#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3n s GLU 3 N 0.00 4.04 0.72 0.00 2.02 -1.26 -4.99 118.70 119.22 1i3n s GLU 3 Ca 0.00 0.59 -0.04 0.00 0.02 0.00 0.00 54.97 55.53 1i3n s GLU 3 Cb 0.00 -2.86 0.10 0.00 0.10 0.00 0.00 34.13 31.47 1i3n s GLU 3 CO 0.00 0.42 1.01 0.15 0.02 0.00 0.00 175.26 176.86 1i3n s LYS 4 N -2.10 1.81 -0.14 1.61 -0.14 -0.78 -4.68 119.74 115.33 1i3n s LYS 4 Ca 0.41 -0.73 0.01 0.00 -1.36 0.00 0.00 55.97 54.30 1i3n s LYS 4 Cb -0.15 -2.25 0.02 0.00 -1.68 0.00 0.00 37.83 33.77 1i3n s LYS 4 CO 0.20 -1.41 -0.16 0.08 -0.76 0.00 0.00 175.35 173.30 1i3n s VAL 5 N -3.21 1.65 -0.03 3.17 1.01 -0.71 -0.05 120.40 122.22 1i3n s VAL 5 Ca 0.64 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 61.67 1i3n s VAL 5 Cb -0.07 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1i3n s VAL 5 CO 0.45 0.47 0.74 -0.22 0.00 0.00 0.00 175.10 176.54 1i3n s LEU 6 N 1.21 4.35 -0.30 3.92 2.96 -0.65 -1.16 118.68 129.02 1i3n s LEU 6 Ca -0.01 1.29 0.02 0.00 -0.22 0.00 0.00 54.13 55.22 1i3n s LEU 6 Cb -0.14 -3.16 0.07 0.00 0.50 0.00 0.00 46.19 43.46 1i3n s LEU 6 CO -0.07 -0.10 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.15 1i3n s VAL 7 N 0.61 2.41 0.26 1.68 1.01 0.18 -0.40 120.40 126.14 1i3n s VAL 7 Ca 0.39 -1.81 -0.19 0.00 0.00 0.00 0.00 61.98 60.37 1i3n s VAL 7 Cb -0.19 -2.52 -0.09 0.00 0.00 0.00 0.00 36.38 33.59 1i3n s VAL 7 CO 0.20 -0.23 0.75 0.42 0.00 0.00 0.00 175.10 176.24 1i3n s THR 8 N 1.08 4.55 -1.74 3.92 -4.23 -0.34 -1.81 115.64 117.08 1i3n s THR 8 Ca -0.02 1.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.75 1i3n s THR 8 Cb -0.20 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.83 1i3n s THR 8 CO -0.05 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1i3n n GLY 9 N 0.43 0.67 0.00 3.99 0.00 0.38 -1.78 105.19 108.88 1i3n n GLY 9 Ca -0.00 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.93 1i3n n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3n n GLY 10 N -0.88 -0.78 0.03 -0.02 0.00 -1.12 -2.71 105.19 99.70 1i3n n GLY 10 Ca -0.20 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1i3n n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3n n ALA 11 N -1.47 3.43 -1.00 4.61 0.00 -1.26 -1.81 120.51 123.01 1i3n n ALA 11 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1i3n n ALA 11 Cb 0.10 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1i3n n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3n n GLY 12 N 1.48 -1.56 0.19 0.00 0.00 -1.10 -4.59 105.19 99.61 1i3n n GLY 12 Ca 0.06 -1.59 -0.07 0.00 0.00 0.00 0.00 46.02 44.42 1i3n n GLY 12 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1i3n h TYR 13 N -1.11 -0.49 -0.30 1.61 3.20 -1.88 0.26 116.97 118.27 1i3n h TYR 13 Ca 0.00 -0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.69 1i3n h TYR 13 Cb 0.00 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 1i3n h TYR 13 CO 0.00 -0.26 -0.51 0.82 -1.64 0.00 0.00 178.16 176.57 1i3n h ILE 14 N -0.42 1.28 -0.58 1.81 2.04 -1.95 -3.11 117.51 116.59 1i3n h ILE 14 Ca -0.03 -1.70 0.01 0.00 1.00 0.00 0.00 64.86 64.14 1i3n h ILE 14 Cb 0.34 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1i3n h ILE 14 CO 0.02 0.55 0.38 1.23 0.00 0.00 0.00 178.15 180.33 1i3n h GLY 15 N 0.77 0.82 1.01 5.37 0.00 -1.77 -0.54 103.07 108.73 1i3n h GLY 15 Ca 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1i3n h GLY 15 CO 0.11 0.29 0.32 1.48 0.00 0.00 0.00 176.54 178.74 1i3n h SER 16 N 0.78 0.91 -0.34 0.19 4.64 -0.14 0.20 113.55 119.78 1i3n h SER 16 Ca 0.21 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1i3n h SER 16 Cb -0.08 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.76 1i3n h SER 16 CO -0.05 0.80 -0.01 0.45 -0.87 0.00 0.00 176.83 177.14 1i3n h HIS 17 N 0.96 0.76 -0.44 4.77 -0.00 -1.42 -1.84 115.15 117.94 1i3n h HIS 17 Ca 0.23 -0.10 -0.12 0.00 -0.00 0.00 0.00 60.37 60.38 1i3n h HIS 17 Cb 0.14 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 1i3n h HIS 17 CO 0.01 0.72 -0.21 1.15 -0.00 0.00 0.00 177.93 179.60 1i3n h THR 18 N 0.67 1.27 -0.56 2.45 2.02 -0.40 -2.03 112.91 116.33 1i3n h THR 18 Ca 0.13 -1.36 0.04 0.00 0.77 0.00 0.00 66.41 65.99 1i3n h THR 18 Cb 0.43 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1i3n h THR 18 CO 0.02 0.46 0.32 0.58 0.37 0.00 0.00 175.52 177.27 1i3n h VAL 19 N 0.75 1.01 -0.41 3.16 2.07 -0.32 0.15 116.25 122.67 1i3n h VAL 19 Ca 0.10 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1i3n h VAL 19 Cb 0.78 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1i3n h VAL 19 CO 0.06 0.11 0.16 0.25 0.02 0.00 0.00 177.57 178.18 1i3n h LEU 20 N 0.62 0.19 -0.90 2.57 6.46 -1.13 0.29 115.31 123.41 1i3n h LEU 20 Ca 0.24 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.99 1i3n h LEU 20 Cb 0.09 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 1i3n h LEU 20 CO -0.13 0.15 0.27 -0.33 -0.62 0.00 0.00 178.44 177.77 1i3n h GLU 21 N 0.33 1.07 -0.19 1.25 4.39 -0.63 -1.33 114.58 119.47 1i3n h GLU 21 Ca 0.18 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1i3n h GLU 21 Cb 0.15 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1i3n h GLU 21 CO -0.17 0.88 0.09 -0.07 -1.16 0.00 0.00 179.01 178.59 1i3n h LEU 22 N 1.05 0.26 -0.67 1.33 3.38 -0.17 0.04 115.31 120.53 1i3n h LEU 22 Ca 0.24 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1i3n h LEU 22 Cb 0.23 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1i3n h LEU 22 CO -0.02 0.31 0.39 -0.07 0.09 0.00 0.00 178.44 179.14 1i3n h LEU 23 N 0.18 0.61 -1.15 1.67 3.38 -0.56 0.04 115.31 119.48 1i3n h LEU 23 Ca 0.07 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1i3n h LEU 23 Cb 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1i3n h LEU 23 CO -0.01 0.41 -0.40 -0.33 0.09 0.00 0.00 178.44 178.20 1i3n h GLU 24 N 0.74 0.05 -0.15 1.13 4.39 -1.04 -2.33 114.58 117.37 1i3n h GLU 24 Ca 0.29 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1i3n h GLU 24 Cb 0.12 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1i3n h GLU 24 CO -0.15 0.44 0.00 0.00 -1.16 0.00 0.00 179.01 178.14 1i3n n ALA 25 N -2.46 2.51 -0.59 3.43 0.00 -0.02 -4.89 120.51 118.49 1i3n n ALA 25 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1i3n n ALA 25 Cb 0.44 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1i3n n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3n n GLY 26 N 0.88 0.71 3.93 0.00 0.00 -0.88 -5.05 105.19 104.78 1i3n n GLY 26 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1i3n n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i3n s TYR 27 N -2.05 3.31 -0.39 1.61 2.02 -0.08 -5.02 117.35 116.76 1i3n s TYR 27 Ca 0.00 0.51 0.02 0.00 -0.37 0.00 0.00 57.07 57.23 1i3n s TYR 27 Cb 0.00 -2.46 0.11 0.00 -0.40 0.00 0.00 41.96 39.21 1i3n s TYR 27 CO 0.00 -0.51 0.13 -0.51 -1.57 0.00 0.00 175.55 173.09 1i3n s LEU 28 N -4.75 4.84 0.39 -1.29 1.43 -1.26 -4.40 118.68 113.63 1i3n s LEU 28 Ca 0.50 -2.27 -0.11 0.00 -1.03 0.00 0.00 54.13 51.22 1i3n s LEU 28 Cb -0.10 -1.68 -0.07 0.00 0.03 0.00 0.00 46.19 44.37 1i3n s LEU 28 CO 0.42 -0.40 0.76 -2.16 0.23 0.00 0.00 176.35 175.20 1i3n s PRO 29 N 0.76 3.80 -0.14 1.29 0.04 -1.26 -1.74 135.00 137.75 1i3n s PRO 29 Ca 0.11 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1i3n s PRO 29 Cb -0.21 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 31.95 1i3n s PRO 29 CO -0.06 -0.00 -0.13 0.08 0.04 0.00 0.00 177.00 176.93 1i3n s VAL 30 N -2.31 1.44 -0.07 -0.36 1.01 -0.31 -3.94 120.40 115.87 1i3n s VAL 30 Ca 0.51 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1i3n s VAL 30 Cb -0.10 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1i3n s VAL 30 CO 0.29 0.44 -0.10 -0.69 0.00 0.00 0.00 175.10 175.04 1i3n s VAL 31 N 1.52 3.40 0.07 2.92 1.01 0.16 -0.65 120.40 128.84 1i3n s VAL 31 Ca 0.05 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.51 1i3n s VAL 31 Cb -0.13 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1i3n s VAL 31 CO -0.10 0.58 -0.19 0.27 0.00 0.00 0.00 175.10 175.66 1i3n s ILE 32 N -0.62 1.57 -0.12 2.22 -4.36 -0.75 -0.98 121.20 118.16 1i3n s ILE 32 Ca 0.09 -1.33 -0.30 0.00 -0.26 0.00 0.00 60.65 58.85 1i3n s ILE 32 Cb -0.11 -1.41 0.10 0.00 1.25 0.00 0.00 42.46 42.29 1i3n s ILE 32 CO 0.01 0.03 0.87 -0.62 0.24 0.00 0.00 174.94 175.47 1i3n s ASP 33 N -1.54 -0.49 0.00 4.36 2.15 -1.18 -0.47 116.67 119.50 1i3n s ASP 33 Ca 0.05 0.55 0.15 0.00 0.43 0.00 0.00 52.55 53.74 1i3n s ASP 33 Cb -0.09 0.43 0.31 0.00 -0.30 0.00 0.00 42.92 43.26 1i3n s ASP 33 CO 0.03 -0.44 1.21 -0.46 -0.17 0.00 0.00 175.17 175.34 1i3n n ASN 34 N 0.86 2.90 -0.66 -0.34 6.94 -1.12 -1.02 115.26 122.82 1i3n n ASN 34 Ca -0.14 -1.87 -0.09 0.00 -0.02 0.00 0.00 54.58 52.47 1i3n n ASN 34 Cb 0.57 -0.20 -0.04 0.00 -2.36 0.00 0.00 39.78 37.76 1i3n n ASN 34 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1i3n n PHE 35 N 0.87 0.00 -0.35 -2.53 3.01 -1.26 -4.87 117.46 112.33 1i3n n PHE 35 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.60 1i3n n PHE 35 Cb 0.45 -1.96 0.14 0.00 -0.01 0.00 0.00 39.48 38.10 1i3n n PHE 35 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1i3n h HIS 36 N 0.00 1.16 -0.53 1.38 2.76 -1.99 -3.28 115.15 114.65 1i3n h HIS 36 Ca -0.18 0.03 -0.27 0.00 -2.20 0.00 0.00 60.37 57.75 1i3n h HIS 36 Cb 0.76 -0.38 -0.40 0.00 1.55 0.00 0.00 27.41 28.93 1i3n h HIS 36 CO 0.36 0.64 -1.11 -1.71 -1.30 0.00 0.00 177.93 174.82 1i3n n ASN 37 N -4.50 1.76 -3.86 3.26 5.15 -1.26 -5.06 115.26 110.75 1i3n n ASN 37 Ca 0.13 -2.21 -0.11 0.00 -0.60 0.00 0.00 54.58 51.78 1i3n n ASN 37 Cb 0.12 -0.48 -0.11 0.00 -0.53 0.00 0.00 39.78 38.78 1i3n n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i3n s ALA 38 N -3.71 -0.29 -0.07 5.20 0.00 -1.24 -4.80 121.76 116.85 1i3n s ALA 38 Ca 0.28 0.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.05 1i3n s ALA 38 Cb 0.34 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1i3n s ALA 38 CO -0.03 -0.14 0.68 0.12 0.00 0.00 0.00 175.76 176.39 1i3n s PHE 39 N -0.78 3.57 0.20 0.00 5.36 -1.26 -4.70 117.98 120.37 1i3n s PHE 39 Ca -0.09 1.22 -0.30 0.00 -0.96 0.00 0.00 56.93 56.80 1i3n s PHE 39 Cb -0.05 -2.79 -0.08 0.00 -0.34 0.00 0.00 43.02 39.76 1i3n s PHE 39 CO 0.01 0.09 1.13 1.03 -1.46 0.00 0.00 175.22 176.02 1i3n s ARG 40 N 0.81 4.56 0.73 10.12 0.52 -1.26 -2.02 118.95 132.42 1i3n s ARG 40 Ca 0.37 1.79 -0.11 0.00 -0.52 0.00 0.00 55.73 57.25 1i3n s ARG 40 Cb -0.17 -3.25 0.17 0.00 0.52 0.00 0.00 34.95 32.21 1i3n s ARG 40 CO 0.17 0.04 0.99 0.41 0.02 0.00 0.00 175.30 176.94 1i3n n GLY 41 N 1.94 -1.19 0.17 -3.53 0.00 -0.96 -4.56 105.19 97.05 1i3n n GLY 41 Ca 0.03 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1i3n n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i3n h GLY 42 N -1.25 0.04 0.00 -0.02 0.00 -1.92 -3.45 103.07 96.47 1i3n h GLY 42 Ca -0.32 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1i3n h GLY 42 CO 0.24 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.42 1i3n n GLY 43 N -0.13 2.23 0.24 4.60 0.00 -1.26 -5.03 105.19 105.84 1i3n n GLY 43 Ca -0.02 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 1i3n n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i3n h SER 44 N 0.00 0.80 -4.02 1.61 4.64 -2.02 -3.45 113.55 111.11 1i3n h SER 44 Ca 0.00 -0.39 -0.49 0.00 -0.47 0.00 0.00 61.79 60.43 1i3n h SER 44 Cb 0.00 -0.23 0.05 0.00 -0.31 0.00 0.00 62.40 61.91 1i3n h SER 44 CO 0.00 1.14 0.44 -0.76 -0.87 0.00 0.00 176.83 176.78 1i3n s LEU 45 N -8.61 3.95 0.57 5.97 1.43 -1.26 -4.84 118.68 115.88 1i3n s LEU 45 Ca -0.09 2.15 -0.20 0.00 -1.03 0.00 0.00 54.13 54.96 1i3n s LEU 45 Cb 0.11 -4.36 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 1i3n s LEU 45 CO 0.86 -0.87 1.23 -2.84 0.23 0.00 0.00 176.35 174.96 1i3n s PRO 46 N -2.88 3.11 0.21 1.29 0.02 -1.26 -2.27 135.00 133.22 1i3n s PRO 46 Ca 0.65 1.90 -0.09 0.00 0.02 0.00 0.00 61.00 63.48 1i3n s PRO 46 Cb -0.24 -2.06 0.28 0.00 0.02 0.00 0.00 34.50 32.50 1i3n s PRO 46 CO 0.29 -1.11 1.78 1.49 -0.33 0.00 0.00 177.00 179.11 1i3n h GLU 47 N 1.16 0.54 -0.80 5.54 4.57 -1.65 -0.48 114.58 123.47 1i3n h GLU 47 Ca -0.50 -0.03 0.13 0.00 -1.18 0.00 0.00 59.36 57.77 1i3n h GLU 47 Cb 1.29 -0.12 -0.09 0.00 -0.16 0.00 0.00 28.75 29.67 1i3n h GLU 47 CO 0.56 0.36 0.39 0.66 -1.18 0.00 0.00 179.01 179.80 1i3n h SER 48 N 0.55 0.47 1.00 1.04 4.64 -1.86 -0.73 113.55 118.66 1i3n h SER 48 Ca 0.31 0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.58 1i3n h SER 48 Cb 0.31 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1i3n h SER 48 CO -0.25 0.21 -0.66 -0.07 -0.87 0.00 0.00 176.83 175.20 1i3n h LEU 49 N 0.59 0.00 -0.55 5.97 3.38 -1.62 -1.58 115.31 121.50 1i3n h LEU 49 Ca 0.42 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.34 1i3n h LEU 49 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1i3n h LEU 49 CO -0.34 0.66 0.12 -0.09 0.09 0.00 0.00 178.44 178.87 1i3n h ARG 50 N 0.00 0.89 -0.35 1.13 2.43 -0.05 0.27 114.38 118.70 1i3n h ARG 50 Ca -0.01 -0.22 -0.11 0.00 -0.81 0.00 0.00 59.98 58.83 1i3n h ARG 50 Cb 1.34 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1i3n h ARG 50 CO 0.09 0.84 -0.22 0.00 -1.51 0.00 0.00 179.97 179.16 1i3n h ARG 51 N 0.78 0.68 -0.83 0.20 3.08 -1.01 -2.35 114.38 114.93 1i3n h ARG 51 Ca 0.17 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1i3n h ARG 51 Cb 0.37 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1i3n h ARG 51 CO 0.01 0.85 0.42 0.28 -1.07 0.00 0.00 179.97 180.45 1i3n h VAL 52 N 0.60 1.25 -0.80 2.04 2.07 -0.77 0.15 116.25 120.80 1i3n h VAL 52 Ca 0.09 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.97 1i3n h VAL 52 Cb 0.70 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1i3n h VAL 52 CO 0.05 0.30 0.50 -0.61 0.02 0.00 0.00 177.57 177.83 1i3n h GLN 53 N 1.17 0.92 -0.24 1.57 4.15 -0.54 -1.16 115.11 120.98 1i3n h GLN 53 Ca 0.29 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.60 1i3n h GLN 53 Cb 0.09 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1i3n h GLN 53 CO -0.04 0.61 -0.06 1.49 -1.93 0.00 0.00 178.83 178.90 1i3n h GLU 54 N 0.95 0.46 -0.69 1.69 4.81 -0.85 0.26 114.58 121.22 1i3n h GLU 54 Ca 0.33 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1i3n h GLU 54 Cb 0.07 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1i3n h GLU 54 CO -0.13 0.69 0.43 -0.07 -0.73 0.00 0.00 179.01 179.21 1i3n h LEU 55 N 0.20 0.72 0.00 1.64 3.38 -0.46 -3.12 115.31 117.67 1i3n h LEU 55 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1i3n h LEU 55 Cb 0.53 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1i3n h LEU 55 CO 0.02 0.50 -1.05 0.35 0.09 0.00 0.00 178.44 178.36 1i3n n THR 56 N -4.67 0.46 -1.79 0.22 -2.24 -0.46 -4.95 114.28 100.86 1i3n n THR 56 Ca 0.07 -0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 1i3n n THR 56 Cb 0.08 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 1i3n n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i3n n GLY 57 N 1.24 0.60 3.19 3.38 0.00 0.91 -5.00 105.19 109.51 1i3n n GLY 57 Ca 0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 1i3n n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i3n s ARG 58 N -3.81 1.14 0.30 1.61 0.52 -1.11 -5.04 118.95 112.56 1i3n s ARG 58 Ca 0.00 -0.83 -0.29 0.00 -0.52 0.00 0.00 55.73 54.09 1i3n s ARG 58 Cb 0.00 -1.19 -0.10 0.00 0.52 0.00 0.00 34.95 34.18 1i3n s ARG 58 CO 0.00 0.30 1.12 -1.54 0.02 0.00 0.00 175.30 175.20 1i3n s SER 59 N -1.14 7.14 -0.26 0.23 1.04 -1.26 -4.38 113.70 115.08 1i3n s SER 59 Ca 0.04 2.29 -0.08 0.00 0.48 0.00 0.00 55.95 58.68 1i3n s SER 59 Cb -0.08 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 1i3n s SER 59 CO 0.01 -0.23 0.09 -0.69 0.98 0.00 0.00 173.24 173.40 1i3n s VAL 60 N -1.22 4.40 -0.29 5.02 1.01 -1.26 -4.94 120.40 123.12 1i3n s VAL 60 Ca 0.47 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.02 1i3n s VAL 60 Cb -0.32 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1i3n s VAL 60 CO 0.41 0.30 0.81 -0.70 0.00 0.00 0.00 175.10 175.92 1i3n s GLU 61 N 1.62 4.02 0.05 2.72 2.12 -1.25 -5.01 118.70 122.97 1i3n s GLU 61 Ca 0.06 0.69 0.03 0.00 0.36 0.00 0.00 54.97 56.11 1i3n s GLU 61 Cb -0.15 -3.71 -0.03 0.00 0.26 0.00 0.00 34.13 30.50 1i3n s GLU 61 CO 0.04 -0.66 -0.09 0.12 -0.54 0.00 0.00 175.26 174.13 1i3n s PHE 62 N 2.98 0.80 -0.05 5.30 5.36 -1.26 0.37 117.98 131.48 1i3n s PHE 62 Ca 0.34 -0.51 -0.02 0.00 -0.96 0.00 0.00 56.93 55.78 1i3n s PHE 62 Cb -0.14 -0.47 0.04 0.00 -0.34 0.00 0.00 43.02 42.10 1i3n s PHE 62 CO 0.12 -0.05 0.10 -1.21 -1.46 0.00 0.00 175.22 172.71 1i3n s GLU 63 N -1.74 0.02 -0.07 10.12 0.41 -0.16 -4.94 118.70 122.34 1i3n s GLU 63 Ca -0.07 0.33 -0.30 0.00 -0.41 0.00 0.00 54.97 54.52 1i3n s GLU 63 Cb -0.09 -0.25 -0.03 0.00 -1.78 0.00 0.00 34.13 31.98 1i3n s GLU 63 CO 0.01 -0.20 1.20 -2.00 -0.49 0.00 0.00 175.26 173.77 1i3n s GLU 64 N 1.38 4.34 -0.16 1.61 2.12 -1.26 -3.08 118.70 123.65 1i3n s GLU 64 Ca -0.06 1.66 -0.30 0.00 0.36 0.00 0.00 54.97 56.63 1i3n s GLU 64 Cb -0.12 -3.58 0.12 0.00 0.26 0.00 0.00 34.13 30.80 1i3n s GLU 64 CO -0.05 -0.47 0.95 1.41 -0.54 0.00 0.00 175.26 176.56 1i3n s MET 65 N 2.37 0.65 -0.13 4.30 1.75 -0.19 -4.90 119.30 123.15 1i3n s MET 65 Ca 0.55 0.23 -0.07 0.00 -1.25 0.00 0.00 55.69 55.15 1i3n s MET 65 Cb -0.24 0.31 -0.04 0.00 2.84 0.00 0.00 34.83 37.70 1i3n s MET 65 CO 0.21 -0.19 0.13 0.34 -0.65 0.00 0.00 175.02 174.86 1i3n s ASP 66 N -0.93 6.31 0.43 1.11 -1.08 -1.26 -2.77 116.67 118.48 1i3n s ASP 66 Ca -0.02 0.42 0.30 0.00 -0.52 0.00 0.00 52.55 52.72 1i3n s ASP 66 Cb -0.01 -2.05 1.37 0.00 -1.46 0.00 0.00 42.92 40.77 1i3n s ASP 66 CO 0.02 0.37 1.90 0.16 0.52 0.00 0.00 175.17 178.14 1i3n h ILE 67 N 4.10 0.00 0.00 4.11 3.07 -1.97 -1.06 117.51 125.76 1i3n h ILE 67 Ca -0.53 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 65.63 1i3n h ILE 67 Cb 1.22 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.84 1i3n h ILE 67 CO 0.61 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.89 1i3n n LEU 68 N -2.66 0.00 -4.49 0.16 4.77 -1.26 -4.59 117.00 108.93 1i3n n LEU 68 Ca 0.00 0.40 -0.43 0.00 -0.03 0.00 0.00 56.01 55.95 1i3n n LEU 68 Cb 0.20 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 1i3n n LEU 68 CO 0.21 -0.00 1.05 -0.62 -1.33 0.00 0.00 177.39 176.70 1i3n s ASP 69 N -2.79 6.41 0.13 -1.43 -1.08 -0.40 -4.90 116.67 112.61 1i3n s ASP 69 Ca 0.21 -1.41 -0.21 0.00 -0.52 0.00 0.00 52.55 50.61 1i3n s ASP 69 Cb 0.20 -2.46 -0.02 0.00 -1.46 0.00 0.00 42.92 39.18 1i3n s ASP 69 CO 0.49 -1.37 1.68 -0.61 0.52 0.00 0.00 175.17 175.88 1i3n h GLN 70 N 9.41 -0.12 -0.50 4.34 4.15 -1.86 -1.72 115.11 128.80 1i3n h GLN 70 Ca -0.01 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.45 1i3n h GLN 70 Cb 1.04 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.72 1i3n h GLN 70 CO 1.23 -0.08 0.27 0.78 -1.93 0.00 0.00 178.83 179.10 1i3n h GLY 71 N -0.13 0.71 0.98 2.39 0.00 -1.98 -0.10 103.07 104.95 1i3n h GLY 71 Ca 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1i3n h GLY 71 CO -0.24 0.14 0.27 0.00 0.00 0.00 0.00 176.54 176.71 1i3n h ALA 72 N 1.25 0.72 -0.41 3.60 0.00 -1.88 -1.41 119.26 121.14 1i3n h ALA 72 Ca 0.21 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1i3n h ALA 72 Cb 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1i3n h ALA 72 CO -0.13 0.28 0.09 1.25 0.00 0.00 0.00 179.25 180.74 1i3n h LEU 73 N 0.75 0.63 -0.21 0.00 5.85 -1.13 -1.42 115.31 119.78 1i3n h LEU 73 Ca 0.19 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1i3n h LEU 73 Cb 0.12 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1i3n h LEU 73 CO -0.02 0.71 0.09 1.56 -0.34 0.00 0.00 178.44 180.43 1i3n h GLN 74 N 0.52 0.19 -0.79 1.25 4.20 -0.82 -1.61 115.11 118.05 1i3n h GLN 74 Ca 0.13 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.86 1i3n h GLN 74 Cb 0.33 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 1i3n h GLN 74 CO 0.00 0.13 0.52 0.00 -0.67 0.00 0.00 178.83 178.81 1i3n h ARG 75 N 0.20 0.94 -0.34 1.46 3.08 -1.12 -1.09 114.38 117.50 1i3n h ARG 75 Ca 0.09 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1i3n h ARG 75 Cb 0.04 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1i3n h ARG 75 CO -0.08 0.62 0.16 1.25 -1.07 0.00 0.00 179.97 180.85 1i3n h LEU 76 N 0.96 0.45 -1.37 3.04 5.85 -0.75 0.14 115.31 123.64 1i3n h LEU 76 Ca 0.32 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1i3n h LEU 76 Cb 0.06 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1i3n h LEU 76 CO -0.09 0.46 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.93 1i3n h PHE 77 N 0.41 0.00 0.04 1.25 -1.00 -0.92 -1.77 116.94 114.95 1i3n h PHE 77 Ca 0.12 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.64 1i3n h PHE 77 Cb 0.14 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.71 1i3n h PHE 77 CO -0.01 0.27 -1.06 -0.22 -1.61 0.00 0.00 178.31 175.68 1i3n h LYS 78 N 0.00 0.49 -0.30 1.51 3.64 -0.73 -3.32 116.57 117.85 1i3n h LYS 78 Ca -0.00 -0.58 -0.16 0.00 -1.27 0.00 0.00 60.65 58.64 1i3n h LYS 78 Cb 0.63 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1i3n h LYS 78 CO 0.04 1.22 -0.45 -0.22 -2.27 0.00 0.00 179.45 177.76 1i3n h LYS 79 N 0.25 0.77 -6.07 1.90 3.64 -0.34 -3.45 116.57 113.27 1i3n h LYS 79 Ca -0.12 -0.43 -0.55 0.00 -1.27 0.00 0.00 60.65 58.28 1i3n h LYS 79 Cb 1.72 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 33.49 1i3n h LYS 79 CO 0.19 1.06 -0.54 0.71 -2.27 0.00 0.00 179.45 178.60 1i3n s TYR 80 N -4.24 2.68 -0.59 1.91 2.02 -0.70 -5.07 117.35 113.36 1i3n s TYR 80 Ca -0.09 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.16 1i3n s TYR 80 Cb 0.11 -1.66 0.15 0.00 -0.40 0.00 0.00 41.96 40.17 1i3n s TYR 80 CO 0.86 0.33 0.42 -1.12 -1.57 0.00 0.00 175.55 174.48 1i3n s SER 81 N -3.84 5.41 0.18 2.29 0.01 -1.26 -4.75 113.70 111.74 1i3n s SER 81 Ca 0.38 -2.62 -0.23 0.00 1.31 0.00 0.00 55.95 54.80 1i3n s SER 81 Cb -0.02 -1.89 -0.08 0.00 0.21 0.00 0.00 66.02 64.24 1i3n s SER 81 CO 0.22 -0.45 0.73 -0.36 0.41 0.00 0.00 173.24 173.80 1i3n s PHE 82 N 0.29 3.80 -0.27 2.43 2.99 -1.26 -1.86 117.98 124.10 1i3n s PHE 82 Ca 0.14 1.50 0.22 0.00 0.00 0.00 0.00 56.93 58.80 1i3n s PHE 82 Cb -0.20 -2.68 -0.18 0.00 0.00 0.00 0.00 43.02 39.95 1i3n s PHE 82 CO -0.04 0.46 0.74 0.00 -0.00 0.00 0.00 175.22 176.39 1i3n n MET 83 N 1.29 0.52 -3.53 0.44 0.00 0.92 -4.84 117.12 111.93 1i3n n MET 83 Ca -0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 57.70 57.48 1i3n n MET 83 Cb 0.50 -1.60 -0.02 0.00 0.00 0.00 0.00 33.22 32.10 1i3n n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1i3n s ALA 84 N -3.38 -1.67 -0.05 3.17 0.00 -1.24 -4.55 121.76 114.04 1i3n s ALA 84 Ca -0.03 0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.56 1i3n s ALA 84 Cb 0.13 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.92 1i3n s ALA 84 CO 0.86 -0.79 -0.14 0.08 0.00 0.00 0.00 175.76 175.77 1i3n s VAL 85 N -3.45 1.22 -0.31 0.00 1.01 -0.70 -1.63 120.40 116.54 1i3n s VAL 85 Ca 0.05 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1i3n s VAL 85 Cb -0.01 -1.09 0.04 0.00 0.00 0.00 0.00 36.38 35.32 1i3n s VAL 85 CO -0.08 0.37 0.04 -0.63 0.00 0.00 0.00 175.10 174.80 1i3n s ILE 86 N 0.38 3.41 -0.77 2.22 1.01 0.46 -0.64 121.20 127.28 1i3n s ILE 86 Ca -0.10 -1.16 -0.16 0.00 0.00 0.00 0.00 60.65 59.23 1i3n s ILE 86 Cb -0.14 -2.90 0.17 0.00 0.01 0.00 0.00 42.46 39.61 1i3n s ILE 86 CO 0.03 -0.08 0.79 -2.28 0.00 0.00 0.00 174.94 173.39 1i3n s HIS 87 N 1.35 3.44 -0.08 3.97 2.46 0.37 -1.20 115.29 125.60 1i3n s HIS 87 Ca -0.02 -1.61 0.21 0.00 0.47 0.00 0.00 55.06 54.11 1i3n s HIS 87 Cb -0.19 -3.94 -0.28 0.00 -0.13 0.00 0.00 32.58 28.04 1i3n s HIS 87 CO 0.01 -1.14 0.50 1.19 -2.47 0.00 0.00 174.74 172.83 1i3n n PHE 88 N 5.02 0.15 -1.70 3.88 3.72 -0.73 -2.89 117.46 124.91 1i3n n PHE 88 Ca 0.08 0.05 -0.44 0.00 -0.05 0.00 0.00 57.45 57.09 1i3n n PHE 88 Cb 0.46 -0.64 -0.03 0.00 -0.94 0.00 0.00 39.48 38.32 1i3n n PHE 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i3n n ALA 89 N -2.32 2.24 0.00 4.37 0.00 -1.09 -4.79 120.51 118.92 1i3n n ALA 89 Ca -0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1i3n n ALA 89 Cb 0.66 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1i3n n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3n n GLY 90 N 3.67 -0.19 3.85 0.00 0.00 -1.26 -4.93 105.19 106.34 1i3n n GLY 90 Ca 0.16 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 1i3n n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i3n s LEU 91 N 0.00 4.44 0.31 0.99 1.43 -1.26 -5.03 118.68 119.56 1i3n s LEU 91 Ca 0.00 0.76 0.10 0.00 -1.03 0.00 0.00 54.13 53.96 1i3n s LEU 91 Cb 0.00 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 1i3n s LEU 91 CO 0.00 0.36 -0.08 -1.59 0.23 0.00 0.00 176.35 175.27 1i3n s LYS 92 N -1.07 1.94 0.03 1.70 -2.85 -1.26 -4.96 119.74 113.28 1i3n s LYS 92 Ca 0.20 -1.73 -0.17 0.00 -1.00 0.00 0.00 55.97 53.27 1i3n s LYS 92 Cb -0.15 -1.88 -0.06 0.00 -2.06 0.00 0.00 37.83 33.68 1i3n s LYS 92 CO 0.10 0.24 0.50 0.00 0.10 0.00 0.00 175.35 176.29 1i3n s ALA 93 N -2.50 3.63 -0.30 0.59 0.00 -1.26 -4.83 121.76 117.09 1i3n s ALA 93 Ca 0.32 -0.07 0.10 0.00 0.00 0.00 0.00 51.96 52.31 1i3n s ALA 93 Cb -0.02 -2.54 0.60 0.00 0.00 0.00 0.00 23.12 21.16 1i3n s ALA 93 CO 0.18 0.41 1.62 -1.33 0.00 0.00 0.00 175.76 176.64 1i3n n MET 94 N 1.87 2.65 -0.58 0.00 0.00 -1.26 -4.75 117.12 115.05 1i3n n MET 94 Ca -0.12 -3.06 0.00 0.00 0.00 0.00 0.00 57.70 54.53 1i3n n MET 94 Cb 0.51 -1.99 0.00 0.00 0.00 0.00 0.00 33.22 31.74 1i3n n MET 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1i3n n GLY 95 N -0.74 0.73 0.09 3.03 0.00 -1.26 -4.92 105.19 102.12 1i3n n GLY 95 Ca 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 1i3n n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i3n h GLU 96 N 2.66 -0.10 -0.53 1.61 5.08 -1.90 -3.41 114.58 118.00 1i3n h GLU 96 Ca 0.00 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 1i3n h GLU 96 Cb 0.00 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.17 1i3n h GLU 96 CO 0.00 0.47 -0.14 -1.13 -1.00 0.00 0.00 179.01 177.21 1i3n n SER 97 N -4.81 -0.20 -0.20 1.42 3.41 -1.26 0.07 113.62 112.04 1i3n n SER 97 Ca -0.08 0.91 0.17 0.00 -0.26 0.00 0.00 58.87 59.62 1i3n n SER 97 Cb 0.30 -0.27 0.51 0.00 -0.26 0.00 0.00 64.21 64.49 1i3n n SER 97 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1i3n h VAL 98 N 0.00 0.74 0.00 -3.33 2.07 -1.96 -2.61 116.25 111.16 1i3n h VAL 98 Ca 0.25 -0.14 -0.23 0.00 0.82 0.00 0.00 66.70 67.40 1i3n h VAL 98 Cb 0.38 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1i3n h VAL 98 CO -0.54 0.07 -1.28 1.56 0.02 0.00 0.00 177.57 177.40 1i3n h GLN 99 N 0.41 0.00 -2.22 1.57 1.08 -0.67 -3.41 115.11 111.88 1i3n h GLN 99 Ca 0.42 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 57.05 1i3n h GLN 99 Cb 1.01 0.00 -0.42 0.00 -0.05 0.00 0.00 27.48 28.03 1i3n h GLN 99 CO -0.14 0.72 -0.77 0.36 -0.95 0.00 0.00 178.83 178.05 1i3n n LYS 100 N -3.19 2.68 -0.23 1.46 2.85 -0.99 -4.95 118.16 115.79 1i3n n LYS 100 Ca -0.07 -4.51 0.03 0.00 -1.05 0.00 0.00 58.31 52.71 1i3n n LYS 100 Cb 0.97 -2.11 0.15 0.00 -0.65 0.00 0.00 35.03 33.39 1i3n n LYS 100 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1i3n h PRO 101 N 3.04 0.34 0.00 -1.58 0.13 -1.78 -1.48 132.00 130.68 1i3n h PRO 101 Ca 0.13 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 1i3n h PRO 101 Cb 0.62 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 1i3n h PRO 101 CO 0.75 0.22 -0.08 -0.07 -0.23 0.00 0.00 178.00 178.59 1i3n h LEU 102 N 0.35 0.00 -0.39 1.56 3.38 -1.92 -0.01 115.31 118.28 1i3n h LEU 102 Ca 0.37 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 1i3n h LEU 102 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1i3n h LEU 102 CO -0.41 0.08 -0.09 0.44 0.09 0.00 0.00 178.44 178.55 1i3n h ASP 103 N 0.00 0.75 -0.38 -0.43 3.45 -1.68 0.71 116.42 118.85 1i3n h ASP 103 Ca -0.00 -0.36 -0.04 0.00 0.43 0.00 0.00 57.03 57.06 1i3n h ASP 103 Cb 0.15 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 1i3n h ASP 103 CO 0.01 0.93 0.07 1.88 -1.57 0.00 0.00 179.24 180.57 1i3n h TYR 104 N 0.55 0.65 -0.65 4.55 -1.99 -1.26 0.31 116.97 119.13 1i3n h TYR 104 Ca 0.10 -0.09 -0.06 0.00 2.00 0.00 0.00 58.73 60.68 1i3n h TYR 104 Cb 0.60 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.13 1i3n h TYR 104 CO 0.05 0.65 0.16 1.88 -0.00 0.00 0.00 178.16 180.90 1i3n h TYR 105 N 0.46 1.08 0.40 4.88 0.99 -0.92 0.53 116.97 124.39 1i3n h TYR 105 Ca 0.12 -0.12 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1i3n h TYR 105 Cb 0.34 -0.31 0.00 0.00 1.00 0.00 0.00 36.73 37.77 1i3n h TYR 105 CO 0.02 0.88 -0.19 -0.09 -0.00 0.00 0.00 178.16 178.78 1i3n h ARG 106 N 0.98 -0.52 0.06 4.88 2.43 -0.71 -0.53 114.38 120.97 1i3n h ARG 106 Ca 0.21 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1i3n h ARG 106 Cb 0.35 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1i3n h ARG 106 CO 0.00 -0.23 -0.03 0.28 -1.51 0.00 0.00 179.97 178.48 1i3n h VAL 107 N -1.02 1.10 0.07 0.20 2.07 -0.95 -1.35 116.25 116.36 1i3n h VAL 107 Ca -0.06 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1i3n h VAL 107 Cb 0.53 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1i3n h VAL 107 CO 0.09 0.13 -0.04 0.78 0.02 0.00 0.00 177.57 178.55 1i3n h ASN 108 N -0.30 -0.08 0.32 0.57 2.35 -1.04 -3.05 115.58 114.36 1i3n h ASN 108 Ca -0.01 -0.45 -0.02 0.00 -0.55 0.00 0.00 56.30 55.28 1i3n h ASN 108 Cb 0.27 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1i3n h ASN 108 CO 0.01 0.59 -0.16 0.25 -1.65 0.00 0.00 177.43 176.47 1i3n h LEU 109 N -0.94 -0.37 -1.36 1.61 5.85 -1.38 -1.85 115.31 116.87 1i3n h LEU 109 Ca -0.01 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1i3n h LEU 109 Cb 0.53 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1i3n h LEU 109 CO 0.02 -0.04 -0.12 0.71 -0.34 0.00 0.00 178.44 178.67 1i3n h THR 110 N -0.89 1.18 -0.47 1.05 1.35 -0.78 -0.31 112.91 114.05 1i3n h THR 110 Ca -0.04 -0.80 -0.01 0.00 -0.55 0.00 0.00 66.41 65.00 1i3n h THR 110 Cb 0.33 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.91 1i3n h THR 110 CO 0.07 0.25 0.24 1.23 -0.25 0.00 0.00 175.52 177.06 1i3n h GLY 111 N 0.77 0.72 1.42 5.82 0.00 -1.13 -0.92 103.07 109.74 1i3n h GLY 111 Ca 0.06 -0.34 -0.17 0.00 0.00 0.00 0.00 47.33 46.87 1i3n h GLY 111 CO 0.02 0.33 -0.57 -0.84 0.00 0.00 0.00 176.54 175.48 1i3n h THR 112 N 0.62 1.32 -0.35 4.70 2.02 -0.86 -1.59 112.91 118.76 1i3n h THR 112 Ca 0.16 -1.82 0.03 0.00 0.77 0.00 0.00 66.41 65.56 1i3n h THR 112 Cb 0.09 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1i3n h THR 112 CO -0.02 0.57 0.16 0.40 0.37 0.00 0.00 175.52 176.99 1i3n h ILE 113 N 0.46 0.96 -0.56 3.11 2.04 -0.82 0.72 117.51 123.41 1i3n h ILE 113 Ca 0.00 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1i3n h ILE 113 Cb 1.13 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1i3n h ILE 113 CO 0.11 0.06 0.34 -0.61 0.00 0.00 0.00 178.15 178.05 1i3n h GLN 114 N 0.33 0.66 -0.28 2.37 4.15 -1.09 0.15 115.11 121.39 1i3n h GLN 114 Ca 0.15 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1i3n h GLN 114 Cb 0.08 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1i3n h GLN 114 CO -0.12 0.44 0.18 1.25 -1.93 0.00 0.00 178.83 178.65 1i3n h LEU 115 N 0.68 0.33 -0.66 -2.39 5.85 -0.82 -0.09 115.31 118.21 1i3n h LEU 115 Ca 0.22 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1i3n h LEU 115 Cb 0.01 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1i3n h LEU 115 CO -0.09 0.26 0.40 -0.07 -0.34 0.00 0.00 178.44 178.60 1i3n h LEU 116 N 0.38 0.79 -0.65 2.25 3.38 -0.39 0.14 115.31 121.20 1i3n h LEU 116 Ca 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1i3n h LEU 116 Cb -0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1i3n h LEU 116 CO -0.02 0.62 0.37 -0.33 0.09 0.00 0.00 178.44 179.17 1i3n h GLU 117 N 0.90 0.90 -0.38 1.13 5.08 -0.34 -0.53 114.58 121.33 1i3n h GLU 117 Ca 0.24 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 1i3n h GLU 117 Cb -0.03 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1i3n h GLU 117 CO -0.05 0.66 -0.17 0.82 -1.00 0.00 0.00 179.01 179.27 1i3n h ILE 118 N 0.89 1.26 0.36 3.13 2.04 -0.67 -1.35 117.51 123.17 1i3n h ILE 118 Ca 0.23 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 1i3n h ILE 118 Cb 0.01 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1i3n h ILE 118 CO -0.04 0.41 -0.17 0.24 0.00 0.00 0.00 178.15 178.59 1i3n h MET 119 N 0.63 -0.46 -0.09 2.37 2.86 -0.47 -1.51 114.93 118.26 1i3n h MET 119 Ca 0.10 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1i3n h MET 119 Cb 0.65 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.36 1i3n h MET 119 CO 0.05 -0.29 -0.21 -0.22 1.06 0.00 0.00 176.91 177.30 1i3n h LYS 120 N -0.51 -0.27 -0.37 1.72 3.64 -0.96 0.71 116.57 120.53 1i3n h LYS 120 Ca -0.05 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.44 1i3n h LYS 120 Cb 0.39 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1i3n h LYS 120 CO 0.08 -0.18 0.26 0.00 -2.27 0.00 0.00 179.45 177.34 1i3n h ALA 121 N 0.69 2.27 -0.62 5.00 0.00 -1.17 -0.52 119.26 124.90 1i3n h ALA 121 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1i3n h ALA 121 Cb 0.41 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1i3n h ALA 121 CO -0.26 -0.37 0.00 0.72 0.00 0.00 0.00 179.25 179.34 1i3n n HIS 122 N -4.44 1.06 -1.68 0.00 8.25 -0.57 -4.94 115.22 112.89 1i3n n HIS 122 Ca 0.06 -0.48 -0.09 0.00 -0.26 0.00 0.00 57.72 56.95 1i3n n HIS 122 Cb 0.40 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.40 1i3n n HIS 122 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i3n n GLY 123 N 1.34 0.59 3.25 -1.41 0.00 -0.20 -5.00 105.19 103.76 1i3n n GLY 123 Ca 0.22 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 1i3n n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i3n s VAL 124 N -2.40 3.87 -0.24 1.61 1.01 0.15 -4.97 120.40 119.44 1i3n s VAL 124 Ca 0.00 -1.32 0.11 0.00 0.00 0.00 0.00 61.98 60.76 1i3n s VAL 124 Cb 0.00 -3.30 0.45 0.00 0.00 0.00 0.00 36.38 33.52 1i3n s VAL 124 CO 0.00 -0.34 1.19 0.29 0.00 0.00 0.00 175.10 176.24 1i3n n LYS 125 N 4.82 2.47 -4.01 2.72 5.02 -1.26 -3.82 118.16 124.10 1i3n n LYS 125 Ca -0.11 -3.65 -0.30 0.00 -2.02 0.00 0.00 58.31 52.23 1i3n n LYS 125 Cb 0.44 -1.84 -0.16 0.00 -0.02 0.00 0.00 35.03 33.45 1i3n n LYS 125 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1i3n s ASN 126 N -3.38 3.06 0.02 4.39 0.01 -1.25 -1.12 114.94 116.67 1i3n s ASN 126 Ca 0.43 -0.70 0.03 0.00 -0.71 0.00 0.00 52.86 51.91 1i3n s ASN 126 Cb 0.39 -1.21 -0.02 0.00 0.41 0.00 0.00 41.25 40.82 1i3n s ASN 126 CO -0.02 -0.10 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.15 1i3n s LEU 127 N 1.44 2.14 -0.18 0.60 2.96 -0.33 -1.72 118.68 123.60 1i3n s LEU 127 Ca 0.02 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1i3n s LEU 127 Cb -0.15 -0.36 0.02 0.00 0.50 0.00 0.00 46.19 46.20 1i3n s LEU 127 CO -0.09 -0.03 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.03 1i3n s VAL 128 N -0.78 2.18 -0.10 1.68 1.01 0.19 -0.56 120.40 124.02 1i3n s VAL 128 Ca -0.02 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1i3n s VAL 128 Cb -0.07 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1i3n s VAL 128 CO 0.00 0.53 -0.13 0.12 0.00 0.00 0.00 175.10 175.63 1i3n s PHE 129 N 1.22 2.78 -0.74 5.22 2.19 -0.24 -0.48 117.98 127.93 1i3n s PHE 129 Ca 0.03 -0.44 -0.27 0.00 0.33 0.00 0.00 56.93 56.58 1i3n s PHE 129 Cb -0.14 -1.76 0.03 0.00 -1.31 0.00 0.00 43.02 39.84 1i3n s PHE 129 CO -0.10 -0.05 1.34 -1.12 1.83 0.00 0.00 175.22 177.12 1i3n s SER 130 N -0.07 6.09 0.00 6.13 0.01 -1.14 -1.61 113.70 123.11 1i3n s SER 130 Ca -0.02 