 0.09 -0.23 -0.07 0.00 -0.47 0.00 0.00 61.79 61.10 1jry h SER 473 Cb -0.02 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 1jry h SER 473 CO -0.03 0.93 -0.13 0.28 -0.87 0.00 0.00 176.83 177.02 1jry h SER 474 N 0.81 0.50 0.00 4.97 0.02 0.30 -3.47 113.55 116.69 1jry h SER 474 Ca 0.15 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1jry h SER 474 Cb 0.51 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1jry h SER 474 CO 0.03 0.66 0.00 0.61 -1.14 0.00 0.00 176.83 176.99 1jry n GLY 475 N -0.62 0.53 2.95 -3.77 0.00 0.79 -5.07 105.19 100.01 1jry n GLY 475 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.81 0.11 -0.59 1.61 0.00 -1.07 -4.98 119.74 114.02 1jry s LYS 476 Ca 0.00 0.32 -0.20 0.00 0.00 0.00 0.00 55.97 56.10 1jry s LYS 476 Cb 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 37.83 37.81 1jry s LYS 476 CO 0.00 -0.12 0.75 0.34 0.00 0.00 0.00 175.35 176.31 1jry s ASP 477 N 0.87 6.19 0.00 0.03 2.15 -1.26 -4.71 116.67 119.94 1jry s ASP 477 Ca -0.07 -1.22 0.27 0.00 0.43 0.00 0.00 52.55 51.96 1jry s ASP 477 Cb -0.09 -2.33 0.85 0.00 -0.30 0.00 0.00 42.92 41.06 1jry s ASP 477 CO -0.04 -1.14 1.65 0.35 -0.17 0.00 0.00 175.17 175.81 1jry n THR 478 N 5.65 0.00 -0.07 1.71 -2.24 -1.26 -1.41 114.28 116.66 1jry n THR 478 Ca -0.08 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 1jry n THR 478 Cb 0.44 -0.02 -0.11 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.15 0.00 0.00 3.42 3.32 -2.01 -3.42 116.42 117.88 1jry h ASP 479 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 56.22 1jry h ASP 479 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1jry h ASP 479 CO 0.00 1.00 0.00 0.49 -1.72 0.00 0.00 179.24 179.01 1jry n PHE 480 N -4.61 0.00 -3.34 4.55 3.01 -1.26 -5.03 117.46 110.78 1jry n PHE 480 Ca -0.11 -0.10 -0.24 0.00 1.01 0.00 0.00 57.45 58.01 1jry n PHE 480 Cb 0.45 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 39.94 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 -0.10 -4.78 -1.81 -1.08 1.02 -0.50 -4.24 120.64 109.15 1jry n GLU 481 Ca 0.00 0.70 -0.42 0.00 -0.02 0.00 0.00 57.16 57.42 1jry n GLU 481 Cb 0.15 -5.54 -0.03 0.00 -0.02 0.00 0.00 31.44 26.00 1jry n GLU 481 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1jry s ARG 482 N -6.02 4.16 0.02 3.49 3.52 -1.26 -4.86 118.95 118.00 1jry s ARG 482 Ca 0.42 2.45 0.24 0.00 -0.13 0.00 0.00 55.73 58.71 1jry s ARG 482 Cb -0.21 -3.99 1.01 0.00 -1.56 0.00 0.00 34.95 30.20 1jry s ARG 482 CO 0.52 -0.88 1.77 -0.35 -0.81 0.00 0.00 175.30 175.55 1jry n PRO 483 N 7.01 0.03 -3.80 5.12 -0.04 -1.26 -4.32 135.00 137.73 1jry n PRO 483 Ca 0.18 0.11 -0.24 0.00 -0.04 0.00 0.00 63.50 63.51 1jry n PRO 483 Cb 0.41 -1.54 -0.17 0.00 -0.04 0.00 0.00 33.50 32.16 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 -3.15 1.82 -0.53 3.54 3.84 -1.26 -5.05 114.94 114.15 1jry s ASN 484 Ca 0.11 -0.18 0.04 0.00 0.21 0.00 0.00 52.86 53.03 1jry s ASN 484 Cb 0.15 -0.56 0.15 0.00 -0.55 0.00 0.00 41.25 40.45 1jry s ASN 484 CO 0.45 -0.18 0.33 -0.76 -2.79 0.00 0.00 177.10 174.15 1jry s LEU 485 N 1.90 3.41 0.31 3.21 1.43 -1.26 -5.00 118.68 122.67 1jry