#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p2e n ASP 2 N 0.00 0.70 -3.84 0.00 8.00 -1.26 -4.97 116.55 115.18 1p2e n ASP 2 Ca 0.00 0.16 -0.10 0.00 0.71 0.00 0.00 54.79 55.57 1p2e n ASP 2 Cb 0.00 0.61 -0.06 0.00 -0.02 0.00 0.00 41.12 41.66 1p2e n ASP 2 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1p2e s ASN 3 N -4.82 -0.07 0.33 -2.24 2.20 -1.26 -4.69 114.94 104.38 1p2e s ASN 3 Ca 0.01 -0.66 0.01 0.00 -0.94 0.00 0.00 52.86 51.28 1p2e s ASN 3 Cb 0.11 0.47 0.56 0.00 -2.00 0.00 0.00 41.25 40.40 1p2e s ASN 3 CO 0.79 -0.92 1.95 0.25 -2.94 0.00 0.00 177.10 176.23 1p2e h LEU 4 N 2.45 0.72 0.11 3.54 5.85 -1.72 -1.41 115.31 124.86 1p2e h LEU 4 Ca -0.31 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1p2e h LEU 4 Cb 1.24 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1p2e h LEU 4 CO 0.46 0.60 -0.05 0.00 -0.34 0.00 0.00 178.44 179.10 1p2e h ALA 5 N 1.52 -0.15 -0.75 1.25 0.00 -0.19 -1.93 119.26 119.01 1p2e h ALA 5 Ca 0.21 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1p2e h ALA 5 Cb 0.05 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 1p2e h ALA 5 CO -0.03 -0.45 0.34 1.49 0.00 0.00 0.00 179.25 180.60 1p2e h GLU 6 N -0.42 0.51 0.04 0.00 4.81 -1.76 0.33 114.58 118.10 1p2e h GLU 6 Ca -0.02 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1p2e h GLU 6 Cb 0.34 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1p2e h GLU 6 CO 0.03 0.34 -0.20 0.35 -0.73 0.00 0.00 179.01 178.79 1p2e h PHE 7 N 0.52 -0.54 -0.02 0.92 3.57 -1.24 -2.29 116.94 117.87 1p2e h PHE 7 Ca 0.40 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.82 1p2e h PHE 7 Cb 0.54 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1p2e h PHE 7 CO -0.13 -0.29 -0.40 0.45 -2.23 0.00 0.00 178.31 175.70 1p2e h HIS 8 N -0.35 0.04 0.00 0.41 3.86 0.13 -2.92 115.15 116.32 1p2e h HIS 8 Ca 0.05 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1p2e h HIS 8 Cb 0.40 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1p2e h HIS 8 CO -0.23 0.43 0.00 1.33 0.86 0.00 0.00 177.93 180.32 1p2e n VAL 9 N -4.06 0.00 0.47 2.45 0.24 0.87 -2.17 118.33 116.13 1p2e n VAL 9 Ca -0.02 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.41 1p2e n VAL 9 Cb 0.44 -0.12 0.38 0.00 -1.47 0.00 0.00 33.84 33.07 1p2e n VAL 9 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1p2e h GLN 10 N 0.01 0.00 0.00 7.34 4.20 -1.50 -3.31 115.11 121.85 1p2e h GLN 10 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1p2e h GLN 10 Cb 0.02 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1p2e h GLN 10 CO 0.00 0.00 -0.35 0.09 -0.67 0.00 0.00 178.83 177.90 1p2e n ASN 11 N -2.51 0.02 -3.81 1.46 4.13 -0.92 -5.12 115.26 108.50 1p2e n ASN 11 Ca 0.04 -1.65 -0.12 0.00 1.68 0.00 0.00 54.58 54.53 1p2e n ASN 11 Cb 0.41 -0.12 -0.09 0.00 -1.54 0.00 0.00 39.78 38.45 1p2e n ASN 11 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1p2e s GLN 12 N 0.00 0.66 0.63 3.52 -0.21 -0.94 -5.14 119.66 118.17 1p2e s GLN 12 Ca 0.02 -0.42 -0.11 0.00 0.02 0.00 0.00 55.36 54.87 1p2e s GLN 12 Cb 0.02 0.28 -0.03 0.00 1.00 0.00 0.00 33.01 34.28 1p2e s GLN 12 CO -0.01 -0.18 1.03 -1.21 -2.12 0.00 0.00 175.29 172.80 1p2e s GLU 13 N -1.90 3.51 0.30 2.91 0.41 -1.26 -4.44 118.70 118.23 1p2e s GLU 13 Ca -0.10 0.78 0.06 0.00 -0.41 0.00 0.00 54.97 55.30 1p2e s GLU 13 Cb -0.04 -2.07 0.81 0.00 -1.78 0.00 0.00 34.13 31.05 1p2e s GLU 13 CO 0.00 -0.64 1.69 0.00 -0.49 0.00 0.00 175.26 175.82 1p2e n ASP 15 N -5.05 0.00 0.22 0.00 5.75 -1.26 -2.35 116.55 113.86 1p2e n ASP 15 Ca 0.24 -1.44 0.15 0.00 -0.01 0.00 0.00 54.79 53.74 1p2e n ASP 15 Cb 0.73 0.00 0.59 0.00 -1.03 0.00 0.00 41.12 41.41 1p2e n ASP 15 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1p2e h SER 16 N 0.00 0.00 0.00 -1.12 4.64 -0.88 -3.34 113.55 112.85 1p2e h SER 16 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1p2e h SER 16 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1p2e h SER 16 CO 0.00 0.00 -1.58 0.00 -0.87 0.00 0.00 176.83 174.38 1p2e s HIS 18 N -2.20 3.52 0.96 0.00 3.76 -0.99 -4.42 115.29 115.91 1p2e s HIS 18 Ca -0.09 0.47 -0.11 0.00 -0.15 0.00 0.00 55.06 55.18 1p2e s HIS 18 Cb 0.03 -2.00 0.17 0.00 1.11 0.00 0.00 32.58 31.89 1p2e s HIS 18 CO 0.29 0.02 1.10 0.95 -0.85 0.00 0.00 174.74 176.25 1p2e s THR 19 N -2.43 2.31 0.40 1.30 -4.23 -1.26 -4.58 115.64 107.15 1p2e s THR 19 Ca 0.42 0.10 0.17 0.00 -1.18 0.00 0.00 61.69 61.19 1p2e s THR 19 Cb -0.10 -2.27 0.38 0.00 1.34 0.00 0.00 72.50 71.85 1p2e s THR 19 CO 0.38 -0.13 1.82 -0.65 -0.54 0.00 0.00 174.62 175.50 1p2e h PRO 20 N -1.94 0.43 -0.00 3.99 0.11 -1.93 0.53 132.00 133.20 1p2e h PRO 20 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1p2e h PRO 20 Cb 1.28 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1p2e h PRO 20 CO 0.48 0.29 -0.48 -0.40 -0.21 0.00 0.00 178.00 177.67 1p2e n ASP 21 N -4.57 0.71 0.00 -2.05 5.68 -1.26 -4.94 116.55 110.12 1p2e n ASP 21 Ca 0.22 -0.50 0.00 0.00 -0.50 0.00 0.00 54.79 54.01 1p2e n ASP 21 Cb 0.74 0.29 0.00 0.00 -1.14 0.00 0.00 41.12 41.01 1p2e n ASP 21 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1p2e n GLY 22 N 1.46 1.29 3.75 6.12 0.00 0.19 -5.02 105.19 112.97 1p2e n GLY 22 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1p2e n GLY 22 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p2e s GLU 23 N -0.10 2.54 0.01 1.61 2.12 -1.26 -4.68 118.70 118.94 1p2e s GLU 23 Ca 0.00 1.59 -0.30 0.00 0.36 0.00 0.00 54.97 56.62 1p2e s GLU 23 Cb 0.00 -1.90 -0.04 0.00 0.26 0.00 0.00 34.13 32.45 1p2e s GLU 23 CO 0.00 -1.49 1.16 -0.51 -0.54 0.00 0.00 175.26 173.88 1p2e s LEU 24 N -4.89 4.34 0.22 2.70 1.43 -1.26 -4.41 118.68 116.82 1p2e s LEU 24 Ca 0.71 1.89 -0.08 0.00 -1.03 0.00 0.00 54.13 55.62 1p2e s LEU 24 Cb -0.25 -3.57 0.35 0.00 0.03 0.00 0.00 46.19 42.75 1p2e s LEU 24 CO 0.42 -0.47 1.71 0.77 0.23 0.00 0.00 176.35 179.00 1p2e h SER 25 N 7.02 0.06 -1.69 2.29 4.64 -1.94 -3.47 113.55 120.46 1p2e h SER 25 Ca -0.39 0.12 0.22 0.00 -0.47 0.00 0.00 61.79 61.27 1p2e h SER 25 Cb 1.20 0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 63.39 1p2e h SER 25 CO 0.83 0.02 0.61 -0.46 -0.87 0.00 0.00 176.83 176.95 1p2e n ASN 26 N -5.11 -0.96 0.00 4.97 0.23 -1.26 -4.97 115.26 108.17 1p2e n ASN 26 Ca 0.11 -1.29 0.12 0.00 -0.53 0.00 0.00 54.58 52.99 1p2e n ASN 26 Cb 0.36 1.50 0.54 0.00 -2.08 0.00 0.00 39.78 40.11 1p2e n ASN 26 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1p2e n ASP 27 N -0.89 0.02 0.03 0.53 8.00 -1.26 -1.14 116.55 121.83 1p2e n ASP 27 Ca 0.02 0.50 0.12 0.00 0.71 0.00 0.00 54.79 56.15 1p2e n ASP 27 Cb 0.42 -0.51 0.30 0.00 -0.02 0.00 0.00 41.12 41.32 1p2e n ASP 27 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1p2e n SER 28 N -1.52 0.49 -3.62 -2.24 7.64 -1.25 -4.35 113.62 108.76 1p2e n SER 28 Ca 0.06 0.06 -0.25 0.00 1.01 0.00 0.00 58.87 59.75 1p2e n SER 28 Cb 0.30 0.02 0.06 0.00 -1.01 0.00 0.00 64.21 63.58 1p2e n SER 28 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1p2e n LEU 29 N -1.74 -3.13 0.04 -3.43 4.77 -0.29 -4.88 117.00 108.34 1p2e n LEU 29 Ca 0.05 -0.57 -0.07 0.00 -0.03 0.00 0.00 56.01 55.39 1p2e n LEU 29 Cb 0.37 -2.91 -0.04 0.00 -2.33 0.00 0.00 43.42 38.51 1p2e n LEU 29 CO 0.34 0.58 0.51 0.74 -1.33 0.00 0.00 177.39 178.22 1p2e h THR 30 N -2.45 0.00 -0.56 -5.08 2.02 -1.92 0.21 112.91 105.14 1p2e h THR 30 Ca -0.57 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.72 1p2e h THR 30 Cb 1.37 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.69 1p2e h THR 30 CO 0.59 0.00 0.07 0.22 0.37 0.00 0.00 175.52 176.76 1p2e h TYR 31 N -0.31 0.09 -0.72 3.16 5.03 -1.95 -1.65 116.97 120.62 1p2e h TYR 31 Ca 0.00 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.30 1p2e h TYR 31 Cb 0.32 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.62 1p2e h TYR 31 CO -0.39 -0.08 0.26 0.93 -1.32 0.00 0.00 178.16 177.56 1p2e h GLU 32 N 0.19 1.08 -0.18 1.82 3.07 -1.72 -2.27 114.58 116.58 1p2e h GLU 32 Ca 0.29 -0.20 -0.17 0.00 -0.50 0.00 0.00 59.36 58.78 1p2e h GLU 32 Cb 0.44 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1p2e h GLU 32 CO -0.42 0.90 -0.58 -0.91 -1.40 0.00 0.00 179.01 176.60 1p2e h ASN 33 N 1.05 0.64 -0.94 1.42 2.35 -0.23 -2.53 115.58 117.35 1p2e h ASN 33 Ca 0.24 -0.35 0.13 0.00 -0.55 0.00 0.00 56.30 55.76 1p2e h ASN 33 Cb 0.24 -0.18 -0.09 0.00 0.05 0.00 0.00 38.32 38.34 1p2e h ASN 33 CO -0.01 1.08 0.56 0.74 -1.65 0.00 0.00 177.43 178.14 1p2e h THR 34 N 0.43 0.85 -0.24 2.81 2.02 -1.22 0.83 112.91 118.39 1p2e h THR 34 Ca 0.00 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1p2e h THR 34 Cb 1.14 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1p2e h THR 34 CO 0.11 0.15 0.03 1.56 0.37 0.00 0.00 175.52 177.74 1p2e h GLN 35 N 0.85 0.40 -0.81 6.66 1.08 -0.99 0.24 115.11 122.53 1p2e h GLN 35 Ca 0.48 -0.11 0.14 0.00 -1.45 0.00 0.00 58.65 57.71 1p2e h GLN 35 Cb 0.55 -0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.85 1p2e h GLN 35 CO -0.30 0.54 0.40 0.00 -0.95 0.00 0.00 178.83 178.53 1p2e h VAL 37 N 0.60 1.27 -0.17 0.00 2.07 -0.08 0.97 116.25 120.90 1p2e h VAL 37 Ca 0.44 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 1p2e h VAL 37 Cb 0.60 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1p2e h VAL 37 CO -0.35 0.45 -0.11 0.77 0.02 0.00 0.00 177.57 178.35 1p2e h SER 38 N 0.82 0.25 0.10 0.57 4.64 0.03 0.53 113.55 120.49 1p2e h SER 38 Ca 0.12 -0.05 -0.34 0.00 -0.47 0.00 0.00 61.79 61.05 1p2e h SER 38 Cb 0.73 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 1p2e h SER 38 CO 0.06 0.40 -1.88 0.00 -0.87 0.00 0.00 176.83 174.53 1p2e n HIS 40 N -3.67 0.00 0.00 0.00 8.25 0.32 -5.08 115.22 115.04 1p2e n HIS 40 Ca -0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 1p2e n HIS 40 Cb 0.97 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.94 1p2e n HIS 40 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1p2e n GLY 41 N 1.39 0.40 3.33 -1.41 0.00 0.18 -4.52 105.19 104.56 1p2e n GLY 41 Ca 0.10 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 1p2e n GLY 41 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p2e n THR 42 N 0.59 0.00 -0.08 2.61 -2.24 -1.26 -4.39 114.28 109.52 1p2e n THR 42 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1p2e n THR 42 Cb 0.00 -1.10 0.30 0.00 -2.10 0.00 0.00 70.33 67.43 1p2e n THR 42 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1p2e h LEU 43 N 0.00 0.63 -0.17 3.22 5.85 -1.92 -0.89 115.31 122.03 1p2e h LEU 43 Ca -0.40 -0.07 -0.20 0.00 0.84 0.00 0.00 57.88 58.05 1p2e h LEU 43 Cb 1.30 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 42.18 1p2e h LEU 43 CO 0.25 0.56 -0.69 0.00 -0.34 0.00 0.00 178.44 178.22 1p2e h ALA 44 N 1.54 0.31 -0.76 1.25 0.00 -1.92 -2.34 119.26 117.34 1p2e h ALA 44 Ca 0.17 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1p2e h ALA 44 Cb 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1p2e h ALA 44 CO -0.02 0.62 0.37 0.93 0.00 0.00 0.00 179.25 181.16 1p2e h GLU 45 N 0.49 1.08 0.00 0.00 5.08 -1.85 -0.34 114.58 119.03 1p2e h GLU 45 Ca -0.04 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1p2e h GLU 45 Cb 1.32 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1p2e h GLU 45 CO 0.14 0.82 -0.38 0.28 -1.00 0.00 0.00 179.01 178.88 1p2e h VAL 46 N 1.07 0.92 -0.11 3.13 2.07 -1.08 -3.09 116.25 119.16 1p2e h VAL 46 Ca 0.26 -1.51 -0.11 0.00 0.82 0.00 0.00 66.70 66.16 1p2e h VAL 46 Cb 0.10 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1p2e h VAL 46 CO -0.03 0.37 -0.43 0.00 0.02 0.00 0.00 177.57 177.50 1p2e h ALA 47 N 1.62 1.07 -0.49 1.67 0.00 -0.49 -2.50 119.26 120.15 1p2e h ALA 47 Ca -0.00 -0.43 0.14 0.00 0.00 0.00 0.00 54.91 54.62 1p2e h ALA 47 Cb 0.88 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1p2e h ALA 47 CO 0.05 0.61 0.40 0.93 0.00 0.00 0.00 179.25 181.24 1p2e h GLU 48 N 0.21 0.00 -0.29 0.00 4.39 -1.44 0.17 114.58 117.63 1p2e h GLU 48 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1p2e h GLU 48 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1p2e h GLU 48 CO 0.07 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 178.17 1p2e n THR 49 N -4.11 0.36 -2.44 1.13 -2.24 -0.94 -4.21 114.28 101.83 1p2e n THR 49 Ca 0.09 -0.64 -0.05 0.00 -2.27 0.00 0.00 64.05 61.18 1p2e n THR 49 Cb 0.61 1.00 0.05 0.00 -2.10 0.00 0.00 70.33 69.89 1p2e n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1p2e n THR 50 N 1.30 1.49 -2.23 4.28 -2.24 0.60 -5.10 114.28 112.38 1p2e n THR 50 Ca 0.18 -2.98 -0.39 0.00 -2.27 0.00 0.00 64.05 58.58 1p2e n THR 50 Cb 0.57 0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 1p2e n THR 50 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1p2e s LYS 51 N -3.06 4.22 0.09 -0.78 1.02 -1.16 -4.64 119.74 115.43 1p2e s LYS 51 Ca 0.36 2.00 0.05 0.00 0.02 0.00 0.00 55.97 58.40 1p2e s LYS 51 Cb 0.36 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 1p2e s LYS 51 CO -0.04 -0.23 -0.13 -1.01 -0.92 0.00 0.00 175.35 173.02 1p2e s HIS 52 N -1.27 1.22 0.07 3.18 3.76 -1.06 -5.05 115.29 116.15 1p2e s HIS 52 Ca 0.53 -0.51 -0.23 0.00 -0.15 0.00 0.00 55.06 54.69 1p2e s HIS 52 Cb -0.35 -0.67 -0.10 0.00 1.11 0.00 0.00 32.58 32.57 1p2e s HIS 52 CO 0.45 0.07 1.37 1.05 -0.85 0.00 0.00 174.74 176.83 1p2e h GLU 53 N 4.01 -0.46 -0.64 1.40 9.09 -2.04 -3.28 114.58 122.65 1p2e h GLU 53 Ca -0.40 0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.04 1p2e h GLU 53 Cb 1.19 0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 1p2e h GLU 53 CO 0.44 -0.31 0.00 0.72 0.05 0.00 0.00 179.01 179.92 1p2e n HIS 54 N -4.48 0.86 -3.61 2.06 8.25 -1.26 -4.99 115.22 112.06 1p2e n HIS 54 Ca -0.05 -0.43 -0.06 0.00 -0.26 0.00 0.00 57.72 56.92 1p2e n HIS 54 Cb 0.27 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.36 1p2e n HIS 54 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1p2e s TYR 55 N -1.15 -0.23 -0.30 4.41 1.13 -1.24 -4.87 117.35 115.10 1p2e s TYR 55 Ca 0.43 0.04 -0.11 0.00 -1.41 0.00 0.00 57.07 56.02 1p2e s TYR 55 Cb 0.22 0.58 0.13 0.00 -1.10 0.00 0.00 41.96 41.79 1p2e s TYR 55 CO 0.29 -0.61 0.68 1.21 -2.51 0.00 0.00 175.55 174.61 1p2e s ASN 56 N -2.67 -1.09 0.27 -0.18 3.04 -1.26 -2.55 114.94 110.50 1p2e s ASN 56 Ca 0.09 1.52 -0.04 0.00 0.04 0.00 0.00 52.86 54.47 1p2e s ASN 56 Cb -0.01 2.18 0.56 0.00 -1.54 0.00 0.00 41.25 42.44 1p2e s ASN 56 CO -0.04 -0.21 1.61 0.00 -3.04 0.00 0.00 177.10 175.41 1p2e h ALA 57 N 7.86 0.93 -0.28 1.71 0.00 -1.97 -2.45 119.26 125.06 1p2e h ALA 57 Ca -0.19 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1p2e h ALA 57 Cb 1.11 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1p2e h ALA 57 CO 0.10 -0.47 0.00 0.72 0.00 0.00 0.00 179.25 179.61 1p2e n HIS 58 N -5.41 0.68 -3.75 0.00 8.25 -1.26 -4.75 115.22 108.98 1p2e n HIS 58 Ca 0.17 -0.27 -0.19 0.00 -0.26 0.00 0.00 57.72 57.18 1p2e n HIS 58 Cb 0.58 -0.15 -0.17 0.00 1.12 0.00 0.00 29.99 31.37 1p2e n HIS 58 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p2e s ALA 59 N -1.67 0.29 0.24 -1.41 0.00 -0.92 -4.41 121.76 113.88 1p2e s ALA 59 Ca 0.23 0.16 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 1p2e s ALA 59 Cb 0.15 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 1p2e s ALA 59 CO 0.11 -0.34 0.49 -1.54 0.00 0.00 0.00 175.76 174.47 1p2e s SER 60 N 1.74 -0.11 0.00 0.00 1.04 -1.26 -4.49 113.70 110.62 1p2e s SER 60 Ca -0.00 -0.87 0.17 0.00 0.48 0.00 0.00 55.95 55.72 1p2e s SER 60 Cb -0.12 0.59 0.70 0.00 0.10 0.00 0.00 66.02 67.29 1p2e s SER 60 CO -0.03 -1.14 1.50 0.00 0.98 0.00 0.00 173.24 174.54 1p2e n ALA 61 N -0.38 2.53 -1.67 5.32 0.00 -1.26 -4.91 120.51 120.14 1p2e n ALA 61 Ca -0.03 -0.40 -0.46 0.00 0.00 0.00 0.00 53.44 52.56 1p2e n ALA 61 Cb 0.62 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 1p2e n ALA 61 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1p2e n PHE 62 N 0.03 2.30 -1.70 0.00 3.01 -1.26 -4.92 117.46 114.91 1p2e n PHE 62 Ca 0.14 0.24 -0.29 0.00 1.01 0.00 0.00 57.45 58.54 1p2e n PHE 62 Cb 0.23 -2.56 0.09 0.00 -0.01 0.00 0.00 39.48 37.24 1p2e n PHE 62 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1p2e s PRO 63 N 1.11 1.96 0.00 -1.08 0.04 -1.26 -4.92 135.00 130.84 1p2e s PRO 63 Ca 0.79 0.38 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1p2e s PRO 63 Cb -0.67 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1p2e s PRO 63 CO 0.38 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 176.18 1p2e n GLY 64 N -2.60 -1.51 3.47 0.56 0.00 -1.26 -4.72 105.19 99.13 1p2e n GLY 64 Ca 0.07 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1p2e n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p2e s GLU 65 N -1.60 3.20 -0.29 1.61 8.01 -1.26 -5.01 118.70 123.35 1p2e s GLU 65 Ca 0.00 -0.66 -0.29 0.00 0.01 0.00 0.00 54.97 54.03 1p2e s GLU 65 Cb 0.00 -4.12 0.00 0.00 -4.31 0.00 0.00 34.13 25.70 1p2e s GLU 65 CO 0.00 -1.47 1.24 0.08 0.01 0.00 0.00 175.26 175.12 1p2e s VAL 66 N 3.44 4.25 0.37 2.63 1.01 -1.26 -5.00 120.40 125.84 1p2e s VAL 66 Ca 0.22 1.43 -0.27 0.00 0.00 0.00 0.00 61.98 63.36 1p2e s VAL 66 Cb -0.16 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 31.92 1p2e s VAL 66 CO 0.14 -0.43 1.26 0.00 0.00 0.00 0.00 175.10 176.07 1p2e s ALA 67 N 4.09 3.32 0.39 5.51 0.00 -1.26 -4.94 121.76 128.87 1p2e s ALA 67 Ca 0.53 1.16 0.06 0.00 0.00 0.00 0.00 51.96 53.72 1p2e s ALA 67 Cb -0.16 -3.45 0.80 0.00 0.00 0.00 0.00 23.12 20.31 1p2e s ALA 67 CO 0.20 -0.66 2.03 0.00 0.00 0.00 0.00 175.76 177.34 1p2e n THR 69 N -4.45 0.06 -0.17 0.00 -2.24 -1.26 -1.24 114.28 104.98 1p2e n THR 69 Ca 0.03 0.01 0.07 0.00 -2.27 0.00 0.00 64.05 61.90 1p2e n THR 69 Cb 0.08 -0.70 0.37 0.00 -2.10 0.00 0.00 70.33 67.98 1p2e n THR 69 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1p2e h SER 70 N 0.00 0.63 0.00 3.42 0.02 -1.35 -3.35 113.55 112.93 1p2e h SER 70 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1p2e h SER 70 Cb 0.02 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1p2e h SER 70 CO 0.00 0.40 -0.88 0.00 -1.14 0.00 0.00 176.83 175.21 1p2e s HIS 72 N -1.88 3.16 0.67 0.00 3.76 -0.37 -4.12 115.29 116.49 1p2e s HIS 72 Ca 0.00 -1.23 -0.11 0.00 -0.15 0.00 0.00 55.06 53.57 1p2e s HIS 72 Cb 0.00 -4.03 -0.01 0.00 1.11 0.00 0.00 32.58 29.65 1p2e s HIS 72 CO 0.00 -1.28 1.06 -1.12 -0.85 0.00 0.00 174.74 172.56 1p2e s SER 73 N 3.37 5.80 -0.19 1.40 0.01 -1.26 -4.29 113.70 118.54 1p2e s SER 73 Ca 0.16 1.31 -0.22 0.00 1.31 0.00 0.00 55.95 58.52 1p2e s SER 73 Cb -0.18 -2.24 -0.21 0.00 0.21 0.00 0.00 66.02 63.60 1p2e s SER 73 CO 0.01 -1.13 0.32 0.00 0.41 0.00 0.00 173.24 172.84 1p2e h ALA 74 N -0.51 0.23 -0.63 1.44 0.00 -1.96 -3.40 119.26 114.44 1p2e h ALA 74 Ca -0.44 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.35 1p2e h ALA 74 Cb 1.22 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1p2e h ALA 74 CO 0.62 0.64 0.00 0.72 0.00 0.00 0.00 179.25 181.23 1p2e n HIS 75 N -4.39 1.07 -3.70 0.00 8.25 -1.26 0.55 115.22 115.73 1p2e n HIS 75 Ca -0.29 -0.55 -0.10 0.00 -0.26 0.00 0.00 57.72 56.52 1p2e n HIS 75 Cb 0.68 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 31.65 1p2e n HIS 75 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1p2e s GLU 76 N -1.35 1.19 0.57 -0.41 -1.05 -1.26 -4.99 118.70 111.40 1p2e s GLU 76 Ca 0.45 -0.81 -0.17 0.00 -0.15 0.00 0.00 54.97 54.30 1p2e s GLU 76 Cb 0.26 0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 34.39 1p2e s GLU 76 CO 0.27 -0.48 1.06 0.15 0.95 0.00 0.00 175.26 177.21 1p2e s LYS 77 N -3.84 3.37 0.30 -4.83 1.02 -1.26 -4.42 119.74 110.06 1p2e s LYS 77 Ca 0.07 1.29 0.07 0.00 0.02 0.00 0.00 55.97 57.41 