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1i3n s SER 130 Cb -0.14 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1i3n s SER 130 CO 0.04 -1.87 0.00 -0.24 0.41 0.00 0.00 173.24 171.57 1i3n n SER 131 N 9.68 0.39 -3.69 2.44 2.88 0.20 -4.96 113.62 120.56 1i3n n SER 131 Ca 0.06 -0.99 -0.12 0.00 -1.33 0.00 0.00 58.87 56.49 1i3n n SER 131 Cb 0.49 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 1i3n n SER 131 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1i3n s SER 132 N -1.00 -0.22 0.03 -3.46 0.15 -1.26 -2.34 113.70 105.61 1i3n s SER 132 Ca 0.00 -0.10 0.09 0.00 0.70 0.00 0.00 55.95 56.64 1i3n s SER 132 Cb 0.00 0.41 0.38 0.00 -1.71 0.00 0.00 66.02 65.10 1i3n s SER 132 CO 0.00 -0.67 1.27 0.00 1.20 0.00 0.00 173.24 175.04 1i3n n ALA 133 N 0.45 1.32 0.27 5.45 0.00 -0.26 -1.99 120.51 125.74 1i3n n ALA 133 Ca -0.18 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.40 1i3n n ALA 133 Cb 0.60 -1.14 0.74 0.00 0.00 0.00 0.00 19.45 19.65 1i3n n ALA 133 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1i3n h THR 134 N 0.00 0.40 -0.04 0.00 1.35 -1.93 -2.32 112.91 110.38 1i3n h THR 134 Ca 0.00 -0.55 0.01 0.00 -0.55 0.00 0.00 66.41 65.32 1i3n h THR 134 Cb 0.13 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1i3n h THR 134 CO 0.00 0.10 0.05 -0.37 -0.25 0.00 0.00 175.52 175.05 1i3n h VAL 135 N 0.00 0.47 0.00 6.82 -1.51 -1.67 -0.90 116.25 119.46 1i3n h VAL 135 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1i3n h VAL 135 Cb 0.39 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1i3n h VAL 135 CO 0.01 0.00 0.00 1.88 -1.23 0.00 0.00 177.57 178.23 1i3n h TYR 136 N 0.00 0.00 -0.24 5.19 -1.99 -1.62 0.14 116.97 118.45 1i3n h TYR 136 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1i3n h TYR 136 Cb 0.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.85 1i3n h TYR 136 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1i3n n GLY 137 N 0.42 -0.06 3.63 3.88 0.00 -0.35 -4.54 105.19 108.17 1i3n n GLY 137 Ca 0.03 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 1i3n n GLY 137 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i3n s ASN 138 N -4.00 6.49 0.09 1.61 3.04 -1.26 -4.91 114.94 116.00 1i3n s ASN 138 Ca 0.00 1.43 -0.36 0.00 0.04 0.00 0.00 52.86 53.97 1i3n s ASN 138 Cb 0.00 -2.54 -0.17 0.00 -1.54 0.00 0.00 41.25 37.01 1i3n s ASN 138 CO 0.00 -1.20 1.31 -2.65 -3.04 0.00 0.00 177.10 171.52 1i3n n PRO 139 N 7.54 1.10 0.04 0.43 -0.02 -1.26 -4.85 135.00 137.97 1i3n n PRO 139 Ca 0.17 0.40 0.11 0.00 -2.02 0.00 0.00 63.50 62.16 1i3n n PRO 139 Cb 0.46 -2.02 0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1i3n n PRO 139 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1i3n n GLN 140 N 2.40 0.34 -3.66 -0.52 6.02 -1.26 -4.96 117.38 115.74 1i3n n GLN 140 Ca 0.18 0.01 -0.05 0.00 -0.01 0.00 0.00 57.00 57.13 1i3n n GLN 140 Cb 0.19 -1.63 -0.02 0.00 1.02 0.00 0.00 30.24 29.81 1i3n n GLN 140 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1i3n s TYR 141 N -3.23 -0.21 0.04 1.08 1.13 -1.26 -5.18 117.35 109.72 1i3n s TYR 141 Ca 0.03 -0.03 0.01 0.00 -1.41 0.00 0.00 57.07 55.67 1i3n s TYR 141 Cb 0.14 0.60 -0.02 0.00 -1.10 0.00 0.00 41.96 41.58 1i3n s TYR 141 CO 0.80 -0.73 -0.06 -0.51 -2.51 0.00 0.00 175.55 172.53 1i3n s LEU 142 N -2.78 2.27 0.92 -3.49 1.43 -1.26 -4.32 118.68 111.45 1i3n s LEU 142 Ca 0.09 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 1i3n s LEU 142 Cb -0.01 -0.07 0.14 0.00 0.03 0.00 0.00 46.19 46.28 1i3n s LEU 142 CO -0.02 -0.26 1.10 -2.16 0.23 0.00 0.00 176.35 175.24 1i3n s PRO 143 N -1.75 1.04 -0.39 1.29 0.04 -1.26 -5.08 135.00 128.88 1i3n s PRO 143 Ca -0.10 0.55 -0.25 0.00 0.04 0.00 0.00 61.00 61.24 1i3n s PRO 143 Cb -0.09 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.67 1i3n s PRO 143 CO -0.01 -2.32 0.89 -0.51 0.04 0.00 0.00 177.00 175.09 1i3n s LEU 144 N -6.20 4.03 0.45 -3.56 1.43 -0.26 -4.74 118.68 109.83 1i3n s LEU 144 Ca 0.64 0.40 0.06 0.00 -1.03 0.00 0.00 54.13 54.20 1i3n s LEU 144 Cb -0.17 -3.19 0.01 0.00 0.03 0.00 0.00 46.19 42.87 1i3n s LEU 144 CO 0.56 -0.88 0.62 1.51 0.23 0.00 0.00 176.35 178.38 1i3n s ASP 145 N 1.98 5.59 0.60 2.29 -4.77 -1.26 -1.29 116.67 119.81 1i3n s ASP 145 Ca 0.36 -0.28 0.33 0.00 -3.30 0.00 0.00 52.55 49.66 1i3n s ASP 145 Cb -0.12 -0.78 1.91 0.00 -1.09 0.00 0.00 42.92 42.84 1i3n s ASP 145 CO 0.20 -0.83 2.26 -0.33 0.70 0.00 0.00 175.17 177.17 1i3n h GLU 146 N 0.51 0.00 0.00 2.11 3.07 -1.93 -1.18 114.58 117.16 1i3n h GLU 146 Ca -0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 1i3n h GLU 146 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1i3n h GLU 146 CO 0.48 0.01 0.00 0.00 -1.40 0.00 0.00 179.01 178.10 1i3n n ALA 147 N -2.26 2.21 -1.73 3.43 0.00 -1.26 -4.86 120.51 116.04 1i3n n ALA 147 Ca -0.03 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 1i3n n ALA 147 Cb 0.10 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1i3n n ALA 147 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1i3n n HIS 148 N -1.63 2.51 -1.60 0.00 -0.00 -0.45 -4.89 115.22 109.16 1i3n n HIS 148 Ca 0.06 0.49 -0.38 0.00 -0.00 0.00 0.00 57.72 57.89 1i3n n HIS 148 Cb 0.33 -2.45 0.05 0.00 -0.00 0.00 0.00 29.99 27.92 1i3n n HIS 148 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1i3n n PRO 149 N 0.26 0.93 -4.27 1.57 -0.02 -1.26 -4.98 135.00 127.24 1i3n n PRO 149 Ca 0.04 0.36 -0.21 0.00 -2.02 0.00 0.00 63.50 61.67 1i3n n PRO 149 Cb 0.39 -2.11 -0.12 0.00 -0.02 0.00 0.00 33.50 31.64 1i3n n PRO 149 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1i3n s THR 150 N -1.50 1.54 0.00 3.45 -4.23 -1.26 -4.43 115.64 109.21 1i3n s THR 150 Ca 0.73 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1i3n s THR 150 Cb -0.44 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 71.87 1i3n s THR 150 CO 0.49 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 1i3n n GLY 151 N 0.81 0.74 0.16 3.99 0.00 0.51 -5.00 105.19 106.40 1i3n n GLY 151 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1i3n n GLY 151 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i3n h GLY 152 N 0.00 -0.32 -1.00 -0.02 0.00 -1.83 -3.48 103.07 96.42 1i3n h GLY 152 Ca 0.00 0.12 -0.39 0.00 0.00 0.00 0.00 47.33 47.05 1i3n h GLY 152 CO 0.00 -0.11 0.21 0.00 0.00 0.00 0.00 176.54 176.63 1i3n n THR 154 N -3.05 0.00 -3.47 0.00 -2.24 -1.26 -4.68 114.28 99.58 1i3n n THR 154 Ca 0.14 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.73 1i3n n THR 154 Cb 0.51 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 1i3n n THR 154 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1i3n s ASN 155 N 0.00 5.71 0.42 3.42 2.20 -1.26 -4.99 114.94 120.44 1i3n s ASN 155 Ca 0.00 -0.33 0.09 0.00 -0.94 0.00 0.00 52.86 51.68 1i3n s ASN 155 Cb 0.00 -1.03 0.92 0.00 -2.00 0.00 0.00 41.25 39.13 1i3n s ASN 155 CO 0.00 -0.49 2.06 -0.65 -2.94 0.00 0.00 177.10 175.09 1i3n h PRO 156 N 0.93 0.43 0.13 3.55 0.11 -1.93 0.14 132.00 135.37 1i3n h PRO 156 Ca -0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1i3n h PRO 156 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1i3n h PRO 156 CO 0.53 0.31 -0.06 -0.92 -0.21 0.00 0.00 178.00 177.64 1i3n h TYR 157 N 0.44 -0.16 -0.87 0.65 5.03 -1.95 -0.73 116.97 119.37 1i3n h TYR 157 Ca 0.12 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 1i3n h TYR 157 Cb -0.02 0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.28 1i3n h TYR 157 CO 0.00 0.08 0.46 0.78 -1.32 0.00 0.00 178.16 178.17 1i3n h GLY 158 N -0.40 1.32 1.00 1.82 0.00 -1.81 -2.43 103.07 102.57 1i3n h GLY 158 Ca -0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1i3n h GLY 158 CO 0.03 0.59 0.36 0.50 0.00 0.00 0.00 176.54 178.02 1i3n h LYS 159 N 1.23 0.97 -0.81 4.80 1.57 -0.66 -1.61 116.57 122.06 1i3n h LYS 159 Ca 0.31 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 1i3n h LYS 159 Cb 0.06 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.13 1i3n h LYS 159 CO -0.05 0.75 0.50 0.66 -0.57 0.00 0.00 179.45 180.74 1i3n h SER 160 N 0.95 0.79 -0.45 0.86 4.64 -0.74 0.23 113.55 119.83 1i3n h SER 160 Ca 0.24 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.52 1i3n h SER 160 Cb 0.08 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1i3n h SER 160 CO -0.03 0.52 0.09 0.11 -0.87 0.00 0.00 176.83 176.64 1i3n h LYS 161 N 0.93 0.74 -0.27 4.77 1.79 -1.00 -1.81 116.57 121.71 1i3n h LYS 161 Ca 0.35 -0.19 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 1i3n h LYS 161 Cb 0.14 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1i3n h LYS 161 CO -0.16 0.75 0.10 0.35 -1.08 0.00 0.00 179.45 179.41 1i3n h PHE 162 N 0.60 0.41 -0.84 -1.35 3.57 -0.63 -0.95 116.94 117.76 1i3n h PHE 162 Ca 0.14 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1i3n h PHE 162 Cb 0.36 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1i3n h PHE 162 CO 0.02 0.42 0.55 0.74 -2.23 0.00 0.00 178.31 177.82 1i3n h PHE 163 N 0.28 1.05 -0.22 0.41 0.04 -0.47 -0.51 116.94 117.51 1i3n h PHE 163 Ca 0.09 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 1i3n h PHE 163 Cb 0.19 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 1i3n h PHE 163 CO -0.01 0.66 0.05 0.82 -0.60 0.00 0.00 178.31 179.24 1i3n h ILE 164 N 1.13 1.21 -0.50 -0.55 2.04 -1.05 0.21 117.51 120.00 1i3n h ILE 164 Ca 0.31 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.55 1i3n h ILE 164 Cb -0.13 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1i3n h ILE 164 CO -0.07 0.21 0.22 -0.33 0.00 0.00 0.00 178.15 178.19 1i3n h GLU 165 N 0.17 0.43 -0.45 2.37 5.08 -0.68 -1.30 114.58 120.19 1i3n h GLU 165 Ca 0.07 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1i3n h GLU 165 Cb 0.27 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1i3n h GLU 165 CO 0.00 0.28 0.26 0.93 -1.00 0.00 0.00 179.01 179.48 1i3n h GLU 166 N 0.44 0.50 -0.82 2.33 4.39 -0.71 0.79 114.58 121.50 1i3n h GLU 166 Ca 0.23 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 1i3n h GLU 166 Cb 0.18 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 1i3n h GLU 166 CO -0.19 0.33 0.47 0.52 -1.16 0.00 0.00 179.01 178.98 1i3n h MET 167 N 0.52 1.12 -0.43 2.33 2.86 -0.47 -1.99 114.93 118.88 1i3n h MET 167 Ca 0.18 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 1i3n h MET 167 Cb 0.03 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 1i3n h MET 167 CO -0.09 0.81 -0.14 0.82 1.06 0.00 0.00 176.91 179.36 1i3n h ILE 168 N 1.13 1.26 -0.73 -1.22 2.04 -0.57 -1.32 117.51 118.11 1i3n h ILE 168 Ca 0.29 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 64.94 1i3n h ILE 168 Cb -0.01 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1i3n h ILE 168 CO -0.05 0.42 0.47 0.03 0.00 0.00 0.00 178.15 179.02 1i3n h ARG 169 N 0.71 0.92 -0.44 2.37 3.08 -0.49 -0.76 114.38 119.77 1i3n h ARG 169 Ca 0.11 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 1i3n h ARG 169 Cb 0.64 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1i3n h ARG 169 CO 0.04 0.61 0.02 -0.44 -1.07 0.00 0.00 179.97 179.14 1i3n h ASP 170 N 0.95 0.74 -0.66 7.04 3.45 -1.12 -1.32 116.42 125.51 1i3n h ASP 170 Ca 0.27 -0.29 0.05 0.00 0.43 0.00 0.00 57.03 57.49 1i3n h ASP 170 Cb -0.07 -0.20 -0.05 0.00 -0.56 0.00 0.00 39.33 38.45 1i3n h ASP 170 CO -0.08 0.85 0.38 0.25 -1.57 0.00 0.00 179.24 179.08 1i3n h LEU 171 N 0.61 0.59 -0.82 1.55 5.85 -0.88 0.66 115.31 122.87 1i3n h LEU 171 Ca 0.13 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 1i3n h LEU 171 Cb 0.46 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1i3n h LEU 171 CO 0.02 0.39 -0.24 0.00 -0.34 0.00 0.00 178.44 178.27 1i3n h GLN 173 N 0.54 0.76 -0.01 0.00 5.75 -0.66 -3.16 115.11 118.32 1i3n h GLN 173 Ca 0.08 -0.16 -0.21 0.00 -0.15 0.00 0.00 58.65 58.21 1i3n h GLN 173 Cb 0.70 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.14 1i3n h GLN 173 CO 0.05 0.71 -0.87 0.00 -2.65 0.00 0.00 178.83 176.07 1i3n h ALA 174 