#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3k n GLU 3 N 0.00 0.00 -1.75 0.00 2.13 -0.98 -4.68 120.64 115.36 1i3k n GLU 3 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 1i3k n GLU 3 Cb 0.00 -0.25 0.07 0.00 0.27 0.00 0.00 31.44 31.54 1i3k n GLU 3 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1i3k s LYS 4 N -2.00 2.34 -0.19 5.31 1.02 -0.93 -4.57 119.74 120.72 1i3k s LYS 4 Ca 0.00 0.45 -0.00 0.00 0.02 0.00 0.00 55.97 56.43 1i3k s LYS 4 Cb 0.00 -1.96 0.01 0.00 -0.52 0.00 0.00 37.83 35.36 1i3k s LYS 4 CO 0.00 -1.40 -0.15 0.08 -0.92 0.00 0.00 175.35 172.96 1i3k s VAL 5 N -3.32 2.51 0.02 3.17 1.01 -0.48 0.06 120.40 123.37 1i3k s VAL 5 Ca 0.60 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 1i3k s VAL 5 Cb -0.12 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1i3k s VAL 5 CO 0.52 0.50 0.84 -0.22 0.00 0.00 0.00 175.10 176.75 1i3k s LEU 6 N 1.28 4.41 -0.29 3.92 2.96 -0.16 -0.95 118.68 129.86 1i3k s LEU 6 Ca 0.04 1.51 0.03 0.00 -0.22 0.00 0.00 54.13 55.49 1i3k s LEU 6 Cb -0.14 -3.35 0.08 0.00 0.50 0.00 0.00 46.19 43.28 1i3k s LEU 6 CO -0.09 -0.10 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.12 1i3k s VAL 7 N 0.40 2.17 0.32 1.68 1.01 0.78 -0.31 120.40 126.45 1i3k s VAL 7 Ca 0.43 -1.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.29 1i3k s VAL 7 Cb -0.21 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.66 1i3k s VAL 7 CO 0.25 -0.28 0.84 0.42 0.00 0.00 0.00 175.10 176.33 1i3k s THR 8 N 1.04 4.44 -1.88 3.92 -4.23 -0.30 -1.97 115.64 116.66 1i3k s THR 8 Ca -0.00 1.43 0.00 0.00 -1.18 0.00 0.00 61.69 61.93 1i3k s THR 8 Cb -0.20 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.85 1i3k s THR 8 CO -0.07 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1i3k n GLY 9 N 0.16 0.44 0.02 3.99 0.00 0.15 -2.08 105.19 107.86 1i3k n GLY 9 Ca 0.02 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.05 1i3k n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3k n GLY 10 N -0.82 -0.80 0.05 -0.02 0.00 -1.14 -2.03 105.19 100.43 1i3k n GLY 10 Ca -0.23 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.92 1i3k n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3k n ALA 11 N -1.54 3.28 -1.06 4.61 0.00 -1.26 -1.74 120.51 122.80 1i3k n ALA 11 Ca 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 53.44 53.11 1i3k n ALA 11 Cb 0.09 -1.18 0.02 0.00 0.00 0.00 0.00 19.45 18.39 1i3k n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3k n GLY 12 N 1.46 -1.68 0.42 0.00 0.00 -0.86 -4.61 105.19 99.92 1i3k n GLY 12 Ca 0.07 -1.59 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 1i3k n GLY 12 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1i3k h TYR 13 N -1.29 -0.98 -0.34 1.61 3.20 -1.89 -0.13 116.97 117.14 1i3k h TYR 13 Ca -0.04 -0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.64 1i3k h TYR 13 Cb 0.12 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 1i3k h TYR 13 CO 0.00 -0.61 -0.41 0.82 -1.64 0.00 0.00 178.16 176.32 1i3k h ILE 14 N -1.07 1.28 -0.26 1.81 2.04 -1.95 -3.07 117.51 116.29 1i3k h ILE 14 Ca -0.11 -1.58 0.03 0.00 1.00 0.00 0.00 64.86 64.19 1i3k h ILE 14 Cb 0.81 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1i3k h ILE 14 CO 0.18 0.52 0.10 1.23 0.00 0.00 0.00 178.15 180.18 1i3k h GLY 15 N 0.67 0.33 1.03 5.37 0.00 -1.78 -0.80 103.07 107.90 1i3k h GLY 15 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1i3k h GLY 15 CO 0.10 0.04 0.47 1.48 0.00 0.00 0.00 176.54 178.63 1i3k h SER 16 N 0.22 