1p2e s LYS 77 Cb 0.01 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.26 1p2e s LYS 77 CO -0.08 -0.78 0.24 -1.13 -0.92 0.00 0.00 175.35 172.68 1p2e n SER 78 N -1.80 -0.49 -4.60 2.83 3.41 -0.91 -4.86 113.62 107.22 1p2e n SER 78 Ca 0.09 -2.92 -0.31 0.00 -0.26 0.00 0.00 58.87 55.48 1p2e n SER 78 Cb 0.53 1.43 -0.10 0.00 -0.26 0.00 0.00 64.21 65.80 1p2e n SER 78 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1p2e s MET 79 N -3.20 2.32 -0.18 4.33 -1.94 -1.26 -1.53 119.30 117.84 1p2e s MET 79 Ca 0.34 -0.91 -0.28 0.00 -1.71 0.00 0.00 55.69 53.13 1p2e s MET 79 Cb 0.02 -2.39 -0.00 0.00 2.01 0.00 0.00 34.83 34.46 1p2e s MET 79 CO 0.24 0.54 0.99 0.08 -0.01 0.00 0.00 175.02 176.86 1p2e s VAL 80 N -1.16 4.75 0.36 -6.03 1.01 -1.26 -4.52 120.40 113.56 1p2e s VAL 80 Ca 0.21 1.96 0.15 0.00 0.00 0.00 0.00 61.98 64.29 1p2e s VAL 80 Cb -0.11 -4.28 0.12 0.00 0.00 0.00 0.00 36.38 32.12 1p2e s VAL 80 CO 0.12 -0.08 1.86 0.22 0.00 0.00 0.00 175.10 177.22 1p2e h TYR 81 N 7.31 0.00 -0.21 5.22 5.03 -1.92 -2.44 116.97 129.96 1p2e h TYR 81 Ca -0.25 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.12 1p2e h TYR 81 Cb 1.10 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.38 1p2e h TYR 81 CO 0.73 0.33 0.16 0.00 -1.32 0.00 0.00 178.16 178.06 1p2e n ASP 83 N -4.34 0.00 -0.02 0.00 8.00 -0.92 -1.56 116.55 117.72 1p2e n ASP 83 Ca 0.02 0.02 0.15 0.00 0.71 0.00 0.00 54.79 55.69 1p2e n ASP 83 Cb 0.30 -0.25 0.70 0.00 -0.02 0.00 0.00 41.12 41.85 1p2e n ASP 83 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1p2e n SER 84 N -1.25 0.08 0.00 -2.24 3.41 -0.97 -4.32 113.62 108.32 1p2e n SER 84 Ca 0.07 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1p2e n SER 84 Cb 0.11 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1p2e n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p2e s HIS 86 N -1.03 2.03 -0.41 0.00 3.76 -0.60 -4.80 115.29 114.24 1p2e s HIS 86 Ca 0.00 -0.86 0.10 0.00 -0.15 0.00 0.00 55.06 54.15 1p2e s HIS 86 Cb 0.00 -1.70 0.42 0.00 1.11 0.00 0.00 32.58 32.41 1p2e s HIS 86 CO 0.00 0.20 1.01 0.43 -0.85 0.00 0.00 174.74 175.53 1p2e n SER 87 N -1.25 3.28 -4.17 1.40 7.64 -1.26 -4.13 113.62 115.13 1p2e n SER 87 Ca -0.13 -3.32 -0.29 0.00 1.01 0.00 0.00 58.87 56.13 1p2e n SER 87 Cb 0.67 -0.51 0.25 0.00 -1.01 0.00 0.00 64.21 63.60 1p2e n SER 87 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1p2e s PHE 88 N -3.30 0.90 -0.65 1.43 0.08 -1.26 -4.93 117.98 110.25 1p2e s PHE 88 Ca 0.41 0.86 -0.17 0.00 0.12 0.00 0.00 56.93 58.14 1p2e s PHE 88 Cb 0.40 -3.15 0.13 0.00 -0.57 0.00 0.00 43.02 39.84 1p2e s PHE 88 CO -0.10 -3.97 0.70 0.34 -0.10 0.00 0.00 175.22 172.09 1p2e s ASP 89 N -3.10 6.31 0.32 1.36 -1.08 -1.26 -5.03 116.67 114.19 1p2e s ASP 89 Ca 0.68 -1.77 0.09 0.00 -0.52 0.00 0.00 52.55 51.03 1p2e s ASP 89 Cb -0.18 -2.27 -0.05 0.00 -1.46 0.00 0.00 42.92 38.95 1p2e s ASP 89 CO 0.60 -0.96 0.01 -0.36 0.52 0.00 0.00 175.17 174.98 1p2e s PHE 90 N 2.02 2.57 -0.41 -5.34 0.08 -1.26 -5.06 117.98 110.58 1p2e s PHE 90 Ca 0.12 -0.39 0.09 0.00 0.12 0.00 0.00 56.93 56.87 1p2e s PHE 90 Cb -0.22 -1.43 0.28 0.00 -0.57 0.00 0.00 43.02 41.08 1p2e s PHE 90 CO 0.02 0.50 0.60 -1.71 -0.10 0.00 0.00 175.22 174.53 1p2e n ASN 91 N -0.95 0.75 -4.74 1.36 4.05 -1.26 -5.09 115.26 109.39 1p2e n ASN 91 Ca -0.04 -2.86 -0.41 0.00 0.45 0.00 0.00 54.58 51.72 1p2e n ASN 91 Cb 0.61 -0.63 -0.04 0.00 1.23 0.00 0.00 39.78 40.95 1p2e n ASN 91 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1p2e s MET 92 N -1.67 4.62 0.49 1.20 1.75 -1.26 -4.98 119.30 119.45 1p2e s MET 92 Ca 0.37 1.66 -0.24 0.00 -1.25 0.00 0.00 55.69 56.23 1p2e s MET 92 Cb 0.22 -3.30 -0.07 0.00 2.84 0.00 0.00 34.83 34.52 1p2e s MET 92 CO -0.10 0.12 1.42 -2.14 -0.65 0.00 0.00 175.02 173.67 1p2e s PRO 93 N -0.33 3.48 -2.19 4.11 0.02 -1.26 -2.28 135.00 136.55 1p2e s PRO 93 Ca 0.49 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.89 1p2e s PRO 93 Cb -0.28 -2.52 0.00 0.00 0.02 0.00 0.00 34.50 31.72 1p2e s PRO 93 CO 0.34 -0.97 0.00 0.66 -0.33 0.00 0.00 177.00 176.70 1p2e n TYR 94 N -0.49 -0.03 -0.62 6.54 4.01 -1.26 -4.91 117.16 120.39 1p2e n TYR 94 Ca 0.07 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.50 1p2e n TYR 94 Cb 0.43 -3.48 0.19 0.00 -0.31 0.00 0.00 39.34 36.17 1p2e n TYR 94 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1p2e n ALA 95 N 1.30 -1.81 -3.01 -0.72 0.00 -0.97 -2.13 120.51 113.16 1p2e n ALA 95 Ca -0.21 -0.80 -0.12 0.00 0.00 0.00 0.00 53.44 52.32 1p2e n ALA 95 Cb 0.68 -2.06 -0.08 0.00 0.00 0.00 0.00 19.45 17.99 1p2e n ALA 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1p2e s LYS 96 N -4.40 0.76 0.27 0.00 -2.85 -0.58 -4.69 119.74 108.25 1p2e s LYS 96 Ca 0.66 -0.48 -0.30 0.00 -1.00 0.00 0.00 55.97 54.85 1p2e s LYS 96 Cb -0.23 0.33 -0.10 0.00 -2.06 0.00 0.00 37.83 35.76 1p2e s LYS 96 CO 0.62 -0.24 1.45 0.21 0.10 0.00 0.00 175.35 177.49 1p2e s LYS 97 N -2.37 4.25 -0.09 1.78 2.20 -1.26 -4.25 119.74 120.00 1p2e s LYS 97 Ca -0.06 2.35 -0.38 0.00 -0.36 0.00 0.00 55.97 57.52 1p2e s LYS 97 Cb -0.02 -3.08 -0.15 0.00 -1.51 0.00 0.00 37.83 33.07 1p2e s LYS 97 CO -0.02 -0.43 1.62 1.87 -0.36 0.00 0.00 175.35 178.03 1p2e n TRP 98 N 2.01 1.94 -3.17 4.03 -0.00 -1.26 -4.90 117.44 116.08 1p2e n TRP 98 Ca 0.06 0.46 0.03 0.00 -0.00 0.00 0.00 57.50 58.05 1p2e n TRP 98 Cb 0.40 -2.46 -0.02 0.00 -0.00 0.00 0.00 31.31 29.24 1p2e n TRP 98 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 177.69 176.52 1p2e s LEU 99 N 2.38 -1.34 -0.32 5.87 0.20 -1.26 -5.05 118.68 119.15 1p2e s LEU 99 Ca 0.91 0.70 -0.24 0.00 0.69 0.00 0.00 54.13 56.19 1p2e s LEU 99 Cb -0.94 2.03 0.00 0.00 -0.43 0.00 0.00 46.19 46.86 1p2e s LEU 99 CO 0.55 -0.27 0.82 -0.60 -0.29 0.00 0.00 176.35 176.55 1p2e s ARG 100 N 2.82 3.92 -0.40 1.98 6.06 -1.26 -4.97 118.95 127.09 1p2e s ARG 100 Ca 0.18 0.57 0.01 0.00 -2.50 0.00 0.00 55.73 53.99 1p2e s ARG 100 Cb -0.14 -3.75 0.13 0.00 0.06 0.00 0.00 34.95 31.25 1p2e s ARG 100 CO -0.21 -0.75 0.20 0.34 -2.50 0.00 0.00 175.30 172.38 1p2e s ASP 101 N 1.68 3.68 -0.26 -2.12 2.15 -1.26 -5.09 116.67 115.45 1p2e s ASP 101 Ca 0.33 -2.37 -0.10 0.00 0.43 0.00 0.00 52.55 50.85 1p2e s ASP 101 Cb -0.14 -0.94 -0.04 0.00 -0.30 0.00 0.00 42.92 41.50 1p2e s ASP 101 CO 0.14 -0.30 0.14 -0.70 -0.17 0.00 0.00 175.17 174.28 1p2e s GLU 102 N 0.70 3.88 0.70 4.34 2.12 -1.26 -5.09 118.70 124.09 1p2e s GLU 102 Ca 0.16 -0.36 -0.16 0.00 0.36 0.00 0.00 54.97 54.97 1p2e s GLU 102 Cb -0.23 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 1p2e s GLU 102 CO -0.05 -0.12 0.60 -2.30 -0.54 0.00 0.00 175.26 172.86 1p2e n PRO 103 N 4.80 0.36 -1.84 4.30 -0.02 -1.26 -4.98 135.00 136.37 1p2e n PRO 103 Ca -0.15 0.16 -0.30 0.00 -2.02 0.00 0.00 63.50 61.20 1p2e n PRO 103 Cb 0.52 -1.88 0.06 0.00 -0.02 0.00 0.00 33.50 32.18 1p2e n PRO 103 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1p2e s THR 104 N -1.87 3.14 0.33 3.45 -4.23 -1.26 -4.89 115.64 110.31 1p2e s THR 104 Ca 0.67 0.37 0.01 0.00 -1.18 0.00 0.00 61.69 61.56 1p2e s THR 104 Cb -0.36 -3.33 0.27 0.00 1.34 0.00 0.00 72.50 70.42 1p2e s THR 104 CO 0.56 -0.48 1.99 0.40 -0.54 0.00 0.00 174.62 176.55 1p2e h ILE 105 N -0.80 1.16 -0.41 2.99 1.08 -1.94 -1.85 117.51 117.74 1p2e h ILE 105 Ca -0.46 -0.33 0.05 0.00 -0.39 0.00 0.00 64.86 63.74 1p2e h ILE 105 Cb 1.27 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 1p2e h ILE 105 CO 0.64 0.17 0.16 0.00 -0.69 0.00 0.00 178.15 178.43 1p2e h ALA 106 N 1.56 0.49 0.00 1.87 0.00 -1.98 -1.62 119.26 119.58 1p2e h ALA 106 Ca 0.27 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1p2e h ALA 106 Cb -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1p2e h ALA 106 CO -0.07 -0.23 -0.12 0.93 0.00 0.00 0.00 179.25 179.76 1p2e h GLU 107 N 0.33 0.00 0.00 0.00 5.08 -1.72 0.08 114.58 118.35 1p2e h GLU 107 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1p2e h GLU 107 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1p2e h GLU 107 CO -0.18 0.12 0.00 1.28 -1.00 0.00 0.00 179.01 179.23 1p2e n LEU 108 N -3.42 0.12 -0.28 1.33 4.77 -0.62 -2.68 117.00 116.22 1p2e n LEU 108 Ca -0.01 0.53 0.14 0.00 -0.03 0.00 0.00 56.01 56.64 1p2e n LEU 108 Cb 0.30 -0.52 0.40 0.00 -2.33 0.00 0.00 43.42 41.27 1p2e n LEU 108 CO 0.30 -0.32 1.22 0.00 -1.33 0.00 0.00 177.39 177.25 1p2e h ALA 109 N 2.43 1.89 -0.40 -1.18 0.00 -0.88 -2.26 119.26 118.86 1p2e h ALA 109 Ca 0.00 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1p2e h ALA 109 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1p2e h ALA 109 CO 0.00 -0.17 0.44 -0.22 0.00 0.00 0.00 179.25 179.29 1p2e h LYS 110 N 0.64 0.00 -2.17 0.00 1.63 -1.72 -3.09 116.57 111.87 1p2e h LYS 110 Ca 0.48 0.00 -0.45 0.00 -0.85 0.00 0.00 60.65 59.84 1p2e h LYS 110 Cb 0.87 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.38 1p2e h LYS 110 CO -0.24 0.00 0.71 -0.25 -3.45 0.00 0.00 179.45 176.22 1p2e n ASP 111 N -3.70 6.49 -0.33 4.20 8.00 -0.85 -4.65 116.55 125.70 1p2e n ASP 111 Ca 0.07 -2.91 -0.02 0.00 0.71 0.00 0.00 54.79 52.64 1p2e n ASP 111 Cb 0.61 -1.34 0.11 0.00 -0.02 0.00 0.00 41.12 40.47 1p2e n ASP 111 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1p2e h LYS 112 N 3.38 1.12 0.04 -1.24 1.57 -1.80 -1.36 116.57 118.28 1p2e h LYS 112 Ca 0.41 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.98 1p2e h LYS 112 Cb 0.88 -0.25 0.01 0.00 0.08 0.00 0.00 32.23 32.95 1p2e h LYS 112 CO 0.83 0.74 -0.57 1.03 -0.57 0.00 0.00 179.45 180.91 1p2e h SER 113 N 1.15 0.44 -0.67 0.86 0.87 -1.92 -2.34 113.55 111.95 1p2e h SER 113 Ca 0.34 -0.82 -0.08 0.00 -1.23 0.00 0.00 61.79 60.00 1p2e h SER 113 Cb -0.05 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 1p2e h SER 113 CO -0.10 1.21 0.11 -0.33 -0.53 0.00 0.00 176.83 177.19 1p2e h GLU 114 N -0.28 1.11 0.63 2.24 5.08 -1.91 -2.35 114.58 119.11 1p2e h GLU 114 Ca -0.08 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 1p2e h GLU 114 Cb 1.33 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1p2e h GLU 114 CO 0.11 1.02 -0.47 0.00 -1.00 0.00 0.00 179.01 178.67 1p2e h ARG 115 N 1.04 -1.02 -0.66 2.33 3.08 -1.30 -0.71 114.38 117.13 1p2e h ARG 115 Ca 0.20 0.07 0.12 0.00 0.07 0.00 0.00 59.98 60.45 1p2e h ARG 115 Cb 0.44 0.23 -0.13 0.00 0.08 0.00 0.00 29.97 30.60 1p2e h ARG 115 CO 0.01 -0.68 -0.29 1.96 -1.07 0.00 0.00 179.97 179.91 1p2e h GLN 116 N -1.06 -0.10 -0.58 0.04 4.20 -1.46 0.25 115.11 116.40 1p2e h GLN 116 Ca -0.08 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.71 1p2e h GLN 116 Cb 0.88 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.62 1p2e h GLN 116 CO 0.03 -0.06 0.26 0.00 -0.67 0.00 0.00 178.83 178.39 1p2e h ALA 117 N 1.26 0.75 -0.46 3.87 0.00 -1.27 0.03 119.26 123.44 1p2e h ALA 117 Ca 0.28 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1p2e h ALA 117 Cb 0.55 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1p2e h ALA 117 CO -0.72 -0.11 0.06 0.00 0.00 0.00 0.00 179.25 178.47 1p2e h ALA 118 N 1.35 0.61 0.00 0.00 0.00 0.76 -2.07 119.26 119.91 1p2e h ALA 118 Ca 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1p2e h ALA 118 Cb 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1p2e h ALA 118 CO -0.22 0.36 0.00 -0.07 0.00 0.00 0.00 179.25 179.31 1p2e h LEU 119 N 0.64 0.00 0.00 0.00 3.38 0.10 -2.47 115.31 116.96 1p2e h LEU 119 Ca 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1p2e h LEU 119 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1p2e h LEU 119 CO 0.01 0.00 -0.67 0.00 0.09 0.00 0.00 178.44 177.87 1p2e h ALA 120 N 2.03 0.70 -2.41 1.53 0.00 -0.77 -3.46 119.26 116.89 1p2e h ALA 120 Ca 0.00 -0.19 -0.48 0.00 0.00 0.00 0.00 54.91 54.24 1p2e h ALA 120 Cb 0.53 0.03 0.13 0.00 0.00 0.00 0.00 17.79 18.48 1p2e h ALA 120 CO 0.00 0.23 0.30 -1.12 0.00 0.00 0.00 179.25 178.65 1p2e s SER 121 N -5.85 3.86 0.81 0.00 0.01 -0.80 -5.02 113.70 106.72 1p2e s SER 121 Ca 0.02 1.24 -0.14 0.00 1.31 0.00 0.00 55.95 58.39 1p2e s SER 121 Cb 0.08 -1.92 0.05 0.00 0.21 0.00 0.00 66.02 64.44 1p2e s SER 121 CO 0.75 -2.36 0.94 0.00 0.41 0.00 0.00 173.24 172.98 1p2e n ALA 122 N -3.68 -0.72 -1.75 1.44 0.00 -1.26 -4.92 120.51 109.62 1p2e n ALA 122 Ca 0.07 -0.35 -0.37 0.00 0.00 0.00 0.00 53.44 52.78 1p2e n ALA 122 Cb 0.57 -2.10 0.04 0.00 0.00 0.00 0.00 19.45 17.96 1p2e n ALA 122 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1p2e s PRO 123 N -3.76 2.97 0.20 0.00 0.04 -1.26 -4.83 135.00 128.36 1p2e s PRO 123 Ca 0.69 1.99 0.08 0.00 0.04 0.00 0.00 61.00 63.81 1p2e s PRO 123 Cb -0.29 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.32 1p2e s PRO 123 CO 0.55 -1.25 1.46 1.25 0.04 0.00 0.00 177.00 179.05 1p2e h HIS 124 N 1.04 0.03 -3.39 0.56 2.76 -1.20 -3.46 115.15 111.50 1p2e h HIS 124 Ca -0.51 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 57.56 1p2e h HIS 124 Cb 1.30 -0.00 -0.16 0.00 1.55 0.00 0.00 27.41 30.11 1p2e h HIS 124 CO 0.46 0.80 -0.23 -0.51 -1.30 0.00 0.00 177.93 177.15 1p2e s ASP 125 N -6.80 -0.11 -0.17 3.26 1.11 -1.25 -5.06 116.67 107.65 1p2e s ASP 125 Ca -0.01 -0.28 -0.01 0.00 0.18 0.00 0.00 52.55 52.43 1p2e s ASP 125 Cb 0.11 0.38 0.05 0.00 1.07 0.00 0.00 42.92 44.53 1p2e s ASP 125 CO 0.79 -0.68 -0.02 -0.89 1.18 0.00 0.00 175.17 175.55 1p2e s THR 126 N -2.99 0.91 0.15 -1.27 2.01 -1.26 -0.45 115.64 112.74 1p2e s THR 126 Ca -0.02 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.42 1p2e s THR 126 Cb 0.01 -1.18 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 1p2e s THR 126 CO -0.06 0.03 0.08 1.33 -0.69 0.00 0.00 174.62 175.31 1p2e n VAL 127 N 4.93 0.00 -0.05 3.82 0.24 -0.66 -4.97 118.33 121.63 1p2e n VAL 127 Ca -0.11 -0.98 -0.21 0.00 -2.04 0.00 0.00 64.34 61.00 1p2e n VAL 127 Cb 0.47 0.41 -0.13 0.00 -1.47 0.00 0.00 33.84 33.13 1p2e n VAL 127 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1p2e h ASP 128 N 0.74 0.17 -3.78 -1.34 3.32 -1.51 -3.35 116.42 110.66 1p2e h ASP 128 Ca -0.12 -0.73 -0.34 0.00 0.02 0.00 0.00 57.03 55.86 1p2e h ASP 128 Cb 0.49 -0.06 -0.30 0.00 0.22 0.00 0.00 39.33 39.69 1p2e h ASP 128 CO 0.18 1.52 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.77 1p2e s VAL 129 N -2.40 0.40 -0.17 -1.35 1.01 -0.00 -2.13 120.40 115.75 1p2e s VAL 129 Ca -0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1p2e s VAL 129 Cb 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 1p2e s VAL 129 CO 0.68 0.14 -0.04 -0.69 0.00 0.00 0.00 175.10 175.19 1p2e s VAL 130 N 0.20 3.76 -0.19 2.92 1.01 -0.42 -1.82 120.40 125.87 1p2e s VAL 130 Ca -0.02 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 1p2e s VAL 130 Cb -0.06 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1p2e s VAL 130 CO -0.00 0.47 0.03 -0.69 0.00 0.00 0.00 175.10 174.91 1p2e s VAL 131 N 0.68 4.41 -0.37 2.92 1.01 0.97 -1.80 120.40 128.22 1p2e s VAL 131 Ca -0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1p2e s VAL 131 Cb -0.14 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.28 1p2e s VAL 131 CO 0.02 0.44 0.19 -0.69 0.00 0.00 0.00 175.10 175.07 1p2e s VAL 132 N 0.66 4.46 0.00 2.92 1.01 0.18 0.18 120.40 129.82 1p2e s VAL 132 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1p2e s VAL 132 Cb -0.14 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1p2e s VAL 132 CO 0.02 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.50 1p2e n GLY 133 N 4.97 3.22 2.34 4.51 0.00 0.33 -0.61 105.19 119.96 1p2e n GLY 133 Ca -0.12 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 1p2e n GLY 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p2e n SER 134 N 0.00 7.41 -2.32 1.61 3.41 -1.24 -3.92 113.62 118.57 1p2e n SER 134 Ca 0.00 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.82 1p2e n SER 134 Cb 0.00 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 1p2e n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p2e n GLY 135 N -0.87 0.35 0.17 5.00 0.00 -1.26 -1.20 105.19 107.38 1p2e n GLY 135 Ca 0.60 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 1p2e n GLY 135 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1p2e h GLY 136 N 0.00 0.55 1.28 -0.02 0.00 -1.93 -2.59 103.07 100.36 1p2e h GLY 136 Ca 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 1p2e h GLY 136 CO 0.00 0.26 -0.27 0.00 0.00 0.00 0.00 176.54 176.53 1p2e h ALA 137 N 1.02 0.79 0.06 3.60 0.00 -1.88 -2.39 119.26 120.45 1p2e h ALA 137 Ca 0.12 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1p2e h ALA 137 Cb 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1p2e h ALA 137 CO -0.01 0.65 -0.03 0.78 0.00 0.00 0.00 179.25 180.64 1p2e h GLY 138 N 0.93 -0.08 1.04 0.00 0.00 -1.65 -2.28 103.07 101.03 1p2e h GLY 138 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1p2e h GLY 138 CO 0.07 -0.03 0.60 0.74 0.00 0.00 0.00 176.54 177.92 1p2e h PHE 139 N -0.57 1.23 -0.45 5.60 0.04 -1.53 -1.67 116.94 119.60 1p2e h PHE 139 Ca -0.01 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1p2e h PHE 139 Cb 0.50 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 1p2e h PHE 139 CO 0.09 0.80 0.24 0.77 -0.60 0.00 0.00 178.31 179.61 1p2e h SER 140 N 1.31 0.57 -0.32 2.17 0.02 -1.43 -1.08 113.55 114.78 1p2e h SER 140 Ca 0.34 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1p2e h SER 140 Cb -0.10 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1p2e h SER 140 CO -0.07 0.51 -0.05 0.00 -1.14 0.00 0.00 176.83 176.08 1p2e h ALA 141 N 1.09 0.44 -0.30 3.77 0.00 -1.29 -1.45 119.26 121.52 1p2e h ALA 141 Ca 0.16 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1p2e h ALA 141 Cb 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1p2e h ALA 141 CO -0.02 0.24 0.06 0.00 0.00 0.00 0.00 179.25 179.53 1p2e h ALA 142 N 0.82 0.32 -0.46 0.00 0.00 -1.11 -0.94 119.26 117.89 1p2e h ALA 142 Ca 0.09 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1p2e h ALA 142 Cb 0.52 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1p2e h ALA 142 CO 0.03 -0.35 -0.03 0.82 0.00 0.00 0.00 179.25 179.72 1p2e h ILE 143 N 0.17 1.27 0.00 0.00 2.04 -1.17 -1.35 117.51 118.47 1p2e h ILE 143 Ca 0.14 -1.10 -0.11 0.00 1.00 0.00 0.00 64.86 64.79 1p2e h ILE 143 Cb 0.15 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1p2e h ILE 143 CO -0.18 0.38 -0.54 0.77 0.00 0.00 0.00 178.15 178.58 1p2e h SER 144 N 0.67 0.00 -0.13 1.72 4.64 -1.08 0.31 113.55 119.69 1p2e h SER 144 Ca 0.13 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.28 1p2e h SER 144 Cb 0.54 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1p2e h SER 144 CO 0.03 0.54 -0.57 0.00 -0.87 0.00 0.00 176.83 175.95 1p2e h ALA 145 N 1.46 0.24 -0.70 5.18 0.00 -1.17 -1.88 119.26 122.40 1p2e h ALA 145 Ca -0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 1p2e h ALA 145 Cb 1.27 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1p2e h ALA 145 CO 0.07 0.47 0.25 1.15 0.00 0.00 0.00 179.25 181.19 1p2e h THR 146 N 0.26 1.25 0.00 0.00 2.02 -0.97 -1.33 112.91 114.14 1p2e h THR 146 Ca -0.04 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1p2e h THR 146 Cb 1.21 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1p2e h THR 146 CO 0.12 0.33 0.00 0.47 0.37 0.00 0.00 175.52 176.81 1p2e n ASP 147 N -4.33 0.00 -1.33 4.18 8.00 0.11 -1.95 116.55 121.23 1p2e n ASP 147 Ca 0.05 -0.46 0.10 0.00 0.71 0.00 0.00 54.79 55.19 1p2e n ASP 147 Cb 0.20 -0.12 0.31 0.00 -0.02 0.00 0.00 41.12 41.50 1p2e n ASP 147 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1p2e n SER 148 N -1.12 4.16 0.00 -2.24 7.64 -0.57 -4.96 113.62 116.53 1p2e n SER 148 Ca 0.15 -2.25 0.00 0.00 1.01 0.00 0.00 58.87 57.78 1p2e n SER 148 Cb 0.12 