N 1.01 0.47 -3.49 3.38 0.00 -0.67 -3.41 119.26 116.55 1i3n h ALA 174 Ca 0.16 -0.69 -0.59 0.00 0.00 0.00 0.00 54.91 53.78 1i3n h ALA 174 Cb 0.27 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 17.62 1i3n h ALA 174 CO -0.01 0.84 -0.77 0.34 0.00 0.00 0.00 179.25 179.65 1i3n s ASP 175 N -7.01 3.81 0.03 0.00 3.68 -0.33 -4.98 116.67 111.87 1i3n s ASP 175 Ca -0.05 -1.29 0.12 0.00 2.13 0.00 0.00 52.55 53.46 1i3n s ASP 175 Cb 0.10 -1.06 0.51 0.00 -1.45 0.00 0.00 42.92 41.01 1i3n s ASP 175 CO 0.85 -0.29 1.38 0.29 0.13 0.00 0.00 175.17 177.52 1i3n n LYS 176 N 4.73 0.02 0.23 4.34 4.76 -1.24 -2.36 118.16 128.65 1i3n n LYS 176 Ca -0.08 0.33 0.14 0.00 -2.87 0.00 0.00 58.31 55.83 1i3n n LYS 176 Cb 0.44 -1.54 0.40 0.00 -1.84 0.00 0.00 35.03 32.49 1i3n n LYS 176 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1i3n h THR 177 N 0.00 0.00 -3.97 -0.18 1.35 -1.94 -3.45 112.91 104.73 1i3n h THR 177 Ca 0.00 -0.75 -0.48 0.00 -0.55 0.00 0.00 66.41 64.62 1i3n h THR 177 Cb 0.19 1.74 0.02 0.00 -1.73 0.00 0.00 68.15 68.37 1i3n h THR 177 CO 0.00 0.00 0.42 0.26 -0.25 0.00 0.00 175.52 175.95 1i3n s TRP 178 N -3.39 3.22 -0.06 4.73 0.52 -0.99 -4.92 118.94 118.06 1i3n s TRP 178 Ca 0.05 1.63 0.02 0.00 0.02 0.00 0.00 56.10 57.82 1i3n s TRP 178 Cb 0.07 -3.14 0.01 0.00 -1.15 0.00 0.00 33.47 29.26 1i3n s TRP 178 CO 0.61 -0.70 -0.11 -0.80 0.02 0.00 0.00 176.95 175.96 1i3n s ASN 179 N -1.57 1.60 -0.15 2.95 0.01 -0.28 -4.02 114.94 113.48 1i3n s ASN 179 Ca 0.59 -0.26 -0.09 0.00 -0.71 0.00 0.00 52.86 52.38 1i3n s ASN 179 Cb -0.22 -0.72 0.05 0.00 0.41 0.00 0.00 41.25 40.77 1i3n s ASN 179 CO 0.28 0.02 0.37 0.68 -1.51 0.00 0.00 177.10 176.94 1i3n s VAL 180 N 0.65 -0.03 -0.26 1.60 -7.23 -0.06 -1.19 120.40 113.90 1i3n s VAL 180 Ca -0.13 0.09 -0.04 0.00 -1.81 0.00 0.00 61.98 60.09 1i3n s VAL 180 Cb -0.15 -0.55 0.01 0.00 0.56 0.00 0.00 36.38 36.25 1i3n s VAL 180 CO 0.03 0.04 -0.00 -0.69 -0.31 0.00 0.00 175.10 174.16 1i3n s VAL 181 N 1.21 3.44 -0.30 1.32 1.01 0.28 -0.82 120.40 126.54 1i3n s VAL 181 Ca -0.08 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 1i3n s VAL 181 Cb -0.08 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1i3n s VAL 181 CO -0.10 0.23 0.27 -0.76 0.00 0.00 0.00 175.10 174.74 1i3n s LEU 182 N 1.44 4.18 -0.29 3.92 1.43 -0.02 -1.07 118.68 128.27 1i3n s LEU 182 Ca 0.03 -0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 52.99 1i3n s LEU 182 Cb -0.16 -2.23 -0.00 0.00 0.03 0.00 0.00 46.19 43.83 1i3n s LEU 182 CO -0.02 -0.16 0.10 -0.76 0.23 0.00 0.00 176.35 175.75 1i3n s LEU 183 N 1.86 3.84 -0.73 1.79 1.43 -0.63 -1.17 118.68 125.07 1i3n s LEU 183 Ca 0.09 -0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 1i3n s LEU 183 Cb -0.16 -1.93 0.12 0.00 0.03 0.00 0.00 46.19 44.25 1i3n s LEU 183 CO 0.11 -0.16 0.88 -0.13 0.23 0.00 0.00 176.35 177.28 1i3n s ARG 184 N 1.57 3.28 0.51 1.70 0.52 0.23 0.62 118.95 127.38 1i3n s ARG 184 Ca 0.04 -1.51 -0.20 0.00 -0.52 0.00 0.00 55.73 53.55 1i3n s ARG 184 Cb -0.17 -4.46 -0.07 0.00 0.52 0.00 0.00 34.95 30.77 1i3n s ARG 184 CO 0.04 -1.62 1.06 0.71 0.02 0.00 0.00 175.30 175.51 1i3n s TYR 185 N 2.60 2.91 0.00 -0.53 2.02 -0.99 -0.89 117.35 122.48 1i3n s TYR 185 Ca 0.20 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.46 1i3n s TYR 185 Cb -0.16 -3.12 0.00 0.00 -0.40 0.00 0.00 41.96 38.29 1i3n s TYR 185 CO 0.01 -1.04 0.00 1.19 -1.57 0.00 0.00 175.55 174.13 1i3n n PHE 186 N -1.15 0.00 -3.66 2.71 3.72 -0.76 -1.10 117.46 117.22 1i3n n PHE 186 Ca 0.10 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.12 1i3n n PHE 186 Cb 0.52 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.98 1i3n n PHE 186 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1i3n s ASN 187 N -1.00 5.48 0.30 4.37 -0.87 -0.67 -4.78 114.94 117.77 1i3n s ASN 187 Ca 0.00 -2.72 -0.29 0.00 -1.57 0.00 0.00 52.86 48.28 1i3n s ASN 187 Cb 0.00 -1.91 -0.11 0.00 -0.02 0.00 0.00 41.25 39.21 1i3n s ASN 187 CO 0.00 -0.43 1.50 -2.84 -2.57 0.00 0.00 177.10 172.77 1i3n s PRO 188 N 0.14 4.18 0.29 -0.60 0.02 -1.26 -1.07 135.00 136.70 1i3n s PRO 188 Ca 0.16 2.47 -0.10 0.00 0.02 0.00 0.00 61.00 63.54 1i3n s PRO 188 Cb -0.19 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1i3n s PRO 188 CO -0.04 -0.51 0.50 -0.08 -0.33 0.00 0.00 177.00 176.54 1i3n s THR 189 N -0.31 0.00 0.00 0.99 -1.32 0.28 -4.85 115.64 110.43 1i3n s THR 189 Ca 0.59 -1.43 0.00 0.00 -1.21 0.00 0.00 61.69 59.64 1i3n s THR 189 Cb -0.45 -2.39 0.00 0.00 -1.51 0.00 0.00 72.50 68.14 1i3n s THR 189 CO 0.50 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.52 1i3n n GLY 190 N -0.44 -1.92 3.70 6.08 0.00 -1.26 0.42 105.19 111.76 1i3n n GLY 190 Ca -0.02 -1.62 -0.07 0.00 0.00 0.00 0.00 46.02 44.32 1i3n n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3n s ALA 191 N -1.32 -1.49 0.38 4.61 0.00 -1.26 -4.57 121.76 118.11 1i3n s ALA 191 Ca 0.00 0.13 -0.26 0.00 0.00 0.00 0.00 51.96 51.82 1i3n s ALA 191 Cb 0.00 0.75 -0.11 0.00 0.00 0.00 0.00 23.12 23.76 1i3n s ALA 191 CO 0.00 -0.94 1.16 1.58 0.00 0.00 0.00 175.76 177.55 1i3n n HIS 192 N -0.42 1.75 0.26 0.00 -0.00 -1.25 -4.77 115.22 110.79 1i3n n HIS 192 Ca -0.08 0.56 0.17 0.00 0.46 0.00 0.00 57.72 58.83 1i3n n HIS 192 Cb 0.61 -2.32 0.88 0.00 -0.12 0.00 0.00 29.99 29.04 1i3n n HIS 192 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1i3n h ALA 193 N 2.03 1.00 0.00 1.57 0.00 -1.92 -1.61 119.26 120.32 1i3n h ALA 193 Ca -0.45 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1i3n h ALA 193 Cb 1.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1i3n h ALA 193 CO 0.60 0.00 -0.37 0.66 0.00 0.00 0.00 179.25 180.14 1i3n h SER 194 N 0.00 0.00 0.00 0.00 4.64 -1.94 -3.47 113.55 112.79 1i3n h SER 194 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i3n h SER 194 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1i3n h SER 194 CO 0.00 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 1i3n n GLY 195 N -0.41 0.85 0.16 -0.77 0.00 -0.61 -4.92 105.19 99.49 1i3n n GLY 195 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 1i3n n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3n s ILE 197 N -3.04 0.75 0.00 0.00 -4.36 -1.26 -5.02 121.20 108.27 1i3n s ILE 197 Ca 0.04 -1.74 0.00 0.00 -0.26 0.00 0.00 60.65 58.69 1i3n s ILE 197 Cb 0.07 -1.45 0.00 0.00 1.25 0.00 0.00 42.46 42.33 1i3n s ILE 197 CO 0.73 -0.72 0.00 0.61 0.24 0.00 0.00 174.94 175.80 1i3n n GLY 198 N 0.32 0.54 3.70 6.27 0.00 -1.26 -3.77 105.19 111.00 1i3n n GLY 198 Ca -0.15 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1i3n n GLY 198 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i3n s GLU 199 N -0.86 4.44 -0.62 1.61 2.12 -1.26 -4.82 118.70 119.31 1i3n s GLU 199 Ca 0.00 1.61 0.06 0.00 0.36 0.00 0.00 54.97 56.99 1i3n s GLU 199 Cb 0.00 -3.46 0.21 0.00 0.26 0.00 0.00 34.13 31.14 1i3n s GLU 199 CO 0.00 -0.27 0.59 -3.47 -0.54 0.00 0.00 175.26 171.57 1i3n n ASP 200 N 4.44 2.68 -4.77 -1.70 2.03 -1.26 -5.00 116.55 112.98 1i3n n ASP 200 Ca 0.09 -3.17 -0.38 0.00 0.52 0.00 0.00 54.79 51.84 1i3n n ASP 200 Cb 0.48 -0.69 -0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1i3n n ASP 200 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1i3n s PRO 201 N -1.70 3.82 -0.27 -0.67 0.04 -1.26 -4.97 135.00 129.99 1i3n s PRO 201 Ca 0.33 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.29 1i3n s PRO 201 Cb 0.07 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1i3n s PRO 201 CO -0.10 -0.57 0.16 -0.65 0.04 0.00 0.00 177.00 175.87 1i3n s GLN 202 N -2.45 3.90 1.50 4.56 -0.21 -1.26 -4.96 119.66 120.74 1i3n s GLN 202 Ca 0.60 -0.35 0.00 0.00 0.02 0.00 0.00 55.36 55.63 1i3n s GLN 202 Cb -0.35 -3.56 0.00 0.00 1.00 0.00 0.00 33.01 30.10 1i3n s GLN 202 CO 0.43 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.87 1i3n n GLY 203 N 4.90 -1.58 3.66 3.09 0.00 -1.26 -4.76 105.19 109.23 1i3n n GLY 203 Ca -0.15 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 1i3n n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i3n s ILE 204 N 0.00 4.14 0.32 -0.61 1.01 -1.26 -4.97 121.20 119.83 1i3n s ILE 204 Ca 0.00 1.36 -0.29 0.00 0.00 0.00 0.00 60.65 61.72 1i3n s ILE 204 Cb 0.00 -3.92 -0.11 0.00 0.01 0.00 0.00 42.46 38.44 1i3n s ILE 204 CO 0.00 -0.17 1.45 -2.16 0.00 0.00 0.00 174.94 174.06 1i3n s PRO 205 N 3.71 4.21 0.13 2.79 0.04 -1.26 -4.91 135.00 139.70 1i3n s PRO 205 Ca 0.58 2.42 0.20 0.00 0.04 0.00 0.00 61.00 64.24 1i3n s PRO 205 Cb -0.23 -3.03 -0.08 0.00 0.04 0.00 0.00 34.50 31.20 1i3n s PRO 205 CO 0.18 -0.43 0.92 0.09 0.04 0.00 0.00 177.00 177.80 1i3n n ASN 206 N 1.23 0.83 -4.91 6.66 4.13 -1.26 -4.82 115.26 117.12 1i3n n ASN 206 Ca 0.03 0.35 -0.28 0.00 1.68 0.00 0.00 54.58 56.35 1i3n n ASN 206 Cb 0.40 0.34 -0.03 0.00 -1.54 0.00 0.00 39.78 38.95 1i3n n ASN 206 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1i3n s ASN 207 N -5.55 6.43 0.05 6.41 4.22 -1.26 -5.04 114.94 120.19 1i3n s ASN 207 Ca -0.02 0.69 -0.31 0.00 -2.14 0.00 0.00 52.86 51.08 1i3n s ASN 207 Cb 0.09 -2.13 -0.17 0.00 1.28 0.00 0.00 41.25 40.32 1i3n s ASN 207 CO 0.80 -0.21 1.47 0.25 -2.04 0.00 0.00 177.10 177.38 1i3n h LEU 208 N 1.58 -0.98 -0.52 3.54 5.85 -2.01 -3.26 115.31 119.51 1i3n h LEU 208 Ca -0.48 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.36 1i3n h LEU 208 Cb 1.19 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 42.42 1i3n h LEU 208 CO 0.66 -0.68 0.14 0.24 -0.34 0.00 0.00 178.44 178.47 1i3n h MET 209 N -1.11 0.29 -0.36 1.25 2.86 -1.96 -0.37 114.93 115.53 1i3n h MET 209 Ca -0.11 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1i3n h MET 209 Cb 0.86 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1i3n h MET 209 CO 0.17 0.19 0.09 -1.35 1.06 0.00 0.00 176.91 177.07 1i3n h PRO 210 N 0.30 0.52 -0.27 -0.22 0.11 -1.99 0.52 132.00 130.97 1i3n h PRO 210 Ca 0.26 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 66.24 1i3n h PRO 210 Cb 0.32 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1i3n h PRO 210 CO -0.30 0.47 -0.03 -0.92 -0.21 0.00 0.00 178.00 177.01 1i3n h TYR 211 N 0.51 0.56 -0.26 0.65 5.03 -1.32 -0.74 116.97 121.41 1i3n h TYR 211 Ca 0.12 -0.11 0.03 0.00 2.58 0.00 0.00 58.73 61.35 1i3n h TYR 211 Cb 0.19 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.30 1i3n h TYR 211 CO 0.01 0.68 0.09 0.28 -1.32 0.00 0.00 178.16 177.90 1i3n h VAL 212 N 0.28 0.94 -0.15 1.81 2.07 -0.38 -1.11 116.25 119.70 1i3n h VAL 212 Ca 0.07 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1i3n h VAL 212 Cb 0.48 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1i3n h VAL 212 CO 0.02 0.04 -0.12 0.77 0.02 0.00 0.00 177.57 178.29 1i3n h SER 213 N 0.21 0.22 0.26 0.57 4.64 -0.80 -0.89 113.55 117.76 1i3n h SER 213 Ca 0.11 -0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 1i3n h SER 213 Cb 0.07 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1i3n h SER 213 CO -0.11 0.38 -0.42 1.56 -0.87 0.00 0.00 176.83 177.37 1i3n h GLN 214 N 0.23 0.21 -0.04 4.77 4.20 -0.29 0.62 115.11 124.80 1i3n h GLN 214 Ca 0.05 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1i3n h GLN 214 Cb 0.37 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1i3n h GLN 214 CO 0.02 0.60 -0.05 0.28 -0.67 0.00 0.00 178.83 179.01 1i3n h VAL 215 N 0.18 1.40 -0.92 -0.54 2.07 -0.59 0.83 116.25 118.68 1i3n h VAL 215 Ca 0.02 -1.26 0.06 0.00 0.82 0.00 0.00 66.70 66.34 1i3n h VAL 215 Cb 0.81 2.16 -0.06 0.00 -1.52 0.00 0.00 31.29 32.68 1i3n h VAL 215 CO 0.06 0.34 0.58 0.00 0.02 0.00 0.00 177.57 178.58 1i3n h ALA 216 N 0.51 1.26 0.00 1.67 0.00 -0.95 -0.31 119.26 121.45 1i3n h ALA 216 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i3n h ALA 216 Cb 0.57 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1i3n h ALA 216 CO 0.01 0.36 0.00 0.97 0.00 0.00 0.00 179.25 180.59 1i3n h ILE 217 N 1.07 0.00 0.00 0.00 6.09 -0.87 -3.47 117.51 120.33 1i3n h ILE 217 Ca 0.40 -0.46 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 1i3n h ILE 217 Cb 0.15 1.42 0.00 0.00 0.47 0.00 0.00 36.82 38.86 1i3n h ILE 217 CO -0.17 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.52 1i3n n GLY 218 N 0.03 0.99 0.12 8.18 0.00 -0.12 -4.98 105.19 109.40 1i3n n GLY 218 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1i3n n GLY 218 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1i3n h ARG 219 N 3.93 0.00 -5.60 1.61 2.43 -1.04 -3.45 114.38 112.25 1i3n h ARG 219 Ca 0.00 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.67 1i3n h ARG 219 Cb 0.00 0.00 -0.25 0.00 -0.42 0.00 0.00 29.97 29.30 1i3n h ARG 219 CO 0.00 0.56 -0.81 1.03 -1.51 0.00 0.00 179.97 179.23 1i3n s ARG 220 N -2.91 1.12 -0.04 0.20 0.52 -1.05 -4.97 118.95 111.82 1i3n s ARG 220 Ca 0.03 -0.80 -0.25 0.00 -0.52 0.00 0.00 55.73 54.19 1i3n s ARG 220 Cb 0.08 -1.16 -0.22 0.00 0.52 0.00 0.00 34.95 34.17 1i3n s ARG 220 CO 0.77 0.29 1.11 1.05 0.02 0.00 0.00 175.30 178.54 1i3n h GLU 221 N 4.99 0.14 -3.41 3.54 4.11 -1.90 -3.39 114.58 118.65 1i3n h GLU 221 Ca -0.39 -0.12 -0.12 0.00 0.07 0.00 0.00 59.36 58.80 1i3n h GLU 221 Cb 1.17 0.03 -0.19 0.00 0.50 0.00 0.00 28.75 30.26 1i3n h GLU 221 CO 0.44 0.79 -0.39 0.00 0.07 0.00 0.00 179.01 179.92 1i3n s ALA 222 N -3.50 -0.46 0.18 1.06 0.00 -1.26 -4.55 121.76 113.24 1i3n s ALA 222 Ca -0.16 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 1i3n s ALA 222 Cb 0.01 0.18 -0.08 0.00 0.00 0.00 0.00 23.12 23.24 1i3n s ALA 222 CO 0.72 -0.29 0.91 -1.17 0.00 0.00 0.00 175.76 175.93 1i3n s LEU 223 N -1.69 4.59 -0.35 0.00 2.96 -0.01 -4.85 118.68 119.33 1i3n s LEU 223 Ca -0.10 1.84 -0.17 0.00 -0.22 0.00 0.00 54.13 55.48 1i3n s LEU 223 Cb -0.04 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 1i3n s LEU 223 CO -0.00 0.10 0.45 0.20 -1.32 0.00 0.00 176.35 175.77 1i3n s ASN 224 N -0.79 6.25 -0.26 3.68 0.02 -1.26 0.46 114.94 123.04 1i3n s ASN 224 Ca 0.42 -0.14 -0.20 0.00 -1.02 0.00 0.00 52.86 51.91 1i3n s ASN 224 Cb -0.25 -2.24 -0.02 0.00 0.02 0.00 0.00 41.25 38.77 1i3n s ASN 224 CO 0.30 -0.43 0.63 -0.69 0.02 0.00 0.00 177.10 176.94 1i3n s VAL 225 N 2.22 4.98 -1.33 1.60 1.01 0.26 -4.90 120.40 124.24 1i3n s VAL 225 Ca 0.15 1.10 -0.17 0.00 0.00 0.00 0.00 61.98 63.07 1i3n s VAL 225 Cb -0.16 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.30 1i3n s VAL 225 CO 0.13 0.00 2.01 0.49 0.00 0.00 0.00 175.10 177.73 1i3n n PHE 226 N 5.74 3.77 0.00 5.22 0.99 -1.26 0.26 117.46 132.18 1i3n n PHE 226 Ca -0.01 -2.74 0.00 0.00 -0.00 0.00 0.00 57.45 54.70 1i3n n PHE 226 Cb 0.49 -2.52 0.00 0.00 -1.00 0.00 0.00 39.48 36.45 1i3n n PHE 226 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1i3n n GLY 227 N 4.72 -0.42 0.63 1.37 0.00 -0.33 -4.26 105.19 106.89 1i3n n GLY 227 Ca 0.50 -1.39 0.01 0.00 0.00 0.00 0.00 46.02 45.14 1i3n n GLY 227 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1i3n n ASN 228 N -0.54 0.29 -0.84 1.61 6.94 -1.25 -4.50 115.26 116.98 1i3n n ASN 228 Ca 0.00 -2.08 0.06 0.00 -0.02 0.00 0.00 54.58 52.54 1i3n n ASN 228 Cb 0.00 -0.23 0.23 0.00 -2.36 0.00 0.00 39.78 37.42 1i3n n ASN 228 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1i3n n ASP 229 N -0.02 3.40 -4.86 0.53 3.85 -0.99 -4.22 116.55 114.24 1i3n n ASP 229 Ca 0.02 -3.18 -0.30 0.00 -0.71 0.00 0.00 54.79 50.61 1i3n n ASP 229 Cb 0.76 -0.55 0.05 0.00 -1.35 0.00 0.00 41.12 40.03 1i3n n ASP 229 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1i3n s TYR 230 N -2.92 3.26 -1.43 2.11 2.02 0.48 -4.92 117.35 115.94 1i3n s TYR 230 Ca 0.41 1.16 -0.12 0.00 -0.37 0.00 0.00 57.07 58.15 1i3n s TYR 230 Cb 0.35 -2.99 0.05 0.00 -0.40 0.00 0.00 41.96 38.97 1i3n s TYR 230 CO 0.06 -1.21 2.28 -3.47 -1.57 0.00 0.00 175.55 171.65 1i3n n ASP 231 N -3.06 5.32 -4.30 2.29 2.03 -1.26 -4.13 116.55 113.44 1i3n n ASP 231 Ca 0.07 -2.88 -0.16 0.00 0.52 0.00 0.00 54.79 52.34 1i3n n ASP 231 Cb 0.56 -1.58 -0.10 0.00 -0.72 0.00 0.00 41.12 39.28 1i3n n ASP 231 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1i3n s THR 232 N 2.00 0.65 0.20 5.18 -4.23 -1.26 -4.94 115.64 113.24 1i3n s THR 232 Ca 0.50 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.85 1i3n s THR 232 Cb 0.14 -2.49 0.20 0.00 1.34 0.00 0.00 72.50 71.69 1i3n s THR 232 CO -0.06 -0.15 1.62 -0.08 -0.54 0.00 0.00 174.62 175.41 1i3n h GLU 233 N 2.46 -0.04 -0.14 3.99 4.57 -1.88 -2.58 114.58 120.95 1i3n h GLU 233 Ca -0.38 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1i3n h GLU 233 Cb 1.23 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1i3n h GLU 233 CO 0.62 -0.03 0.00 -0.40 -1.18 0.00 0.00 179.01 178.02 1i3n n ASP 234 N -5.42 2.72 0.00 1.04 5.68 -1.26 -4.96 116.55 114.35 1i3n n ASP 234 Ca 0.06 -1.81 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 1i3n n ASP 234 Cb 0.32 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 1i3n n ASP 234 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i3n n GLY 235 N 1.04 2.19 3.94 6.12 0.00 -0.97 -4.88 105.19 112.63 1i3n n GLY 235 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1i3n n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i3n s THR 236 N -2.31 5.13 0.45 2.61 -4.23 -1.26 -0.38 115.64 115.65 1i3n s THR 236 Ca 0.00 -0.50 -0.25 0.00 -1.18 0.00 0.00 61.69 59.76 1i3n s THR 236 Cb 0.00 -3.84 -0.08 0.00 1.34 0.00 0.00 72.50 69.92 1i3n s THR 236 CO 0.00 -0.47 1.43 -0.83 -0.54 0.00 0.00 174.62 174.21 1i3n s GLY 237 N -3.87 2.92 -0.12 3.99 0.00 -1.26 -4.64 107.32 104.34 1i3n s GLY 237 Ca 0.39 1.46 -0.00 0.00 0.00 0.00 0.00 44.72 46.57 1i3n s GLY 237 CO 0.34 2.07 -0.11 0.14 0.00 0.00 0.00 173.10 175.54 1i3n s VAL 238 N -1.20 3.23 0.05 1.40 1.01 -0.42 -1.66 120.40 122.80 1i3n s VAL 238 Ca 0.61 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 1i3n s VAL 238 Cb -0.44 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1i3n s VAL 238 CO 0.56 0.53 0.04 -0.13 0.00 0.00 0.00 175.10 176.11 1i3n s ARG 239 N 0.11 0.59 -0.74 2.72 1.81 -0.73 -1.20 118.95 121.51 1i3n s ARG 239 Ca -0.05 -0.92 -0.19 0.00 -1.72 0.00 0.00 55.73 52.84 1i3n s ARG 239 Cb -0.15 0.22 0.12 0.00 -0.45 0.00 0.00 34.95 34.69 1i3n s ARG 239 CO 0.04 -0.13 0.90 0.34 -0.68 0.00 0.00 175.30 175.77 1i3n s ASP 240 N -2.40 6.38 -0.04 0.23 3.68 -0.90 -0.93 116.67 122.69 1i3n s ASP 240 Ca -0.01 -1.65 -0.27 0.00 2.13 0.00 0.00 52.55 52.74 1i3n s ASP 240 Cb 0.02 -2.35 -0.03 0.00 -1.45 0.00 0.00 42.92 39.11 1i3n s ASP 240 CO -0.07 -1.12 0.87 -0.31 0.13 0.00 0.00 175.17 174.67 1i3n s TYR 241 N 2.74 3.61 -0.05 -5.34 2.02 -1.26 -1.67 117.35 117.40 1i3n s TYR 241 Ca 0.21 1.50 0.03 0.00 -0.37 0.00 0.00 57.07 58.44 1i3n s TYR 241 Cb -0.15 -3.00 0.00 0.00 -0.40 0.00 0.00 41.96 38.42 1i3n s TYR 241 CO 0.01 0.01 -0.14 -1.50 -1.57 0.00 0.00 175.55 172.35 1i3n s ILE 242 N 1.02 1.24 0.11 2.71 2.07 -0.23 -4.62 121.20 123.49 1i3n s ILE 242 Ca 0.46 -0.58 -0.31 0.00 -1.41 0.00 0.00 60.65 58.80 1i3n s ILE 242 Cb -0.19 -1.10 -0.11 0.00 0.13 0.00 0.00 42.46 41.19 1i3n s ILE 242 CO 0.23 0.37 1.84 1.57 -1.91 0.00 0.00 174.94 177.04 1i3n n HIS 243 N 3.43 2.59 -0.10 3.50 -0.00 -1.26 -0.56 115.22 122.82 1i3n n HIS 243 Ca -0.20 -0.13 0.23 0.00 -0.00 0.00 0.00 57.72 57.62 1i3n n HIS 243 Cb 0.53 -2.72 0.67 0.00 -0.00 0.00 0.00 29.99 28.46 1i3n n HIS 243 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1i3n h VAL 244 N 4.70 0.67 -0.44 3.57 3.04 -0.33 0.36 116.25 127.82 1i3n h VAL 244 Ca -0.47 -0.03 -0.14 0.00 -1.01 0.00 0.00 66.70 65.06 1i3n h VAL 244 Cb 1.23 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 1i3n h VAL 244 CO 0.94 0.01 -0.28 0.58 -1.01 0.00 0.00 177.57 177.82 1i3n h VAL 245 N 0.08 1.27 -0.47 1.51 2.07 -1.88 0.95 116.25 119.78 1i3n h VAL 245 Ca 0.35 -1.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 1i3n h VAL 245 Cb 1.27 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1i3n h VAL 245 CO -0.03 0.49 0.09 0.44 0.02 0.00 0.00 177.57 178.59 1i3n h ASP 246 N 0.80 0.72 -0.40 0.57 3.32 -1.37 -1.15 116.42 118.91 1i3n h ASP 246 Ca 0.09 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.91 1i3n h ASP 246 Cb 0.86 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 1i3n h ASP 246 CO 0.08 0.78 0.24 0.25 -1.72 0.00 0.00 179.24 178.87 1i3n h LEU 247 N 0.63 0.40 -0.59 1.55 5.85 -0.98 -0.85 115.31 121.32 1i3n h LEU 247 Ca 0.14 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1i3n h LEU 247 Cb 0.36 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1i3n h LEU 247 CO 0.01 0.28 0.34 0.00 -0.34 0.00 0.00 178.44 178.73 1i3n h ALA 248 N 1.18 0.77 0.00 1.25 0.00 -0.61 -1.47 119.26 120.38 1i3n h ALA 248 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1i3n h ALA 248 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1i3n h ALA 248 CO -0.07 0.03 -0.17 0.87 0.00 0.00 0.00 179.25 179.91 1i3n h LYS 249 N 0.65 0.00 0.00 0.00 1.57 -0.68 -1.33 116.57 116.78 1i3n h LYS 249 Ca 0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1i3n h LYS 249 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1i3n h LYS 249 CO -0.14 0.17 -0.03 0.78 -0.57 0.00 0.00 179.45 179.66 1i3n h GLY 250 N 0.59 0.00 1.75 3.86 0.00 -0.06 -1.27 103.07 107.93 1i3n h GLY 250 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1i3n h GLY 250 CO 0.02 0.00 -0.73 0.45 0.00 0.00 0.00 176.54 176.28 1i3n h HIS 251 N 0.00 0.33 -0.35 5.60 3.86 -1.17 -1.32 115.15 122.11 1i3n h HIS 251 Ca -0.00 -0.15 -0.14 0.00 -1.16 0.00 0.00 60.37 58.92 1i3n h HIS 251 Cb 0.12 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1i3n h HIS 251 CO 0.00 0.89 -0.35 0.82 0.86 0.00 0.00 177.93 180.15 1i3n h ILE 252 N 0.16 1.28 -0.68 2.45 5.03 -1.28 -1.37 117.51 123.11 1i3n h ILE 252 Ca -0.03 -1.51 -0.07 0.00 -0.12 0.00 0.00 64.86 63.14 1i3n h ILE 252 Cb 1.30 1.38 -0.03 0.00 -3.03 0.00 0.00 36.82 36.44 1i3n h ILE 252 CO 0.11 0.50 0.14 0.00 -0.68 0.00 0.00 178.15 178.22 1i3n h ALA 253 N 0.95 0.97 -0.76 1.87 0.00 -1.35 -2.24 119.26 118.71 1i3n h ALA 253 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1i3n h ALA 253 Cb 0.89 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1i3n h ALA 253 CO 0.08 0.66 0.48 0.00 0.00 0.00 0.00 179.25 180.46 1i3n h ALA 254 N 1.12 0.96 -0.88 0.00 0.00 -0.65 -0.68 119.26 119.13 1i3n h ALA 254 Ca 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1i3n h ALA 254 Cb 0.39 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1i3n h ALA 254 CO 0.01 0.40 0.46 -0.07 0.00 0.00 0.00 179.25 180.05 1i3n h LEU 255 N 1.03 1.11 -0.90 0.00 3.38 -0.80 -1.59 115.31 117.55 1i3n h LEU 255 Ca 0.27 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1i3n h LEU 255 Cb -0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.36 1i3n h LEU 255 CO -0.06 0.91 0.10 0.03 0.09 0.00 0.00 178.44 179.51 1i3n h ARG 256 N 1.24 0.91 -0.82 1.13 3.08 -0.85 -2.44 114.38 116.63 1i3n h ARG 256 Ca 0.31 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1i3n h ARG 256 Cb 0.06 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 1i3n h ARG 256 CO -0.05 0.84 0.38 -0.22 -1.07 0.00 0.00 179.97 179.86 1i3n h LYS 257 N 0.87 1.19 -1.00 0.04 1.63 -0.38 -2.62 116.57 116.30 1i3n h LYS 257 Ca 0.18 -0.18 0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1i3n h LYS 257 Cb 0.37 -0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 31.74 1i3n h LYS 257 CO 0.01 0.92 0.66 -0.07 -3.45 0.00 0.00 179.45 177.51 1i3n h LEU 258 N 1.17 1.14 -2.22 5.20 3.38 -0.85 -1.50 115.31 121.63 1i3n h LEU 258 Ca 0.28 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1i3n h LEU 258 Cb 0.13 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1i3n h LEU 258 CO -0.03 0.82 0.00 0.11 0.09 0.00 0.00 178.44 179.42 1i3n h LYS 259 N 1.34 0.00 -0.11 1.13 1.79 -1.13 0.72 116.57 120.30 1i3n h LYS 259 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1i3n h LYS 259 Cb -0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 1i3n h LYS 259 