1.12 -0.23 0.19 4.64 -0.15 0.31 113.55 119.65 1i3k h SER 16 Ca 0.12 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1i3k h SER 16 Cb 0.08 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 1i3k h SER 16 CO -0.11 0.90 -0.05 0.45 -0.87 0.00 0.00 176.83 177.15 1i3k h HIS 17 N 1.24 0.60 -0.21 4.77 -0.00 -1.39 -1.70 115.15 118.47 1i3k h HIS 17 Ca 0.31 -0.08 -0.19 0.00 -0.00 0.00 0.00 60.37 60.41 1i3k h HIS 17 Cb 0.04 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 1i3k h HIS 17 CO 0.01 0.62 -0.63 1.15 -0.00 0.00 0.00 177.93 179.08 1i3k h THR 18 N 0.54 1.30 -0.68 2.45 2.02 -0.08 -1.76 112.91 116.69 1i3k h THR 18 Ca 0.11 -1.85 0.06 0.00 0.77 0.00 0.00 66.41 65.49 1i3k h THR 18 Cb 0.42 1.80 -0.06 0.00 -1.74 0.00 0.00 68.15 68.58 1i3k h THR 18 CO 0.02 0.59 0.39 0.58 0.37 0.00 0.00 175.52 177.46 1i3k h VAL 19 N 0.54 0.98 -0.18 3.16 2.07 -0.12 0.23 116.25 122.93 1i3k h VAL 19 Ca -0.01 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1i3k h VAL 19 Cb 1.22 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1i3k h VAL 19 CO 0.13 0.13 0.11 0.25 0.02 0.00 0.00 177.57 178.20 1i3k h LEU 20 N 0.71 0.18 -0.87 2.57 6.46 -1.14 -0.51 115.31 122.71 1i3k h LEU 20 Ca 0.30 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.05 1i3k h LEU 20 Cb 0.18 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 1i3k h LEU 20 CO -0.18 0.13 0.48 -0.33 -0.62 0.00 0.00 178.44 177.92 1i3k h GLU 21 N 0.22 1.20 -0.36 1.25 4.39 -0.71 -1.15 114.58 119.42 1i3k h GLU 21 Ca 0.07 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1i3k h GLU 21 Cb -0.01 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 1i3k h GLU 21 CO -0.03 0.87 0.20 -0.07 -1.16 0.00 0.00 179.01 178.83 1i3k h LEU 22 N 1.20 0.44 -0.58 1.33 3.38 -0.18 -0.81 115.31 120.08 1i3k h LEU 22 Ca 0.31 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1i3k h LEU 22 Cb 0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1i3k h LEU 22 CO -0.05 0.38 0.30 -0.07 0.09 0.00 0.00 178.44 179.09 1i3k h LEU 23 N 0.46 0.75 -1.53 1.67 3.38 -0.71 -0.12 115.31 119.21 1i3k h LEU 23 Ca 0.13 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1i3k h LEU 23 Cb 0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1i3k h LEU 23 CO -0.02 0.65 -0.12 -0.33 0.09 0.00 0.00 178.44 178.71 1i3k h GLU 24 N 0.79 0.00 -0.01 1.13 4.39 -0.92 -2.40 114.58 117.56 1i3k h GLU 24 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1i3k h GLU 24 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1i3k h GLU 24 CO -0.03 0.12 -0.12 0.00 -1.16 0.00 0.00 179.01 177.82 1i3k n ALA 25 N -2.19 2.82 -0.21 3.43 0.00 -0.34 -4.93 120.51 119.08 1i3k n ALA 25 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1i3k n ALA 25 Cb 0.33 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1i3k n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3k n GLY 26 N 1.25 0.85 3.93 0.00 0.00 -0.90 -5.07 105.19 105.26 1i3k n GLY 26 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1i3k n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i3k s TYR 27 N -2.06 3.25 -0.34 1.61 2.02 -0.10 -5.02 117.35 116.70 1i3k s TYR 27 Ca 0.00 0.45 0.01 0.00 -0.37 0.00 0.00 57.07 57.16 1i3k s TYR 27 Cb 0.00 -2.52 0.09 0.00 -0.40 0.00 0.00 41.96 39.13 1i3k s TYR 27 CO 0.00 -0.58 0.06 -0.51 -1.57 0.00 0.00 175.55 172.95 1i3k s LEU 28 N -4.77 4.58 0.26 -1.29 1.43 -1.26 -4.31 118.68 113.32 1i3k s LEU 28 Ca 0.51 -1.88 -0.04 0.00 -1.03 0.00 0.00 54.13 51.69 1i3k s LEU 28 Cb -0.10 