s LEU 485 Ca 0.05 -3.12 0.20 0.00 -1.03 0.00 0.00 54.13 50.22 1jry s LEU 485 Cb -0.13 -1.23 0.14 0.00 0.03 0.00 0.00 46.19 45.01 1jry s LEU 485 CO -0.06 -0.19 1.37 1.55 0.23 0.00 0.00 176.35 179.25 1jry h PRO 486 N 6.13 0.00 -3.32 1.29 0.13 -1.89 -3.47 132.00 130.87 1jry h PRO 486 Ca 0.07 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.12 1jry h PRO 486 Cb 0.87 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.84 1jry h PRO 486 CO 0.57 0.19 -0.18 1.03 -0.23 0.00 0.00 178.00 179.37 1jry s ARG 487 N -3.13 0.91 0.07 0.86 0.52 -1.26 -5.05 118.95 111.87 1jry s ARG 487 Ca 0.04 -0.58 -0.13 0.00 -0.52 0.00 0.00 55.73 54.54 1jry s ARG 487 Cb 0.07 0.39 -0.06 0.00 0.52 0.00 0.00 34.95 35.87 1jry s ARG 487 CO 0.73 -0.31 0.45 0.00 0.02 0.00 0.00 175.30 176.19 1jry s ALA 488 N -3.01 3.67 -1.09 2.13 0.00 -1.26 -4.97 121.76 117.23 1jry s ALA 488 Ca -0.02 -0.24 -0.14 0.00 0.00 0.00 0.00 51.96 51.56 1jry s ALA 488 Cb 0.01 -2.39 0.18 0.00 0.00 0.00 0.00 23.12 20.92 1jry s ALA 488 CO -0.06 0.50 1.25 -0.51 0.00 0.00 0.00 175.76 176.93 1jry s LEU 489 N -1.62 5.41 0.00 0.00 1.43 -1.26 -4.54 118.68 118.10 1jry s LEU 489 Ca 0.31 -2.82 0.00 0.00 -1.03 0.00 0.00 54.13 50.59 1jry s LEU 489 Cb -0.15 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1jry s LEU 489 CO 0.17 -0.74 0.59 -0.46 0.23 0.00 0.00 176.35 176.14 1jry n ASN 490 N 5.26 0.00 -4.30 2.29 2.04 -1.26 -4.90 115.26 114.38 1jry n ASN 490 Ca 0.29 -1.29 -0.34 0.00 -0.44 0.00 0.00 54.58 52.80 1jry n ASN 490 Cb 0.44 -0.06 -0.14 0.00 -2.53 0.00 0.00 39.78 37.49 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 3.34 6.41 -3.83 2.12 -1.26 -5.05 118.70 120.43 1jry s GLU 491 Ca 0.00 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.67 1jry s GLU 491 Cb 0.00 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.50 1jry s GLU 491 CO 0.00 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 1jry n GLY 492 N 4.51 2.31 3.94 -1.50 0.00 -1.26 -0.44 105.19 112.76 1jry n GLY 492 Ca -0.18 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 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 5.14 0.13 1.61 0.01 -1.26 -4.83 114.94 111.74 1jry s ASN 493 Ca 0.00 0.33 0.08 0.00 -0.71 0.00 0.00 52.86 52.56 1jry s ASN 493 Cb 0.00 -1.15 -0.04 0.00 0.41 0.00 0.00 41.25 40.47 1jry s ASN 493 CO 0.00 -1.32 -0.09 -0.31 -1.51 0.00 0.00 177.10 173.87 1jry s TYR 494 N -3.01 2.72 0.06 2.20 2.02 -0.59 -2.51 117.35 118.23 1jry s TYR 494 Ca 0.58 -0.17 0.03 0.00 -0.37 0.00 0.00 57.07 57.14 1jry s TYR 494 Cb -0.11 -1.39 -0.03 0.00 -0.40 0.00 0.00 41.96 40.04 1jry s TYR 494 CO 0.42 0.45 -0.10 0.71 -1.57 0.00 0.00 175.55 175.46 1jry s TYR 495 N -1.37 0.90 -0.01 2.71 2.02 -0.10 -1.95 117.35 119.55 1jry s TYR 495 Ca 0.23 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.45 1jry s TYR 495 Cb -0.10 -0.52 -0.00 0.00 -0.40 0.00 0.00 41.96 40.93 1jry s TYR 495 CO 0.14 -0.03 -0.09 0.00 -1.57 0.00 0.00 175.55 174.01 1jry s ALA 496 N -1.44 0.76 -0.15 3.71 0.00 -0.68 -2.57 121.76 121.40 1jry s ALA 496 Ca -0.06 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 1jry s ALA 496 Cb -0.09 