CO -0.09 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.67 1i3n n GLU 260 N -2.76 1.48 -3.53 3.15 1.02 -0.56 -4.90 120.64 114.54 1i3n n GLU 260 Ca -0.02 -0.73 -0.19 0.00 -0.02 0.00 0.00 57.16 56.20 1i3n n GLU 260 Cb 0.09 -1.35 0.06 0.00 -0.02 0.00 0.00 31.44 30.22 1i3n n GLU 260 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1i3n n GLN 261 N -0.05 -4.82 0.00 3.49 1.13 0.25 -4.88 117.38 112.50 1i3n n GLN 261 Ca 0.15 0.73 0.11 0.00 -1.94 0.00 0.00 57.00 56.06 1i3n n GLN 261 Cb 0.24 -5.46 0.53 0.00 0.11 0.00 0.00 30.24 25.66 1i3n n GLN 261 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i3n n GLY 263 N 0.79 0.31 3.67 0.00 0.00 -1.26 -4.58 105.19 104.12 1i3n n GLY 263 Ca 0.08 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 1i3n n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3n s ARG 265 N 1.73 0.84 -0.08 0.00 1.81 -0.00 -4.96 118.95 118.30 1i3n s ARG 265 Ca 0.28 -0.65 0.02 0.00 -1.72 0.00 0.00 55.73 53.66 1i3n s ARG 265 Cb -0.16 -0.81 0.02 0.00 -0.45 0.00 0.00 34.95 33.55 1i3n s ARG 265 CO 0.11 0.20 -0.11 0.42 -0.68 0.00 0.00 175.30 175.24 1i3n s ILE 266 N -0.75 1.12 0.00 1.52 1.01 -1.26 -0.84 121.20 122.00 1i3n s ILE 266 Ca 0.01 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.23 1i3n s ILE 266 Cb -0.07 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 1i3n s ILE 266 CO 0.01 0.36 -0.05 -0.31 0.00 0.00 0.00 174.94 174.94 1i3n s TYR 267 N 0.91 0.47 0.33 3.97 1.51 -0.32 -4.97 117.35 119.24 1i3n s TYR 267 Ca -0.10 -0.14 -0.26 0.00 -1.01 0.00 0.00 57.07 55.56 1i3n s TYR 267 Cb -0.15 -0.30 -0.10 0.00 -0.11 0.00 0.00 41.96 41.31 1i3n s TYR 267 CO 0.01 -0.02 0.96 -0.80 -1.11 0.00 0.00 175.55 174.59 1i3n s ASN 268 N -0.30 7.28 -0.40 2.29 0.01 -1.26 -0.60 114.94 121.96 1i3n s ASN 268 Ca 0.00 1.89 0.03 0.00 -0.71 0.00 0.00 52.86 54.07 1i3n s ASN 268 Cb -0.03 -2.58 0.11 0.00 0.41 0.00 0.00 41.25 39.16 1i3n s ASN 268 CO -0.00 -0.11 0.13 -0.76 -1.51 0.00 0.00 177.10 174.85 1i3n s LEU 269 N -2.06 4.27 0.35 0.60 1.43 -0.07 -4.67 118.68 118.54 1i3n s LEU 269 Ca 0.50 -2.41 -0.09 0.00 -1.03 0.00 0.00 54.13 51.11 1i3n s LEU 269 Cb -0.20 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1i3n s LEU 269 CO 0.25 -0.33 0.60 -0.83 0.23 0.00 0.00 176.35 176.28 1i3n s GLY 270 N 0.56 0.94 0.01 -3.19 0.00 -1.26 -1.83 107.32 102.55 1i3n s GLY 270 Ca 0.13 -1.14 0.21 0.00 0.00 0.00 0.00 44.72 43.92 1i3n s GLY 270 CO -0.06 -0.68 0.60 -1.30 0.00 0.00 0.00 173.10 171.66 1i3n n THR 271 N -0.53 0.53 -0.38 0.90 -2.24 -1.26 -4.60 114.28 106.69 1i3n n THR 271 Ca -0.03 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1i3n n THR 271 Cb 0.61 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1i3n n THR 271 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i3n n GLY 272 N 1.33 0.80 3.28 3.38 0.00 -1.26 -4.85 105.19 107.88 1i3n n GLY 272 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1i3n n GLY 272 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i3n s THR 273 N -2.82 2.75 -0.11 2.61 2.01 -1.26 -4.75 115.64 114.06 1i3n s THR 273 Ca 0.00 -0.75 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 1i3n s THR 273 Cb 0.00 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1i3n s THR 273 CO 0.00 0.51 0.21 -0.83 -0.69 0.00 0.00 174.62 173.82 1i3n s GLY 274 N 0.77 2.21 -0.01 4.40 0.00 -1.26 -4.12 107.32 109.30 1i3n s GLY 274 Ca -0.06 -0.55 0.05 0.00 0.00 0.00 0.00 44.72 44.17 1i3n s GLY 274 CO 0.01 -0.11 -0.16 -0.19 0.00 0.00 0.00 173.10 172.65 1i3n s TYR 275 N -0.66 1.42 0.78 1.90 2.02 -0.11 -4.86 117.35 117.84 1i3n s TYR 275 Ca 0.16 -0.27 -0.10 0.00 -0.37 0.00 0.00 57.07 56.49 1i3n s TYR 275 Cb -0.13 -0.91 0.09 0.00 -0.40 0.00 0.00 41.96 40.61 1i3n s TYR 275 CO 0.05 -0.02 1.12 -1.54 -1.57 0.00 0.00 175.55 173.59 1i3n s SER 276 N -0.42 4.41 0.12 2.29 1.04 -1.26 -1.77 113.70 118.11 1i3n s SER 276 Ca 0.06 0.49 -0.22 0.00 0.48 0.00 0.00 55.95 56.76 1i3n s SER 276 Cb -0.06 -0.97 -0.06 0.00 0.10 0.00 0.00 66.02 65.02 1i3n s SER 276 CO -0.00 -1.90 1.71 0.58 0.98 0.00 0.00 173.24 174.60 1i3n h VAL 277 N -0.91 0.81 -0.46 5.02 2.07 -1.58 -0.51 116.25 120.69 1i3n h VAL 277 Ca -0.44 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1i3n h VAL 277 Cb 1.31 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1i3n h VAL 277 CO 0.58 0.00 0.21 -0.07 0.02 0.00 0.00 177.57 178.30 1i3n h LEU 278 N -0.06 0.58 -0.67 2.57 3.38 -1.93 -0.73 115.31 118.45 1i3n h LEU 278 Ca 0.06 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1i3n h LEU 278 Cb 0.15 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1i3n h LEU 278 CO -0.15 0.51 -0.03 1.56 0.09 0.00 0.00 178.44 180.43 1i3n h GLN 279 N 0.65 1.01 -0.56 1.13 4.20 -1.74 -1.31 115.11 118.48 1i3n h GLN 279 Ca 0.16 -0.32 -0.09 0.00 0.06 0.00 0.00 58.65 58.46 1i3n h GLN 279 Cb 0.09 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1i3n h GLN 279 CO -0.02 1.00 -0.01 0.52 -0.67 0.00 0.00 178.83 179.65 1i3n h MET 280 N 0.92 1.00 -0.38 1.46 2.86 -0.09 -1.13 114.93 119.56 1i3n h MET 280 Ca 0.16 -0.32 0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1i3n h MET 280 Cb 0.57 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 1i3n h MET 280 CO 0.03 1.00 0.16 0.28 1.06 0.00 0.00 176.91 179.44 1i3n h VAL 281 N 0.88 0.93 -0.63 -2.22 2.07 -0.94 -0.68 116.25 115.66 1i3n h VAL 281 Ca 0.16 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1i3n h VAL 281 Cb 0.55 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1i3n h VAL 281 CO 0.03 0.06 0.37 -0.61 0.02 0.00 0.00 177.57 177.44 1i3n h GLN 282 N 0.34 0.87 -0.16 1.57 4.15 -1.09 -0.06 115.11 120.72 1i3n h GLN 282 Ca 0.17 -0.09 -0.05 0.00 0.77 0.00 0.00 58.65 59.45 1i3n h GLN 282 Cb 0.12 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1i3n h GLN 282 CO -0.15 0.64 -0.13 0.00 -1.93 0.00 0.00 178.83 177.26 1i3n h ALA 283 N 1.18 1.49 -0.02 3.38 0.00 -0.73 -0.94 119.26 123.62 1i3n h ALA 283 Ca 0.22 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1i3n h ALA 283 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1i3n h ALA 283 CO -0.04 0.36 -0.76 0.52 0.00 0.00 0.00 179.25 179.33 1i3n h MET 284 N 0.24 0.19 -0.31 0.00 2.86 -0.33 -0.68 114.93 116.91 1i3n h MET 284 Ca 0.05 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1i3n h MET 284 Cb 0.38 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1i3n h MET 284 CO 0.02 0.86 0.06 0.93 1.06 0.00 0.00 176.91 179.84 1i3n h GLU 285 N 0.12 0.50 -0.66 1.72 5.08 -0.54 0.61 114.58 121.42 1i3n h GLU 285 Ca -0.03 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1i3n h GLU 285 Cb 1.33 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1i3n h GLU 285 CO 0.11 0.59 0.39 -0.22 -1.00 0.00 0.00 179.01 178.89 1i3n h LYS 286 N 0.33 0.90 -0.32 2.33 3.64 -1.07 0.18 116.57 122.56 1i3n h LYS 286 Ca 0.09 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.25 1i3n h LYS 286 Cb 0.33 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1i3n h LYS 286 CO 0.00 0.65 -0.36 0.00 -2.27 0.00 0.00 179.45 177.48 1i3n h ALA 287 N 1.20 0.47 0.00 5.00 0.00 -0.85 -3.29 119.26 121.79 1i3n h ALA 287 Ca 0.24 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1i3n h ALA 287 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1i3n h ALA 287 CO -0.04 0.54 -0.62 0.66 0.00 0.00 0.00 179.25 179.80 1i3n h SER 288 N 0.57 0.00 -0.33 0.00 4.64 -0.82 -3.47 113.55 114.14 1i3n h SER 288 Ca 0.05 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.23 1i3n h SER 288 Cb 0.94 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.98 1i3n h SER 288 CO 0.09 0.50 -0.12 0.61 -0.87 0.00 0.00 176.83 177.03 1i3n n GLY 289 N 1.24 0.87 3.27 -0.77 0.00 0.63 -5.01 105.19 105.42 1i3n n GLY 289 Ca 0.01 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 1i3n n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i3n s LYS 290 N -2.61 1.20 0.14 1.61 -0.14 -1.19 -5.06 119.74 113.70 1i3n s LYS 290 Ca 0.00 -1.06 -0.30 0.00 -1.36 0.00 0.00 55.97 53.25 1i3n s LYS 290 Cb 0.00 -1.40 -0.07 0.00 -1.68 0.00 0.00 37.83 34.68 1i3n s LYS 290 CO 0.00 0.34 1.04 0.21 -0.76 0.00 0.00 175.35 176.18 1i3n s LYS 291 N -1.61 4.64 -0.51 1.68 2.47 -1.26 -4.32 119.74 120.82 1i3n s LYS 291 Ca 0.06 1.59 -0.02 0.00 -1.56 0.00 0.00 55.97 56.04 1i3n s LYS 291 Cb -0.09 -3.33 0.13 0.00 -1.46 0.00 0.00 37.83 33.08 1i3n s LYS 291 CO 0.03 0.12 0.30 0.42 0.16 0.00 0.00 175.35 176.39 1i3n s ILE 292 N -0.04 3.37 0.87 5.43 1.01 -1.26 -4.86 121.20 125.71 1i3n s ILE 292 Ca 0.49 -2.56 -0.11 0.00 0.00 0.00 0.00 60.65 58.47 1i3n s ILE 292 Cb -0.26 -3.27 0.12 0.00 0.01 0.00 0.00 42.46 39.05 1i3n s ILE 292 CO 0.32 -0.78 1.11 -2.84 0.00 0.00 0.00 174.94 172.75 1i3n s PRO 293 N 0.49 1.44 0.08 2.79 0.02 -1.26 -4.87 135.00 133.70 1i3n s PRO 293 Ca 0.13 1.21 -0.26 0.00 0.02 0.00 0.00 61.00 62.11 1i3n s PRO 293 Cb -0.22 -1.80 0.08 0.00 0.02 0.00 0.00 34.50 32.59 1i3n s PRO 293 CO -0.04 -2.23 0.74 1.52 -0.33 0.00 0.00 177.00 176.66 1i3n s TYR 294 N -2.79 -0.44 -0.01 6.54 1.13 -1.26 -0.83 117.35 119.68 1i3n s TYR 294 Ca 0.64 0.27 0.01 0.00 -1.41 0.00 0.00 57.07 56.58 1i3n s TYR 294 Cb -0.20 0.55 0.00 0.00 -1.10 0.00 0.00 41.96 41.22 1i3n s TYR 294 CO 0.57 -0.71 -0.05 -1.59 -2.51 0.00 0.00 175.55 171.27 1i3n s LYS 295 N -3.45 0.51 -0.08 -3.49 -2.85 0.17 -4.85 119.74 105.71 1i3n s LYS 295 Ca 0.03 -0.16 -0.26 0.00 -1.00 0.00 0.00 55.97 54.58 1i3n s LYS 295 Cb -0.01 -0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 35.21 1i3n s LYS 295 CO -0.11 0.06 0.83 0.08 0.10 0.00 0.00 175.35 176.31 1i3n s VAL 296 N 0.19 4.94 0.15 1.79 1.01 -1.26 0.92 120.40 128.13 1i3n s VAL 296 Ca -0.02 1.70 0.01 0.00 0.00 0.00 0.00 61.98 63.66 1i3n s VAL 296 Cb -0.06 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 1i3n s VAL 296 CO -0.00 0.15 0.02 1.33 0.00 0.00 0.00 175.10 176.59 1i3n n VAL 297 N 4.13 0.00 -1.49 2.92 0.24 0.14 -4.87 118.33 119.40 1i3n n VAL 297 Ca 0.03 -0.78 -0.34 0.00 -2.04 0.00 0.00 64.34 61.21 1i3n n VAL 297 Cb 0.50 0.20 0.09 0.00 -1.47 0.00 0.00 33.84 33.16 1i3n n VAL 297 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i3n s ALA 298 N -2.31 2.17 0.71 2.33 0.00 -1.26 -1.18 121.76 122.22 1i3n s ALA 298 Ca 0.03 0.84 -0.16 0.00 0.00 0.00 0.00 51.96 52.66 1i3n s ALA 298 Cb 0.00 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.70 1i3n s ALA 298 CO 0.02 -1.78 1.26 1.03 0.00 0.00 0.00 175.76 176.29 1i3n s ARG 299 N -3.92 2.16 -0.13 0.00 0.52 -1.26 -3.72 118.95 112.60 1i3n s ARG 299 Ca 0.73 1.94 -0.16 0.00 -0.52 0.00 0.00 55.73 57.72 1i3n s ARG 299 Cb -0.28 -1.81 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 1i3n s ARG 299 CO 0.44 -1.86 0.39 0.50 0.02 0.00 0.00 175.30 174.79 1i3n s ARG 300 N -3.70 4.28 -0.01 3.54 3.52 -1.26 -4.92 118.95 120.40 1i3n s ARG 300 Ca 0.79 0.29 -0.37 0.00 -0.13 0.00 0.00 55.73 56.30 1i3n s ARG 300 Cb -0.34 -3.42 -0.16 0.00 -1.56 0.00 0.00 34.95 29.47 1i3n s ARG 300 CO 0.44 0.22 1.52 -1.91 -0.81 0.00 0.00 175.30 174.77 1i3n n GLU 301 N 3.54 1.38 -0.99 5.12 2.13 -1.26 -2.08 120.64 128.48 1i3n n GLU 301 Ca -0.10 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1i3n n GLU 301 Cb 0.52 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 30.04 1i3n n GLU 301 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i3n n GLY 302 N 3.24 0.64 3.74 8.31 0.00 -1.26 -5.03 105.19 114.84 1i3n n GLY 302 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1i3n n GLY 302 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i3n s ASP 303 N -2.34 6.93 0.37 1.61 1.01 -0.88 -5.03 116.67 118.33 1i3n s ASP 303 Ca 0.00 2.42 -0.03 0.00 0.71 0.00 0.00 52.55 55.64 1i3n s ASP 303 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1i3n s ASP 303 CO 0.00 -0.48 0.63 0.68 0.21 0.00 0.00 175.17 176.21 1i3n s VAL 304 N -0.19 5.01 -0.00 -1.27 -7.23 -1.26 -5.01 120.40 110.45 1i3n s VAL 304 Ca 0.54 -0.05 -0.24 0.00 -1.81 