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 1i3k s LEU 28 CO 0.42 -0.38 0.51 -2.16 0.23 0.00 0.00 176.35 174.97 1i3k s PRO 29 N 1.05 3.61 -0.14 1.29 0.04 -1.26 -1.39 135.00 138.21 1i3k s PRO 29 Ca 0.05 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.02 1i3k s PRO 29 Cb -0.20 -2.70 0.02 0.00 0.04 0.00 0.00 34.50 31.67 1i3k s PRO 29 CO -0.05 0.26 -0.12 0.08 0.04 0.00 0.00 177.00 177.21 1i3k s VAL 30 N -2.02 1.37 -0.05 -0.36 1.01 -0.12 -4.06 120.40 116.17 1i3k s VAL 30 Ca 0.43 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1i3k s VAL 30 Cb -0.11 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1i3k s VAL 30 CO 0.29 0.42 -0.07 -0.69 0.00 0.00 0.00 175.10 175.05 1i3k s VAL 31 N 1.57 3.70 0.06 2.92 1.01 0.74 -0.16 120.40 130.23 1i3k s VAL 31 Ca 0.05 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1i3k s VAL 31 Cb -0.13 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1i3k s VAL 31 CO -0.10 0.54 -0.19 0.27 0.00 0.00 0.00 175.10 175.63 1i3k s ILE 32 N -0.86 1.51 -0.14 2.22 -4.36 -0.83 -0.93 121.20 117.80 1i3k s ILE 32 Ca 0.14 -1.24 -0.30 0.00 -0.26 0.00 0.00 60.65 58.98 1i3k s ILE 32 Cb -0.11 -1.35 0.12 0.00 1.25 0.00 0.00 42.46 42.37 1i3k s ILE 32 CO 0.03 0.07 0.94 -0.62 0.24 0.00 0.00 174.94 175.59 1i3k s ASP 33 N -1.38 -0.43 0.00 4.36 2.15 -1.21 -0.67 116.67 119.48 1i3k s ASP 33 Ca 0.05 0.48 0.17 0.00 0.43 0.00 0.00 52.55 53.68 1i3k s ASP 33 Cb -0.09 0.37 0.36 0.00 -0.30 0.00 0.00 42.92 43.26 1i3k s ASP 33 CO 0.02 -0.39 1.28 -0.46 -0.17 0.00 0.00 175.17 175.46 1i3k n ASN 34 N 0.81 3.10 -0.43 -0.34 6.94 -1.12 -1.68 115.26 122.54 1i3k n ASN 34 Ca -0.12 -1.91 -0.06 0.00 -0.02 0.00 0.00 54.58 52.48 1i3k n ASN 34 Cb 0.58 -0.24 -0.02 0.00 -2.36 0.00 0.00 39.78 37.73 1i3k n ASN 34 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1i3k n PHE 35 N 1.03 0.00 -0.19 -2.53 3.01 -1.26 -4.87 117.46 112.65 1i3k n PHE 35 Ca 0.15 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.70 1i3k n PHE 35 Cb 0.49 -1.89 0.39 0.00 -0.01 0.00 0.00 39.48 38.46 1i3k n PHE 35 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1i3k h HIS 36 N 0.00 0.71 -0.53 1.38 2.76 -1.99 -3.15 115.15 114.34 1i3k h HIS 36 Ca -0.11 0.02 -0.28 0.00 -2.20 0.00 0.00 60.37 57.80 1i3k h HIS 36 Cb 0.82 -0.23 -0.40 0.00 1.55 0.00 0.00 27.41 29.14 1i3k h HIS 36 CO 0.44 0.34 -1.11 -1.71 -1.30 0.00 0.00 177.93 174.60 1i3k n ASN 37 N -4.49 1.78 -3.94 3.26 5.15 -1.26 -5.07 115.26 110.69 1i3k n ASN 37 Ca 0.12 -2.22 -0.10 0.00 -0.60 0.00 0.00 54.58 51.78 1i3k n ASN 37 Cb 0.32 -0.48 -0.11 0.00 -0.53 0.00 0.00 39.78 38.98 1i3k n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i3k s ALA 38 N -3.71 -0.01 -0.07 5.20 0.00 -1.19 -4.80 121.76 117.17 1i3k s ALA 38 Ca 0.29 -0.39 -0.17 0.00 0.00 0.00 0.00 51.96 51.68 1i3k s ALA 38 Cb 0.34 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 1i3k s ALA 38 CO -0.03 -0.15 0.47 0.12 0.00 0.00 0.00 175.76 176.17 1i3k s PHE 39 N -1.23 3.59 -0.01 0.00 2.19 -1.26 -4.77 117.98 116.50 1i3k s PHE 39 Ca -0.13 0.95 -0.30 0.00 0.33 0.00 0.00 56.93 57.77 1i3k s PHE 39 Cb -0.08 -2.48 -0.03 0.00 -1.31 0.00 0.00 43.02 39.12 1i3k s PHE 39 CO -0.00 0.33 1.00 0.50 1.83 0.00 0.00 175.22 178.87 1i3k s ARG 40 N 0.04 4.54 0.00 10.12 3.52 -1.26 -1.17 118.95 134.74 1i3k s ARG 40 Ca 0.26 1.44 0.00 0.00 -0.13 0.00 0.00 55.73 57.29 1i3k s ARG 40 Cb -0.16 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1i3k s ARG 40 CO 0.12 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.92 1i3k n GLY 41 N 2.94 -1.04 0.23 8.12 0.00 -1.01 -4.56 105.19 109.87 1i3k n GLY 41 Ca 0.07 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.56 1i3k n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i3k h GLY 42 N -0.01 0.00 0.00 -0.02 0.00 -1.97 -3.46 103.07 97.62 1i3k h GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1i3k h GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1i3k n GLY 43 N 0.62 3.05 0.13 4.60 0.00 -1.26 -5.04 105.19 107.28 1i3k n GLY 43 Ca 0.02 -1.