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1p2e n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p2e n GLY 149 N 1.14 0.53 3.84 0.23 0.00 -0.82 -4.83 105.19 105.28 1p2e n GLY 149 Ca 0.23 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1p2e n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2e s ALA 150 N -2.00 3.77 -0.10 4.61 0.00 -0.78 -5.03 121.76 122.23 1p2e s ALA 150 Ca 0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 51.96 50.98 1p2e s ALA 150 Cb 0.00 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 1p2e s ALA 150 CO 0.00 0.67 0.69 0.21 0.00 0.00 0.00 175.76 177.33 1p2e s LYS 151 N -1.46 4.38 0.08 0.00 2.47 -1.26 -3.92 119.74 120.03 1p2e s LYS 151 Ca 0.20 0.83 0.09 0.00 -1.56 0.00 0.00 55.97 55.53 1p2e s LYS 151 Cb -0.12 -3.48 -0.03 0.00 -1.46 0.00 0.00 37.83 32.74 1p2e s LYS 151 CO 0.11 -0.02 -0.24 0.08 0.16 0.00 0.00 175.35 175.44 1p2e s VAL 152 N 1.10 1.94 -0.15 4.02 1.01 -1.26 -0.82 120.40 126.24 1p2e s VAL 152 Ca 0.36 -1.47 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1p2e s VAL 152 Cb -0.17 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1p2e s VAL 152 CO 0.16 0.15 -0.18 -0.63 0.00 0.00 0.00 175.10 174.60 1p2e s ILE 153 N -0.96 2.45 -0.21 2.22 1.01 -0.75 -4.03 121.20 120.93 1p2e s ILE 153 Ca 0.10 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 1p2e s ILE 153 Cb -0.10 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 1p2e s ILE 153 CO 0.04 0.53 -0.00 -0.22 0.00 0.00 0.00 174.94 175.28 1p2e s LEU 154 N 0.84 3.18 0.05 2.97 2.96 0.08 -0.02 118.68 128.75 1p2e s LEU 154 Ca -0.05 -0.25 0.09 0.00 -0.22 0.00 0.00 54.13 53.70 1p2e s LEU 154 Cb -0.15 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 1p2e s LEU 154 CO -0.01 0.03 -0.26 0.27 -1.32 0.00 0.00 176.35 175.06 1p2e s ILE 155 N 1.20 2.20 -0.07 6.68 -4.36 0.13 -0.79 121.20 126.18 1p2e s ILE 155 Ca 0.03 -1.42 0.00 0.00 -0.26 0.00 0.00 60.65 59.00 1p2e s ILE 155 Cb -0.15 -1.87 0.02 0.00 1.25 0.00 0.00 42.46 41.71 1p2e s ILE 155 CO 0.01 0.33 -0.05 -0.70 0.24 0.00 0.00 174.94 174.77 1p2e s GLU 156 N -1.35 1.09 0.20 0.37 2.56 -0.40 -0.51 118.70 120.66 1p2e s GLU 156 Ca 0.12 -0.13 0.10 0.00 0.00 0.00 0.00 54.97 55.06 1p2e s GLU 156 Cb -0.10 -1.16 0.08 0.00 2.00 0.00 0.00 34.13 34.94 1p2e s GLU 156 CO 0.03 -0.18 1.44 1.57 -0.56 0.00 0.00 175.26 177.57 1p2e h LYS 157 N 7.74 0.00 -7.41 4.30 2.10 -1.85 -0.76 116.57 120.68 1p2e h LYS 157 Ca -0.30 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 57.89 1p2e h LYS 157 Cb 1.14 0.00 0.15 0.00 -0.90 0.00 0.00 32.23 32.62 1p2e h LYS 157 CO 0.40 0.78 0.24 -1.21 -2.00 0.00 0.00 179.45 177.66 1p2e s GLU 158 N -3.12 0.81 0.13 0.07 0.41 -1.26 -4.07 118.70 111.67 1p2e s GLU 158 Ca 0.00 0.45 0.26 0.00 -0.41 0.00 0.00 54.97 55.27 1p2e s GLU 158 Cb 0.11 -1.79 0.66 0.00 -1.78 0.00 0.00 34.13 31.33 1p2e s GLU 158 CO 0.78 -2.46 1.59 -0.35 -0.49 0.00 0.00 175.26 174.34 1p2e n PRO 159 N -3.98 0.22 -4.41 0.39 -0.04 -1.26 -2.85 135.00 123.07 1p2e n PRO 159 Ca 0.06 0.12 -0.27 0.00 -0.04 0.00 0.00 63.50 63.37 1p2e n PRO 159 Cb 0.58 -1.70 -0.12 0.00 -0.04 0.00 0.00 33.50 32.22 1p2e n PRO 159 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1p2e s VAL 160 N -3.11 2.31 0.82 0.52 -7.23 -1.26 -4.64 120.40 107.82 1p2e s VAL 160 Ca 0.09 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.19 1p2e s VAL 160 Cb 0.14 -2.08 0.12 0.00 0.56 0.00 0.00 36.38 35.11 1p2e s VAL 160 CO 0.64 -0.08 1.16 0.27 -0.31 0.00 0.00 175.10 176.79 1p2e s ILE 161 N -1.54 2.09 0.00 -0.62 -4.36 -1.26 -4.67 121.20 110.83 1p2e s ILE 161 Ca 0.19 -0.13 0.00 0.00 -0.26 0.00 0.00 60.65 60.45 1p2e s ILE 161 Cb -0.08 -2.96 0.00 0.00 1.25 0.00 0.00 42.46 40.67 1p2e s ILE 161 CO 0.09 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.88 1p2e n GLY 162 N -3.31 3.27 7.00 6.27 0.00 -0.34 -4.88 105.19 113.20 1p2e n GLY 162 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1p2e n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2e n GLY 163 N -1.77 2.12 0.02 -0.02 0.00 -1.26 -1.66 105.19 102.62 1p2e n GLY 163 Ca 0.00 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 45.77 1p2e n GLY 163 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p2e n ASN 164 N -0.67 0.40 0.20 1.61 3.02 -1.26 -3.96 115.26 114.61 1p2e n ASN 164 Ca 0.00 0.18 0.06 0.00 -0.03 0.00 0.00 54.58 54.79 1p2e n ASN 164 Cb 0.00 -0.15 0.41 0.00 -0.61 0.00 0.00 39.78 39.43 1p2e n ASN 164 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p2e h ALA 165 N 2.85 1.16 0.00 5.41 0.00 -1.71 -1.61 119.26 125.36 1p2e h ALA 165 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1p2e h ALA 165 Cb 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1p2e h ALA 165 CO 0.00 0.42 0.00 0.36 0.00 0.00 0.00 179.25 180.03 1p2e n LYS 166 N -3.72 0.03 0.00 0.00 2.85 -0.96 -1.91 118.16 114.45 1p2e n LYS 166 Ca -0.01 0.29 0.11 0.00 -1.05 0.00 0.00 58.31 57.65 1p2e n LYS 166 Cb 0.43 -1.56 0.04 0.00 -0.65 0.00 0.00 35.03 33.29 1p2e n LYS 166 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1p2e n LEU 167 N -1.61 2.34 -4.73 -5.58 4.77 -0.60 -2.73 117.00 108.87 1p2e n LEU 167 Ca 0.03 -0.86 -0.42 0.00 -0.03 0.00 0.00 56.01 54.74 1p2e n LEU 167 Cb 0.17 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1p2e n LEU 167 CO 0.14 0.42 1.23 0.00 -1.33 0.00 0.00 177.39 177.84 1p2e s ALA 168 N -2.19 3.78 -0.02 -1.18 0.00 -0.80 -4.85 121.76 116.50 1p2e s ALA 168 Ca 0.21 1.42 -0.04 0.00 0.00 0.00 0.00 51.96 53.55 1p2e s ALA 168 Cb 0.18 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1p2e s ALA 168 CO 0.44 -0.81 -0.07 0.00 0.00 0.00 0.00 175.76 175.31 1p2e n ALA 169 N 3.54 1.56 -0.35 0.00 0.00 -1.26 0.34 120.51 124.34 1p2e n ALA 169 Ca 0.12 -0.25 0.02 0.00 0.00 0.00 0.00 53.44 53.33 1p2e n ALA 169 Cb 0.38 0.05 0.08 0.00 0.00 0.00 0.00 19.45 19.96 1p2e n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p2e n GLY 170 N 2.41 -1.78 0.00 0.00 0.00 -1.26 -1.59 105.19 102.97 1p2e n GLY 170 Ca -0.03 1.03 0.00 0.00 0.00 0.00 0.00 46.02 47.03 1p2e n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2e n GLY 171 N -1.51 2.58 3.27 -0.02 0.00 -1.26 -4.75 105.19 103.50 1p2e n GLY 171 Ca 0.12 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 1p2e n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1p2e s MET 172 N -1.95 3.13 0.28 1.61 1.75 0.32 -4.19 119.30 120.24 1p2e s MET 172 Ca 0.00 -0.79 -0.29 0.00 -1.25 0.00 0.00 55.69 53.35 1p2e s MET 172 Cb 0.00 -3.04 -0.10 0.00 2.84 0.00 0.00 34.83 34.53 1p2e s MET 172 CO 0.00 -0.31 1.34 -0.80 -0.65 0.00 0.00 175.02 174.60 1p2e s ASN 173 N 1.42 6.79 0.13 1.11 0.01 0.97 -1.76 114.94 123.60 1p2e s ASN 173 Ca 0.03 2.60 -0.19 0.00 -0.71 0.00 0.00 52.86 54.60 1p2e s ASN 173 Cb -0.15 -2.63 0.05 0.00 0.41 0.00 0.00 41.25 38.92 1p2e s ASN 173 CO -0.03 -0.56 0.47 0.00 -1.51 0.00 0.00 177.10 175.46 1p2e s ALA 174 N -0.55 -1.17 -0.06 0.60 0.00 -1.00 -4.61 121.76 114.97 1p2e s ALA 174 Ca 0.53 0.17 -0.17 0.00 0.00 0.00 0.00 51.96 52.49 1p2e s ALA 174 Cb -0.39 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.49 1p2e s ALA 174 CO 0.47 -0.67 0.40 0.00 0.00 0.00 0.00 175.76 175.96 1p2e s ALA 175 N -3.67 -1.02 0.00 0.00 0.00 -1.26 -4.72 121.76 111.09 1p2e s ALA 175 Ca 0.02 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1p2e s ALA 175 Cb 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1p2e s ALA 175 CO -0.11 -0.26 0.00 1.87 0.00 0.00 0.00 175.76 177.25 1p2e n TRP 176 N 1.66 0.00 -1.97 0.00 -0.00 -1.26 -3.99 117.44 111.88 1p2e n TRP 176 Ca -0.19 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.02 1p2e n TRP 176 Cb 0.56 0.00 0.04 0.00 -0.00 0.00 0.00 31.31 31.92 1p2e n TRP 176 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1p2e s THR 177 N -0.93 3.53 0.36 5.87 -4.23 -1.26 -4.96 115.64 114.01 1p2e s THR 177 Ca 0.00 0.40 0.11 0.00 -1.18 0.00 0.00 61.69 61.02 1p2e s THR 177 Cb 0.00 -3.48 0.09 0.00 1.34 0.00 0.00 72.50 70.45 1p2e s THR 177 CO 0.00 -0.61 1.81 0.44 -0.54 0.00 0.00 174.62 175.73 1p2e h ASP 178 N -0.57 0.08 -0.26 3.99 3.32 -1.99 -2.08 116.42 118.91 1p2e h ASP 178 Ca -0.45 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 1p2e h ASP 178 Cb 1.25 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1p2e h ASP 178 CO 0.63 0.42 0.05 1.56 -1.72 0.00 0.00 179.24 180.19 1p2e h GLN 179 N 0.07 0.42 -0.90 3.56 7.50 -1.93 -1.85 115.11 121.98 1p2e h GLN 179 Ca 0.01 -0.11 0.01 0.00 0.50 0.00 0.00 58.65 59.06 1p2e h GLN 179 Cb 0.65 -0.05 -0.04 0.00 0.05 0.00 0.00 27.48 28.08 1p2e h GLN 179 CO 0.05 0.53 0.60 1.96 -1.50 0.00 0.00 178.83 180.47 1p2e h GLN 180 N 0.25 1.19 -0.37 1.46 4.20 -1.83 -2.58 115.11 117.43 1p2e h GLN 180 Ca 0.08 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 1p2e h GLN 180 Cb 0.30 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1p2e h GLN 180 CO 0.00 0.79 -0.14 0.87 -0.67 0.00 0.00 178.83 179.68 1p2e h LYS 181 N 1.22 0.67 0.00 1.46 1.57 -1.26 0.49 116.57 120.72 1p2e h LYS 181 Ca 0.33 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1p2e h LYS 181 Cb -0.14 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1p2e h LYS 181 CO -0.07 0.78 0.00 0.00 -0.57 0.00 0.00 179.45 179.59 1p2e n ALA 182 N -2.49 1.98 -0.55 3.86 0.00 -0.71 -0.43 120.51 122.18 1p2e n ALA 182 Ca 0.01 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.51 1p2e n ALA 182 Cb 0.36 -1.39 0.28 0.00 0.00 0.00 0.00 19.45 18.70 1p2e n ALA 182 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p2e n LYS 183 N -1.86 3.26 -3.27 0.00 4.01 0.09 -4.91 118.16 115.48 1p2e n LYS 183 Ca 0.05 -2.62 -0.24 0.00 -0.51 0.00 0.00 58.31 54.99 1p2e n LYS 183 Cb 0.29 -1.68 0.04 0.00 -0.51 0.00 0.00 35.03 33.18 1p2e n LYS 183 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1p2e n LYS 184 N 0.67 -5.58 -3.80 1.97 4.76 0.42 -4.97 118.16 111.63 1p2e n LYS 184 Ca 0.21 0.83 -0.35 0.00 -2.87 0.00 0.00 58.31 56.12 1p2e n LYS 184 Cb 0.74 -5.73 -0.05 0.00 -1.84 0.00 0.00 35.03 28.14 1p2e n LYS 184 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1p2e s ILE 185 N -3.20 5.37 -0.17 -0.18 1.01 0.15 -4.99 121.20 119.19 1p2e s ILE 185 Ca 0.41 0.17 0.01 0.00 0.00 0.00 0.00 60.65 61.24 1p2e s ILE 185 Cb -0.19 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.77 1p2e s ILE 185 CO 0.51 0.45 -0.18 -0.89 0.00 0.00 0.00 174.94 174.82 1p2e s THR 186 N -1.21 2.26 0.04 2.92 2.01 -1.26 -3.90 115.64 116.50 1p2e s THR 186 Ca 0.24 -0.89 -0.00 0.00 0.31 0.00 0.00 61.69 61.35 1p2e s THR 186 Cb -0.13 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.43 1p2e s THR 186 CO 0.13 0.53 0.05 -0.67 -0.69 0.00 0.00 174.62 173.97 1p2e n ASP 187 N 4.45 -0.15 -3.63 3.53 -0.08 -1.26 -4.93 116.55 114.48 1p2e n ASP 187 Ca -0.20 -1.21 -0.10 0.00 -1.51 0.00 0.00 54.79 51.77 1p2e n ASP 187 Cb 0.51 0.28 -0.02 0.00 2.34 0.00 0.00 41.12 44.23 1p2e n ASP 187 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1p2e s SER 188 N -1.24 -0.42 0.40 1.67 1.04 -1.26 -4.62 113.70 109.27 1p2e s SER 188 Ca 0.03 -0.30 0.15 0.00 0.48 0.00 0.00 55.95 56.32 1p2e s SER 188 Cb -0.00 0.66 0.85 0.00 0.10 0.00 0.00 66.02 67.63 1p2e s SER 188 CO 0.02 -1.15 1.87 -0.65 0.98 0.00 0.00 173.24 174.31 1p2e h PRO 189 N 2.00 0.00 -0.48 4.02 0.11 -1.88 -2.16 132.00 133.60 1p2e h PRO 189 Ca -0.27 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.75 1p2e h PRO 189 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1p2e h PRO 189 CO 0.31 0.31 -0.09 0.93 -0.21 0.00 0.00 178.00 179.25 1p2e h GLU 190 N 0.00 0.87 -0.28 1.05 3.07 -1.94 0.15 114.58 117.50 1p2e h GLU 190 Ca -0.00 -0.29 -0.07 0.00 -0.50 0.00 0.00 59.36 58.49 1p2e h GLU 190 Cb 0.59 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 1p2e h GLU 190 CO 0.04 0.93 -0.09 1.25 -1.40 0.00 0.00 179.01 179.74 1p2e h LEU 191 N 0.79 0.57 -0.17 1.33 5.85 -1.78 -1.37 115.31 120.53 1p2e h LEU 191 Ca 0.13 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1p2e h LEU 191 Cb 0.60 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1p2e h LEU 191 CO 0.04 0.82 0.08 -0.03 -0.34 0.00 0.00 178.44 179.01 1p2e h MET 192 N 0.31 0.17 -0.27 1.25 4.05 -1.40 1.04 114.93 120.07 1p2e h MET 192 Ca 0.07 -0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.54 1p2e h MET 192 Cb 0.58 -0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 31.27 1p2e h MET 192 CO 0.03 0.11 -0.20 0.35 0.23 0.00 0.00 176.91 177.43 1p2e h PHE 193 N 0.17 -0.52 -0.68 1.39 3.04 -0.65 0.11 116.94 119.80 1p2e h PHE 193 Ca 0.07 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 1p2e h PHE 193 Cb 0.02 0.27 -0.03 0.00 2.56 0.00 0.00 35.95 38.77 1p2e h PHE 193 CO -0.10 -0.28 0.38 0.93 -2.02 0.00 0.00 178.31 177.23 1p2e h GLU 194 N -0.19 0.94 -0.43 1.11 4.39 -0.66 0.50 114.58 120.25 1p2e h GLU 194 Ca 0.15 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 1p2e h GLU 194 Cb 0.41 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1p2e h GLU 194 CO -0.38 0.70 -0.02 -0.44 -1.16 0.00 0.00 179.01 177.70 1p2e h ASP 195 N 0.93 0.68 0.47 1.42 3.32 0.22 -2.64 116.42 120.82 1p2e h ASP 195 Ca 0.24 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1p2e h ASP 195 Cb 0.02 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1p2e h ASP 195 CO -0.04 0.76 -0.22 0.74 -1.72 0.00 0.00 179.24 178.76 1p2e h THR 196 N 0.66 0.48 -0.23 0.35 2.02 -0.05 0.18 112.91 116.32 1p2e h THR 196 Ca 0.13 -0.36 0.06 0.00 0.77 0.00 0.00 66.41 67.01 1p2e h THR 196 Cb 0.44 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.42 1p2e h THR 196 CO 0.02 0.06 -0.17 0.24 0.37 0.00 0.00 175.52 176.04 1p2e h MET 197 N -0.86 -0.16 -0.32 6.66 2.86 -0.96 0.33 114.93 122.48 1p2e h MET 197 Ca -0.06 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1p2e h MET 197 Cb 0.57 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1p2e h MET 197 CO 0.11 -0.11 0.17 -0.22 1.06 0.00 0.00 176.91 177.92 1p2e h LYS 198 N -0.17 0.34 -0.50 1.72 3.64 -1.47 0.20 116.57 120.34 1p2e h LYS 198 Ca 0.13 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.56 1p2e h LYS 198 Cb 0.37 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 1p2e h LYS 198 CO -0.33 0.22 0.17 0.78 -2.27 0.00 0.00 179.45 178.01 1p2e h GLY 199 N 0.35 0.66 -0.94 5.01 0.00 0.15 -1.66 103.07 106.63 1p2e h GLY 199 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1p2e h GLY 199 CO -0.08 -0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.06 1p2e n GLY 200 N -1.27 0.22 2.15 4.60 0.00 0.11 -4.41 105.19 106.60 1p2e n GLY 200 Ca 0.05 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1p2e n GLY 200 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p2e n GLN 201 N 0.21 -0.59 -1.21 1.61 6.02 -0.34 -1.87 117.38 121.22 1p2e n GLN 201 Ca 0.08 0.41 -0.07 0.00 -0.01 0.00 0.00 57.00 57.42 1p2e n GLN 201 Cb 0.22 -4.32 -0.03 0.00 1.02 0.00 0.00 30.24 27.13 1p2e n GLN 201 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1p2e n ASN 202 N 0.59 -5.60 0.07 1.08 3.02 0.57 -4.82 115.26 110.17 1p2e n ASN 202 Ca -0.09 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1p2e n ASN 202 Cb 0.53 -3.73 -0.05 0.00 -0.61 0.00 0.00 39.78 35.93 1p2e n ASN 202 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1p2e h ILE 203 N 0.00 0.72 -3.50 2.41 1.08 -1.79 -3.48 117.51 112.94 1p2e h ILE 203 Ca -0.15 -2.18 -0.57 0.00 -0.39 0.00 0.00 64.86 61.58 1p2e h ILE 203 Cb 1.05 2.24 0.17 0.00 -3.07 0.00 0.00 36.82 37.20 1p2e h ILE 203 CO 0.21 0.41 -0.03 0.59 -0.69 0.00 0.00 178.15 178.64 1p2e n ASN 204 N -3.05 0.14 -4.64 1.72 5.03 -1.26 -4.77 115.26 108.43 1p2e n ASN 204 Ca -0.05 0.72 -0.43 0.00 0.87 0.00 0.00 54.58 55.69 1p2e n ASN 204 Cb 0.81 -1.34 -0.02 0.00 -1.02 0.00 0.00 39.78 38.21 1p2e n ASN 204 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1p2e s ASP 205 N -1.39 6.88 0.34 6.41 -1.08 0.42 -4.91 116.67 123.34 1p2e s ASP 205 Ca 0.73 1.19 0.04 0.00 -0.52 0.00 0.00 52.55 53.99 1p2e s ASP 205 Cb -0.39 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.14 1p2e s ASP 205 CO 0.50 -0.90 1.89 -0.65 0.52 0.00 0.00 175.17 176.53 1p2e h PRO 206 N 8.35 0.53 -0.37 4.34 0.11 -1.91 -0.52 132.00 142.54 1p2e h PRO 206 Ca -0.22 -0.11 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 1p2e h PRO 206 Cb 1.07 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1p2e h PRO 206 CO 1.02 0.55 -0.04 0.00 -0.21 0.00 0.00 178.00 179.32 1p2e h ALA 207 N 1.51 1.24 -0.21 -0.75 0.00 -1.96 -1.15 119.26 117.94 1p2e h ALA 207 Ca 0.11 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1p2e h ALA 207 Cb 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1p2e h ALA 207 CO 0.01 0.50 -0.24 -0.07 0.00 0.00 0.00 179.25 179.45 1p2e h LEU 208 N 0.57 0.58 -1.04 0.00 4.07 -1.44 -2.05 115.31 115.99 1p2e h LEU 208 Ca 0.11 -0.49 0.03 0.00 0.08 0.00 0.00 57.88 57.61 1p2e h LEU 208 Cb 0.43 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.95 1p2e h LEU 208 CO 0.02 0.96 0.65 0.58 -1.08 0.00 0.00 178.44 179.56 1p2e h VAL 209 N 0.22 1.20 -0.85 1.22 2.07 -1.26 0.30 116.25 119.15 1p2e h VAL 209 Ca 0.03 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1p2e h VAL 209 Cb 0.81 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 1p2e h VAL 209 CO 0.06 0.23 0.48 0.50 0.02 0.00 0.00 177.57 178.86 1p2e h LYS 210 N 1.28 1.18 -0.52 1.57 3.11 -1.15 1.04 116.57 123.08 1p2e h LYS 210 Ca 0.38 -0.13 -0.06 0.00 -2.81 0.00 0.00 60.65 58.03 1p2e h LYS 210 Cb -0.06 -0.24 -0.02 0.00 -1.00 0.00 0.00 32.23 30.91 1p2e h LYS 210 CO -0.10 0.86 0.10 0.28 -2.81 0.00 0.00 179.45 177.78 1p2e h VAL 211 N 1.19 1.25 0.06 2.00 2.07 -0.33 0.11 116.25 122.60 1p2e h VAL 211 Ca 0.30 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1p2e h VAL 211 Cb 0.01 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1p2e h VAL 211 CO -0.05 0.33 -0.21 0.25 0.02 0.00 0.00 177.57 177.91 1p2e h LEU 212 N 0.73 -0.59 -0.09 2.57 5.85 0.16 -0.88 115.31 123.06 1p2e h LEU 212 Ca 0.16 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 1p2e h LEU 212 Cb 0.37 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1p2e h LEU 212 CO 0.01 -0.28 -0.10 0.77 -0.34 0.00 0.00 178.44 178.50 1p2e h SER 213 N -0.36 0.24 0.67 1.25 4.64 0.11 -2.91 113.55 117.19 1p2e h SER 213 Ca 0.04 -0.49 -0.04 0.00 -0.47 0.00 0.00 61.79 60.83 1p2e h SER 213 Cb 0.41 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1p2e h SER 213 CO -0.15 0.68 -0.17 0.77 -0.87 0.00 0.00 176.83 177.10 1p2e h SER 214 N -0.20 0.00 0.01 4.97 4.64 -0.74 -2.79 113.55 119.44 1p2e h SER 214 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1p2e h SER 214 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1p2e h SER 214 CO 0.02 0.17 -0.40 1.41 -0.87 0.00 0.00 176.83 177.17 1p2e n HIS 215 N -3.47 0.00 0.04 4.77 -0.00 -0.34 -4.56 115.22 111.65 1p2e n HIS 215 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.73 1p2e n HIS 215 Cb 0.34 -0.01 0.36 0.00 -0.00 0.00 0.00 29.99 30.68 1p2e n HIS 215 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1p2e h SER 216 N 2.59 0.41 0.12 0.41 4.64 -1.28 0.68 113.55 121.12 1p2e h SER 216 Ca 0.00 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1p2e h SER 216 Cb 0.76 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1p2e h SER 216 CO 0.00 0.44 -0.06 0.50 -0.87 0.00 0.00 176.83 176.85 1p2e h LYS 217 N 0.44 -0.15 -0.65 4.77 3.64 -1.79 -0.61 116.57 122.22 1p2e h LYS 217 Ca 0.10 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.60 1p2e h LYS 217 Cb 0.22 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.00 1p2e h LYS 217 CO 0.00 0.23 0.24 -0.44 -2.27 0.00 0.00 179.45 177.21 1p2e h ASP 218 N -0.56 0.22 -0.67 4.20 3.32 -1.72 0.27 116.42 121.47 1p2e h ASP 218 Ca -0.02 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.18 1p2e h ASP 218 Cb 0.45 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 1p2e h ASP 218 CO 0.03 0.12 0.38 0.28 -1.72 0.00 0.00 179.24 178.32 1p2e h SER 219 N 0.41 0.57 -0.75 6.45 0.02 0.91 0.11 113.55 121.26 1p2e h SER 219 Ca 0.33 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1p2e h SER 219 Cb 0.45 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 1p2e h SER 219 CO -0.34 0.37 0.41 0.58 -1.14 0.00 0.00 176.83 176.71 1p2e h VAL 220 N 0.70 1.23 -0.30 2.27 2.07 -0.55 -2.37 116.25 119.29 1p2e h VAL 220 Ca 0.30 -0.57 -0.15 0.00 0.82 0.00 0.00 66.70 67.10 1p2e h VAL 220 Cb 0.18 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1p2e h VAL 220 CO -0.18 0.25 -0.40 0.44 0.02 0.00 0.00 177.57 177.71 1p2e h ASP 221 N 1.06 0.78 0.14 0.57 3.32 -0.40 -1.07 116.42 120.83 1p2e h ASP 221 Ca 0.27 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 56.98 1p2e h ASP 221 Cb 0.03 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1p2e h ASP 221 CO -0.04 1.09 -0.29 -0.25 -1.72 0.00 0.00 179.24 178.02 1p2e h TRP 222 N 0.60 -0.79 -0.74 4.55 7.01 -0.41 0.92 115.95 127.10 1p2e h TRP 222 Ca 0.05 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.09 1p2e h TRP 222 Cb 0.95 0.33 -0.04 0.00 -2.10 0.00 0.00 29.16 28.29 1p2e h TRP 222 CO 0.05 -0.40 0.47 0.52 -2.79 0.00 0.00 178.44 176.29 1p2e h MET 223 N -0.53 0.90 -0.22 2.65 2.86 -1.43 -1.84 114.93 117.33 1p2e h MET 223 Ca 0.02 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 1p2e h MET 223 Cb 0.54 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1p2e h MET 223 CO -0.16 0.59 -0.38 1.15 1.06 0.00 0.00 176.91 179.18 1p2e h THR 224 N 0.92 1.32 -0.28 2.22 2.02 -0.87 -0.03 112.91 118.21 1p2e h THR 224 Ca 0.29 -1.59 0.08 0.00 0.77 0.00 0.00 66.41 65.96 1p2e h THR 224 Cb -0.01 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1p2e h THR 224 CO -0.10 0.50 0.23 0.00 0.37 0.00 0.00 175.52 176.51 1p2e h ALA 225 N 0.62 2.14 -0.01 6.16 0.00 0.13 -2.25 119.26 126.06 1p2e h ALA 225 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1p2e h ALA 225 Cb 0.97 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1p2e h ALA 225 CO 0.09 -0.37 -0.31 -1.33 0.00 0.00 0.00 179.25 177.32 1p2e n MET 226 N -4.21 0.61 0.00 0.00 2.81 -0.61 -4.90 117.12 110.82 1p2e n MET 226 Ca 0.04 -0.35 0.00 0.00 -1.81 0.00 0.00 57.70 55.58 1p2e n MET 226 Cb 0.38 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 1p2e n MET 226 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1p2e n GLY 227 N 1.38 0.04 3.81 3.03 0.00 -0.60 -4.90 105.19 107.94 1p2e n GLY 227 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1p2e n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2e s ALA 228 N -1.02 2.81 -0.38 4.61 0.00 -0.13 -4.97 121.76 122.68 1p2e s ALA 228 Ca 0.00 0.40 -0.11 0.00 0.00 0.00 0.00 51.96 52.25 1p2e s ALA 228 Cb 0.00 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.94 1p2e s ALA 228 CO 0.00 -0.64 0.22 0.34 0.00 0.00 0.00 175.76 175.68 1p2e s ASP 229 N -2.69 5.74 -0.29 0.00 2.15 -1.26 -4.23 116.67 116.09 1p2e s ASP 229 Ca 0.64 -1.07 0.14 0.00 0.43 0.00 0.00 52.55 52.68 1p2e s ASP 229 Cb -0.15 -2.03 0.48 0.00 -0.30 0.00 0.00 42.92 40.92 1p2e s ASP 229 CO 0.33 -0.42 1.14 0.18 -0.17 0.00 0.00 175.17 176.24 1p2e n LEU 230 N 5.00 3.42 0.13 -1.34 4.77 -1.26 -2.02 117.00 125.70 1p2e n LEU 230 Ca -0.12 -4.04 0.07 0.00 -0.03 0.00 0.00 56.01 51.89 1p2e n LEU 230 Cb 0.45 0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.60 1p2e n LEU 230 CO 0.37 1.66 0.30 0.71 -1.33 0.00 0.00 177.39 179.10 1p2e h THR 231 N 3.61 0.36 -3.37 -5.08 1.35 -1.85 -3.36 112.91 104.57 1p2e h THR 231 Ca 0.14 -1.56 -0.55 0.00 -0.55 0.00 0.00 66.41 63.89 1p2e h THR 231 Cb 1.38 2.01 -0.03 0.00 -1.73 0.00 0.00 68.15 69.79 1p2e h THR 231 CO 0.52 0.20 0.37 -0.62 -0.25 0.00 0.00 175.52 175.74 1p2e s ASP 232 N -6.00 7.27 -0.19 5.36 2.15 -0.19 -4.87 116.67 120.22 1p2e s ASP 232 Ca 0.02 1.55 -0.01 0.00 0.43 0.00 0.00 52.55 54.54 1p2e s ASP 232 Cb 0.08 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 40.21 1p2e s ASP 232 CO 0.75 -0.28 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.77 1p2e s VAL 233 N 1.22 0.90 0.25 1.11 1.01 -1.26 -0.93 120.40 122.71 1p2e s VAL 233 Ca 0.49 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1p2e s VAL 233 Cb -0.20 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 1p2e s VAL 233 CO 0.24 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1p2e n GLY 234 N 4.92 3.88 3.56 4.51 0.00 -0.51 -4.85 105.19 116.70 1p2e n GLY 234 Ca -0.10 -2.29 -0.30 0.00 0.00 0.00 0.00 46.02 43.33 1p2e n GLY 234 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1p2e s MET 235 N -2.91 2.17 0.12 1.61 -2.45 -1.26 -1.72 119.30 114.86 1p2e s MET 235 Ca 0.00 -0.98 0.02 0.00 -1.25 0.00 0.00 55.69 53.48 1p2e s MET 235 Cb 0.00 -2.32 -0.04 0.00 1.25 0.00 0.00 34.83 33.72 1p2e s MET 235 CO 0.00 0.53 -0.04 -1.64 1.05 0.00 0.00 175.02 174.91 1p2e s MET 236 N -1.99 0.90 0.25 4.11 -1.94 -1.26 -4.21 119.30 115.16 1p2e s MET 236 Ca 0.20 -1.39 -0.31 0.00 -1.71 0.00 0.00 55.69 52.48 1p2e s MET 236 Cb -0.11 -0.19 -0.12 0.00 2.01 0.00 0.00 34.83 36.42 1p2e s MET 236 CO 0.12 -0.06 1.65 0.41 -0.01 0.00 0.00 175.02 177.12 1p2e n GLY 237 N -0.09 1.41 0.67 -0.03 0.00 -1.26 -3.10 105.19 102.78 1p2e n GLY 237 Ca -0.10 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1p2e n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2e n GLY 238 N 3.00 0.83 3.83 -0.02 0.00 -1.20 -4.21 105.19 107.42 1p2e n GLY 238 Ca 0.12 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1p2e n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2e s ALA 239 N -2.00 3.73 0.05 4.61 0.00 -1.18 -4.83 121.76 122.15 1p2e s ALA 239 Ca 0.00 -0.85 0.09 0.00 0.00 0.00 0.00 51.96 51.20 1p2e s ALA 239 Cb 0.00 -1.67 -0.15 0.00 0.00 0.00 0.00 23.12 21.30 1p2e s ALA 239 CO 0.00 0.73 1.30 0.77 0.00 0.00 0.00 175.76 178.56 1p2e h SER 240 N 3.82 0.00 -4.71 0.00 0.02 -1.92 -3.47 113.55 107.28 1p2e h SER 240 Ca -0.48 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.09 1p2e h SER 240 Cb 1.18 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.58 1p2e h SER 240 CO 0.66 0.88 -0.58 0.68 -1.14 0.00 0.00 176.83 177.33 1p2e s VAL 241 N -2.77 0.38 -0.00 2.27 -7.23 -1.26 -5.10 120.40 106.69 1p2e s VAL 241 Ca 0.02 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.88 1p2e s VAL 241 Cb 0.09 -2.55 -0.06 0.00 0.56 0.00 0.00 36.38 34.42 1p2e s VAL 241 CO 0.80 0.00 1.46 0.20 -0.31 0.00 0.00 175.10 177.25 1p2e s ASN 242 N -3.34 6.80 0.00 4.85 -0.87 -1.26 -4.85 114.94 116.27 1p2e s ASN 242 Ca 0.37 2.16 0.00 0.00 -1.57 0.00 0.00 52.86 53.82 1p2e s ASN 242 Cb 0.06 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.73 1p2e s ASN 242 CO 0.16 -0.77 0.79 -2.11 -2.57 0.00 0.00 177.10 172.60 1p2e n ARG 243 N 5.63 0.00 -2.97 -0.60 1.85 -0.70 -4.83 116.66 115.05 1p2e n ARG 243 Ca 0.14 -0.71 -0.44 0.00 -1.00 0.00 0.00 57.85 55.85 1p2e n ARG 243 Cb 0.43 -0.40 -0.04 0.00 -1.05 0.00 0.00 32.46 31.40 1p2e n ARG 243 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1p2e s ALA 244 N 0.00 3.24 0.14 2.89 0.00 -0.75 -2.38 121.76 124.90 1p2e s ALA 244 Ca 0.00 -1.95 -0.24 0.00 0.00 0.00 0.00 51.96 49.77 1p2e s ALA 244 Cb 0.00 -3.70 -0.08 0.00 0.00 0.00 0.00 23.12 19.34 1p2e s ALA 244 CO 0.00 -2.56 0.74 -1.01 0.00 0.00 0.00 175.76 172.94 1p2e s HIS 245 N 3.47 3.88 0.26 0.00 3.76 -0.72 -1.43 115.29 124.51 1p2e s HIS 245 Ca 0.18 1.57 -0.22 0.00 -0.15 0.00 0.00 55.06 56.44 1p2e s HIS 245 Cb -0.19 -2.73 0.03 0.00 1.11 0.00 0.00 32.58 30.79 1p2e s HIS 245 CO 0.09 0.51 0.75 -0.98 -0.85 0.00 0.00 174.74 174.26 1p2e s ARG 246 N -1.05 1.69 0.86 1.40 1.70 -0.10 -0.52 118.95 122.92 1p2e s ARG 246 Ca 0.35 -0.93 -0.12 0.00 -0.47 0.00 0.00 55.73 54.56 1p2e s ARG 246 Cb -0.22 0.58 0.10 0.00 -0.57 0.00 0.00 34.95 34.84 1p2e s ARG 246 CO 0.25 -0.78 1.10 -2.30 -1.08 0.00 0.00 175.30 172.49 1p2e n PRO 247 N -0.46 -0.10 -1.50 3.89 -0.02 -0.86 -1.02 135.00 134.94 1p2e n PRO 247 Ca -0.05 0.04 -0.54 0.00 -2.02 0.00 0.00 63.50 60.93 1p2e n PRO 247 Cb 0.59 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 1p2e n PRO 247 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1p2e n THR 248 N -3.66 0.60 -1.03 3.45 -1.04 -1.26 -2.05 114.28 109.29 1p2e n THR 248 Ca 0.12 -0.15 -0.01 0.00 -2.04 0.00 0.00 64.05 61.97 1p2e n THR 248 Cb 0.51 -0.19 -0.00 0.00 -1.82 0.00 0.00 70.33 68.83 1p2e n THR 248 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1p2e n GLY 249 N 1.77 0.40 1.68 3.41 0.00 -1.26 -4.09 105.19 107.10 1p2e n GLY 249 Ca 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 1p2e n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2e n GLY 250 N -1.61 0.77 3.89 -0.02 0.00 -0.87 -0.86 105.19 106.48 1p2e n GLY 250 Ca -0.01 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 1p2e n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2e s ALA 251 N -2.74 3.08 0.36 4.61 0.00 -1.20 -2.84 121.76 123.04 1p2e s ALA 251 Ca 0.01 -0.39 -0.26 0.00 0.00 0.00 0.00 51.96 51.32 1p2e s ALA 251 Cb -0.00 -2.90 -0.12 0.00 0.00 0.00 0.00 23.12 20.10 1p2e s ALA 251 CO 0.01 -0.89 1.06 0.41 0.00 0.00 0.00 175.76 176.35 1p2e n GLY 252 N -2.78 -0.10 0.07 0.00 0.00 -1.26 -4.06 105.19 97.06 1p2e n GLY 252 Ca 0.06 0.24 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 1p2e n GLY 252 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1p2e h VAL 253 N 1.89 1.59 0.63 1.61 3.04 -0.80 -3.40 116.25 120.80 1p2e h VAL 253 Ca -0.43 -3.28 -0.03 0.00 -1.01 0.00 0.00 66.70 61.95 1p2e h VAL 253 Cb 1.33 2.84 0.01 0.00 -2.01 0.00 0.00 31.29 33.45 1p2e h VAL 253 CO 0.59 0.92 -0.30 1.23 -1.01 0.00 0.00 177.57 179.00 1p2e h GLY 254 N 2.69 -0.88 1.34 3.17 0.00 -0.29 -1.54 103.07 107.56 1p2e h GLY 254 Ca -0.06 0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 1p2e h GLY 254 CO 0.14 -0.32 0.25 0.00 0.00 0.00 0.00 176.54 176.61 1p2e h ALA 255 N -1.58 1.33 0.32 3.60 0.00 -1.69 -0.21 119.26 121.03 1p2e h ALA 255 Ca -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1p2e h ALA 255 Cb 0.64 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1p2e h ALA 255 CO 0.14 0.51 -0.15 1.25 0.00 0.00 0.00 179.25 180.99 1p2e h HIS 256 N 0.84 -0.40 -0.71 0.00 6.17 -1.75 0.71 115.15 120.02 1p2e h HIS 256 Ca 0.20 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.27 1p2e h HIS 256 Cb 0.15 0.13 -0.03 0.00 2.52 0.00 0.00 27.41 30.17 1p2e h HIS 256 CO 0.01 -0.10 0.45 0.28 0.71 0.00 0.00 177.93 179.28 1p2e h VAL 257 N -0.69 1.19 -0.26 5.26 2.07 -1.10 0.35 116.25 123.07 1p2e h VAL 257 Ca -0.04 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 1p2e h VAL 257 Cb 0.48 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1p2e h VAL 257 CO 0.07 0.19 -0.24 0.58 0.02 0.00 0.00 177.57 178.19 1p2e h VAL 258 N 0.96 1.26 -0.39 2.57 2.07 -0.77 -1.02 116.25 120.94 1p2e h VAL 258 Ca 0.26 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1p2e h VAL 258 Cb -0.08 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1p2e h VAL 258 CO -0.05 0.40 0.12 -0.61 0.02 0.00 0.00 177.57 177.45 1p2e h GLN 259 N 0.44 0.61 0.05 1.57 5.75 -0.34 -0.40 115.11 122.79 1p2e h GLN 259 Ca 0.07 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1p2e h GLN 259 Cb 0.66 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 1p2e h GLN 259 CO 0.05 0.61 -0.09 0.28 -2.65 0.00 0.00 178.83 177.03 1p2e h VAL 260 N 0.48 0.78 -0.72 2.39 2.07 -0.59 -1.40 116.25 119.27 1p2e h VAL 260 Ca 0.13 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 1p2e h VAL 260 Cb 0.26 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1p2e h VAL 260 CO -0.00 0.00 0.45 -0.07 0.02 0.00 0.00 177.57 177.97 1p2e h LEU 261 N -0.18 0.74 -0.67 2.57 3.38 -0.99 -1.59 115.31 118.56 1p2e h LEU 261 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1p2e h LEU 261 Cb 0.20 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1p2e h LEU 261 CO -0.06 0.51 0.42 0.22 0.09 0.00 0.00 178.44 179.62 1p2e h TYR 262 N 0.88 0.87 -0.69 1.13 3.20 -0.89 0.36 116.97 121.83 1p2e h TYR 262 Ca 0.29 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 1p2e h TYR 262 Cb 0.02 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 1p2e h TYR 262 CO -0.04 0.57 0.36 -0.44 -1.64 0.00 0.00 178.16 176.97 1p2e h ASP 263 N 0.91 0.88 -0.51 -2.11 3.32 -0.90 -1.12 116.42 116.89 1p2e h ASP 263 Ca 0.24 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1p2e h ASP 263 Cb -0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 1p2e h ASP 263 CO -0.05 0.74 -0.08 0.78 -1.72 0.00 0.00 179.24 178.91 1p2e h ASN 264 N 0.95 0.95 -0.39 6.45 2.35 -0.30 0.14 115.58 125.73 1p2e h ASN 264 Ca 0.24 -0.34 0.02 0.00 -0.55 0.00 0.00 56.30 55.66 1p2e h ASN 264 Cb 0.07 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 1p2e h ASN 264 CO -0.04 1.07 0.22 0.00 -1.65 0.00 0.00 177.43 177.04 1p2e h ALA 265 N 0.91 0.49 -0.60 -0.83 0.00 -0.16 -2.59 119.26 116.48 1p2e h ALA 265 Ca 0.13 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1p2e h ALA 265 Cb 0.63 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1p2e h ALA 265 CO 0.04 -0.12 0.27 0.28 0.00 0.00 0.00 179.25 179.73 1p2e h VAL 266 N 0.45 1.22 -0.36 0.00 2.07 -0.76 -0.27 116.25 118.61 1p2e h VAL 266 Ca 0.16 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1p2e h VAL 266 Cb 0.02 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1p2e h VAL 266 CO -0.08 0.26 0.14 0.50 0.02 0.00 0.00 177.57 178.41 1p2e h LYS 267 N 0.83 0.50 -0.04 1.57 3.64 -0.49 -1.20 116.57 121.38 1p2e h LYS 267 Ca 0.20 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1p2e h LYS 267 Cb 0.15 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1p2e h LYS 267 CO -0.02 0.42 0.00 0.54 -2.27 0.00 0.00 179.45 178.12 1p2e n ARG 268 N -4.39 1.18 -3.74 1.90 1.74 -0.94 -4.89 116.66 107.52 1p2e n ARG 268 Ca 0.02 -0.27 -0.26 0.00 -0.77 0.00 0.00 57.85 56.57 1p2e n ARG 268 Cb 0.14 -1.31 0.05 0.00 -1.02 0.00 0.00 32.46 30.33 1p2e n ARG 268 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1p2e n ASN 269 N -0.51 -4.84 -4.70 0.55 4.13 -0.45 -4.90 115.26 104.54 1p2e n ASN 269 Ca 0.14 -0.68 -0.42 0.00 1.68 0.00 0.00 54.58 55.30 1p2e n ASN 269 Cb 0.13 -4.42 -0.03 0.00 -1.54 0.00 0.00 39.78 33.92 1p2e n ASN 269 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1p2e s ILE 270 N -3.35 3.83 -0.55 2.41 1.01 -0.16 -4.95 121.20 119.45 1p2e s ILE 270 Ca 0.52 1.25 -0.27 0.00 0.00 0.00 0.00 60.65 62.16 1p2e s ILE 270 Cb -0.25 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1p2e s ILE 270 CO 0.78 0.04 1.95 -0.62 0.00 0.00 0.00 174.94 177.09 1p2e s ASP 271 N 1.48 5.20 -0.24 3.58 -1.08 -1.26 -4.85 116.67 119.51 1p2e s ASP 271 Ca 0.61 0.61 -0.06 0.00 -0.52 0.00 0.00 52.55 53.19 1p2e s ASP 271 Cb -0.30 -2.52 -0.02 0.00 -1.46 0.00 0.00 42.92 38.61 1p2e s ASP 271 CO 0.27 -2.38 0.03 -0.22 0.52 0.00 0.00 175.17 173.39 1p2e s LEU 272 N 9.35 3.25 -0.12 -1.34 2.96 -1.26 -0.74 118.68 130.78 1p2e s LEU 272 Ca 0.74 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.41 1p2e s LEU 272 Cb -0.15 -1.86 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 1p2e s LEU 272 CO 0.23 -0.03 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.91 1p2e s ARG 273 N 1.55 3.17 0.47 1.98 0.52 0.03 -4.96 118.95 121.70 1p2e s ARG 273 Ca 0.06 -0.80 -0.00 0.00 -0.52 0.00 0.00 55.73 54.47 1p2e s ARG 273 Cb -0.15 -2.46 -0.00 0.00 0.52 0.00 0.00 34.95 32.87 1p2e s ARG 273 CO 0.01 0.14 0.69 -1.64 0.02 0.00 0.00 175.30 174.53 1p2e s MET 274 N 0.47 3.02 -1.51 3.54 -1.94 -1.26 -1.27 119.30 120.34 1p2e s MET 274 Ca -0.13 -0.47 -0.10 0.00 -1.71 0.00 0.00 55.69 53.27 1p2e s MET 274 Cb -0.17 -2.53 0.07 0.00 2.01 0.00 0.00 34.83 34.21 1p2e s MET 274 CO 0.06 -0.33 0.77 0.09 -0.01 0.00 0.00 175.02 175.60 1p2e n ASN 275 N -2.13 -2.92 -3.67 3.03 3.02 -0.71 -3.97 115.26 107.91 1p2e n ASN 275 Ca 0.02 -0.89 -0.27 0.00 -0.03 0.00 0.00 54.58 53.41 1p2e n ASN 275 Cb 0.58 -3.47 -0.16 0.00 -0.61 0.00 0.00 39.78 36.11 1p2e n ASN 275 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1p2e s THR 276 N -3.49 0.26 -0.20 3.41 2.01 -0.37 -0.98 115.64 116.27 1p2e s THR 276 Ca 0.44 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 1p2e s THR 276 Cb -0.23 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 1p2e s THR 276 CO 0.86 -0.31 0.18 -0.60 -0.69 0.00 0.00 174.62 174.06 1p2e s ARG 277 N 1.97 4.17 -0.01 4.92 3.52 -0.38 -3.18 118.95 129.97 1p2e s ARG 277 Ca 0.02 -0.16 -0.30 0.00 -0.13 0.00 0.00 55.73 55.16 1p2e s ARG 277 Cb -0.17 -3.46 -0.05 0.00 -1.56 0.00 0.00 34.95 29.71 1p2e s ARG 277 CO -0.12 0.20 1.41 0.20 -0.81 0.00 0.00 175.30 176.18 1p2e s GLY 278 N 0.62 1.83 -0.13 8.12 0.00 -1.26 0.08 107.32 116.58 1p2e s GLY 278 Ca 0.10 0.88 -0.05 0.00 0.00 0.00 0.00 44.72 45.65 1p2e s GLY 278 CO 0.01 2.54 -0.15 1.39 0.00 0.00 0.00 173.10 176.90 1p2e n ILE 279 N 4.73 0.69 -3.69 0.90 2.08 -0.84 -4.95 119.36 118.29 1p2e n ILE 279 Ca 0.13 -0.20 -0.12 0.00 0.56 0.00 0.00 62.75 63.13 1p2e n ILE 279 Cb 0.44 -1.49 -0.12 0.00 -0.75 0.00 0.00 39.64 37.72 1p2e n ILE 279 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1p2e s GLU 280 N -2.23 0.24 0.05 0.38 2.12 -1.11 -4.75 118.70 113.40 1p2e s GLU 280 Ca -0.17 0.74 -0.31 0.00 0.36 0.00 0.00 54.97 55.59 1p2e s GLU 280 Cb 0.06 0.01 -0.07 0.00 0.26 0.00 0.00 34.13 34.39 1p2e s GLU 280 CO 0.24 -0.22 1.44 0.08 -0.54 0.00 0.00 175.26 176.25 1p2e s VAL 281 N 1.93 3.45 -0.14 3.70 1.01 -1.26 0.32 120.40 129.41 1p2e s VAL 281 Ca -0.04 0.94 -0.11 0.00 0.00 0.00 0.00 61.98 62.76 1p2e s VAL 281 Cb -0.11 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1p2e s VAL 281 CO -0.10 0.03 0.22 -0.76 0.00 0.00 0.00 175.10 174.49 1p2e s LEU 282 N 1.95 4.31 0.15 3.92 1.02 0.16 -4.89 118.68 125.29 1p2e s LEU 282 Ca 0.66 0.48 0.11 0.00 0.02 0.00 0.00 54.13 55.40 1p2e s LEU 282 Cb -0.35 -2.24 -0.04 0.00 0.02 0.00 0.00 46.19 43.58 1p2e s LEU 282 CO 0.29 0.24 -0.25 -0.54 0.02 0.00 0.00 176.35 176.10 1p2e s LYS 283 N -0.18 1.48 0.14 1.70 1.02 -1.26 0.21 119.74 122.86 1p2e s LYS 283 Ca 0.15 -1.40 -0.02 0.00 0.02 0.00 0.00 55.97 54.71 1p2e s LYS 283 Cb -0.13 -1.90 0.03 0.00 -0.52 0.00 0.00 37.83 35.32 1p2e s LYS 283 CO 0.04 0.43 0.19 -0.40 -0.92 0.00 0.00 175.35 174.69 1p2e n ASP 284 N 0.65 -0.10 0.00 2.83 5.68 0.28 -4.78 116.55 121.13 1p2e n ASP 284 Ca -0.16 -1.02 0.11 0.00 -0.50 0.00 0.00 54.79 53.22 1p2e n ASP 284 Cb 0.54 -0.15 0.65 0.00 -1.14 0.00 0.00 41.12 41.02 1p2e n ASP 284 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1p2e n ASP 285 N -3.14 0.00 -0.21 -1.12 5.75 -1.26 -1.81 116.55 114.76 1p2e n ASP 285 Ca 0.02 -0.95 0.07 0.00 -0.01 0.00 0.00 54.79 53.93 1p2e n ASP 285 Cb 0.08 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.28 1p2e n ASP 285 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1p2e n LYS 286 N -0.92 0.99 -1.83 0.11 2.85 -1.26 -4.99 118.16 113.11 1p2e n LYS 286 Ca 0.16 -2.24 -0.09 0.00 -1.05 0.00 0.00 58.31 55.09 1p2e n LYS 286 Cb 0.08 -1.26 -0.02 0.00 -0.65 0.00 0.00 35.03 33.18 1p2e n LYS 286 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1p2e n GLY 287 N -1.08 0.40 3.74 2.58 0.00 -0.75 -5.02 105.19 105.06 1p2e n GLY 287 Ca 0.12 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 1p2e n GLY 287 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1p2e s THR 288 N -2.40 3.93 0.17 2.61 -4.23 -1.26 -4.31 115.64 110.15 