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.84 1jry s ALA 496 CO 0.01 0.17 -0.07 0.42 0.00 0.00 0.00 175.76 176.29 1jry s ILE 497 N -0.11 1.13 -0.09 0.00 1.01 -0.19 -3.01 121.20 119.94 1jry s ILE 497 Ca 0.02 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 1jry s ILE 497 Cb -0.05 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1jry s ILE 497 CO -0.00 0.24 1.38 -0.70 0.00 0.00 0.00 174.94 175.86 1jry s GLU 498 N 1.64 4.25 0.09 2.79 2.12 -1.26 -0.67 118.70 127.66 1jry s GLU 498 Ca 0.03 1.86 0.05 0.00 0.36 0.00 0.00 54.97 57.26 1jry s GLU 498 Cb -0.14 -3.75 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 1jry s GLU 498 CO -0.08 -0.68 -0.13 0.14 -0.54 0.00 0.00 175.26 173.97 1jry s VAL 499 N 3.22 1.08 0.11 3.70 -7.23 0.14 -1.11 120.40 120.31 1jry s VAL 499 Ca 0.61 -1.46 -0.15 0.00 -1.81 0.00 0.00 61.98 59.17 1jry s VAL 499 Cb -0.27 -1.21 0.03 0.00 0.56 0.00 0.00 36.38 35.49 1jry s VAL 499 CO 0.22 -0.36 0.36 0.28 -0.31 0.00 0.00 175.10 175.29 1jry s THR 500 N -1.76 0.08 0.42 5.32 -1.32 -0.62 -0.35 115.64 117.42 1jry s THR 500 Ca 0.02 -0.69 -0.24 0.00 -1.21 0.00 0.00 61.69 59.57 1jry s THR 500 Cb -0.07 -1.19 -0.08 0.00 -1.51 0.00 0.00 72.50 69.65 1jry s THR 500 CO 0.02 -0.38 1.12 -2.84 -2.21 0.00 0.00 174.62 170.33 1jry s PRO 501 N -3.74 3.98 0.10 7.08 0.02 -1.12 -0.92 135.00 140.40 1jry s PRO 501 Ca 0.03 1.69 0.03 0.00 0.02 0.00 0.00 61.00 62.76 1jry s PRO 501 Cb 0.02 -2.52 -0.04 0.00 0.02 0.00 0.00 34.50 31.99 1jry s PRO 501 CO -0.11 -0.34 -0.08 0.20 -0.33 0.00 0.00 177.00 176.33 1jry s GLY 502 N -1.39 0.81 0.08 0.52 0.00 0.11 -4.69 107.32 102.76 1jry s GLY 502 Ca 0.60 -1.25 -0.31 0.00 0.00 0.00 0.00 44.72 43.76 1jry s GLY 502 CO 0.33 -1.34 1.40 0.14 0.00 0.00 0.00 173.10 173.62 1jry s VAL 503 N -2.94 3.45 0.00 1.40 1.01 0.80 -0.19 120.40 123.93 1jry s VAL 503 Ca 0.08 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1jry s VAL 503 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1jry s VAL 503 CO -0.02 0.05 0.00 1.57 0.00 0.00 0.00 175.10 176.70 1jry n HIS 504 N 4.45 0.00 -3.74 5.22 -0.00 0.25 -1.47 115.22 119.93 1jry n HIS 504 Ca 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.71 1jry n HIS 504 Cb 0.43 0.05 -0.10 0.00 -0.00 0.00 0.00 29.99 30.36 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 -1.59 -0.42 -0.41 1.57 5.04 -1.00 -4.82 115.29 113.66 1jry s HIS 505 Ca 0.00 1.02 -0.11 0.00 -1.54 0.00 0.00 55.06 54.43 1jry s HIS 505 Cb 0.00 0.14 0.06 0.00 0.04 0.00 0.00 32.58 32.82 1jry s HIS 505 CO 0.00 -0.20 0.25 0.95 -2.34 0.00 0.00 174.74 173.40 1jry s THR 506 N 0.22 4.49 0.32 0.89 -4.23 -1.26 -1.11 115.64 114.95 1jry s THR 506 Ca -0.00 -1.12 0.32 0.00 -1.18 0.00 0.00 61.69 59.71 1jry s THR 506 Cb -0.03 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.53 1jry s THR 506 CO 0.00 -0.39 2.07 0.24 -0.54 0.00 0.00 174.62 176.00 1jry h MET 507 N 8.46 0.00 -7.33 3.99 2.86 -1.70 -3.45 114.93 117.76 1jry h MET 507 Ca -0.25 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 56.94 1jry h MET 507 Cb 1.09 0.00 0.08 0.00 0.06 0.00 0.00 31.60 32.84 1jry h MET 507 CO 0.73 