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.07 1i3k n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i3k h SER 44 N 0.00 0.41 -4.08 1.61 4.64 -2.02 -3.46 113.55 110.65 1i3k h SER 44 Ca 0.00 -0.66 -0.48 0.00 -0.47 0.00 0.00 61.79 60.18 1i3k h SER 44 Cb 0.00 -0.12 0.05 0.00 -0.31 0.00 0.00 62.40 62.02 1i3k h SER 44 CO 0.00 1.00 0.41 -0.76 -0.87 0.00 0.00 176.83 176.61 1i3k s LEU 45 N -8.67 3.80 0.49 5.97 1.43 -1.26 -4.88 118.68 115.57 1i3k s LEU 45 Ca -0.14 2.04 -0.22 0.00 -1.03 0.00 0.00 54.13 54.78 1i3k s LEU 45 Cb 0.04 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.62 1i3k s LEU 45 CO 0.78 -0.98 1.21 -2.84 0.23 0.00 0.00 176.35 174.75 1i3k s PRO 46 N -3.25 3.53 0.26 1.29 0.02 -1.26 -2.41 135.00 133.18 1i3k s PRO 46 Ca 0.70 1.89 -0.01 0.00 0.02 0.00 0.00 61.00 63.59 1i3k s PRO 46 Cb -0.20 -2.32 0.56 0.00 0.02 0.00 0.00 34.50 32.56 1i3k s PRO 46 CO 0.23 -0.77 1.73 1.49 -0.33 0.00 0.00 177.00 179.35 1i3k h GLU 47 N 1.78 0.48 -0.83 5.54 4.57 -1.38 0.70 114.58 125.44 1i3k h GLU 47 Ca -0.50 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 57.73 1i3k h GLU 47 Cb 1.26 -0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.68 1i3k h GLU 47 CO 0.59 0.32 0.49 0.66 -1.18 0.00 0.00 179.01 179.89 1i3k h SER 48 N 0.49 0.75 0.39 1.04 4.64 -1.86 0.38 113.55 119.39 1i3k h SER 48 Ca 0.47 0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.61 1i3k h SER 48 Cb 0.75 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1i3k h SER 48 CO -0.42 0.46 -0.88 -0.07 -0.87 0.00 0.00 176.83 175.04 1i3k h LEU 49 N 0.87 0.44 -1.00 5.97 3.38 -1.55 -0.80 115.31 122.63 1i3k h LEU 49 Ca 0.38 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1i3k h LEU 49 Cb 0.25 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1i3k h LEU 49 CO -0.20 1.13 0.59 -0.09 0.09 0.00 0.00 178.44 179.96 1i3k h ARG 50 N 0.20 1.27 -0.35 1.13 2.43 -0.19 0.14 114.38 119.01 1i3k h ARG 50 Ca -0.06 -0.10 -0.14 0.00 -0.81 0.00 0.00 59.98 58.87 1i3k h ARG 50 Cb 1.50 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1i3k h ARG 50 CO 0.15 0.87 -0.35 0.00 -1.51 0.00 0.00 179.97 179.13 1i3k h ARG 51 N 1.29 0.80 -0.86 0.20 3.08 -0.79 -2.00 114.38 116.09 1i3k h ARG 51 Ca 0.34 -0.39 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1i3k h ARG 51 Cb -0.09 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1i3k h ARG 51 CO -0.07 1.02 0.47 0.28 -1.07 0.00 0.00 179.97 180.60 1i3k h VAL 52 N 0.66 1.25 -0.09 2.04 2.07 -0.08 0.11 116.25 122.22 1i3k h VAL 52 Ca 0.06 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.96 1i3k h VAL 52 Cb 0.90 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1i3k h VAL 52 CO 0.08 0.28 0.03 -0.61 0.02 0.00 0.00 177.57 177.38 1i3k h GLN 53 N 1.21 0.08 -0.54 1.57 4.15 -0.53 0.65 115.11 121.70 1i3k h GLN 53 Ca 0.30 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.72 1i3k h GLN 53 Cb 0.03 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1i3k h GLN 53 CO -0.05 0.05 0.32 