1p2e s THR 288 Ca 0.00 -1.65 -0.30 0.00 -1.18 0.00 0.00 61.69 58.56 1p2e s THR 288 Cb 0.00 -3.13 -0.08 0.00 1.34 0.00 0.00 72.50 70.64 1p2e s THR 288 CO 0.00 -0.36 1.16 0.68 -0.54 0.00 0.00 174.62 175.56 1p2e s VAL 289 N -2.23 3.72 -0.36 2.29 -7.23 -0.49 -0.55 120.40 115.55 1p2e s VAL 289 Ca 0.32 1.45 0.08 0.00 -1.81 0.00 0.00 61.98 62.02 1p2e s VAL 289 Cb -0.07 -3.93 -0.09 0.00 0.56 0.00 0.00 36.38 32.85 1p2e s VAL 289 CO 0.22 0.23 0.33 2.29 -0.31 0.00 0.00 175.10 177.87 1p2e n LYS 290 N 2.53 4.14 -3.84 4.82 2.85 0.13 -4.62 118.16 124.18 1p2e n LYS 290 Ca 0.04 -0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1p2e n LYS 290 Cb 0.45 -0.89 0.00 0.00 -0.65 0.00 0.00 35.03 33.94 1p2e n LYS 290 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1p2e n GLY 291 N 1.23 -0.72 3.14 2.58 0.00 -0.95 -0.33 105.19 110.15 1p2e n GLY 291 Ca 0.01 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 1p2e n GLY 291 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1p2e s ILE 292 N -3.00 0.01 -0.13 -0.61 2.07 -0.25 0.36 121.20 119.66 1p2e s ILE 292 Ca 0.00 -0.11 -0.22 0.00 -1.41 0.00 0.00 60.65 58.91 1p2e s ILE 292 Cb 0.00 -0.39 -0.03 0.00 0.13 0.00 0.00 42.46 42.17 1p2e s ILE 292 CO 0.00 -0.06 0.65 -0.22 -1.91 0.00 0.00 174.94 173.40 1p2e s LEU 293 N -0.14 4.24 0.29 8.50 2.96 0.15 -1.87 118.68 132.81 1p2e s LEU 293 Ca -0.03 1.00 0.11 0.00 -0.22 0.00 0.00 54.13 54.99 1p2e s LEU 293 Cb -0.03 -2.96 -0.05 0.00 0.50 0.00 0.00 46.19 43.65 1p2e s LEU 293 CO 0.01 -0.17 -0.09 0.68 -1.32 0.00 0.00 176.35 175.46 1p2e s VAL 294 N 1.23 2.77 -0.25 1.68 -7.23 0.16 -1.99 120.40 116.76 1p2e s VAL 294 Ca 0.33 -2.17 -0.01 0.00 -1.81 0.00 0.00 61.98 58.32 1p2e s VAL 294 Cb -0.16 -2.58 0.08 0.00 0.56 0.00 0.00 36.38 34.27 1p2e s VAL 294 CO 0.14 -0.34 0.03 -0.75 -0.31 0.00 0.00 175.10 173.87 1p2e s LYS 295 N -3.60 1.03 -0.20 4.82 2.20 0.11 -2.38 119.74 121.72 1p2e s LYS 295 Ca 0.32 -0.90 -0.29 0.00 -0.36 0.00 0.00 55.97 54.74 1p2e s LYS 295 Cb -0.04 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 1p2e s LYS 295 CO 0.17 -0.76 1.10 0.20 -0.36 0.00 0.00 175.35 175.71 1p2e s GLY 296 N 1.58 1.75 0.29 5.54 0.00 0.72 -1.25 107.32 115.94 1p2e s GLY 296 Ca 0.02 0.28 0.05 0.00 0.00 0.00 0.00 44.72 45.06 1p2e s GLY 296 CO -0.13 2.25 1.75 1.98 0.00 0.00 0.00 173.10 178.95 1p2e h MET 297 N 7.61 0.63 0.00 2.90 4.05 -1.34 -1.38 114.93 127.40 1p2e h MET 297 Ca -0.22 -0.04 -0.23 0.00 -0.28 0.00 0.00 59.70 58.93 1p2e h MET 297 Cb 1.08 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 31.70 1p2e h MET 297 CO 0.97 0.42 -1.88 0.66 0.23 0.00 0.00 176.91 177.30 1p2e n TYR 298 N -4.85 0.48 -0.23 1.39 4.01 -1.26 -4.63 117.16 112.07 1p2e n TYR 298 Ca 0.22 0.16 0.02 0.00 -0.16 0.00 0.00 57.90 58.15 1p2e n TYR 298 Cb 0.58 -0.97 0.03 0.00 -0.31 0.00 0.00 39.34 38.67 1p2e n TYR 298 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1p2e n LYS 299 N -2.76 2.61 0.00 -0.72 4.76 -1.20 -5.04 118.16 115.82 1p2e n LYS 299 Ca -0.18 -1.69 0.00 0.00 -2.87 0.00 0.00 58.31 53.57 1p2e n LYS 299 Cb 0.93 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 33.04 1p2e n LYS 299 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p2e n GLY 300 N -0.67 -1.81 3.79 0.72 0.00 -0.53 -4.88 105.19 101.81 1p2e n GLY 300 Ca 0.03 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 1p2e n GLY 300 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p2e s TYR 301 N 0.00 3.32 -0.03 1.61 2.02 -1.26 -0.20 117.35 122.81 1p2e s TYR 301 Ca 0.00 1.66 -0.30 0.00 -0.37 0.00 0.00 57.07 58.06 1p2e s TYR 301 Cb 0.00 -3.05 0.11 0.00 -0.40 0.00 0.00 41.96 38.62 1p2e s TYR 301 CO 0.00 -0.43 1.02 1.52 -1.57 0.00 0.00 175.55 176.09 1p2e s TYR 302 N -1.76 -0.23 0.11 2.71 -0.85 -1.00 -4.85 117.35 111.48 1p2e s TYR 302 Ca 0.58 0.09 0.08 0.00 -0.52 0.00 0.00 57.07 57.30 1p2e s TYR 302 Cb -0.19 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 1p2e s TYR 302 CO 0.24 -0.48 -0.20 1.67 -1.52 0.00 0.00 175.55 175.26 1p2e s TRP 303 N -2.91 1.77 -0.19 -3.49 1.48 -1.26 0.36 118.94 114.69 1p2e s TRP 303 Ca 0.08 -0.43 -0.02 0.00 -1.06 0.00 0.00 56.10 54.67 1p2e s TRP 303 Cb -0.01 -0.95 -0.00 0.00 -1.16 0.00 0.00 33.47 31.35 1p2e s TRP 303 CO -0.06 0.22 -0.10 0.08 -4.06 0.00 0.00 176.95 173.03 1p2e s VAL 304 N -1.36 2.94 0.02 -0.66 1.01 -0.78 -0.59 120.40 120.98 1p2e s VAL 304 Ca 0.08 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 1p2e s VAL 304 Cb -0.09 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1p2e s VAL 304 CO 0.05 0.47 0.90 -0.75 0.00 0.00 0.00 175.10 175.77 1p2e s LYS 305 N 1.23 4.56 0.15 2.72 2.20 0.40 -1.09 119.74 129.91 1p2e s LYS 305 Ca 0.03 1.29 -0.23 0.00 -0.36 0.00 0.00 55.97 56.69 1p2e s LYS 305 Cb -0.14 -3.43 0.07 0.00 -1.51 0.00 0.00 37.83 32.82 1p2e s LYS 305 CO -0.04 0.07 0.62 0.00 -0.36 0.00 0.00 175.35 175.64 1p2e s ALA 306 N 0.61 -1.61 0.11 3.13 0.00 0.55 -1.66 121.76 122.88 1p2e s ALA 306 Ca 0.47 0.53 0.10 0.00 0.00 0.00 0.00 51.96 53.05 1p2e s ALA 306 Cb -0.21 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1p2e s ALA 306 CO 0.26 -0.76 1.40 -0.44 0.00 0.00 0.00 175.76 176.22 1p2e h ASP 307 N 2.01 0.00 -4.06 0.00 3.32 -1.59 -3.11 116.42 112.99 1p2e h ASP 307 Ca -0.33 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.34 1p2e h ASP 307 Cb 1.30 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.57 1p2e h ASP 307 CO 0.38 0.81 -0.77 0.00 -1.72 0.00 0.00 179.24 177.93 1p2e s ALA 308 N -2.98 0.72 -0.15 3.45 0.00 -0.91 -4.53 121.76 117.36 1p2e s ALA 308 Ca 0.01 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.59 1p2e s ALA 308 Cb 0.10 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1p2e s ALA 308 CO 0.79 0.17 -0.22 0.08 0.00 0.00 0.00 175.76 176.58 1p2e s VAL 309 N -0.28 2.06 -0.25 0.00 1.01 -0.36 -1.29 120.40 121.28 1p2e s VAL 309 Ca 0.03 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 1p2e s VAL 309 Cb -0.04 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1p2e s VAL 309 CO -0.00 0.55 0.06 -0.63 0.00 0.00 0.00 175.10 175.08 1p2e s ILE 310 N 0.91 4.16 -0.42 2.22 1.01 -0.74 -1.28 121.20 127.05 1p2e s ILE 310 Ca -0.05 -0.29 -0.22 0.00 0.00 0.00 0.00 60.65 60.10 1p2e s ILE 310 Cb -0.15 -2.97 0.02 0.00 0.01 0.00 0.00 42.46 39.37 1p2e s ILE 310 CO -0.04 0.31 0.69 -0.76 0.00 0.00 0.00 174.94 175.14 1p2e s LEU 311 N 1.58 4.35 -0.38 2.97 1.02 -0.87 0.50 118.68 127.87 1p2e s LEU 311 Ca 0.06 -0.13 0.13 0.00 0.02 0.00 0.00 54.13 54.20 1p2e s LEU 311 Cb -0.15 -2.83 0.42 0.00 0.02 0.00 0.00 46.19 43.65 1p2e s LEU 311 CO 0.03 -0.78 0.94 0.00 0.02 0.00 0.00 176.35 176.55 1p2e n ALA 312 N 6.37 3.59 0.82 4.21 0.00 0.22 -1.87 120.51 133.85 1p2e n ALA 312 Ca -0.00 -3.58 0.10 0.00 0.00 0.00 0.00 53.44 49.96 1p2e n ALA 312 Cb 0.48 -0.83 0.29 0.00 0.00 0.00 0.00 19.45 19.39 1p2e n ALA 312 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1p2e n THR 313 N -0.10 0.37 -4.76 0.00 -2.24 -1.21 -4.29 114.28 102.06 1p2e n THR 313 Ca 0.21 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1p2e n THR 313 Cb 0.72 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1p2e n THR 313 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p2e n GLY 314 N 1.26 0.02 0.00 3.38 0.00 -1.26 -4.83 105.19 103.76 1p2e n GLY 314 Ca 0.17 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1p2e n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2e n GLY 315 N 0.00 0.35 0.74 -0.02 0.00 -1.26 -3.02 105.19 101.98 1p2e n GLY 315 Ca 0.00 -1.86 0.06 0.00 0.00 0.00 0.00 46.02 44.22 1p2e n GLY 315 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1p2e n PHE 316 N -0.93 0.00 0.28 1.61 -1.74 -1.25 -2.69 117.46 112.74 1p2e n PHE 316 Ca 0.00 -1.03 0.18 0.00 -0.56 0.00 0.00 57.45 56.03 1p2e n PHE 316 Cb 0.00 -0.19 0.77 0.00 1.52 0.00 0.00 39.48 41.58 1p2e n PHE 316 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1p2e h ALA 317 N 0.76 1.02 0.00 1.98 0.00 -1.86 -1.18 119.26 119.98 1p2e h ALA 317 Ca -0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1p2e h ALA 317 Cb 1.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1p2e h ALA 317 CO 0.03 0.03 -0.29 -0.22 0.00 0.00 0.00 179.25 178.79 1p2e h LYS 318 N 0.00 0.00 -5.68 0.00 1.63 -1.46 -3.41 116.57 107.66 1p2e h LYS 318 Ca -0.00 0.00 -0.69 0.00 -0.85 0.00 0.00 60.65 59.11 1p2e h LYS 318 Cb 0.42 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.96 1p2e h LYS 318 CO 0.00 0.29 2.03 1.21 -3.45 0.00 0.00 179.45 179.53 1p2e s ASN 319 N -6.28 6.87 0.53 4.20 3.84 -0.45 -4.83 114.94 118.83 1p2e s ASN 319 Ca 0.02 -2.50 0.22 0.00 0.21 0.00 0.00 52.86 50.81 1p2e s ASN 319 Cb 0.09 -2.55 1.45 0.00 -0.55 0.00 0.00 41.25 39.69 1p2e s ASN 319 CO 0.67 -1.11 2.15 -1.13 -2.79 0.00 0.00 177.10 174.89 1p2e h ASN 320 N 7.59 0.00 -0.32 -4.21 -0.73 -1.82 0.87 115.58 116.96 1p2e h ASN 320 Ca 0.42 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.49 1p2e h ASN 320 Cb 0.88 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.46 1p2e h ASN 320 CO 1.42 0.05 -0.18 -0.08 -0.37 0.00 0.00 177.43 178.27 1p2e h GLU 321 N 0.00 0.68 -0.27 6.67 4.81 -1.96 1.43 114.58 125.94 1p2e h GLU 321 Ca -0.00 -0.31 -0.15 0.00 -0.13 0.00 0.00 59.36 58.77 1p2e h GLU 321 Cb 0.10 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1p2e h GLU 321 CO 0.01 0.91 -0.40 -0.09 -0.73 0.00 0.00 179.01 178.70 1p2e h ARG 322 N 0.45 0.76 0.34 1.92 2.43 -1.82 -1.68 114.38 116.78 1p2e h ARG 322 Ca 0.07 -0.45 -0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1p2e h ARG 322 Cb 0.72 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1p2e h ARG 322 CO 0.05 1.07 -0.31 0.28 -1.51 0.00 0.00 179.97 179.55 1p2e h VAL 323 N 0.50 0.35 -0.93 0.20 2.07 -0.62 -2.47 116.25 115.35 1p2e h VAL 323 Ca 0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.71 1p2e h VAL 323 Cb 1.00 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 1p2e h VAL 323 CO 0.09 0.00 0.60 0.00 0.02 0.00 0.00 177.57 178.28 1p2e h ALA 324 N -0.15 1.81 -0.33 1.67 0.00 0.21 -0.72 119.26 121.74 1p2e h ALA 324 Ca -0.02 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1p2e h ALA 324 Cb 0.61 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1p2e h ALA 324 CO -0.04 -0.09 0.10 -0.22 0.00 0.00 0.00 179.25 179.00 1p2e h LYS 325 N 0.71 0.23 0.07 0.00 3.64 -0.85 -2.73 116.57 117.63 1p2e h LYS 325 Ca 0.48 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 59.60 1p2e h LYS 325 Cb 0.79 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1p2e h LYS 325 CO -0.24 0.15 -1.04 -0.07 -2.27 0.00 0.00 179.45 175.98 1p2e h LEU 326 N 0.24 0.79 -7.26 5.20 3.38 -1.19 -3.42 115.31 113.04 1p2e h LEU 326 Ca 0.15 -0.80 -0.60 0.00 0.09 0.00 0.00 57.88 56.72 1p2e h LEU 326 Cb 0.14 -0.25 -0.40 0.00 0.09 0.00 0.00 40.66 40.24 1p2e h LEU 326 CO -0.17 1.50 -0.75 -0.62 0.09 0.00 0.00 178.44 178.50 1p2e s ASP 327 N -7.23 4.17 0.61 -0.43 -1.08 -0.31 -4.85 116.67 107.55 1p2e s ASP 327 Ca -0.11 -1.85 0.34 0.00 -0.52 0.00 0.00 52.55 50.42 1p2e s ASP 327 Cb 0.05 -1.06 1.98 0.00 -1.46 0.00 0.00 42.92 42.43 1p2e s ASP 327 CO 0.90 -0.39 2.27 -0.65 0.52 0.00 0.00 175.17 177.82 1p2e h PRO 328 N 7.86 0.00 0.00 4.34 0.11 -1.74 -2.15 132.00 140.42 1p2e h PRO 328 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1p2e h PRO 328 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1p2e h PRO 328 CO 0.49 0.01 0.00 0.66 -0.21 0.00 0.00 178.00 178.95 1p2e h SER 329 N 0.00 0.00 -0.10 -2.05 4.64 -1.94 -2.70 113.55 111.39 1p2e h SER 329 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p2e h SER 329 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1p2e h SER 329 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1p2e n LEU 330 N -2.98 2.47 -4.71 5.97 4.77 -0.81 -4.97 117.00 116.74 1p2e n LEU 330 Ca 0.01 -0.90 -0.42 0.00 -0.03 0.00 0.00 56.01 54.67 1p2e n LEU 330 Cb 0.29 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1p2e n LEU 330 CO 0.26 0.45 1.39 1.17 -1.33 0.00 0.00 177.39 179.33 1p2e n LYS 331 N 0.90 2.78 -0.33 3.23 4.81 -1.02 -2.04 118.16 126.49 1p2e n LYS 331 Ca 0.17 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.61 1p2e n LYS 331 Cb 0.50 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.69 1p2e n LYS 331 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1p2e n GLY 332 N 4.01 1.49 3.76 3.14 0.00 -1.26 -5.04 105.19 111.29 1p2e n GLY 332 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1p2e n GLY 332 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p2e s PHE 333 N -3.02 2.48 0.81 1.61 0.40 -0.87 -5.04 117.98 114.35 1p2e s PHE 333 Ca 0.00 1.52 -0.12 0.00 -0.60 0.00 0.00 56.93 57.73 1p2e s PHE 333 Cb 0.00 -3.45 0.08 0.00 0.51 0.00 0.00 43.02 40.16 1p2e s PHE 333 CO 0.00 -2.05 1.11 0.96 0.70 0.00 0.00 175.22 175.94 1p2e s ILE 334 N -1.62 2.88 0.13 0.64 -4.36 -1.26 -4.82 121.20 112.79 1p2e s ILE 334 Ca 0.75 0.29 0.06 0.00 -0.26 0.00 0.00 60.65 61.48 1p2e s ILE 334 Cb -0.29 -3.06 -0.04 0.00 1.25 0.00 0.00 42.46 40.32 1p2e s ILE 334 CO 0.32 -0.37 -0.13 -0.55 0.24 0.00 0.00 174.94 174.45 1p2e s SER 335 N -3.99 1.96 0.00 4.36 0.15 -1.26 -0.14 113.70 114.78 1p2e s SER 335 Ca 0.61 -0.84 0.28 0.00 0.70 0.00 0.00 55.95 56.70 1p2e s SER 335 Cb -0.14 -0.06 0.99 0.00 -1.71 0.00 0.00 66.02 65.10 1p2e s SER 335 CO 0.54 -0.17 1.72 0.35 1.20 0.00 0.00 173.24 176.87 1p2e n THR 336 N 0.43 0.00 -1.99 6.45 -2.24 -0.86 -4.86 114.28 111.20 1p2e n THR 336 Ca -0.15 -0.06 -0.29 0.00 -2.27 0.00 0.00 64.05 61.29 1p2e n THR 336 Cb 0.57 0.03 0.06 0.00 -2.10 0.00 0.00 70.33 68.89 1p2e n THR 336 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1p2e s ASN 337 N -2.64 5.12 0.70 3.42 0.02 -1.26 -4.85 114.94 115.45 1p2e s ASN 337 Ca 0.23 0.90 -0.13 0.00 -1.02 0.00 0.00 52.86 52.84 1p2e s ASN 337 Cb 0.19 -1.62 0.02 0.00 0.02 0.00 0.00 41.25 39.86 1p2e s ASN 337 CO 0.53 -1.50 1.09 0.00 0.02 0.00 0.00 177.10 177.24 1p2e s GLN 338 N -5.36 2.69 0.36 -0.60 1.03 -1.26 -4.94 119.66 111.57 1p2e s GLN 338 Ca 0.59 1.21 0.27 0.00 0.04 0.00 0.00 55.36 57.47 1p2e s GLN 338 Cb -0.11 -1.95 1.15 0.00 0.03 0.00 0.00 33.01 32.14 1p2e s GLN 338 CO 0.49 -1.32 1.80 -1.00 -2.54 0.00 0.00 175.29 172.73 1p2e h PRO 339 N -0.47 0.00 -0.55 9.60 0.13 -1.97 -2.92 132.00 135.81 1p2e h PRO 339 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1p2e h PRO 339 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1p2e h PRO 339 CO 0.54 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.72 1p2e n GLY 340 N -0.13 2.90 2.62 1.56 0.00 -1.26 -4.71 105.19 106.17 1p2e n GLY 340 Ca 0.01 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 1p2e n GLY 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2e n ALA 341 N 0.86 6.18 0.15 4.61 0.00 -1.11 -4.51 120.51 126.70 1p2e n ALA 341 Ca 0.23 -3.91 0.02 0.00 0.00 0.00 0.00 53.44 49.77 1p2e n ALA 341 Cb 0.78 -3.28 0.02 0.00 0.00 0.00 0.00 19.45 16.97 1p2e n ALA 341 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1p2e n VAL 342 N 3.90 0.13 -0.00 0.00 0.24 -1.18 -1.17 118.33 120.25 1p2e n VAL 342 Ca 0.57 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1p2e n VAL 342 Cb 0.33 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 1p2e n VAL 342 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1p2e n GLY 343 N 0.20 0.08 0.36 7.63 0.00 -1.10 -4.72 105.19 107.65 1p2e n GLY 343 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1p2e n GLY 343 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1p2e h ASP 344 N 0.00 0.35 0.17 1.61 2.03 -1.89 -0.80 116.42 117.90 1p2e h ASP 344 Ca 0.00 0.01 -0.02 0.00 -0.73 0.00 0.00 57.03 56.29 1p2e h ASP 344 Cb 0.00 -0.06 -0.00 0.00 -0.83 0.00 0.00 39.33 38.44 1p2e h ASP 344 CO 0.00 0.20 -0.09 1.23 -1.03 0.00 0.00 179.24 179.55 1p2e h GLY 345 N 0.38 0.00 1.11 7.15 0.00 -1.92 -1.79 103.07 108.01 1p2e h GLY 345 Ca 0.30 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.50 1p2e h GLY 345 CO -0.08 0.00 -0.17 1.41 0.00 0.00 0.00 176.54 177.70 1p2e h LEU 346 N 0.00 1.04 -0.63 3.11 3.38 -1.49 -1.99 115.31 118.73 1p2e h LEU 346 Ca -0.00 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1p2e h LEU 346 Cb 0.20 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1p2e h LEU 346 CO 0.01 1.18 0.27 0.44 0.09 0.00 0.00 178.44 180.42 1p2e h ASP 347 N 0.89 0.85 0.17 -0.43 3.32 -1.18 0.28 116.42 120.32 1p2e h ASP 347 Ca 0.12 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1p2e h ASP 347 Cb 0.75 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1p2e h ASP 347 CO 0.06 0.77 -0.12 0.58 -1.72 0.00 0.00 179.24 178.82 1p2e h VAL 348 N 0.87 0.75 -0.19 -1.35 2.07 -1.37 -0.23 116.25 116.80 1p2e h VAL 348 Ca 0.21 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.77 1p2e h VAL 348 Cb 0.18 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 1p2e h VAL 348 CO -0.02 0.00 -0.52 0.00 0.02 0.00 0.00 177.57 177.05 1p2e h ALA 349 N 0.54 -0.79 -0.54 1.67 0.00 -1.04 -1.33 119.26 117.76 1p2e h ALA 349 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1p2e h ALA 349 Cb 0.25 0.98 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1p2e h ALA 349 CO 0.00 -1.04 0.31 0.93 0.00 0.00 0.00 179.25 179.45 1p2e h GLU 350 N -0.53 0.58 -0.06 0.00 5.08 -0.32 -1.19 114.58 118.15 1p2e h GLU 350 Ca 0.05 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1p2e h GLU 350 Cb 0.66 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1p2e h GLU 350 CO -0.46 0.39 0.04 -0.91 -1.00 0.00 0.00 179.01 177.07 1p2e h ASN 351 N 0.60 0.00 0.45 1.42 2.35 -0.85 0.88 115.58 120.43 1p2e h ASN 351 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1p2e h ASN 351 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1p2e h ASN 351 CO -0.12 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.66 1p2e n ALA 352 N -2.54 2.27 0.00 -0.83 0.00 -0.52 -4.90 120.51 113.99 1p2e n ALA 352 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1p2e n ALA 352 Cb 0.15 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1p2e n ALA 352 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p2e n GLY 353 N 0.82 0.50 3.77 0.00 0.00 0.30 -5.07 105.19 105.51 1p2e n GLY 353 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1p2e n GLY 353 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p2e s GLY 354 N -1.06 2.83 0.22 -0.02 0.00 -0.51 -4.21 107.32 104.57 1p2e s GLY 354 Ca 0.00 1.03 0.06 0.00 0.00 0.00 0.00 44.72 45.81 1p2e s GLY 354 CO 0.00 1.53 0.21 0.00 0.00 0.00 0.00 173.10 174.84 1p2e s ALA 355 N -1.44 3.67 0.29 3.20 0.00 -0.37 -4.05 121.76 123.06 1p2e s ALA 355 Ca 0.62 -1.30 0.07 0.00 0.00 0.00 0.00 51.96 51.35 1p2e s ALA 355 Cb -0.32 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 1p2e s ALA 355 CO 0.39 0.34 0.23 -0.51 0.00 0.00 0.00 175.76 176.21 1p2e s LEU 356 N -3.60 3.68 -0.06 0.00 1.43 -1.26 -0.30 118.68 118.55 1p2e s LEU 356 Ca 0.33 -0.39 -0.31 0.00 -1.03 0.00 0.00 54.13 52.73 1p2e s LEU 356 Cb -0.09 -2.24 0.08 0.00 0.03 0.00 0.00 46.19 43.97 1p2e s LEU 356 CO 0.25 -0.18 0.74 -1.59 0.23 0.00 0.00 176.35 175.80 1p2e s LYS 357 N -3.90 0.98 -1.39 1.70 -2.85 -0.10 -4.86 119.74 109.31 1p2e s LYS 357 Ca 0.36 0.22 0.00 0.00 -1.00 0.00 0.00 55.97 55.55 1p2e s LYS 357 Cb -0.07 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 1p2e s LYS 357 CO 0.25 -0.31 0.00 -0.25 0.10 0.00 0.00 175.35 175.14 1p2e n ASP 358 N 0.84 -4.58 0.27 0.03 8.00 -1.26 -1.06 116.55 118.79 1p2e n ASP 358 Ca -0.17 0.32 0.11 0.00 0.71 0.00 0.00 54.79 55.75 1p2e n ASP 358 Cb 0.57 -3.26 0.75 0.00 -0.02 0.00 0.00 41.12 39.16 1p2e n ASP 358 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1p2e