0.07 0.24 0.20 1.06 0.00 0.00 176.91 179.21 1jry s GLY 508 N -4.19 1.69 0.00 8.32 0.00 -1.16 -3.87 107.32 108.11 1jry s GLY 508 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1jry s GLY 508 CO 0.54 -0.53 0.00 0.61 0.00 0.00 0.00 173.10 173.72 1jry n GLY 509 N -2.98 -0.81 3.77 0.20 0.00 -0.29 -4.38 105.19 100.71 1jry n GLY 509 Ca 0.09 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.00 2.48 -0.00 1.61 1.01 -0.25 -0.82 120.40 121.43 1jry s VAL 510 Ca 0.00 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 1jry s VAL 510 Cb 0.00 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1jry s VAL 510 CO 0.00 0.12 1.33 -0.04 0.00 0.00 0.00 175.10 176.51 1jry s MET 511 N -1.89 4.31 0.18 2.72 -1.94 0.91 -0.97 119.30 122.62 1jry s MET 511 Ca 0.50 1.88 0.07 0.00 -1.71 0.00 0.00 55.69 56.43 1jry s MET 511 Cb -0.42 -3.53 -0.05 0.00 2.01 0.00 0.00 34.83 32.84 1jry s MET 511 CO 0.56 -0.51 -0.13 0.96 -0.01 0.00 0.00 175.02 175.90 1jry s ILE 512 N 2.17 1.54 0.06 2.53 -4.36 -1.26 -1.56 121.20 120.31 1jry s ILE 512 Ca 0.61 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.87 1jry s ILE 512 Cb -0.30 -1.95 0.01 0.00 1.25 0.00 0.00 42.46 41.47 1jry s ILE 512 CO 0.26 -0.63 0.08 -0.90 0.24 0.00 0.00 174.94 173.98 1jry n ASP 513 N -0.27 0.17 0.00 4.36 5.68 -0.48 -4.91 116.55 121.11 1jry n ASP 513 Ca -0.09 -1.13 0.09 0.00 -0.50 0.00 0.00 54.79 53.15 1jry n ASP 513 Cb 0.60 -0.04 0.41 0.00 -1.14 0.00 0.00 41.12 40.95 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 -1.21 0.64 -0.38 2.12 -2.24 -1.26 -0.47 114.28 111.48 1jry n THR 514 Ca 0.01 0.16 0.11 0.00 -2.27 0.00 0.00 64.05 62.06 1jry n THR 514 Cb 0.05 -0.86 0.30 0.00 -2.10 0.00 0.00 70.33 67.72 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 -1.40 2.87 -1.27 -0.78 4.76 -1.26 -4.95 118.16 116.13 1jry n LYS 515 Ca 0.06 -2.60 -0.09 0.00 -2.87 0.00 0.00 58.31 52.81 1jry n LYS 515 Cb 0.18 -1.56 -0.04 0.00 -1.84 0.00 0.00 35.03 31.76 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 1.40 -0.14 -2.53 7.82 0.00 0.38 -4.64 120.51 122.80 1jry n ALA 516 Ca 0.23 0.15 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 1jry n ALA 516 Cb 0.63 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.63 4.55 0.17 0.00 2.02 -1.26 -1.30 118.70 120.24 1jry s GLU 517 Ca 0.00 1.23 -0.30 0.00 0.02 0.00 0.00 54.97 55.92 1jry s GLU 517 Cb 0.00 -3.41 -0.07 0.00 0.10 0.00 0.00 34.13 30.74 1jry s GLU 517 CO 0.00 0.12 1.14 0.08 0.02 0.00 0.00 175.26 176.62 1jry s VAL 518 N 0.47 3.79 0.20 2.63 1.01 -0.32 -1.38 120.40 126.80 1jry s VAL 518 Ca 0.45 1.49 0.09 0.00 0.00 0.00 0.00 61.98 64.01 1jry s VAL 518 Cb -0.21 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1jry s VAL 518 CO 0.25 0.24 -0.09 -0.04 0.00 0.00 0.00 175.10 175.46 1jry s MET 519 N -0.17 2.07 0.58 2.72 -1.94 -0.60 0.02 119.30 121.97 1jry s MET 519 Ca 0.52 -1.32 0.02 0.00 -1.71 0.00 0.00 55.69 53.19 1jry s MET 519 Cb -0.30 -2.14 0.11 0.00 2.01 0.00 0.00 34.83 34.51 1jry s MET 519 CO 0.35 0.42 0.79 0.27 -0.01 0.00 0.00 175.02 176.84 1jry n ASN 520 N -0.13 1.24 -0.22 3.03 0.23 -0.12 -0.56 115.26 118.73 1jry n