1.49 -1.93 0.00 0.00 178.83 178.72 1i3k h GLU 54 N 0.08 0.73 -0.48 1.69 4.22 -0.89 0.29 114.58 120.23 1i3k h GLU 54 Ca 0.04 -0.07 -0.07 0.00 0.08 0.00 0.00 59.36 59.34 1i3k h GLU 54 Cb 0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1i3k h GLU 54 CO -0.03 0.53 0.00 -0.07 -2.18 0.00 0.00 179.01 177.26 1i3k h LEU 55 N 0.72 0.75 0.00 1.64 3.38 -0.47 -3.18 115.31 118.15 1i3k h LEU 55 Ca 0.19 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1i3k h LEU 55 Cb -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1i3k h LEU 55 CO -0.04 0.82 -1.39 0.35 0.09 0.00 0.00 178.44 178.27 1i3k n THR 56 N -4.22 0.23 -1.25 0.22 -2.24 0.19 -4.95 114.28 102.26 1i3k n THR 56 Ca 0.03 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 1i3k n THR 56 Cb 0.30 0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 1i3k n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i3k n GLY 57 N 1.28 1.03 3.41 3.38 0.00 0.10 -5.00 105.19 109.39 1i3k n GLY 57 Ca -0.01 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 1i3k n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i3k s ARG 58 N -2.57 1.48 0.36 1.61 0.52 -1.19 -5.04 118.95 114.12 1i3k s ARG 58 Ca 0.00 -1.34 -0.22 0.00 -0.52 0.00 0.00 55.73 53.65 1i3k s ARG 58 Cb 0.00 -1.94 -0.10 0.00 0.52 0.00 0.00 34.95 33.43 1i3k s ARG 58 CO 0.00 0.45 0.91 0.45 0.02 0.00 0.00 175.30 177.13 1i3k s SER 59 N -2.14 7.10 -0.24 0.23 0.15 -1.26 -4.46 113.70 113.08 1i3k s SER 59 Ca 0.15 1.69 -0.07 0.00 0.70 0.00 0.00 55.95 58.43 1i3k s SER 59 Cb -0.10 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 1i3k s SER 59 CO 0.07 -0.19 0.05 -0.69 1.20 0.00 0.00 173.24 173.69 1i3k s VAL 60 N -1.86 4.21 -0.29 4.45 1.01 -1.26 -4.95 120.40 121.70 1i3k s VAL 60 Ca 0.55 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 1i3k s VAL 60 Cb -0.14 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1i3k s VAL 60 CO 0.19 0.36 0.59 -0.70 0.00 0.00 0.00 175.10 175.54 1i3k s GLU 61 N 1.51 3.94 0.04 2.72 2.12 -1.26 -5.03 118.70 122.74 1i3k s GLU 61 Ca 0.06 0.29 0.03 0.00 0.36 0.00 0.00 54.97 55.71 1i3k s GLU 61 Cb -0.15 -3.71 -0.02 0.00 0.26 0.00 0.00 34.13 30.51 1i3k s GLU 61 CO 0.03 -0.51 -0.10 0.12 -0.54 0.00 0.00 175.26 174.26 1i3k s PHE 62 N 2.50 0.90 -0.07 5.30 5.36 -1.26 -0.19 117.98 130.52 1i3k s PHE 62 Ca 0.24 -0.39 -0.02 0.00 -0.96 0.00 0.00 56.93 55.80 1i3k s PHE 62 Cb -0.15 -0.53 0.03 0.00 -0.34 0.00 0.00 43.02 42.03 1i3k s PHE 62 CO 0.11 -0.01 0.03 -2.00 -1.46 0.00 0.00 175.22 171.88 1i3k s GLU 63 N -1.26 0.35 -0.21 10.12 2.56 -0.11 -4.95 118.70 125.21 1i3k s GLU 63 Ca -0.03 0.16 -0.29 0.00 0.00 0.00 0.00 54.97 54.80 1i3k s GLU 63 Cb -0.08 -0.94 -0.01 0.00 2.00 0.00 0.00 34.13 35.10 1i3k s GLU 63 CO 0.01 -0.35 1.35 -2.00 -0.56 0.00 0.00 175.26 173.71 1i3k s GLU 64 N 2.04 4.07 0.06 4.30 2.12 -1.26 -3.34 118.70 126.69 1i3k s GLU 64 Ca 0.04 1.57 -0.27 0.00 0.36 0.00 0.00 54.97 56.67 1i3k s GLU 64 Cb -0.13 -3.85 0.09 0.00 0.26 0.00 0.00 34.13 30.50 1i3k s GLU 64 CO -0.05 -0.93 0.92 0.00 -0.54 0.00 0.00 175.26 174.66 1i3k s MET 65 N 3.91 0.97 -0.14 4.30 0.23 -0.68 -4.94 119.30 122.96 1i3k s MET 65 Ca 0.59 -0.45 -0.05 0.00 -1.03 0.00 0.00 55.69 54.76 1i3k s MET 65 Cb -0.21 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 33.44 1i3k s MET 65 CO 0.20 -0.43 0.03 0.34 -2.03 0.00 0.00 175.02 173.13 1i3k s ASP 66 N -2.68 5.39 0.65 -1.18 -1.08 -1.26 -2.81 116.67 113.70 1i3k s ASP 66 Ca 0.08 0.09 0.42 0.00 -0.52 0.00 0.00 52.55 52.63 1i3k s ASP 66 