h MET 359 N 0.00 0.00 0.00 -1.24 2.86 -1.92 -1.59 114.93 113.05 1p2e h MET 359 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1p2e h MET 359 Cb 0.88 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1p2e h MET 359 CO 0.40 0.03 0.00 0.00 1.06 0.00 0.00 176.91 178.40 1p2e n GLN 360 N -4.15 0.01 -3.04 1.72 0.00 -1.26 -4.59 117.38 106.07 1p2e n GLN 360 Ca -0.03 0.18 -0.44 0.00 0.00 0.00 0.00 57.00 56.71 1p2e n GLN 360 Cb 0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 28.82 1p2e n GLN 360 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1p2e s TYR 361 N -2.98 2.97 -0.18 2.61 2.02 -0.60 -4.71 117.35 116.49 1p2e s TYR 361 Ca 0.09 -0.96 0.00 0.00 -0.37 0.00 0.00 57.07 55.84 1p2e s TYR 361 Cb 0.12 -4.10 0.01 0.00 -0.40 0.00 0.00 41.96 37.59 1p2e s TYR 361 CO 0.33 -1.38 -0.17 0.42 -1.57 0.00 0.00 175.55 173.18 1p2e s ILE 362 N 2.89 2.39 -0.08 2.71 1.01 -1.26 -1.73 121.20 127.13 1p2e s ILE 362 Ca 0.16 -0.84 -0.24 0.00 0.00 0.00 0.00 60.65 59.73 1p2e s ILE 362 Cb -0.20 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 1p2e s ILE 362 CO 0.05 0.52 0.74 -1.58 0.00 0.00 0.00 174.94 174.66 1p2e s GLN 363 N 1.16 4.43 -0.19 2.79 0.74 -0.76 -4.99 119.66 122.83 1p2e s GLN 363 Ca 0.01 0.93 -0.09 0.00 0.05 0.00 0.00 55.36 56.27 1p2e s GLN 363 Cb -0.14 -3.47 -0.05 0.00 1.10 0.00 0.00 33.01 30.46 1p2e s GLN 363 CO -0.07 0.00 0.09 0.00 -0.55 0.00 0.00 175.29 174.76 1p2e s ALA 364 N 1.00 3.54 0.09 1.58 0.00 -1.26 -0.62 121.76 126.10 1p2e s ALA 364 Ca 0.39 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 1p2e s ALA 364 Cb -0.18 -2.04 -0.06 0.00 0.00 0.00 0.00 23.12 20.84 1p2e s ALA 364 CO 0.18 0.17 1.04 -1.58 0.00 0.00 0.00 175.76 175.56 1p2e s HIS 365 N 0.37 3.66 0.29 0.00 2.46 0.15 -4.67 115.29 117.55 1p2e s HIS 365 Ca 0.05 1.65 0.06 0.00 0.47 0.00 0.00 55.06 57.29 1p2e s HIS 365 Cb -0.12 -3.18 0.42 0.00 -0.13 0.00 0.00 32.58 29.58 1p2e s HIS 365 CO -0.01 -0.28 1.68 -1.00 -2.47 0.00 0.00 174.74 172.67 1p2e h PRO 366 N 5.95 0.26 -3.17 2.88 0.13 -1.85 -0.61 132.00 135.59 1p2e h PRO 366 Ca -0.43 -0.13 -0.63 0.00 -0.87 0.00 0.00 66.00 63.95 1p2e h PRO 366 Cb 1.21 -0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.93 1p2e h PRO 366 CO 0.74 0.64 -0.65 0.95 -0.23 0.00 0.00 178.00 179.45 1p2e s THR 367 N -4.12 2.34 0.10 1.56 -4.23 -1.26 -2.38 115.64 107.65 1p2e s THR 367 Ca -0.05 -3.42 -0.09 0.00 -1.18 0.00 0.00 61.69 56.96 1p2e s THR 367 Cb 0.13 -2.60 -0.06 0.00 1.34 0.00 0.00 72.50 71.32 1p2e s THR 367 CO 0.78 -0.90 0.41 -0.76 -0.54 0.00 0.00 174.62 173.61 1p2e s LEU 368 N -0.48 4.33 -0.14 4.79 1.02 0.19 -0.81 118.68 127.57 1p2e s LEU 368 Ca 0.20 0.77 -0.29 0.00 0.02 0.00 0.00 54.13 54.83 1p2e s LEU 368 Cb -0.18 -3.08 -0.03 0.00 0.02 0.00 0.00 46.19 42.92 1p2e s LEU 368 CO -0.06 0.14 1.45 -0.55 0.02 0.00 0.00 176.35 177.35 1p2e s SER 369 N -1.90 6.75 0.11 2.29 0.15 0.12 0.03 113.70 121.26 1p2e s SER 369 Ca 0.35 1.85 -0.25 0.00 0.70 0.00 0.00 55.95 58.60 1p2e s SER 369 Cb -0.13 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.57 1p2e s SER 369 CO 0.19 -0.90 1.66 0.58 1.20 0.00 0.00 173.24 175.97 1p2e h VAL 370 N 5.64 0.56 0.53 4.45 2.07 -1.67 0.13 116.25 127.96 1p2e h VAL 370 Ca -0.32 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1p2e h VAL 370 Cb 1.14 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1p2e h VAL 370 CO 0.97 0.00 -0.51 0.50 0.02 0.00 0.00 177.57 178.55 1p2e h LYS 371 N -0.32 -0.99 -0.00 1.57 3.64 -1.90 -3.24 116.57 115.31 1p2e h LYS 371 Ca 0.05 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1p2e h LYS 371 Cb 0.38 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1p2e h LYS 371 CO -0.15 -0.66 -0.23 0.41 -2.27 0.00 0.00 179.45 176.54 1p2e n GLY 372 N -1.57 -0.95 2.60 5.01 0.00 -1.20 -4.95 105.19 104.13 1p2e n GLY 372 Ca -0.12 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 1p2e n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2e n GLY 373 N 1.37 1.26 3.39 -0.02 0.00 0.44 -4.84 105.19 106.79 1p2e n GLY 373 Ca 0.11 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1p2e n GLY 373 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p2e s VAL 374 N -2.23 2.25 0.26 1.61 -7.23 -1.26 -4.84 120.40 108.97 1p2e s VAL 374 Ca 0.00 -1.76 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 1p2e s VAL 374 Cb 0.00 -1.99 -0.13 0.00 0.56 0.00 0.00 36.38 34.81 1p2e s VAL 374 CO 0.00 0.08 1.33 0.80 -0.31 0.00 0.00 175.10 177.00 1p2e n MET 375 N 0.89 1.93 -3.81 4.82 0.00 -1.26 0.13 117.12 119.83 1p2e n MET 375 Ca -0.18 0.69 -0.36 0.00 -0.00 0.00 0.00 57.70 57.84 1p2e n MET 375 Cb 0.53 -2.29 -0.13 0.00 0.00 0.00 0.00 33.22 31.33 1p2e n MET 375 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1p2e s VAL 376 N -0.40 3.83 0.33 1.12 1.01 0.01 -4.80 120.40 121.50 1p2e s VAL 376 Ca 0.65 -0.55 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 1p2e s VAL 376 Cb -0.65 -2.88 -0.13 0.00 0.00 0.00 0.00 36.38 32.72 1p2e s VAL 376 CO 0.54 0.23 1.00 1.07 0.00 0.00 0.00 175.10 177.94 1p2e n THR 377 N 4.85 2.09 0.29 3.92 5.66 -1.26 -4.73 114.28 125.10 1p2e n THR 377 Ca -0.16 -0.50 0.18 0.00 -3.05 0.00 0.00 64.05 60.52 1p2e n THR 377 Cb 0.49 -1.06 0.91 0.00 -1.55 0.00 0.00 70.33 69.13 1p2e n THR 377 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1p2e h GLU 378 N 1.85 0.00 0.00 1.09 4.81 -1.97 -1.32 114.58 119.04 1p2e h GLU 378 Ca -0.41 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 1p2e h GLU 378 Cb 1.34 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 1p2e h GLU 378 CO 0.59 0.00 -0.06 0.00 -0.73 0.00 0.00 179.01 178.81 1p2e h ALA 379 N 2.02 1.30 -0.76 2.92 0.00 -1.88 -0.35 119.26 122.51 1p2e h ALA 379 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1p2e h ALA 379 Cb 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1p2e h ALA 379 CO 0.00 0.07 0.47 0.28 0.00 0.00 0.00 179.25 180.07 1p2e h VAL 380 N 0.00 1.07 0.16 0.00 2.07 -1.59 0.77 116.25 118.73 1p2e h VAL 380 Ca -0.00 -0.31 -0.30 0.00 0.82 0.00 0.00 66.70 66.91 1p2e h VAL 380 Cb 0.19 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1p2e h VAL 380 CO 0.01 0.16 -1.40 0.03 0.02 0.00 0.00 177.57 176.39 1p2e h ARG 381 N 0.89 0.34 -0.94 1.57 3.08 -1.27 -1.58 114.38 116.48 1p2e h ARG 381 Ca 0.32 -0.59 0.10 0.00 0.07 0.00 0.00 59.98 59.87 1p2e h ARG 381 Cb 0.08 0.22 -0.07 0.00 0.08 0.00 0.00 29.97 30.28 1p2e h ARG 381 CO -0.14 1.26 0.60 0.78 -1.07 0.00 0.00 179.97 181.41 1p2e h GLY 382 N 1.19 1.41 1.23 0.04 0.00 -1.18 0.63 103.07 106.40 1p2e h GLY 382 Ca -0.20 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1p2e h GLY 382 CO 0.21 0.22 -0.03 0.70 0.00 0.00 0.00 176.54 177.65 1p2e n ASN 383 N -4.54 0.15 0.00 0.19 4.13 0.25 -4.63 115.26 110.81 1p2e n ASN 383 Ca 0.16 -0.48 0.00 0.00 1.68 0.00 0.00 54.58 55.94 1p2e n ASN 383 Cb 0.29 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.37 1p2e n ASN 383 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p2e n GLY 384 N 1.22 0.23 3.72 7.41 0.00 0.20 -4.59 105.19 113.38 1p2e n GLY 384 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1p2e n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2e s ALA 385 N -0.18 1.90 0.46 4.61 0.00 -0.60 -4.86 121.76 123.09 1p2e s ALA 385 Ca 0.00 0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.48 1p2e s ALA 385 Cb 0.00 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1p2e s ALA 385 CO 0.00 -2.21 0.25 0.96 0.00 0.00 0.00 175.76 174.77 1p2e s ILE 386 N -2.72 2.06 -0.10 0.00 -4.36 -0.61 -4.59 121.20 110.87 1p2e s ILE 386 Ca 0.65 -1.62 0.01 0.00 -0.26 0.00 0.00 60.65 59.43 1p2e s ILE 386 Cb -0.20 -2.68 -0.02 0.00 1.25 0.00 0.00 42.46 40.81 1p2e s ILE 386 CO 0.56 0.00 -0.15 -0.76 0.24 0.00 0.00 174.94 174.83 1p2e s LEU 387 N -4.04 2.64 0.07 0.37 1.43 -1.26 -0.91 118.68 116.98 1p2e s LEU 387 Ca 0.37 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 53.20 1p2e s LEU 387 Cb 0.01 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 1p2e s LEU 387 CO 0.21 0.21 -0.15 0.68 0.23 0.00 0.00 176.35 177.54 1p2e s VAL 388 N 0.05 1.16 0.33 -1.59 -7.23 -0.72 -4.17 120.40 108.23 1p2e s VAL 388 Ca -0.06 -1.25 -0.02 0.00 -1.81 0.00 0.00 61.98 58.84 1p2e s VAL 388 Cb -0.15 -1.10 0.07 0.00 0.56 0.00 0.00 36.38 35.77 1p2e s VAL 388 CO 0.05 -0.16 0.45 -0.46 -0.31 0.00 0.00 175.10 174.67 1p2e n ASN 389 N 1.41 0.38 0.22 4.85 0.23 -0.36 -1.32 115.26 120.67 1p2e n ASN 389 Ca -0.20 -1.38 0.08 0.00 -0.53 0.00 0.00 54.58 52.55 1p2e n ASN 389 Cb 0.54 -0.31 0.50 0.00 -2.08 0.00 0.00 39.78 38.43 1p2e n ASN 389 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1p2e h ARG 390 N 0.00 0.00 0.00 -3.83 3.08 -1.85 -0.99 114.38 110.78 1p2e h ARG 390 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1p2e h ARG 390 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1p2e h ARG 390 CO 0.14 0.26 0.00 0.39 -1.07 0.00 0.00 179.97 179.69 1p2e n GLU 391 N -3.72 0.81 -1.30 0.04 4.71 -1.26 -2.48 120.64 117.44 1p2e n GLU 391 Ca -0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.05 1p2e n GLU 391 Cb 0.37 -1.01 -0.04 0.00 -1.01 0.00 0.00 31.44 29.75 1p2e n GLU 391 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1p2e n GLY 392 N 0.31 1.04 3.56 0.62 0.00 -0.38 -4.60 105.19 105.75 1p2e n GLY 392 Ca 0.00 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 1p2e n GLY 392 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p2e s LYS 393 N -2.83 2.00 0.57 1.61 1.02 -1.26 -3.17 119.74 117.68 1p2e s LYS 393 Ca 0.00 -1.48 -0.16 0.00 0.02 0.00 0.00 55.97 54.34 1p2e s LYS 393 Cb 0.00 -2.03 -0.05 0.00 -0.52 0.00 0.00 37.83 35.23 1p2e s LYS 393 CO 0.00 0.38 1.04 1.03 -0.92 0.00 0.00 175.35 176.88 1p2e s ARG 394 N -3.33 3.50 0.00 1.68 0.52 -1.26 -1.22 118.95 118.84 1p2e s ARG 394 Ca 0.28 1.16 0.00 0.00 -0.52 0.00 0.00 55.73 56.65 1p2e s ARG 394 Cb -0.07 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.34 1p2e s ARG 394 CO 0.17 -0.66 0.06 1.97 0.02 0.00 0.00 175.30 176.86 1p2e n PHE 395 N -1.85 0.00 -3.51 -0.53 1.16 -1.26 -4.87 117.46 106.60 1p2e n PHE 395 Ca 0.08 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.56 1p2e n PHE 395 Cb 0.53 0.02 -0.03 0.00 -1.61 0.00 0.00 39.48 38.39 1p2e n PHE 395 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1p2e s VAL 396 N 0.00 0.00 -0.17 1.97 0.11 -1.26 -5.03 120.40 116.02 1p2e s VAL 396 Ca 0.00 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 1p2e s VAL 396 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1p2e s VAL 396 CO 0.00 0.00 1.46 0.21 -3.33 0.00 0.00 175.10 173.44 1p2e s ASN 397 N -2.08 6.69 0.45 3.54 2.47 -1.26 -4.87 114.94 119.88 1p2e s ASN 397 Ca 0.01 1.74 0.30 0.00 0.42 0.00 0.00 52.86 55.34 1p2e s ASN 397 Cb -0.01 -2.54 1.32 0.00 -1.45 0.00 0.00 41.25 38.57 1p2e s ASN 397 CO -0.05 -0.97 1.91 -0.33 -3.72 0.00 0.00 177.10 173.93 1p2e h GLU 398 N 9.33 0.00 -0.52 0.43 3.07 -1.93 -2.71 114.58 122.24 1p2e h GLU 398 Ca -0.31 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.25 1p2e h GLU 398 Cb 1.13 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.86 1p2e h GLU 398 CO 0.98 0.00 0.00 0.44 -1.40 0.00 0.00 179.01 179.04 1p2e n ILE 399 N -2.74 2.72 -2.02 3.13 -5.35 -1.26 -4.91 119.36 108.93 1p2e n ILE 399 Ca 0.01 -2.83 -0.29 0.00 -0.27 0.00 0.00 62.75 59.37 1p2e n ILE 399 Cb 0.24 -0.49 0.14 0.00 -1.74 0.00 0.00 39.64 37.80 1p2e n ILE 399 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1p2e s THR 400 N -3.52 2.04 0.80 7.28 -1.32 -1.03 -3.26 115.64 116.63 1p2e s THR 400 Ca 0.48 -0.09 -0.11 0.00 -1.21 0.00 0.00 61.69 60.77 1p2e s THR 400 Cb 0.43 -2.95 0.07 0.00 -1.51 0.00 0.00 72.50 68.53 1p2e s THR 400 CO 0.01 0.00 1.10 0.42 -2.21 0.00 0.00 174.62 173.94 1p2e s THR 401 N -3.67 3.13 0.22 5.08 -4.23 -1.26 -4.68 115.64 110.23 1p2e s THR 401 Ca 0.69 0.37 -0.07 0.00 -1.18 0.00 0.00 61.69 61.49 1p2e s THR 401 Cb -0.07 -2.81 0.18 0.00 1.34 0.00 0.00 72.50 71.14 1p2e s THR 401 CO 0.50 -0.48 1.80 0.03 -0.54 0.00 0.00 174.62 175.94 1p2e h ARG 402 N -1.25 1.22 -0.06 3.99 3.08 -1.91 -0.49 114.38 118.96 1p2e h ARG 402 Ca -0.44 -0.20 0.03 0.00 0.07 0.00 0.00 59.98 59.44 1p2e h ARG 402 Cb 1.24 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 1p2e h ARG 402 CO 0.51 0.95 -0.15 0.38 -1.07 0.00 0.00 179.97 180.60 1p2e h ASP 403 N 1.20 -0.44 -0.34 7.04 2.03 -1.92 0.14 116.42 124.14 1p2e h ASP 403 Ca 0.28 0.07 -0.07 0.00 -0.73 0.00 0.00 57.03 56.59 1p2e h ASP 403 Cb 0.15 0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.84 1p2e h ASP 403 CO -0.03 -0.20 -0.06 0.11 -1.03 0.00 0.00 179.24 178.03 1p2e h LYS 404 N -0.21 0.64 -0.30 4.15 1.57 -1.82 -1.64 116.57 118.96 1p2e h LYS 404 Ca 0.07 -0.24 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 1p2e h LYS 404 Cb 0.31 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1p2e h LYS 404 CO -0.19 0.80 -0.38 0.00 -0.57 0.00 0.00 179.45 179.11 1p2e h ALA 405 N 0.82 0.78 -0.64 3.86 0.00 -1.00 -0.02 119.26 123.06 1p2e h ALA 405 Ca 0.09 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1p2e h ALA 405 Cb 0.55 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1p2e h ALA 405 CO 0.03 0.65 0.06 0.77 0.00 0.00 0.00 179.25 180.76 1p2e h SER 406 N 0.57 1.05 -0.33 0.00 0.02 -0.61 -2.24 113.55 112.01 1p2e h SER 406 Ca 0.05 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 1p2e h SER 406 Cb 0.91 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1p2e h SER 406 CO 0.08 1.08 0.03 0.00 -1.14 0.00 0.00 176.83 176.87 1p2e h ALA 407 N 1.02 0.44 -0.74 3.77 0.00 -0.78 -1.27 119.26 121.69 1p2e h ALA 407 Ca 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1p2e h ALA 407 Cb 0.50 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1p2e h ALA 407 CO 0.02 0.17 0.37 0.00 0.00 0.00 0.00 179.25 179.81 1p2e h ALA 408 N 0.87 1.25 -0.28 0.00 0.00 -0.91 -2.00 119.26 118.19 1p2e h ALA 408 Ca 0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1p2e h ALA 408 Cb 0.40 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1p2e h ALA 408 CO 0.01 0.58 0.00 0.82 0.00 0.00 0.00 179.25 180.66 1p2e h ILE 409 N 1.05 1.26 0.00 0.00 2.04 -1.34 -2.21 117.51 118.30 1p2e h ILE 409 Ca 0.26 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 1p2e h ILE 409 Cb 0.09 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1p2e h ILE 409 CO -0.03 0.30 -0.15 -0.07 0.00 0.00 0.00 178.15 178.19 1p2e h LEU 410 N 0.28 0.00 0.00 1.44 3.38 -0.90 -1.95 115.31 117.55 1p2e h LEU 410 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1p2e h LEU 410 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1p2e h LEU 410 CO 0.01 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1p2e n ALA 411 N -2.42 2.10 -1.96 1.53 0.00 -0.78 -4.30 120.51 114.68 1p2e n ALA 411 Ca -0.02 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 1p2e n ALA 411 Cb 0.23 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.33 1p2e n ALA 411 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1p2e s GLN 412 N -2.69 3.55 -0.14 0.00 -1.52 -0.73 -4.91 119.66 113.22 1p2e s GLN 412 Ca 0.18 0.61 -0.33 0.00 -1.95 0.00 0.00 55.36 53.87 1p2e s GLN 412 Cb 0.15 -2.14 -0.10 0.00 -0.22 0.00 0.00 33.01 30.69 1p2e s GLN 412 CO 0.35 -0.51 2.02 2.41 -0.25 0.00 0.00 175.29 179.30 1p2e n THR 413 N -2.65 0.50 0.00 -0.19 -1.04 -1.26 -0.91 114.28 108.73 1p2e n THR 413 Ca 0.05 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1p2e n THR 413 Cb 0.54 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 1p2e n THR 413 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1p2e n GLY 414 N 5.05 1.04 2.19 3.41 0.00 -1.26 -4.22 105.19 111.40 1p2e n GLY 414 Ca 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 1p2e n GLY 414 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p2e n LYS 415 N -2.00 -0.52 -4.11 1.61 5.02 -0.08 -4.98 118.16 113.10 1p2e n LYS 415 Ca 0.00 0.66 -0.13 0.00 -2.02 0.00 0.00 58.31 56.82 1p2e n LYS 415 Cb 0.00 -4.48 -0.06 0.00 -0.02 0.00 0.00 35.03 30.47 1p2e n LYS 415 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1p2e s SER 416 N -2.87 0.48 0.31 4.39 1.04 -1.24 -4.51 113.70 111.31 1p2e s SER 416 Ca 0.00 -1.32 -0.04 0.00 0.48 0.00 0.00 55.95 55.07 1p2e s SER 416 Cb 0.00 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 1p2e s SER 416 CO 0.00 -1.11 0.42 0.00 0.98 0.00 0.00 173.24 173.53 1p2e s ALA 417 N -3.66 0.70 -0.11 5.32 0.00 -0.78 -4.65 121.76 118.58 1p2e s ALA 417 Ca 0.31 -1.46 0.03 0.00 0.00 0.00 0.00 51.96 50.84 1p2e s ALA 417 Cb 0.02 1.19 0.01 0.00 0.00 0.00 0.00 23.12 24.34 1p2e s ALA 417 CO 0.15 -0.77 -0.19 0.71 0.00 0.00 0.00 175.76 175.66 1p2e s TYR 418 N -3.41 2.27 0.27 0.00 1.51 -0.44 -1.07 117.35 116.48 1p2e s TYR 418 Ca 0.31 -1.02 -0.29 0.00 -1.01 0.00 0.00 57.07 55.06 1p2e s TYR 418 Cb 0.01 -1.57 -0.09 0.00 -0.11 0.00 0.00 41.96 40.20 1p2e s TYR 418 CO 0.18 -0.46 1.03 -0.51 -1.11 0.00 0.00 175.55 174.67 1p2e s LEU 419 N 0.69 4.57 -0.08 -1.29 1.43 0.41 -1.76 118.68 122.64 1p2e s LEU 419 Ca -0.12 2.13 0.02 0.00 -1.03 0.00 0.00 54.13 55.13 1p2e s LEU 419 Cb -0.16 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.42 1p2e s LEU 419 CO 0.03 -0.04 -0.14 -0.63 0.23 0.00 0.00 176.35 175.79 1p2e s ILE 420 N -1.20 1.31 0.38 -0.59 -1.09 -0.09 -0.97 121.20 118.95 1p2e s ILE 420 Ca 0.44 -0.57 -0.14 0.00 -2.23 0.00 0.00 60.65 58.15 1p2e s ILE 420 Cb -0.29 -1.19 0.05 0.00 -1.58 0.00 0.00 42.46 39.45 1p2e s ILE 420 CO 0.37 0.40 0.74 0.72 -1.23 0.00 0.00 174.94 175.94 1p2e s PHE 421 N 0.72 0.24 0.00 3.97 -0.71 -0.67 -1.58 117.98 119.94 1p2e s PHE 421 Ca -0.13 -0.85 0.00 0.00 -1.04 0.00 0.00 56.93 54.91 1p2e s PHE 421 Cb -0.16 0.71 0.00 0.00 -1.21 0.00 0.00 43.02 42.36 1p2e s PHE 421 CO 0.03 -1.50 0.00 -0.40 -1.34 0.00 0.00 175.22 172.01 1p2e n ASP 422 N -1.37 1.66 0.16 1.98 5.75 -1.26 -0.80 116.55 122.66 1p2e n ASP 422 Ca -0.07 -0.92 0.02 0.00 -0.01 0.00 0.00 54.79 53.81 1p2e n ASP 422 Cb 0.60 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.92 1p2e n ASP 422 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1p2e h ASP 423 N 0.00 0.00 -0.94 -1.12 3.32 -0.08 -1.87 116.42 115.73 1p2e h ASP 423 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1p2e h ASP 423 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1p2e h ASP 423 CO 0.00 0.50 0.55 0.77 -1.72 0.00 0.00 179.24 179.35 1p2e h SER 424 N 0.00 1.13 -0.26 6.45 4.64 -1.90 -1.52 113.55 122.10 1p2e h SER 424 Ca -0.01 -0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 61.14 1p2e h SER 424 Cb 1.05 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1p2e h SER 424 CO 0.07 0.88 -0.23 0.58 -0.87 0.00 0.00 176.83 177.26 1p2e h VAL 425 N 1.29 1.31 -0.05 0.95 2.07 -1.81 -2.38 116.25 117.64 1p2e h VAL 425 Ca 0.33 -1.38 0.03 0.00 0.82 0.00 0.00 66.70 66.50 1p2e h VAL 425 Cb -0.04 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 1p2e h VAL 425 CO -0.06 0.43 -0.48 -0.09 0.02 0.00 0.00 177.57 177.39 1p2e h ARG 426 N 0.33 -0.57 -0.14 1.57 2.43 -1.10 -1.40 114.38 115.49 1p2e h ARG 426 Ca 0.04 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1p2e h ARG 426 Cb 0.78 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1p2e h ARG 426 CO 0.06 -0.38 0.01 0.87 -1.51 0.00 0.00 179.97 179.02 1p2e h LYS 427 N -0.60 0.19 0.00 0.20 1.57 -1.34 -0.98 116.57 115.62 1p2e h LYS 427 Ca 0.04 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1p2e h LYS 427 Cb 0.68 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1p2e h LYS 427 CO -0.37 0.20 0.00 0.66 -0.57 0.00 0.00 179.45 179.37 1p2e h SER 428 N 0.19 0.00 -2.75 0.86 4.64 -0.71 -3.41 113.55 112.36 1p2e h SER 428 Ca 0.05 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.82 1p2e h SER 428 Cb 0.11 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.81 1p2e h SER 428 CO 0.00 0.00 -0.80 -0.22 -0.87 0.00 0.00 176.83 174.94 1p2e s LEU 429 N -4.82 0.77 0.52 5.97 2.96 -0.37 -4.48 118.68 119.23 1p2e s LEU 429 Ca 0.06 -1.60 0.23 0.00 -0.22 0.00 0.00 54.13 52.60 1p2e s LEU 429 Cb 0.10 -0.39 1.35 0.00 0.50 0.00 0.00 46.19 47.74 1p2e s LEU 429 CO 0.48 -0.40 2.02 0.77 -1.32 0.00 0.00 176.35 177.91 1p2e h SER 430 N 7.95 0.02 -1.27 3.68 4.64 -0.99 -1.73 113.55 125.85 1p2e h SER 430 Ca -0.12 0.00 0.38 0.00 -0.47 0.00 0.00 61.79 61.58 1p2e h SER 430 Cb 1.00 -0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.99 1p2e h SER 430 CO 0.39 0.01 0.85 0.50 -0.87 0.00 0.00 176.83 177.72 1p2e h LYS 431 N 0.03 0.15 -0.47 4.77 1.63 -1.80 0.46 116.57 121.32 1p2e h LYS 431 Ca 0.21 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.97 1p2e h LYS 431 Cb 0.79 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.37 1p2e h LYS 431 CO -0.01 0.10 0.16 0.82 -3.45 0.00 0.00 179.45 177.07 1p2e h ILE 432 N 0.15 1.19 0.00 2.00 2.04 -1.60 0.33 117.51 121.62 1p2e h ILE 432 Ca 0.71 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1p2e h ILE 432 Cb 2.30 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1p2e h ILE 432 CO -0.25 0.24 0.00 0.44 0.00 0.00 0.00 178.15 178.58 1p2e h ASP 433 N 0.68 0.00 0.12 1.72 3.32 -0.26 -0.44 116.42 121.56 1p2e h ASP 433 Ca 0.16 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 1p2e h ASP 433 Cb 0.