ASN 520 Ca -0.10 -2.01 0.06 0.00 -0.53 0.00 0.00 54.58 52.01 1jry n ASN 520 Cb 0.56 -0.50 0.32 0.00 -2.08 0.00 0.00 39.78 38.09 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 -0.42 1.66 0.00 -2.53 0.00 -1.90 -0.21 119.26 115.86 1jry h ALA 521 Ca -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1jry h ALA 521 Cb 1.01 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1jry h ALA 521 CO 0.30 0.21 0.00 1.63 0.00 0.00 0.00 179.25 181.38 1jry n LYS 522 N -4.49 0.78 -2.45 0.00 4.01 -1.26 -4.82 118.16 109.92 1jry n LYS 522 Ca 0.12 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.77 1jry n LYS 522 Cb 0.24 -1.26 0.00 0.00 -0.51 0.00 0.00 35.03 33.51 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 -0.76 -1.95 -3.59 1.97 4.01 -0.09 -5.00 118.16 112.75 1jry n LYS 523 Ca 0.10 0.70 -0.37 0.00 -0.51 0.00 0.00 58.31 58.23 1jry n LYS 523 Cb 0.04 -5.03 -0.06 0.00 -0.51 0.00 0.00 35.03 29.47 1jry n LYS 523 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1jry s GLN 524 N -4.95 3.89 0.33 1.97 -0.21 -1.26 -4.81 119.66 114.63 1jry s GLN 524 Ca 0.07 0.23 -0.29 0.00 0.02 0.00 0.00 55.36 55.40 1jry s GLN 524 Cb -0.03 -3.26 -0.10 0.00 1.00 0.00 0.00 33.01 30.61 1jry s GLN 524 CO 0.09 0.60 1.32 0.08 -2.12 0.00 0.00 175.29 175.26 1jry s VAL 525 N -0.70 2.66 -0.48 1.09 1.01 -1.26 -0.95 120.40 121.77 1jry s VAL 525 Ca 0.20 0.66 -0.18 0.00 0.00 0.00 0.00 61.98 62.67 1jry s VAL 525 Cb -0.15 -3.42 0.06 0.00 0.00 0.00 0.00 36.38 32.87 1jry s VAL 525 CO 0.09 0.16 0.52 -0.51 0.00 0.00 0.00 175.10 175.36 1jry s ILE 526 N -1.12 5.02 0.07 2.22 1.10 0.10 -4.89 121.20 123.71 1jry s ILE 526 Ca 0.49 -0.64 -0.35 0.00 -0.51 0.00 0.00 60.65 59.65 1jry s ILE 526 Cb -0.40 -4.20 -0.14 0.00 0.15 0.00 0.00 42.46 37.86 1jry s ILE 526 CO 0.54 -0.66 1.57 -2.65 -2.11 0.00 0.00 174.94 171.62 1jry n PRO 527 N 5.77 1.81 -0.33 3.50 -0.02 -1.26 -1.35 135.00 143.12 1jry n PRO 527 Ca -0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1jry n PRO 527 Cb 0.45 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 3.38 1.41 3.46 -1.23 0.00 -1.26 -1.32 105.19 109.63 1jry n GLY 528 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 3.41 0.20 0.99 0.20 -0.46 -0.87 118.68 122.16 1jry s LEU 529 Ca 0.00 -0.18 0.11 0.00 0.69 0.00 0.00 54.13 54.75 1jry s LEU 529 Cb 0.00 -1.89 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 1jry s LEU 529 CO 0.00 0.02 -0.22 -0.31 -0.29 0.00 0.00 176.35 175.55 1jry s TYR 530 N 1.30 2.16 -0.01 5.38 1.51 0.34 -1.17 117.35 126.86 1jry s TYR 530 Ca 0.05 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.73 1jry s TYR 530 Cb -0.15 -1.05 -0.00 0.00 -0.11 0.00 0.00 41.96 40.65 1jry s TYR 530 CO 0.03 0.49 -0.05 0.20 -1.11 0.00 0.00 175.55 175.10 1jry s GLY 531 N -2.81 0.27 -0.16 0.71 0.00 -0.42 -0.15 107.32 104.75 1jry s GLY 531 Ca 0.21 -0.22 -0.11 0.00 0.00 0.00 0.00 44.72 44.60 1jry s GLY 531 CO 0.10 -0.16 0.40 0.00 0.00 0.00 0.00 173.10 173.44 1jry s ALA 532 N -0.08 -1.01 0.00 3.20 0.00 -0.69 -4.78 121.76 118.41 1jry s ALA 532 Ca 0.01 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1jry s ALA 532 Cb -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1jry s ALA 532 CO -0.00 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1jry n GLY 533 N 3.59 -0.87 0.13 0.00 0.00 -1.26 -4.35 105.19 102.43 1jry n GLY 533 Ca -0.19 -2.14 0.11 0.00 0.00 0.00 0.00 46.02 43.81 1jry n GLY 533 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jry n GLU 534 N 0.00 0.18 0.29 1.61 2.13 -1.26 -0.93 120.64 122.65 1jry n GLU 534 Ca 0.00 0.47 0.18 0.00 0.66 0.00 0.00 57.16 58.47 1jry n GLU 534 Cb 0.00 -1.88 0.78 0.00 0.27 0.00 0.00 31.44 30.60 1jry n GLU 534 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1jry h VAL 535 N 0.00 0.05 -3.35 6.31 3.04 -1.75 -3.37 116.25 117.18 1jry h VAL 535 Ca 0.00 -0.45 -0.49 0.00 -1.01 0.00 0.00 66.70 64.75 1jry h VAL 535 Cb 0.27 1.42 0.03 0.00 -2.01 0.00 0.00 31.29 31.00 1jry h VAL 535 CO 0.00 0.02 0.03 0.42 -1.01 0.00 0.00 177.57 177.03 1jry s THR 536 N -3.78 4.91 0.30 3.17 -4.23 -0.11 -1.09 115.64 114.81 1jry s THR 536 Ca -0.00 0.01 0.11 0.00 -1.18 0.00 0.00 61.69 60.62 1jry s THR 536 Cb 0.10 -3.85 -0.05 0.00 1.34 0.00 0.00 72.50 70.04 1jry s THR 536 CO 0.53 -0.76 -0.12 -0.83 -0.54 0.00 0.00 174.62 172.90 1jry s GLY 537 N -4.10 1.92 0.00 3.99 0.00 -0.14 -3.94 107.32 105.05 1jry s GLY 537 Ca 0.46 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 43.29 1jry s GLY 537 CO 0.42 -1.93 0.00 0.61 0.00 0.00 0.00 173.10 172.20 1jry n GLY 538 N -0.74 3.29 0.14 0.20 0.00 -1.25 -4.50 105.19 102.33 1jry n GLY 538 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 1.42 -0.15 1.61 2.07 -1.87 0.10 116.25 119.43 1jry h VAL 539 Ca 0.00 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1jry h VAL 539 Cb 0.00 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1jry h VAL 539 CO 0.00 0.53 0.00 1.41 0.02 0.00 0.00 177.57 179.53 1jry n HIS 540 N -4.35 0.18 -0.53 1.57 -0.00 -1.26 -4.63 115.22 106.20 1jry n HIS 540 Ca -0.09 -0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 1jry n HIS 540 Cb 0.55 -0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 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 1.22 3.23 0.05 -1.41 0.00 -1.26 -2.60 105.19 104.42 1jry n GLY 541 Ca 0.14 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 10.32 2.78 -3.37 4.61 0.00 -0.62 -4.78 120.51 129.44 1jry n ALA 542 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 53.44 53.28 1jry n ALA 542 Cb 0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 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 -3.83 -0.88 0.36 0.00 2.47 -1.07 -4.82 114.94 107.17 1jry s ASN 543 Ca 0.10 0.94 -0.26 0.00 0.42 0.00 0.00 52.86 54.06 1jry s ASN 543 Cb 0.15 1.89 -0.09 0.00 -1.45 0.00 0.00 41.25 41.75 1jry s ASN 543 CO 0.65 -0.17 1.06 -0.60 -3.72 0.00 0.00 177.10 174.33 1jry s ARG 544 N 2.74 4.30 0.30 0.43 3.52 -1.25 -3.23 118.95 125.76 1jry s ARG 544 Ca 0.02 1.60 -0.22 0.00 -0.13 0.00 0.00 55.73 56.99 1jry s ARG 544 Cb -0.10 -2.74 -0.09 0.00 -1.56 0.00 0.00 34.95 30.46 1jry s ARG 544 CO -0.18 -0.04 0.85 -0.51 -0.81 0.00 0.00 175.30 174.62 1jry s LEU 545 N -2.28 4.26 0.30 -0.88 1.43 -1.26 -4.78 118.68 115.47 1jry s LEU 