Cb -0.01 -1.77 2.25 0.00 -1.46 0.00 0.00 42.92 41.93 1i3k s ASP 66 CO -0.05 0.26 2.31 0.16 0.52 0.00 0.00 175.17 178.38 1i3k h ILE 67 N 4.61 0.03 0.00 4.11 3.07 -1.97 -1.05 117.51 126.30 1i3k h ILE 67 Ca -0.42 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 65.91 1i3k h ILE 67 Cb 1.19 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 1i3k h ILE 67 CO 0.62 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.91 1i3k n LEU 68 N -3.12 0.00 -4.35 0.16 4.77 -1.26 -4.61 117.00 108.58 1i3k n LEU 68 Ca -0.02 0.20 -0.45 0.00 -0.03 0.00 0.00 56.01 55.71 1i3k n LEU 68 Cb 0.11 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 1i3k n LEU 68 CO 0.22 -0.02 0.36 -0.62 -1.33 0.00 0.00 177.39 176.00 1i3k s ASP 69 N -2.41 6.26 0.26 -1.43 -1.08 -0.40 -4.91 116.67 112.96 1i3k s ASP 69 Ca 0.32 -1.68 -0.03 0.00 -0.52 0.00 0.00 52.55 50.64 1i3k s ASP 69 Cb 0.19 -2.27 0.43 0.00 -1.46 0.00 0.00 42.92 39.81 1i3k s ASP 69 CO 0.40 -0.99 1.83 1.56 0.52 0.00 0.00 175.17 178.49 1i3k h GLN 70 N 8.96 0.88 -0.37 4.34 4.20 -1.86 -1.40 115.11 129.86 1i3k h GLN 70 Ca -0.24 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1i3k h GLN 70 Cb 1.08 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 1i3k h GLN 70 CO 1.05 0.58 0.24 0.78 -0.67 0.00 0.00 178.83 180.82 1i3k h GLY 71 N 0.91 0.51 1.34 3.46 0.00 -1.97 -0.67 103.07 106.65 1i3k h GLY 71 Ca 0.42 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.49 1i3k h GLY 71 CO -0.24 0.19 0.00 0.00 0.00 0.00 0.00 176.54 176.50 1i3k h ALA 72 N 1.13 1.09 -0.50 3.60 0.00 -1.80 -1.35 119.26 121.43 1i3k h ALA 72 Ca 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1i3k h ALA 72 Cb -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1i3k h ALA 72 CO -0.03 0.58 0.26 -0.07 0.00 0.00 0.00 179.25 179.99 1i3k h LEU 73 N 0.75 0.63 -0.22 0.00 3.38 -0.93 0.16 115.31 119.08 1i3k h LEU 73 Ca 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1i3k h LEU 73 Cb 0.45 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1i3k h LEU 73 CO 0.02 0.55 0.14 1.56 0.09 0.00 0.00 178.44 180.81 1i3k h GLN 74 N 0.66 0.29 -0.75 1.13 4.20 -0.87 -0.76 115.11 119.01 1i3k h GLN 74 Ca 0.17 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1i3k h GLN 74 Cb 0.07 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 1i3k h GLN 74 CO -0.03 0.19 0.41 0.00 -0.67 0.00 0.00 178.83 178.73 1i3k h ARG 75 N 0.30 1.06 -0.33 1.46 3.08 -0.95 -2.08 114.38 116.91 1i3k h ARG 75 Ca 0.08 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1i3k h ARG 75 Cb -0.03 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 1i3k h ARG 75 CO -0.02 0.79 0.18 1.25 -1.07 0.00 0.00 179.97 181.10 1i3k h LEU 76 N 1.05 0.28 -1.50 3.04 5.85 -0.07 -0.35 115.31 123.61 1i3k h LEU 76 Ca 0.26 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 1i3k h LEU 76 Cb 0.05 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1i3k h LEU 76 CO -0.04 0.21 -0.01 -0.26 -0.34 0.00 0.00 178.44 178.00 1i3k h PHE 77 N 0.37 0.00 0.18 1.25 -1.00 -1.01 -1.82 116.94 114.91 1i3k h PHE 77 Ca 0.13 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.58 1i3k h PHE 77 Cb 0.02 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.59 1i3k h PHE 77 CO -0.08 0.01 -1.58 0.87 -1.61 0.00 0.00 178.31 175.92 1i3k h LYS 78 N 0.00 0.38 -0.44 1.51 1.57 -0.89 -3.36 116.57 115.33 1i3k h LYS 78 Ca -0.00 -0.65 -0.07 0.00 -1.87 0.00 0.00 60.65 58.05 1i3k h LYS 78 Cb 0.51 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1i3k h LYS 78 