0.00 0.00 61.98 60.42 1i3n s VAL 304 Cb -0.36 -3.81 -0.15 0.00 0.56 0.00 0.00 36.38 32.62 1i3n s VAL 304 CO 0.40 -0.56 1.07 0.00 -0.31 0.00 0.00 175.10 175.70 1i3n h ALA 305 N 0.93 -0.59 -3.24 1.32 0.00 -1.96 -3.44 119.26 112.28 1i3n h ALA 305 Ca -0.48 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.06 1i3n h ALA 305 Cb 1.20 0.23 -0.25 0.00 0.00 0.00 0.00 17.79 18.98 1i3n h ALA 305 CO 0.63 -0.64 -0.58 0.00 0.00 0.00 0.00 179.25 178.66 1i3n s ALA 306 N -4.64 -0.24 -0.13 0.00 0.00 -1.26 -1.30 121.76 114.18 1i3n s ALA 306 Ca -0.13 0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 1i3n s ALA 306 Cb 0.02 -0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.11 1i3n s ALA 306 CO 0.45 -0.10 0.32 0.00 0.00 0.00 0.00 175.76 176.43 1i3n s TYR 308 N 1.20 -0.62 0.50 0.00 -0.85 -1.26 -2.12 117.35 114.19 1i3n s TYR 308 Ca -0.08 0.93 -0.04 0.00 -0.52 0.00 0.00 57.07 57.36 1i3n s TYR 308 Cb -0.09 0.43 -0.01 0.00 0.38 0.00 0.00 41.96 42.67 1i3n s TYR 308 CO -0.09 -0.65 0.78 0.00 -1.52 0.00 0.00 175.55 174.06 1i3n s ALA 309 N -1.73 3.47 -0.42 9.51 0.00 -1.26 -1.10 121.76 130.23 1i3n s ALA 309 Ca -0.09 -0.72 -0.08 0.00 0.00 0.00 0.00 51.96 51.07 1i3n s ALA 309 Cb -0.00 -2.45 0.09 0.00 0.00 0.00 0.00 23.12 20.75 1i3n s ALA 309 CO 0.05 -0.47 0.25 1.21 0.00 0.00 0.00 175.76 176.80 1i3n s ASN 310 N -4.19 5.55 0.00 0.00 3.84 -0.41 -4.01 114.94 115.71 1i3n s ASN 310 Ca 0.49 -1.62 0.19 0.00 0.21 0.00 0.00 52.86 52.13 1i3n s ASN 310 Cb -0.10 -1.95 0.87 0.00 -0.55 0.00 0.00 41.25 39.52 1i3n s ASN 310 CO 0.43 -0.54 1.60 -0.81 -2.79 0.00 0.00 177.10 174.98 1i3n n PRO 311 N 4.85 1.43 -0.26 0.43 -0.04 -1.26 -4.51 135.00 135.64 1i3n n PRO 311 Ca -0.09 -0.65 -0.05 0.00 -0.04 0.00 0.00 63.50 62.67 1i3n n PRO 311 Cb 0.42 -1.35 0.06 0.00 -0.04 0.00 0.00 33.50 32.60 1i3n n PRO 311 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1i3n h SER 312 N 1.30 0.84 -0.35 3.54 4.64 -1.95 -2.48 113.55 119.10 1i3n h SER 312 Ca 0.00 -0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1i3n h SER 312 Cb 0.29 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1i3n h SER 312 CO 0.00 0.63 0.17 0.25 -0.87 0.00 0.00 176.83 177.01 1i3n h LEU 313 N 0.98 0.25 -0.76 5.97 5.85 -1.96 0.99 115.31 126.63 1i3n h LEU 313 Ca 0.26 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 1i3n h LEU 313 Cb -0.08 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1i3n h LEU 313 CO -0.05 0.18 0.40 0.00 -0.34 0.00 0.00 178.44 178.64 1i3n h ALA 314 N 1.19 0.97 -0.62 1.25 0.00 -1.81 0.49 119.26 120.73 1i3n h ALA 314 Ca 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1i3n h ALA 314 Cb 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1i3n h ALA 314 CO -0.11 0.49 0.35 0.37 0.00 0.00 0.00 179.25 180.36 1i3n h GLN 315 N 1.05 0.86 0.30 0.00 4.15 -0.89 0.40 115.11 120.99 1i3n h GLN 315 Ca 0.26 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 1i3n h GLN 315 Cb 0.05 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1i3n h GLN 315 CO -0.04 0.64 -0.15 0.93 -1.93 0.00 0.00 178.83 178.28 1i3n h GLU 316 N 0.84 -0.39 0.14 1.69 5.08 -0.27 -2.87 114.58 118.79 1i3n h GLU 316 Ca 0.22 0.03 -0.34 0.00 -1.00 0.00 0.00 59.36 58.27 1i3n h GLU 316 Cb 0.02 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1i3n h GLU 316 CO -0.04 -0.07 -1.73 0.93 -1.00 0.00 0.00 179.01 177.10 1i3n h GLU 317 N -0.94 0.29 0.00 2.33 5.08 -0.11 -3.37 114.58 117.87 1i3n h GLU 317 Ca -0.04 -0.49 -0.15 0.00 -1.00 0.00 0.00 59.36 57.68 1i3n h GLU 317 Cb 0.51 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1i3n h GLU 317 CO 0.07 1.16 -0.74 1.25 -1.00 0.00 0.00 179.01 179.75 1i3n h LEU 318 N 0.08 0.00 0.13 1.33 5.85 -1.03 -3.47 115.31 118.20 1i3n h LEU 318 Ca -0.33 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.30 1i3n h LEU 318 Cb 2.05 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.09 1i3n h LEU 318 CO 0.15 0.67 -0.14 0.61 -0.34 0.00 0.00 178.44 179.39 1i3n n GLY 319 N 1.28 0.31 3.07 3.75 0.00 -0.70 -4.86 105.19 108.04 1i3n n GLY 319 Ca 0.00 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 1i3n n GLY 319 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1i3n s TRP 320 N -2.54 0.79 -0.01 1.61 -0.00 -1.13 -5.02 118.94 112.64 1i3n s TRP 320 Ca 0.05 -0.39 -0.12 0.00 -0.00 0.00 0.00 56.10 55.64 1i3n s TRP 320 Cb -0.02 -0.47 0.02 0.00 -0.00 0.00 0.00 33.47 32.99 1i3n s TRP 320 CO 0.06 -0.03 0.25 -0.08 -0.00 0.00 0.00 176.95 177.15 1i3n s THR 321 N -1.04 0.06 -0.67 5.86 -1.32 -1.26 -2.99 115.64 114.29 1i3n s THR 321 Ca -0.05 -0.53 -0.27 0.00 -1.21 0.00 0.00 61.69 59.63 1i3n s THR 321 Cb -0.08 -0.55 0.03 0.00 -1.51 0.00 0.00 72.50 70.39 1i3n s THR 321 CO 0.01 -0.29 1.21 0.00 -2.21 0.00 0.00 174.62 173.34 1i3n s ALA 322 N -1.30 2.88 -0.07 11.08 0.00 -1.26 -4.89 121.76 128.20 1i3n s ALA 322 Ca -0.14 -1.21 0.22 0.00 0.00 0.00 0.00 51.96 50.84 1i3n s ALA 322 Cb -0.06 -4.13 0.62 0.00 0.00 0.00 0.00 23.12 19.54 1i3n s ALA 322 CO 0.03 -3.00 1.69 0.00 0.00 0.00 0.00 175.76 174.49 1i3n h ALA 323 N 9.80 0.92 -2.97 0.00 0.00 -1.98 -3.46 119.26 121.57 1i3n h ALA 323 Ca -0.27 -0.21 -0.60 0.00 0.00 0.00 0.00 54.91 53.83 1i3n h ALA 323 Cb 1.05 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 1i3n h ALA 323 CO 1.23 0.28 -0.32 -0.51 0.00 0.00 0.00 179.25 179.94 1i3n s LEU 324 N -6.50 4.30 0.00 0.00 1.43 -1.26 -5.07 118.68 111.57 1i3n s LEU 324 Ca 0.03 0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 53.70 1i3n s LEU 324 Cb 0.08 -2.38 0.14 0.00 0.03 0.00 0.00 46.19 44.06 1i3n s LEU 324 CO 0.66 0.17 0.92 0.61 0.23 0.00 0.00 176.35 178.95 1i3n n GLY 325 N 2.94 0.35 0.19 -3.19 0.00 -1.26 -4.68 105.19 99.54 1i3n n GLY 325 Ca -0.13 -1.98 -0.03 0.00 0.00 0.00 0.00 46.02 43.88 1i3n n GLY 325 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i3n h LEU 326 N 0.00 -0.15 -0.88 0.99 5.85 -1.98 -1.34 115.31 117.80 1i3n h LEU 326 Ca -0.30 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 1i3n h LEU 326 Cb 1.07 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1i3n h LEU 326 CO 0.31 -0.04 0.11 0.44 -0.34 0.00 0.00 178.44 178.92 1i3n h ASP 327 N 0.14 0.89 -0.36 1.25 3.32 -1.95 -1.76 116.42 117.95 1i3n h ASP 327 Ca 0.23 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1i3n h ASP 327 Cb 0.34 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1i3n h ASP 327 CO -0.37 0.88 0.22 0.03 -1.72 0.00 0.00 179.24 178.28 1i3n h ARG 328 N 0.89 0.49 -0.48 3.56 2.47 -1.83 0.36 114.38 119.85 1i3n h ARG 328 Ca 0.19 -0.05 0.03 0.00 -1.26 0.00 0.00 59.98 58.89 1i3n h ARG 328 Cb 0.37 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.55 1i3n h ARG 328 CO 0.01 0.37 0.26 0.52 0.56 0.00 0.00 179.97 181.69 1i3n h MET 329 N 0.47 0.51 -0.31 0.04 2.86 -0.97 0.41 114.93 117.94 1i3n h MET 329 Ca 0.13 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 1i3n h MET 329 Cb 0.01 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1i3n h MET 329 CO -0.02 0.34 -0.18 0.00 1.06 0.00 0.00 176.91 178.10 1i3n h GLU 331 N 0.43 1.01 -0.15 0.00 5.08 -0.06 -0.49 114.58 120.40 1i3n h GLU 331 Ca 0.06 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.03 1i3n h GLU 331 Cb 0.72 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1i3n h GLU 331 CO 0.05 0.90 -0.59 -0.44 -1.00 0.00 0.00 179.01 177.93 1i3n h ASP 332 N 0.96 0.55 -0.34 1.42 3.32 -0.86 -1.19 116.42 120.29 1i3n h ASP 332 Ca 0.20 -0.31 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 1i3n h ASP 332 Cb 0.34 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1i3n h ASP 332 CO 0.00 1.02 -0.01 0.25 -1.72 0.00 0.00 179.24 178.78 1i3n h LEU 333 N 0.37 0.60 -0.70 1.55 5.85 -1.06 -2.62 115.31 119.29 1i3n h LEU 333 Ca -0.00 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 1i3n h LEU 333 Cb 1.13 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1i3n h LEU 333 CO 0.11 0.77 0.24 -0.25 -0.34 0.00 0.00 178.44 178.97 1i3n h TRP 334 N 0.41 1.11 -0.48 1.25 -0.00 -0.91 -1.50 115.95 115.83 1i3n h TRP 334 Ca 0.09 -0.10 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1i3n h TRP 334 Cb 0.47 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 29.28 1i3n h TRP 334 CO 0.04 0.87 0.32 -0.09 -0.00 0.00 0.00 178.44 179.58 1i3n h ARG 335 N 1.02 0.64 -0.34 2.65 2.43 -1.12 0.22 114.38 119.89 1i3n h ARG 335 Ca 0.23 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1i3n h ARG 335 Cb 0.27 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1i3n h ARG 335 CO -0.01 0.43 0.15 2.35 -1.51 0.00 0.00 179.97 181.37 1i3n h TRP 336 N 0.65 0.50 -0.47 2.20 2.91 -1.31 -0.63 115.95 119.80 1i3n h TRP 336 Ca 0.18 -0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.14 1i3n h TRP 336 Cb -0.07 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 28.41 1i3n h TRP 336 CO -0.04 0.45 0.18 0.37 -1.03 0.00 0.00 178.44 178.37 1i3n h GLN 337 N 0.40 0.71 -0.06 2.65 5.75 -0.97 -0.56 115.11 123.03 1i3n h GLN 337 Ca 0.11 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 1i3n h GLN 337 Cb 0.15 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.59 1i3n h GLN 337 CO -0.01 0.65 -0.07 -0.22 -2.65 0.00 0.00 178.83 176.53 1i3n h LYS 338 N 0.61 0.15 0.00 1.69 3.64 -0.48 -2.41 116.57 119.77 1i3n h LYS 338 Ca 0.15 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1i3n h LYS 338 Cb 0.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1i3n h LYS 338 CO -0.01 0.61 -0.06 1.96 -2.27 0.00 0.00 179.45 179.68 1i3n h GLN 339 N -0.31 0.00 -2.08 1.90 4.20 -1.10 -3.32 115.11 114.40 1i3n h GLN 339 Ca 0.01 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.15 1i3n h GLN 339 Cb 0.59 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.98 1i3n h GLN 339 CO 0.02 0.06 -1.01 0.09 -0.67 0.00 0.00 178.83 177.32 1i3n n ASN 340 N -3.31 0.69 -0.09 1.46 3.02 -0.22 -4.96 115.26 111.86 1i3n n ASN 340 Ca -0.01 -2.78 0.26 0.00 -0.03 0.00 0.00 54.58 52.02 1i3n n ASN 340 Cb 0.24 -0.64 0.71 0.00 -0.61 0.00 0.00 39.78 39.48 1i3n n ASN 340 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1i3n h PRO 341 N 4.19 0.00 -0.00 3.52 0.13 -1.54 -0.39 132.00 137.91 1i3n h PRO 341 Ca 0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 1i3n h PRO 341 Cb 0.85 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.92 1i3n h PRO 341 CO 0.51 0.00 -0.58 -1.13 -0.23 0.00 0.00 178.00 176.57 1i3n n SER 342 N -3.92 1.62 0.00 1.44 3.41 -1.26 -5.05 113.62 109.86 1i3n n SER 342 Ca 0.15 -3.63 0.00 0.00 -0.26 0.00 0.00 58.87 55.13 1i3n n SER 342 Cb 0.91 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1i3n n SER 342 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i3n n GLY 343 N -0.88 -0.04 3.78 5.00 0.00 -0.16 -4.79 105.19 108.10 1i3n n GLY 343 Ca 0.17 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 1i3n n GLY 343 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i3n s PHE 344 N 0.00 3.11 0.06 1.61 0.08 -1.26 -4.83 117.98 116.75 1i3n s PHE 344 Ca 0.00 1.60 -0.07 0.00 0.12 0.00 0.00 56.93 58.58 1i3n s PHE 344 Cb 0.00 -3.19 -0.01 0.00 -0.57 0.00 0.00 43.02 39.25 1i3n s PHE 344 CO 0.00 -0.91 0.14 0.20 -0.10 0.00 0.00 175.22 174.54 1i3n s GLY 345 N -1.57 0.16 0.57 4.36 0.00 -1.26 -5.11 107.32 104.47 1i3n s GLY 345 Ca 0.61 -0.64 -0.16 0.00 0.00 0.00 0.00 44.72 44.53 1i3n s GLY 345 CO 0.28 -0.80 1.04 -0.51 0.00 0.00 0.00 173.10 173.12 1i3n s THR 346 N -3.38 3.97 0.44 0.90 -4.23 -1.26 -4.94 115.64 107.15 1i3n s THR 346 Ca 0.01 0.94 -0.24 0.00 -1.18 0.00 0.00 61.69 61.22 1i3n s THR 346 Cb 0.03 -3.46 -0.09 0.00 1.34 0.00 0.00 72.50 70.32 1i3n s THR 346 CO -0.08 -0.54 1.16 0.00 -0.54 0.00 0.00 174.62 174.62 1i3n n GLN 347 N -1.90 1.63 0.00 3.99 6.02 -1.26 -4.99 117.38 120.88 1i3n n GLN 347 Ca 0.08 0.59 0.12 0.00 -0.01 0.00 0.00 57.00 57.78 1i3n n GLN 347 Cb 0.53 -2.26 0.70 0.00 1.02 0.00 0.00 30.24 30.23 1i3n n GLN 347 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05