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1p2e h ASP 433 CO -0.01 0.00 -0.56 0.11 -1.72 0.00 0.00 179.24 177.06 1p2e h LYS 434 N 0.00 0.46 -0.04 3.56 1.79 -0.46 -2.11 116.57 119.77 1p2e h LYS 434 Ca 0.00 -0.30 -0.22 0.00 -2.18 0.00 0.00 60.65 57.95 1p2e h LYS 434 Cb 0.21 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1p2e h LYS 434 CO 0.00 0.90 -0.89 1.88 -1.08 0.00 0.00 179.45 180.26 1p2e h TYR 435 N 0.36 0.73 -0.57 -1.35 0.05 -1.10 -0.95 116.97 114.14 1p2e h TYR 435 Ca 0.00 -0.37 0.01 0.00 0.05 0.00 0.00 58.73 58.43 1p2e h TYR 435 Cb 1.09 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.70 1p2e h TYR 435 CO 0.04 1.18 0.37 0.82 -1.05 0.00 0.00 178.16 179.52 1p2e h ILE 436 N 0.31 1.12 -0.09 -2.88 2.04 -1.48 -2.26 117.51 114.28 1p2e h ILE 436 Ca -0.07 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 1p2e h ILE 436 Cb 1.51 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1p2e h ILE 436 CO 0.16 0.14 -0.21 1.23 0.00 0.00 0.00 178.15 179.47 1p2e h GLY 437 N 0.75 0.16 2.00 5.37 0.00 -1.22 -2.60 103.07 107.54 1p2e h GLY 437 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1p2e h GLY 437 CO -0.06 0.10 0.00 -0.10 0.00 0.00 0.00 176.54 176.48 1p2e n LEU 438 N -4.23 0.05 0.00 3.11 7.94 -0.37 -4.90 117.00 118.60 1p2e n LEU 438 Ca -0.01 0.51 0.00 0.00 -1.11 0.00 0.00 56.01 55.40 1p2e n LEU 438 Cb 0.31 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.76 1p2e n LEU 438 CO 0.38 -0.19 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 1p2e n GLY 439 N 0.50 0.56 0.99 -3.96 0.00 -0.98 -4.99 105.19 97.31 1p2e n GLY 439 Ca 0.05 -0.58 0.10 0.00 0.00 0.00 0.00 46.02 45.58 1p2e n GLY 439 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1p2e n VAL 440 N -2.76 0.53 -3.51 1.61 0.24 -0.96 -4.71 118.33 108.78 1p2e n VAL 440 Ca 0.00 -0.77 -0.27 0.00 -2.04 0.00 0.00 64.34 61.27 1p2e n VAL 440 Cb 0.00 0.93 -0.09 0.00 -1.47 0.00 0.00 33.84 33.21 1p2e n VAL 440 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p2e n ALA 441 N 1.24 3.38 -1.51 2.33 0.00 -1.25 -4.43 120.51 120.28 1p2e n ALA 441 Ca 0.17 -4.18 -0.38 0.00 0.00 0.00 0.00 53.44 49.04 1p2e n ALA 441 Cb 0.54 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 19.13 1p2e n ALA 441 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1p2e n PRO 442 N 1.59 0.63 -4.13 0.00 -0.02 -1.15 -4.65 135.00 127.26 1p2e n PRO 442 Ca 0.25 0.24 -0.09 0.00 -2.02 0.00 0.00 63.50 61.89 1p2e n PRO 442 Cb 0.43 -1.81 -0.10 0.00 -0.02 0.00 0.00 33.50 32.00 1p2e n PRO 442 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1p2e s THR 443 N -1.64 0.41 0.03 3.45 -1.32 -1.26 -1.45 115.64 113.85 1p2e s THR 443 Ca 0.70 -1.87 -0.28 0.00 -1.21 0.00 0.00 61.69 59.03 1p2e s THR 443 Cb -0.45 -1.64 0.10 0.00 -1.51 0.00 0.00 72.50 69.00 1p2e s THR 443 CO 0.53 -0.90 0.84 0.00 -2.21 0.00 0.00 174.62 172.87 1p2e s ALA 444 N -3.81 -1.78 -1.86 11.08 0.00 -0.94 -4.89 121.76 119.56 1p2e s ALA 444 Ca 0.11 0.92 0.07 0.00 0.00 0.00 0.00 51.96 53.05 1p2e s ALA 444 Cb 0.07 0.50 0.20 0.00 0.00 0.00 0.00 23.12 23.89 1p2e s ALA 444 CO -0.07 -0.70 1.13 -0.40 0.00 0.00 0.00 175.76 175.72 1p2e n ASP 445 N -0.27 1.33 -3.64 0.00 5.68 -1.26 -0.72 116.55 117.67 1p2e n ASP 445 Ca -0.10 -2.03 -0.15 0.00 -0.50 0.00 0.00 54.79 52.01 1p2e n ASP 445 Cb 0.62 -0.20 -0.08 0.00 -1.14 0.00 0.00 41.12 40.33 1p2e n ASP 445 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1p2e s SER 446 N -0.91 -0.53 0.43 -1.12 1.04 -1.26 -4.84 113.70 106.51 1p2e s SER 446 Ca 0.15 0.79 0.12 0.00 0.48 0.00 0.00 55.95 57.48 1p2e s SER 446 Cb 0.08 0.78 0.94 0.00 0.10 0.00 0.00 66.02 67.93 1p2e s SER 446 CO 0.09 -0.39 2.00 -0.07 0.98 0.00 0.00 173.24 175.85 1p2e h LEU 447 N 4.22 0.15 0.28 2.42 3.38 -1.91 -0.08 115.31 123.76 1p2e h LEU 447 Ca -0.28 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1p2e h LEU 447 Cb 1.16 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 1p2e h LEU 447 CO 0.28 0.25 -0.35 0.58 0.09 0.00 0.00 178.44 179.29 1p2e h VAL 448 N 0.16 0.28 -0.47 1.22 2.07 -1.96 0.27 116.25 117.81 1p2e h VAL 448 Ca 0.04 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 1p2e h VAL 448 Cb 0.24 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1p2e h VAL 448 CO 0.01 0.00 0.07 0.11 0.02 0.00 0.00 177.57 177.79 1p2e h LYS 449 N -0.68 0.78 -0.59 1.57 1.57 -1.84 -2.61 116.57 114.76 1p2e h LYS 449 Ca -0.01 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1p2e h LYS 449 Cb 0.64 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 1p2e h LYS 449 CO -0.11 0.79 0.29 1.25 -0.57 0.00 0.00 179.45 181.10 1p2e h LEU 450 N 0.65 0.39 -1.52 2.94 6.46 -0.71 -1.22 115.31 122.29 1p2e h LEU 450 Ca 0.14 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.89 1p2e h LEU 450 Cb 0.39 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1p2e h LEU 450 CO 0.01 0.25 -0.24 1.23 -0.62 0.00 0.00 178.44 179.07 1p2e h GLY 451 N 0.54 0.00 1.06 3.75 0.00 -0.42 -1.97 103.07 106.03 1p2e h GLY 451 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.48 1p2e h GLY 451 CO -0.21 0.00 -0.21 1.70 0.00 0.00 0.00 176.54 177.82 1p2e h LYS 452 N 0.00 0.91 -0.49 4.80 1.63 -0.91 0.24 116.57 122.75 1p2e h LYS 452 Ca -0.00 -0.40 0.01 0.00 -0.85 0.00 0.00 60.65 59.41 1p2e h LYS 452 Cb 0.44 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 1p2e h LYS 452 CO 0.03 1.05 0.32 0.52 -3.45 0.00 0.00 179.45 177.92 1p2e h MET 453 N 0.73 0.64 -0.31 1.90 2.86 -0.75 -3.26 114.93 116.74 1p2e h MET 453 Ca 0.10 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1p2e h MET 453 Cb 0.78 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1p2e h MET 453 CO 0.06 0.42 0.00 0.39 1.06 0.00 0.00 176.91 178.84 1p2e n GLU 454 N -4.75 2.48 -1.55 1.72 -0.58 -0.79 -4.96 120.64 112.21 1p2e n GLU 454 Ca 0.02 -2.22 0.00 0.00 -0.42 0.00 0.00 57.16 54.54 1p2e n GLU 454 Cb 0.03 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 1p2e n GLU 454 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p2e n GLY 455 N 1.48 0.38 3.72 0.62 0.00 -0.53 -5.05 105.19 105.81 1p2e n GLY 455 Ca 0.18 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1p2e n GLY 455 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p2e s ILE 456 N -2.00 4.42 -0.24 -0.61 1.01 -0.04 -4.83 121.20 118.90 1p2e s ILE 456 Ca 0.00 -0.45 -0.28 0.00 0.00 0.00 0.00 60.65 59.92 1p2e s ILE 456 Cb 0.00 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 1p2e s ILE 456 CO 0.00 0.42 2.10 -0.62 0.00 0.00 0.00 174.94 176.84 1p2e s ASP 457 N -1.48 5.59 0.17 3.58 -1.08 -1.03 -4.12 116.67 118.29 1p2e s ASP 457 Ca 0.19 1.75 -0.12 0.00 -0.52 0.00 0.00 52.55 53.86 1p2e s ASP 457 Cb -0.12 -2.51 0.06 0.00 -1.46 0.00 0.00 42.92 38.89 1p2e s ASP 457 CO 0.10 -1.88 1.68 1.23 0.52 0.00 0.00 175.17 176.82 1p2e h GLY 458 N 14.62 0.99 1.99 2.66 0.00 -1.86 0.10 103.07 121.58 1p2e h GLY 458 Ca -0.39 -0.62 -0.20 0.00 0.00 0.00 0.00 47.33 46.12 1p2e h GLY 458 CO 0.98 0.58 -0.94 0.07 0.00 0.00 0.00 176.54 177.22 1p2e h LYS 459 N 0.83 0.01 0.01 4.80 5.09 -1.91 -2.31 116.57 123.08 1p2e h LYS 459 Ca 0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 60.65 60.91 1p2e h LYS 459 Cb 0.34 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.68 1p2e h LYS 459 CO 0.00 0.94 -0.00 0.00 -2.09 0.00 0.00 179.45 178.30 1p2e h ALA 460 N 1.06 -0.01 -0.69 0.07 0.00 -1.80 -2.39 119.26 115.49 1p2e h ALA 460 Ca -0.01 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.87 1p2e h ALA 460 Cb 1.66 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.35 1p2e h ALA 460 CO 0.12 -0.34 0.13 1.25 0.00 0.00 0.00 179.25 180.42 1p2e h LEU 461 N -0.36 -0.05 -0.64 0.00 5.85 -0.75 0.18 115.31 119.54 1p2e h LEU 461 Ca -0.00 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1p2e h LEU 461 Cb 0.35 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1p2e h LEU 461 CO 0.00 -0.05 0.35 0.74 -0.34 0.00 0.00 178.44 179.14 1p2e h THR 462 N 0.24 1.20 0.00 1.05 2.02 -1.28 -1.63 112.91 114.51 1p2e h THR 462 Ca 0.38 -0.52 -0.15 0.00 0.77 0.00 0.00 66.41 66.89 1p2e h THR 462 Cb 0.64 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1p2e h THR 462 CO -0.50 0.22 -0.71 -0.33 0.37 0.00 0.00 175.52 174.57 1p2e h GLU 463 N 0.87 0.00 -0.50 6.66 3.07 -0.57 -1.97 114.58 122.14 1p2e h GLU 463 Ca 0.22 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.06 1p2e h GLU 463 Cb 0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1p2e h GLU 463 CO -0.04 0.71 0.22 1.15 -1.40 0.00 0.00 179.01 179.65 1p2e h THR 464 N 0.00 1.20 -0.05 1.13 2.02 -0.12 0.30 112.91 117.39 1p2e h THR 464 Ca -0.01 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 1p2e h THR 464 Cb 1.30 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1p2e h THR 464 CO 0.09 0.23 -0.06 0.58 0.37 0.00 0.00 175.52 176.73 1p2e h VAL 465 N 0.66 1.40 -0.76 3.16 2.07 -1.29 0.11 116.25 121.60 1p2e h VAL 465 Ca 0.17 -1.28 0.12 0.00 0.82 0.00 0.00 66.70 66.53 1p2e h VAL 465 Cb 0.16 2.15 -0.08 0.00 -1.52 0.00 0.00 31.29 31.99 1p2e h VAL 465 CO -0.02 0.35 0.35 0.00 0.02 0.00 0.00 177.57 178.27 1p2e h ALA 466 N 0.51 1.07 -0.42 1.67 0.00 -1.32 -0.11 119.26 120.66 1p2e h ALA 466 Ca 0.01 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1p2e h ALA 466 Cb 0.60 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1p2e h ALA 466 CO 0.01 -0.12 -0.26 -0.09 0.00 0.00 0.00 179.25 178.80 1p2e h ARG 467 N 0.55 0.89 -0.06 0.00 2.43 0.29 -2.94 114.38 115.53 1p2e h ARG 467 Ca 0.40 -0.39 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1p2e h ARG 467 Cb 0.52 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1p2e h ARG 467 CO -0.34 1.04 -0.10 -0.92 -1.51 0.00 0.00 179.97 178.15 1p2e h TYR 468 N 0.76 -0.24 -0.82 2.20 3.20 -0.22 0.08 116.97 121.93 1p2e h TYR 468 Ca 0.09 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1p2e h TYR 468 Cb 0.82 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 39.15 1p2e h TYR 468 CO 0.05 -0.15 0.54 -0.91 -1.64 0.00 0.00 178.16 176.05 1p2e h ASN 469 N -0.14 0.86 0.02 -2.11 2.35 -1.01 0.46 115.58 116.01 1p2e h ASN 469 Ca 0.06 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 1p2e h ASN 469 Cb 0.22 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1p2e h ASN 469 CO -0.14 0.58 -0.35 -1.28 -1.65 0.00 0.00 177.43 174.59 1p2e h SER 470 N 0.99 0.47 -0.27 5.81 0.87 -1.27 0.50 113.55 120.65 1p2e h SER 470 Ca 0.33 -0.19 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 1p2e h SER 470 Cb 0.09 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1p2e h SER 470 CO -0.10 0.78 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.77 1p2e h LEU 471 N 0.38 0.69 0.23 2.23 3.38 0.14 0.30 115.31 122.66 1p2e h LEU 471 Ca 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1p2e h LEU 471 Cb 0.79 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1p2e h LEU 471 CO 0.06 0.85 -0.11 0.58 0.09 0.00 0.00 178.44 179.91 1p2e h VAL 472 N 0.63 0.84 -0.46 1.22 2.07 0.88 0.11 116.25 121.53 1p2e h VAL 472 Ca 0.10 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1p2e h VAL 472 Cb 0.60 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1p2e h VAL 472 CO 0.04 0.08 0.22 0.77 0.02 0.00 0.00 177.57 178.70 1p2e h SER 473 N -0.48 0.61 1.08 0.57 4.64 0.48 -1.69 113.55 118.74 1p2e h SER 473 Ca -0.03 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1p2e h SER 473 Cb 0.36 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1p2e h SER 473 CO 0.05 0.57 0.00 0.77 -0.87 0.00 0.00 176.83 177.35 1p2e h SER 474 N 0.60 0.00 0.00 4.97 4.64 -0.30 -3.47 113.55 119.99 1p2e h SER 474 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1p2e h SER 474 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1p2e h SER 474 CO -0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 1p2e n GLY 475 N 0.10 0.68 2.88 -0.77 0.00 0.01 -5.02 105.19 103.08 1p2e n GLY 475 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1p2e n GLY 475 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p2e s LYS 476 N -0.68 0.85 -0.75 1.61 2.47 -1.14 -4.99 119.74 117.10 1p2e s LYS 476 Ca 0.00 -0.09 -0.20 0.00 -1.56 0.00 0.00 55.97 54.12 1p2e s LYS 476 Cb 0.00 -0.89 0.11 0.00 -1.46 0.00 0.00 37.83 35.59 1p2e s LYS 476 CO 0.00 -0.11 0.94 0.34 0.16 0.00 0.00 175.35 176.68 1p2e s ASP 477 N 1.05 6.38 0.00 1.43 2.15 -1.26 -4.76 116.67 121.66 1p2e s ASP 477 Ca -0.09 -1.61 0.29 0.00 0.43 0.00 0.00 52.55 51.57 1p2e s ASP 477 Cb -0.14 -2.36 1.26 0.00 -0.30 0.00 0.00 42.92 41.38 1p2e s ASP 477 CO -0.01 -1.16 1.88 0.35 -0.17 0.00 0.00 175.17 176.07 1p2e n THR 478 N 5.53 0.00 -0.06 1.71 -2.24 -1.26 -0.37 114.28 117.59 1p2e n THR 478 Ca 0.06 -0.06 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1p2e n THR 478 Cb 0.46 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 1p2e n THR 478 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1p2e h ASP 479 N 0.56 0.00 0.00 3.42 3.32 -2.01 -3.42 116.42 118.28 1p2e h ASP 479 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1p2e h ASP 479 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1p2e h ASP 479 CO 0.00 0.71 0.00 0.49 -1.72 0.00 0.00 179.24 178.72 1p2e n PHE 480 N -4.69 0.00 -3.98 4.55 3.72 -1.25 -5.02 117.46 110.79 1p2e n PHE 480 Ca -0.06 -0.13 -0.31 0.00 -0.05 0.00 0.00 57.45 56.91 1p2e n PHE 480 Cb 0.19 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.73 1p2e n PHE 480 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1p2e n GLU 481 N -0.13 -4.66 -1.90 -1.08 1.02 0.50 -4.27 120.64 110.11 1p2e n GLU 481 Ca 0.00 0.52 -0.42 0.00 -0.02 0.00 0.00 57.16 57.24 1p2e n GLU 481 Cb 0.12 -5.27 -0.03 0.00 -0.02 0.00 0.00 31.44 26.24 1p2e n GLU 481 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1p2e s ARG 482 N -6.63 4.18 0.15 3.49 3.52 -1.26 -4.87 118.95 117.53 1p2e s ARG 482 Ca 0.56 2.33 0.24 0.00 -0.13 0.00 0.00 55.73 58.74 1p2e s ARG 482 Cb -0.29 -3.91 0.92 0.00 -1.56 0.00 0.00 34.95 30.11 1p2e s ARG 482 CO 0.86 -0.84 1.75 -0.35 -0.81 0.00 0.00 175.30 175.91 1p2e n PRO 483 N 6.76 0.16 -3.87 5.12 -0.04 -1.26 -4.26 135.00 137.61 1p2e n PRO 483 Ca 0.17 0.24 -0.24 0.00 -0.04 0.00 0.00 63.50 63.63 1p2e n PRO 483 Cb 0.42 -1.72 -0.17 0.00 -0.04 0.00 0.00 33.50 31.98 1p2e n PRO 483 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1p2e s ASN 484 N -3.95 1.67 -0.43 3.54 3.84 -1.26 -5.07 114.94 113.28 1p2e s ASN 484 Ca 0.09 -0.15 0.02 0.00 0.21 0.00 0.00 52.86 53.03 1p2e s ASN 484 Cb 0.12 -0.56 0.15 0.00 -0.55 0.00 0.00 41.25 40.42 1p2e s ASN 484 CO 0.48 -0.15 0.29 -0.76 -2.79 0.00 0.00 177.10 174.17 1p2e s LEU 485 N 1.74 2.02 0.41 3.21 1.02 -1.26 -5.01 118.68 120.80 1p2e s LEU 485 Ca 0.03 -2.76 0.22 0.00 0.02 0.00 0.00 54.13 51.63 1p2e s LEU 485 Cb -0.13 -0.73 0.28 0.00 0.02 0.00 0.00 46.19 45.64 1p2e s LEU 485 CO -0.05 -0.23 1.55 1.55 0.02 0.00 0.00 176.35 179.19 1p2e h PRO 486 N 6.34 0.00 -2.99 1.29 0.13 -1.88 -3.47 132.00 131.43 1p2e h PRO 486 Ca 0.11 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.11 1p2e h PRO 486 Cb 0.92 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.81 1p2e h PRO 486 CO 0.41 0.06 -0.32 1.03 -0.23 0.00 0.00 178.00 178.95 1p2e s ARG 487 N -3.19 0.48 0.38 0.86 0.52 -1.26 -5.04 118.95 111.69 1p2e s ARG 487 Ca 0.06 0.22 -0.24 0.00 -0.52 0.00 0.00 55.73 55.25 1p2e s ARG 487 Cb 0.06 0.22 -0.10 0.00 0.52 0.00 0.00 34.95 35.65 1p2e s ARG 487 CO 0.69 -0.09 1.00 0.00 0.02 0.00 0.00 175.30 176.92 1p2e s ALA 488 N -0.36 3.13 -0.97 2.13 0.00 -1.26 -4.96 121.76 119.47 1p2e s ALA 488 Ca -0.05 0.61 -0.13 0.00 0.00 0.00 0.00 51.96 52.39 1p2e s ALA 488 Cb -0.03 -3.23 0.23 0.00 0.00 0.00 0.00 23.12 20.09 1p2e s ALA 488 CO 0.02 -0.04 0.98 -0.51 0.00 0.00 0.00 175.76 176.21 1p2e s LEU 489 N -2.49 6.34 0.00 0.00 1.43 -1.26 -4.68 118.68 118.02 1p2e s LEU 489 Ca 0.56 -3.01 0.03 0.00 -1.03 0.00 0.00 54.13 50.68 1p2e s LEU 489 Cb -0.19 -2.24 0.06 0.00 0.03 0.00 0.00 46.19 43.84 1p2e s LEU 489 CO 0.25 -0.52 0.89 -0.46 0.23 0.00 0.00 176.35 176.74 1p2e n ASN 490 N 3.82 0.07 -4.23 2.29 2.04 -1.26 -4.89 115.26 113.09 1p2e n ASN 490 Ca 0.20 -1.73 -0.32 0.00 -0.44 0.00 0.00 54.58 52.29 1p2e n ASN 490 Cb 0.44 -0.13 -0.17 0.00 -2.53 0.00 0.00 39.78 37.39 1p2e n ASN 490 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 1p2e s GLU 491 N 0.00 3.05 6.73 -3.83 2.12 -1.26 -5.03 118.70 120.47 1p2e s GLU 491 Ca 0.04 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.51 1p2e s GLU 491 Cb 0.05 -2.32 0.00 0.00 0.26 0.00 0.00 34.13 32.12 1p2e s GLU 491 CO -0.02 0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.30 1p2e n GLY 492 N 3.49 3.24 3.94 -1.50 0.00 -1.26 0.15 105.19 113.24 1p2e n GLY 492 Ca -0.19 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 1p2e n GLY 492 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p2e s ASN 493 N -4.00 4.57 0.19 1.61 0.01 -1.26 -4.78 114.94 111.29 1p2e s ASN 493 Ca 0.00 0.34 0.08 0.00 -0.71 0.00 0.00 52.86 52.57 1p2e s ASN 493 Cb 0.00 -0.90 -0.04 0.00 0.41 0.00 0.00 41.25 40.72 1p2e s ASN 493 CO 0.00 -1.75 -0.03 -0.31 -1.51 0.00 0.00 177.10 173.50 1p2e s TYR 494 N -3.31 2.76 0.01 2.20 2.02 0.10 -2.70 117.35 118.44 1p2e s TYR 494 Ca 0.62 -0.18 -0.01 0.00 -0.37 0.00 0.00 57.07 57.14 1p2e s TYR 494 Cb -0.09 -1.32 -0.01 0.00 -0.40 0.00 0.00 41.96 40.14 1p2e s TYR 494 CO 0.46 0.54 -0.01 0.71 -1.57 0.00 0.00 175.55 175.67 1p2e s TYR 495 N -1.84 0.17 -0.00 2.71 1.51 0.02 -2.22 117.35 117.69 1p2e s TYR 495 Ca 0.28 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 56.04 1p2e s TYR 495 Cb -0.09 -0.13 -0.01 0.00 -0.11 0.00 0.00 41.96 41.62 1p2e s TYR 495 CO 0.18 -0.15 -0.17 0.00 -1.11 0.00 0.00 175.55 174.31 1p2e s ALA 496 N -1.05 1.40 -0.08 3.71 0.00 -0.53 -1.68 121.76 123.54 1p2e s ALA 496 Ca -0.11 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1p2e s ALA 496 Cb -0.07 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1p2e s ALA 496 CO -0.01 0.33 -0.08 0.42 0.00 0.00 0.00 175.76 176.43 1p2e s ILE 497 N -0.47 0.92 -0.01 