CO 0.00 1.28 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.93 1i3k h LYS 79 N 0.10 0.79 -6.32 3.15 3.64 -0.68 -3.45 116.57 113.81 1i3k h LYS 79 Ca -0.28 -0.26 -0.61 0.00 -1.27 0.00 0.00 60.65 58.24 1i3k h LYS 79 Cb 2.09 -0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 33.70 1i3k h LYS 79 CO 0.20 0.86 -0.73 0.71 -2.27 0.00 0.00 179.45 178.22 1i3k s TYR 80 N -4.98 2.47 -0.45 1.91 2.02 -0.72 -5.09 117.35 112.51 1i3k s TYR 80 Ca -0.13 -0.28 -0.08 0.00 -0.37 0.00 0.00 57.07 56.21 1i3k s TYR 80 Cb 0.11 -1.13 0.11 0.00 -0.40 0.00 0.00 41.96 40.65 1i3k s TYR 80 CO 0.81 0.62 0.31 -1.12 -1.57 0.00 0.00 175.55 174.60 1i3k s SER 81 N -3.29 5.64 0.18 2.29 0.01 -1.26 -4.64 113.70 112.63 1i3k s SER 81 Ca 0.28 -1.84 -0.04 0.00 1.31 0.00 0.00 55.95 55.67 1i3k s SER 81 Cb -0.07 -1.99 -0.05 0.00 0.21 0.00 0.00 66.02 64.13 1i3k s SER 81 CO 0.16 -0.64 0.41 -0.36 0.41 0.00 0.00 173.24 173.21 1i3k s PHE 82 N 1.35 3.47 -0.10 2.43 2.99 -1.26 -2.19 117.98 124.67 1i3k s PHE 82 Ca 0.05 0.52 0.14 0.00 0.00 0.00 0.00 56.93 57.64 1i3k s PHE 82 Cb -0.25 -1.98 -0.21 0.00 0.00 0.00 0.00 43.02 40.58 1i3k s PHE 82 CO -0.01 0.38 0.35 0.00 -0.00 0.00 0.00 175.22 175.94 1i3k n MET 83 N -0.28 0.70 -3.48 0.44 0.00 0.11 0.19 117.12 114.79 1i3k n MET 83 Ca -0.03 -0.11 -0.10 0.00 0.00 0.00 0.00 57.70 57.46 1i3k n MET 83 Cb 0.53 -1.31 -0.02 0.00 0.00 0.00 0.00 33.22 32.42 1i3k n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1i3k s ALA 84 N -2.89 -1.73 -0.05 3.17 0.00 -1.22 -4.58 121.76 114.46 1i3k s ALA 84 Ca -0.04 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1i3k s ALA 84 Cb 0.09 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.82 1i3k s ALA 84 CO 0.58 -0.73 -0.10 0.08 0.00 0.00 0.00 175.76 175.59 1i3k s VAL 85 N -3.37 0.96 -0.27 0.00 1.01 -0.51 -0.99 120.40 117.23 1i3k s VAL 85 Ca 0.04 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 1i3k s VAL 85 Cb -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1i3k s VAL 85 CO -0.10 0.31 0.04 -0.63 0.00 0.00 0.00 175.10 174.71 1i3k s ILE 86 N 0.52 3.74 -0.71 2.22 1.01 0.58 -0.65 121.20 127.91 1i3k s ILE 86 Ca -0.10 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.78 1i3k s ILE 86 Cb -0.13 -2.87 0.18 0.00 0.01 0.00 0.00 42.46 39.65 1i3k s ILE 86 CO 0.02 0.19 0.63 -2.28 0.00 0.00 0.00 174.94 173.50 1i3k s HIS 87 N 1.48 3.58 -0.12 3.97 2.46 0.11 -1.15 115.29 125.62 1i3k s HIS 87 Ca 0.03 -1.93 0.20 0.00 0.47 0.00 0.00 55.06 53.83 1i3k s HIS 87 Cb -0.16 -3.70 -0.24 0.00 -0.13 0.00 0.00 32.58 28.34 1i3k s HIS 87 CO 0.01 -0.98 0.49 1.19 -2.47 0.00 0.00 174.74 172.98 1i3k n PHE 88 N 4.26 0.30 -1.69 3.88 3.72 -0.88 -2.95 117.46 124.09 1i3k n PHE 88 Ca 0.05 0.10 -0.44 0.00 -0.05 0.00 0.00 57.45 57.11 1i3k n PHE 88 Cb 0.44 -0.81 -0.03 0.00 -0.94 0.00 0.00 39.48 38.14 1i3k n PHE 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i3k n ALA 89 N -2.42 1.84 0.00 4.37 0.00 -1.12 -4.79 120.51 118.40 1i3k n ALA 89 Ca -0.13 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1i3k n ALA 89 Cb 0.79 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1i3k n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3k n GLY 90 N 2.99 0.24 3.81 0.00 0.00 -1.26 -4.93 105.19 106.04 1i3k n GLY 90 Ca 0.14 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 1i3k n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i3k s LEU 91 N 0.00 4.32 0.42 0.99 1.43 -1.26 -5.04 118.68 119.54 1i3k s LEU 91 Ca 0.00 0.40 0.07 0.00 -1.03 0.00 0.00 54.13 