545 Ca 0.54 1.62 -0.30 0.00 -1.03 0.00 0.00 54.13 54.95 1jry s LEU 545 Cb -0.25 -3.94 -0.11 0.00 0.03 0.00 0.00 46.19 41.91 1jry s LEU 545 CO 0.32 -0.08 1.61 -0.83 0.23 0.00 0.00 176.35 177.59 1jry s GLY 546 N -1.77 2.10 0.00 -3.19 0.00 -1.26 -1.48 107.32 101.72 1jry s GLY 546 Ca 0.50 1.60 0.00 0.00 0.00 0.00 0.00 44.72 46.81 1jry s GLY 546 CO 0.21 2.58 0.00 0.61 0.00 0.00 0.00 173.10 176.49 1jry n GLY 547 N 2.15 1.59 0.18 0.20 0.00 -1.26 -4.77 105.19 103.28 1jry n GLY 547 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 0.08 1.61 4.21 -1.53 -0.88 115.58 119.06 1jry h ASN 548 Ca 0.00 -0.01 -0.19 0.00 1.21 0.00 0.00 56.30 57.32 1jry h ASN 548 Cb 0.00 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.22 1jry h ASN 548 CO 0.00 0.00 -0.77 0.00 -1.29 0.00 0.00 177.43 175.37 1jry h ALA 549 N 2.13 -0.01 -0.55 -0.83 0.00 -1.90 -0.76 119.26 117.33 1jry h ALA 549 Ca 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 1jry h ALA 549 Cb 0.94 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1jry h ALA 549 CO 0.00 0.40 0.19 0.82 0.00 0.00 0.00 179.25 180.66 1jry h ILE 550 N -0.18 1.21 0.16 0.00 1.08 -1.81 0.05 117.51 118.02 1jry h ILE 550 Ca -0.12 -0.68 -0.01 0.00 -0.39 0.00 0.00 64.86 63.66 1jry h ILE 550 Cb 1.53 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 1jry h ILE 550 CO 0.15 0.26 -0.08 -1.28 -0.69 0.00 0.00 178.15 176.52 1jry h SER 551 N 0.79 -0.18 -0.14 1.72 0.87 -1.58 -2.87 113.55 112.15 1jry h SER 551 Ca 0.19 -0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.76 1jry h SER 551 Cb 0.20 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.14 1jry h SER 551 CO -0.01 -0.08 -0.29 -0.78 -0.53 0.00 0.00 176.83 175.14 1jry h ASP 552 N -0.27 -0.89 -0.06 6.23 1.82 -0.54 -2.27 116.42 120.44 1jry h ASP 552 Ca -0.02 0.14 -0.07 0.00 -0.39 0.00 0.00 57.03 56.68 1jry h ASP 552 Cb 0.21 0.39 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 1jry h ASP 552 CO 0.04 -0.33 -0.17 0.16 -1.61 0.00 0.00 179.24 177.32 1jry h ILE 553 N -0.35 1.23 0.13 2.25 3.07 -0.94 0.51 117.51 123.41 1jry h ILE 553 Ca 0.10 -1.06 -0.01 0.00 1.55 0.00 0.00 64.86 65.45 1jry h ILE 553 Cb 0.51 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 38.30 1jry h ILE 553 CO -0.34 0.34 -0.06 0.40 -1.05 0.00 0.00 178.15 177.43 1jry h ILE 554 N 0.38 1.03 -0.02 0.16 1.08 -1.44 0.14 117.51 118.84 1jry h ILE 554 Ca 0.07 -0.92 0.02 0.00 -0.39 0.00 0.00 64.86 63.63 1jry h ILE 554 Cb 0.53 1.59 -0.02 0.00 -3.07 0.00 0.00 36.82 35.85 1jry h ILE 554 CO 0.03 0.21 -0.07 0.74 -0.69 0.00 0.00 178.15 178.38 1jry h THR 555 N -0.64 0.82 0.11 -0.27 2.02 -1.14 0.28 112.91 114.10 1jry h THR 555 Ca -0.02 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.90 1jry h THR 555 Cb 0.48 0.82 0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1jry h THR 555 CO 0.03 0.00 -1.19 -0.26 0.37 0.00 0.00 175.52 174.47 1jry h PHE 556 N -0.11 0.52 -0.14 3.16 0.04 -1.01 -1.85 116.94 117.55 1jry h PHE 556 Ca 0.03 -0.36 -0.00 0.00 2.80 0.00 0.00 57.97 60.44 1jry h PHE 556 Cb 0.15 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1jry h PHE 556 CO -0.15 1.26 