0.00 1.01 -0.14 -2.95 121.20 119.56 1p2e s ILE 497 Ca 0.06 -0.30 -0.26 0.00 0.00 0.00 0.00 60.65 60.15 1p2e s ILE 497 Cb -0.07 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1p2e s ILE 497 CO -0.00 0.32 0.81 -0.70 0.00 0.00 0.00 174.94 175.37 1p2e s GLU 498 N 1.14 4.50 0.07 2.79 2.12 -1.26 0.16 118.70 128.23 1p2e s GLU 498 Ca -0.06 1.11 0.03 0.00 0.36 0.00 0.00 54.97 56.41 1p2e s GLU 498 Cb -0.14 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 1p2e s GLU 498 CO -0.01 0.11 -0.09 0.14 -0.54 0.00 0.00 175.26 174.86 1p2e s VAL 499 N 0.56 0.77 0.01 3.70 -7.23 -0.23 -1.81 120.40 116.16 1p2e s VAL 499 Ca 0.42 -1.46 -0.28 0.00 -1.81 0.00 0.00 61.98 58.86 1p2e s VAL 499 Cb -0.20 -1.11 0.08 0.00 0.56 0.00 0.00 36.38 35.71 1p2e s VAL 499 CO 0.23 -0.52 0.71 0.28 -0.31 0.00 0.00 175.10 175.49 1p2e s THR 500 N -2.15 0.00 0.55 5.32 -1.32 0.10 -1.86 115.64 116.29 1p2e s THR 500 Ca 0.00 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.28 1p2e s THR 500 Cb -0.05 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.89 1p2e s THR 500 CO -0.00 0.00 1.24 -2.84 -2.21 0.00 0.00 174.62 170.80 1p2e s PRO 501 N -2.16 3.20 0.00 7.08 0.02 -1.00 0.53 135.00 142.68 1p2e s PRO 501 Ca -0.05 1.93 -0.06 0.00 0.02 0.00 0.00 61.00 62.84 1p2e s PRO 501 Cb -0.00 -2.13 -0.00 0.00 0.02 0.00 0.00 34.50 32.38 1p2e s PRO 501 CO 0.00 -1.05 0.12 0.20 -0.33 0.00 0.00 177.00 175.94 1p2e s GLY 502 N -1.36 0.06 0.22 0.52 0.00 -0.24 -4.69 107.32 101.83 1p2e s GLY 502 Ca 0.73 -0.18 -0.31 0.00 0.00 0.00 0.00 44.72 44.96 1p2e s GLY 502 CO 0.37 -0.30 1.59 0.14 0.00 0.00 0.00 173.10 174.90 1p2e s VAL 503 N -1.37 2.36 0.00 1.40 1.01 0.80 0.32 120.40 124.91 1p2e s VAL 503 Ca -0.15 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1p2e s VAL 503 Cb -0.08 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1p2e s VAL 503 CO 0.01 0.03 0.00 1.57 0.00 0.00 0.00 175.10 176.71 1p2e n HIS 504 N 3.36 0.00 -3.76 5.22 -0.00 0.21 -2.04 115.22 118.20 1p2e n HIS 504 Ca 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.71 1p2e n HIS 504 Cb 0.38 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.27 1p2e n HIS 504 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1p2e s HIS 505 N -1.51 -0.27 -0.37 1.57 5.04 -1.08 -4.83 115.29 113.84 1p2e s HIS 505 Ca 0.00 0.59 -0.08 0.00 -1.54 0.00 0.00 55.06 54.03 1p2e s HIS 505 Cb 0.00 0.11 0.05 0.00 0.04 0.00 0.00 32.58 32.77 1p2e s HIS 505 CO 0.00 -0.27 0.17 0.95 -2.34 0.00 0.00 174.74 173.25 1p2e s THR 506 N -0.50 4.04 -0.23 0.89 -4.23 -1.26 -1.83 115.64 112.53 1p2e s THR 506 Ca -0.06 -1.17 0.28 0.00 -1.18 0.00 0.00 61.69 59.56 1p2e s THR 506 Cb -0.04 -3.34 0.31 0.00 1.34 0.00 0.00 72.50 70.77 1p2e s THR 506 CO 0.02 -0.29 1.83 0.24 -0.54 0.00 0.00 174.62 175.88 1p2e h MET 507 N 8.31 0.00 -6.95 3.99 2.86 -1.64 -3.45 114.93 118.03 1p2e h MET 507 Ca -0.23 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 56.96 1p2e h MET 507 Cb 1.09 0.00 0.05 0.00 0.06 0.00 0.00 31.60 32.80 1p2e h MET 507 CO 0.66 0.00 0.04 0.20 1.06 0.00 0.00 176.91 178.87 1p2e s GLY 508 N -3.81 1.71 0.00 8.32 0.00 -1.20 -4.12 107.32 108.22 1p2e s GLY 508 Ca 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1p2e s GLY 508 CO 0.45 -0.80 0.00 0.61 0.00 0.00 0.00 173.10 173.36 1p2e n GLY 509 N -2.45 -0.64 3.77 0.20 0.00 -0.23 -4.17 105.19 101.67 1p2e n GLY 509 Ca 0.06 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 1p2e n GLY 509 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p2e s VAL 510 N -3.88 2.84 -0.26 1.61 1.01 0.05 -0.93 120.40 120.85 1p2e s VAL 510 Ca 0.00 0.68 -0.26 0.00 0.00 0.00 0.00 61.98 62.40 1p2e s VAL 510 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1p2e s VAL 510 CO 0.00 0.04 0.92 -0.32 0.00 0.00 0.00 175.10 175.74 1p2e s MET 511 N -2.51 4.16 0.17 2.72 1.75 0.58 -1.78 119.30 124.39 1p2e s MET 511 Ca 0.61 1.04 0.09 0.00 -1.25 0.00 0.00 55.69 56.18 1p2e s MET 511 Cb -0.33 -3.67 -0.04 0.00 2.84 0.00 0.00 34.83 33.63 1p2e s MET 511 CO 0.41 -0.62 -0.18 0.96 -0.65 0.00 0.00 175.02 174.93 1p2e s ILE 512 N 3.07 1.83 0.00 10.11 -4.36 -1.26 -2.12 121.20 128.47 1p2e s ILE 512 Ca 0.39 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 1p2e s ILE 512 Cb -0.15 -1.86 0.00 0.00 1.25 0.00 0.00 42.46 41.70 1p2e s ILE 512 CO 0.09 -0.32 0.00 -0.90 0.24 0.00 0.00 174.94 174.04 1p2e n ASP 513 N 0.25 0.00 0.16 4.36 5.68 -0.50 -4.92 116.55 121.58 1p2e n ASP 513 Ca -0.13 -0.80 0.13 0.00 -0.50 0.00 0.00 54.79 53.49 1p2e n ASP 513 Cb 0.57 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 41.09 1p2e n ASP 513 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1p2e h THR 514 N -0.11 0.00 -0.58 2.12 1.35 -1.93 -1.90 112.91 111.86 1p2e h THR 514 Ca 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1p2e h THR 514 Cb 0.00 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1p2e h THR 514 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1p2e n LYS 515 N -2.40 2.54 -1.84 4.72 5.02 -1.26 -4.95 118.16 119.98 1p2e n LYS 515 Ca 0.02 -2.37 -0.08 0.00 -2.02 0.00 0.00 58.31 53.86 1p2e n LYS 515 Cb 0.24 -1.52 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 1p2e n LYS 515 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p2e n ALA 516 N 1.47 -0.20 -2.45 7.82 0.00 -0.71 -4.56 120.51 121.89 1p2e n ALA 516 Ca 0.22 0.09 -0.40 0.00 0.00 0.00 0.00 53.44 53.35 1p2e n ALA 516 Cb 0.58 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 1p2e n ALA 516 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1p2e s GLU 517 N -3.81 4.45 0.24 0.00 2.02 -1.26 -1.18 118.70 119.15 1p2e s GLU 517 Ca 0.00 0.97 -0.30 0.00 0.02 0.00 0.00 54.97 55.66 1p2e s GLU 517 Cb 0.00 -3.36 -0.09 0.00 0.10 0.00 0.00 34.13 30.78 1p2e s GLU 517 CO 0.00 0.29 1.07 0.08 0.02 0.00 0.00 175.26 176.72 1p2e s VAL 518 N -0.02 3.72 0.29 2.63 1.01 -0.70 -1.41 120.40 125.92 1p2e s VAL 518 Ca 0.37 1.63 0.11 0.00 0.00 0.00 0.00 61.98 64.08 1p2e s VAL 518 Cb -0.20 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1p2e s VAL 518 CO 0.21 0.35 -0.11 -0.04 0.00 0.00 0.00 175.10 175.51 1p2e s MET 519 N -1.01 1.90 0.09 2.72 -1.94 -0.90 -1.11 119.30 119.05 1p2e s MET 519 Ca 0.46 -1.71 -0.01 0.00 -1.71 0.00 0.00 55.69 52.72 1p2e s MET 519 Cb -0.30 -1.88 0.02 0.00 2.01 0.00 0.00 34.83 34.68 1p2e s MET 519 CO 0.37 0.28 0.12 0.27 -0.01 0.00 0.00 175.02 176.05 1p2e n ASN 520 N -0.76 0.09 0.26 3.03 0.23 -0.20 -1.24 115.26 116.68 1p2e n ASN 520 Ca -0.05 -1.09 0.13 0.00 -0.53 0.00 0.00 54.58 53.04 1p2e n ASN 520 Cb 0.61 -0.08 0.66 0.00 -2.08 0.00 0.00 39.78 38.88 1p2e n ASN 520 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1p2e h ALA 521 N -1.06 1.12 -0.00 -2.53 0.00 -1.90 0.52 119.26 115.40 1p2e h ALA 521 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1p2e h ALA 521 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1p2e h ALA 521 CO 0.03 0.16 -0.13 1.63 0.00 0.00 0.00 179.25 180.95 1p2e n LYS 522 N -3.41 0.24 -2.48 0.00 5.02 -1.26 -4.91 118.16 111.36 1p2e n LYS 522 Ca -0.01 -0.06 -0.05 0.00 -2.02 0.00 0.00 58.31 56.17 1p2e n LYS 522 Cb 0.31 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.83 1p2e n LYS 522 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1p2e n LYS 523 N -1.33 -1.15 -3.74 1.97 2.85 0.17 -5.03 118.16 111.91 1p2e n LYS 523 Ca 0.10 0.19 -0.36 0.00 -1.05 0.00 0.00 58.31 57.18 1p2e n LYS 523 Cb 0.31 -3.49 -0.07 0.00 -0.65 0.00 0.00 35.03 31.12 1p2e n LYS 523 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1p2e s GLN 524 N -4.87 3.96 0.26 -1.58 -0.21 -1.26 -4.79 119.66 111.18 1p2e s GLN 524 Ca 0.08 -0.12 -0.30 0.00 0.02 0.00 0.00 55.36 55.04 1p2e s GLN 524 Cb -0.03 -3.34 -0.10 0.00 1.00 0.00 0.00 33.01 30.53 1p2e s GLN 524 CO 0.09 0.45 1.40 0.08 -2.12 0.00 0.00 175.29 175.19 1p2e s VAL 525 N -0.10 2.75 -0.35 1.09 1.01 -1.26 -1.03 120.40 122.51 1p2e s VAL 525 Ca 0.12 0.65 -0.17 0.00 0.00 0.00 0.00 61.98 62.58 1p2e s VAL 525 Cb -0.12 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 1p2e s VAL 525 CO 0.01 0.11 0.47 -0.51 0.00 0.00 0.00 175.10 175.18 1p2e s ILE 526 N -0.21 5.06 0.22 2.22 1.10 -0.27 -4.89 121.20 124.43 1p2e s ILE 526 Ca 0.57 0.23 -0.30 0.00 -0.51 0.00 0.00 60.65 60.63 1p2e s ILE 526 Cb -0.41 -3.92 -0.10 0.00 0.15 0.00 0.00 42.46 38.18 1p2e s ILE 526 CO 0.45 -0.19 1.45 -2.16 -2.11 0.00 0.00 174.94 172.38 1p2e s PRO 527 N 2.27 4.27 0.00 3.50 0.04 -1.26 -2.44 135.00 141.38 1p2e s PRO 527 Ca 0.16 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1p2e s PRO 527 Cb -0.16 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1p2e s PRO 527 CO 0.13 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1p2e n GLY 528 N 2.63 1.26 3.48 0.56 0.00 -1.26 -1.40 105.19 110.46 1p2e n GLY 528 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1p2e n GLY 528 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1p2e s LEU 529 N 0.00 3.68 0.33 0.99 0.20 -1.02 -1.22 118.68 121.65 1p2e s LEU 529 Ca 0.00 -0.20 0.10 0.00 0.69 0.00 0.00 54.13 54.71 1p2e s LEU 529 Cb 0.00 -1.98 -0.06 0.00 -0.43 0.00 0.00 46.19 43.72 1p2e s LEU 529 CO 0.00 -0.06 -0.07 -0.31 -0.29 0.00 0.00 176.35 175.62 1p2e s TYR 530 N 1.65 2.45 -0.05 5.38 1.51 -0.41 -1.72 117.35 126.16 1p2e s TYR 530 Ca 0.06 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.66 1p2e s TYR 530 Cb -0.16 -1.36 0.04 0.00 -0.11 0.00 0.00 41.96 40.37 1p2e s TYR 530 CO 0.06 0.57 0.10 0.20 -1.11 0.00 0.00 175.55 175.37 1p2e s GLY 531 N -3.63 0.05 -0.06 0.71 0.00 -0.33 -2.04 107.32 102.02 1p2e s GLY 531 Ca 0.33 0.48 -0.05 0.00 0.00 0.00 0.00 44.72 45.48 1p2e s GLY 531 CO 0.17 1.03 0.15 0.00 0.00 0.00 0.00 173.10 174.45 1p2e s ALA 532 N 1.40 -0.36 0.00 3.20 0.00 -0.78 -4.76 121.76 120.46 1p2e s ALA 532 Ca -0.06 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1p2e s ALA 532 Cb -0.12 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1p2e s ALA 532 CO -0.05 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1p2e n GLY 533 N 3.04 -1.30 0.18 0.00 0.00 -1.26 -4.35 105.19 101.51 1p2e n GLY 533 Ca -0.13 -1.58 0.11 0.00 0.00 0.00 0.00 46.02 44.43 1p2e n GLY 533 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1p2e h GLU 534 N 0.00 0.00 0.00 1.61 4.81 -1.92 0.33 114.58 119.41 1p2e h GLU 534 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1p2e h GLU 534 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1p2e h GLU 534 CO 0.00 0.00 -0.12 -0.24 -0.73 0.00 0.00 179.01 177.92 1p2e h VAL 535 N 0.00 0.37 -3.78 0.32 3.04 -1.76 -3.38 116.25 111.06 1p2e h VAL 535 Ca 0.00 -0.72 -0.49 0.00 -1.01 0.00 0.00 66.70 64.49 1p2e h VAL 535 Cb 0.15 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 1p2e h VAL 535 CO 0.00 0.12 0.14 0.42 -1.01 0.00 0.00 177.57 177.24 1p2e s THR 536 N -3.84 4.68 0.16 3.17 -4.23 0.12 -0.77 115.64 114.92 1p2e s THR 536 Ca -0.01 0.91 0.07 0.00 -1.18 0.00 0.00 61.69 61.49 1p2e s THR 536 Cb 0.11 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.25 1p2e s THR 536 CO 0.58 -0.34 -0.04 -0.83 -0.54 0.00 0.00 174.62 173.45 1p2e s GLY 537 N -2.60 1.75 0.00 3.99 0.00 -0.73 -4.00 107.32 105.73 1p2e s GLY 537 Ca 0.54 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1p2e s GLY 537 CO 0.22 -1.36 0.00 0.61 0.00 0.00 0.00 173.10 172.57 1p2e n GLY 538 N 0.12 2.32 0.09 0.20 0.00 -1.26 -4.38 105.19 102.29 1p2e n GLY 538 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1p2e n GLY 538 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1p2e h VAL 539 N 0.00 1.53 -0.03 1.61 2.07 -1.86 0.12 116.25 119.70 1p2e h VAL 539 Ca 0.00 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1p2e h VAL 539 Cb 0.00 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1p2e h VAL 539 CO 0.00 0.49 -0.00 1.41 0.02 0.00 0.00 177.57 179.48 1p2e n HIS 540 N -4.59 0.00 -3.84 1.57 -0.00 -1.26 -4.60 115.22 102.50 1p2e n HIS 540 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 1p2e n HIS 540 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 1p2e n HIS 540 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1p2e n GLY 541 N 1.31 2.04 0.00 -1.41 0.00 -1.26 -2.79 105.19 103.07 1p2e n GLY 541 Ca 0.13 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.86 1p2e n GLY 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2e n ALA 542 N 6.84 2.28 -3.48 4.61 0.00 -0.78 -4.76 120.51 125.22 1p2e n ALA 542 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.35 1p2e n ALA 542 Cb 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 17.96 1p2e n ALA 542 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1p2e s ASN 543 N -2.92 -0.75 0.22 0.00 2.47 -1.12 -4.81 114.94 108.03 1p2e s ASN 543 Ca 0.16 1.03 -0.14 0.00 0.42 0.00 0.00 52.86 54.33 1p2e s ASN 543 Cb 0.18 1.85 -0.08 0.00 -1.45 0.00 0.00 41.25 41.76 1p2e s ASN 543 CO 0.48 -0.14 0.62 -0.60 -3.72 0.00 0.00 177.10 173.74 1p2e s ARG 544 N 2.58 3.99 0.14 0.43 3.52 -1.25 -2.99 118.95 125.36 1p2e s ARG 544 Ca -0.04 0.54 -0.20 0.00 -0.13 0.00 0.00 55.73 55.90 1p2e s ARG 544 Cb -0.08 -2.74 -0.07 0.00 -1.56 0.00 0.00 34.95 30.50 1p2e s ARG 544 CO -0.18 0.35 0.66 -0.51 -0.81 0.00 0.00 175.30 174.81 1p2e s LEU 545 N -2.40 4.49 0.26 -0.88 1.43 -1.26 -4.90 118.68 115.42 1p2e s LEU 545 Ca 0.45 1.38 -0.30 0.00 -1.03 0.00 0.00 54.13 54.63 1p2e s LEU 545 Cb -0.13 -3.19 -0.14 0.00 0.03 0.00 0.00 46.19 42.76 1p2e s LEU 545 CO 0.20 0.19 1.27 0.61 0.23 0.00 0.00 176.35 178.84 1p2e n GLY 546 N 1.38 0.42 0.91 -3.19 0.00 -1.26 -1.48 105.19 101.96 1p2e n GLY 546 Ca -0.07 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1p2e n GLY 546 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2e n GLY 547 N 1.66 2.63 0.15 -0.02 0.00 -1.26 -4.85 105.19 103.51 1p2e n GLY 547 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1p2e n GLY 547 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1p2e h ASN 548 N 0.00 0.00 0.17 1.61 4.21 -1.54 0.28 115.58 120.31 1p2e h ASN 548 Ca 0.00 -0.02 -0.31 0.00 1.21 0.00 0.00 56.30 57.18 1p2e h ASN 548 Cb 0.00 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.23 1p2e h ASN 548 CO 0.00 0.01 -1.30 0.00 -1.29 0.00 0.00 177.43 174.85 1p2e h ALA 549 N 2.24 -0.07 -0.13 -0.83 0.00 -1.91 -1.10 119.26 117.45 1p2e h ALA 549 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 54.91 54.00 1p2e h ALA 549 Cb 0.88 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1p2e h ALA 549 CO 0.00 0.66 -0.43 0.82 0.00 0.00 0.00 179.25 180.30 1p2e h ILE 550 N 0.18 1.32 -0.13 0.00 1.08 -1.84 -1.10 117.51 117.02 1p2e h ILE 550 Ca -0.21 -1.58 -0.00 0.00 -0.39 0.00 0.00 64.86 62.67 1p2e h ILE 550 Cb 1.99 1.69 -0.01 0.00 -3.07 0.00 0.00 36.82 37.42 1p2e h ILE 550 CO 0.25 0.48 0.07 -1.28 -0.69 0.00 0.00 178.15 176.98 1p2e h SER 551 N 0.26 0.17 -0.89 1.72 0.87 -1.56 -2.46 113.55 111.65 1p2e h SER 551 Ca 0.02 -0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.55 1p2e h SER 551 Cb 0.87 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.72 1p2e h SER 551 CO 0.07 0.20 0.56 -0.78 -0.53 0.00 0.00 176.83 176.35 1p2e h ASP 552 N 0.11 0.90 -0.09 6.23 3.58 -0.82 -2.30 116.42 124.04 1p2e h ASP 552 Ca 0.05 0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.35 1p2e h ASP 552 Cb 0.07 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1p2e h ASP 552 CO -0.01 0.59 -0.48 0.16 -2.88 0.00 0.00 179.24 176.63 1p2e h ILE 553 N 1.04 1.30 -0.10 2.25 3.07 -0.74 0.44 117.51 124.77 1p2e h ILE 553 Ca 0.38 -1.68 -0.08 0.00 1.55 0.00 0.00 64.86 65.03 1p2e h ILE 553 Cb 0.12 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 38.30 1p2e h ILE 553 CO -0.16 0.53 -0.24 0.40 -1.05 0.00 0.00 178.15 177.64 1p2e h ILE 554 N 0.52 1.39 0.16 0.16 1.08 -1.50 -0.12 117.51 119.20 1p2e h ILE 554 Ca 0.03 -1.54 -0.01 0.00 -0.39 0.00 0.00 64.86 62.95 1p2e h ILE 554 Cb 1.02 2.13 0.00 0.00 -3.07 0.00 0.00 36.82 36.91 1p2e h ILE 554 CO 0.10 0.45 -0.08 0.74 -0.69 0.00 0.00 178.15 178.66 1p2e h THR 555 N -0.10 0.96 0.00 -0.27 2.02 -1.20 -1.53 112.91 112.78 1p2e h THR 555 Ca -0.00 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 1p2e h THR 555 Cb 0.83 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1p2e h THR 555 CO 0.05 0.14 -0.35 -0.26 0.37 0.00 0.00 175.52 175.46 1p2e h PHE 556 N -0.50 0.00 -0.25 3.16 0.04 -0.21 -2.67 116.94 116.51 1p2e h PHE 556 Ca -0.02 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 1p2e h PHE 556 Cb 0.39 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 1p2e h PHE 556 CO 0.02 0.35 -0.03 0.78 -0.60 0.00 0.00 178.31 178.83 1p2e h GLY 557 N 3.45 0.51 0.86 -1.45 0.00 -1.00 -1.72 103.07 103.71 1p2e h GLY 557 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1p2e h GLY 557 CO 0.05 0.37 -0.13 -0.09 0.00 0.00 0.00 176.54 176.73 1p2e h ARG 558 N 0.22 -0.28 -0.70 4.80 2.43 -1.15 -2.20 114.38 117.50 1p2e h ARG 558 Ca 0.07 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1p2e h ARG 558 Cb 0.48 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1p2e h ARG 558 CO 0.02 -0.19 0.42 1.25 -1.51 0.00 0.00 179.97 179.96 1p2e h LEU 559 N -0.29 0.85 -1.06 3.80 7.12 -1.53 -1.88 115.31 122.32 1p2e h LEU 559 Ca -0.00 -0.07 -0.03 0.00 0.13 0.00 0.00 57.88 57.92 1p2e h LEU 559 Cb 0.27 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.15 1p2e h LEU 559 CO -0.02 0.67 0.34 0.00 -0.13 0.00 0.00 178.44 179.29 1p2e h ALA 560 N 1.22 1.27 -0.19 1.25 0.00 -1.07 0.15 119.26 121.88 1p2e h ALA 560 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1p2e h ALA 560 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1p2e h ALA 560 CO -0.05 0.56 0.13 0.78 0.00 0.00 0.00 179.25 180.67 1p2e h GLY 561 N 1.06 0.28 0.93 0.00 0.00 -1.25 0.41 103.07 104.49 1p2e h GLY 561 Ca 0.24 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 1p2e h GLY 561 CO -0.03 0.10 0.04 0.83 0.00 0.00 0.00 176.54 177.48 1p2e h GLU 562 N 0.25 0.66 -0.37 4.80 5.08 -0.79 -1.45 114.58 122.77 1p2e h GLU 562 Ca 0.07 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 1p2e h GLU 562 Cb -0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1p2e h GLU 562 CO -0.01 0.73 -0.30 0.93 -1.00 0.00 0.00 179.01 179.36 1p2e h GLU 563 N 0.50 0.79 -0.12 2.33 4.39 -0.44 -2.41 114.58 119.62 1p2e h GLU 563 Ca 0.11 -0.36 -0.10 0.00 0.34 0.00 0.00 59.36 59.36 1p2e h GLU 563 Cb 0.41 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1p2e h GLU 563 CO 0.01 0.98 -0.37 0.00 -1.16 0.00 0.00 179.01 178.48 1p2e h ALA 564 N 0.99 1.16 -0.24 3.43 0.00 -0.08 -1.98 119.26 122.54 1p2e h ALA 564 Ca 0.08 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1p2e h ALA 564 Cb 0.83 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1p2e h ALA 564 CO 0.07 0.56 -0.38 0.00 0.00 0.00 0.00 179.25 179.50 1p2e h ALA 565 N 1.40 0.36 -0.10 0.00 0.00 -0.93 -1.42 119.26 118.58 1p2e h ALA 565 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1p2e h ALA 565 Cb 0.75 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1p2e h ALA 565 CO 0.06 0.45 0.05 0.87 0.00 0.00 0.00 179.25 180.68 1p2e h LYS 566 N 0.39 0.13 -0.17 0.00 1.57 -1.46 -2.78 116.57 114.25 1p2e h LYS 566 Ca 0.02 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1p2e h LYS 566 Cb 0.97 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 1p2e h LYS 566 CO 0.09 0.16 -0.09 -0.92 -0.57 0.00 0.00 179.45 178.11 1p2e h TYR 567 N 0.07 -0.22 0.00 -1.35 3.20 -1.43 -3.52 116.97 113.73 1p2e h TYR 567 Ca 0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1p2e h TYR 567 Cb 0.06 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1p2e h TYR 567 CO -0.05 -0.15 0.00 0.45 -1.64 0.00 0.00 178.16 176.78