0.08 0.78 -0.60 0.00 0.00 178.31 179.68 1jry h GLY 557 N 1.49 0.21 0.85 -1.45 0.00 -0.61 0.13 103.07 103.68 1jry h GLY 557 Ca -0.13 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.14 1jry h GLY 557 CO 0.20 0.09 0.25 -0.09 0.00 0.00 0.00 176.54 176.98 1jry h ARG 558 N 0.14 0.48 -0.35 4.80 2.43 -0.99 -0.51 114.38 120.38 1jry h ARG 558 Ca 0.05 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1jry h ARG 558 Cb 0.06 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1jry h ARG 558 CO -0.01 0.32 -0.01 1.25 -1.51 0.00 0.00 179.97 180.01 1jry h LEU 559 N 0.49 0.61 -0.77 3.80 7.12 -1.18 -2.16 115.31 123.23 1jry h LEU 559 Ca 0.18 -0.32 0.00 0.00 0.13 0.00 0.00 57.88 57.88 1jry h LEU 559 Cb 0.04 -0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 39.97 1jry h LEU 559 CO -0.10 0.78 0.49 0.00 -0.13 0.00 0.00 178.44 179.48 1jry h ALA 560 N 0.85 0.97 -0.49 1.25 0.00 -0.32 0.13 119.26 121.66 1jry h ALA 560 Ca 0.10 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1jry h ALA 560 Cb 0.47 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1jry h ALA 560 CO 0.02 0.41 0.04 0.78 0.00 0.00 0.00 179.25 180.50 1jry h GLY 561 N 1.04 0.85 0.85 0.00 0.00 -0.94 0.29 103.07 105.17 1jry h GLY 561 Ca 0.28 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 1jry h GLY 561 CO -0.06 0.50 -0.24 0.83 0.00 0.00 0.00 176.54 177.57 1jry h GLU 562 N 0.75 0.51 -0.68 4.80 5.08 -0.89 -1.41 114.58 122.74 1jry h GLU 562 Ca 0.15 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1jry h GLU 562 Cb 0.40 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1jry h GLU 562 CO 0.01 0.88 0.17 0.93 -1.00 0.00 0.00 179.01 180.00 1jry h GLU 563 N 0.18 1.08 -0.55 2.33 4.39 -0.58 -2.28 114.58 119.15 1jry h GLU 563 Ca 0.03 -0.26 -0.09 0.00 0.34 0.00 0.00 59.36 59.38 1jry h GLU 563 Cb 0.81 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1jry h GLU 563 CO 0.06 0.96 -0.01 0.00 -1.16 0.00 0.00 179.01 178.86 1jry h ALA 564 N 1.07 0.94 -0.78 3.43 0.00 -0.88 0.11 119.26 123.15 1jry h ALA 564 Ca 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1jry h ALA 564 Cb 0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1jry h ALA 564 CO 0.00 0.64 0.47 0.00 0.00 0.00 0.00 179.25 180.36 1jry h ALA 565 N 1.10 1.00 -0.30 0.00 0.00 -1.07 -1.83 119.26 118.15 1jry h ALA 565 Ca 0.16 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1jry h ALA 565 Cb 0.53 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1jry h ALA 565 CO 0.03 0.47 -0.46 0.87 0.00 0.00 0.00 179.25 180.15 1jry h LYS 566 N 1.07 0.80 -0.89 0.00 1.57 -1.27 -2.88 116.57 114.98 1jry h LYS 566 Ca 0.28 -0.46 0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1jry h LYS 566 Cb -0.03 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1jry h LYS 566 CO -0.05 1.09 0.58 -0.92 -0.57 0.00 0.00 179.45 179.58 1jry h TYR 567 N 0.64 1.00 0.00 -1.35 3.20 -0.68 -3.51 116.97 116.27 1jry h TYR 567 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1jry h TYR 567 Cb 1.04 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1jry h TYR 567 CO 0.06 0.51 0.00 -1.13 -1.64 0.00 0.00 178.16 175.95