53.57 1i3k s LEU 91 Cb 0.00 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1i3k s LEU 91 CO 0.00 0.31 0.23 -1.59 0.23 0.00 0.00 176.35 175.52 1i3k s LYS 92 N -0.44 2.28 -0.12 1.70 -2.85 -1.26 -4.97 119.74 114.08 1i3k s LYS 92 Ca 0.13 -1.81 -0.10 0.00 -1.00 0.00 0.00 55.97 53.18 1i3k s LYS 92 Cb -0.12 -2.05 -0.05 0.00 -2.06 0.00 0.00 37.83 33.55 1i3k s LYS 92 CO 0.02 -0.17 0.22 0.00 0.10 0.00 0.00 175.35 175.53 1i3k s ALA 93 N -2.59 3.75 -0.46 0.59 0.00 -1.26 -4.82 121.76 116.97 1i3k s ALA 93 Ca 0.41 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.88 1i3k s ALA 93 Cb 0.02 -2.18 0.52 0.00 0.00 0.00 0.00 23.12 21.49 1i3k s ALA 93 CO 0.23 0.41 1.74 -1.33 0.00 0.00 0.00 175.76 176.80 1i3k n MET 94 N 2.53 2.52 -1.00 0.00 0.00 -1.26 -4.76 117.12 115.15 1i3k n MET 94 Ca -0.16 -3.34 -0.00 0.00 0.00 0.00 0.00 57.70 54.20 1i3k n MET 94 Cb 0.53 -2.15 -0.00 0.00 0.00 0.00 0.00 33.22 31.61 1i3k n MET 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1i3k n GLY 95 N -1.00 0.27 0.22 3.03 0.00 -1.26 -4.90 105.19 101.55 1i3k n GLY 95 Ca 0.52 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.36 1i3k n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i3k h GLU 96 N 0.53 0.79 -0.99 1.61 5.08 -1.89 -3.39 114.58 116.31 1i3k h GLU 96 Ca -0.00 -0.68 0.23 0.00 -1.00 0.00 0.00 59.36 57.91 1i3k h GLU 96 Cb 0.47 0.15 -0.19 0.00 0.50 0.00 0.00 28.75 29.68 1i3k h GLU 96 CO 0.00 1.28 -0.13 -1.13 -1.00 0.00 0.00 179.01 178.03 1i3k n SER 97 N -3.92 -0.25 -0.22 1.42 3.41 -1.26 -0.36 113.62 112.43 1i3k n SER 97 Ca -0.08 1.70 0.09 0.00 -0.26 0.00 0.00 58.87 60.32 1i3k n SER 97 Cb 0.77 -0.56 0.37 0.00 -0.26 0.00 0.00 64.21 64.54 1i3k n SER 97 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1i3k h VAL 98 N 0.00 0.92 0.00 -3.33 2.07 -1.98 -2.45 116.25 111.48 1i3k h VAL 98 Ca 0.53 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1i3k h VAL 98 Cb 0.95 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1i3k h VAL 98 CO -0.98 0.13 -0.73 0.00 0.02 0.00 0.00 177.57 176.01 1i3k n GLN 99 N -4.51 0.19 -2.92 1.57 1.13 0.51 -4.53 117.38 108.82 1i3k n GLN 99 Ca 0.14 0.03 -0.14 0.00 -1.94 0.00 0.00 57.00 55.08 1i3k n GLN 99 Cb 0.35 -1.59 -0.00 0.00 0.11 0.00 0.00 30.24 29.11 1i3k n GLN 99 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1i3k n LYS 100 N -1.86 1.17 -0.36 -1.09 2.85 -0.70 -4.98 118.16 113.20 1i3k n LYS 100 Ca 0.04 -3.38 0.07 0.00 -1.05 0.00 0.00 58.31 53.98 1i3k n LYS 100 Cb 0.40 -1.52 0.16 0.00 -0.65 0.00 0.00 35.03 33.42 1i3k n LYS 100 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1i3k n PRO 101 N 0.09 -0.09 -0.22 -1.58 -0.05 -1.15 -1.36 135.00 130.63 1i3k n PRO 101 Ca 0.18 1.54 0.03 0.00 -0.05 0.00 0.00 63.50 65.20 1i3k n PRO 101 Cb 0.73 -2.32 0.27 0.00 -0.05 0.00 0.00 33.50 32.13 1i3k n PRO 101 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 175.50 175.38 1i3k h LEU 102 N 0.00 0.82 -0.52 1.53 3.38 -1.93 0.06 115.31 118.65 1i3k h LEU 102 Ca 0.49 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.37 1i3k h LEU 102 Cb 0.79 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1i3k h LEU 102 CO -1.01 0.57 0.01 0.44 0.09 0.00 0.00 178.44 178.53 1i3k h ASP 103 N 0.96 0.89 -0.13 -0.43 3.45 -1.63 0.13 116.42 119.66 1i3k h ASP 103 Ca 0.30 -0.30 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1i3k h ASP 103 Cb 0.03 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 1i3k h ASP 103 CO -0.09 0.98 0.03 1.88 -1.57 0.00 0.00 179.24 180.47 1i3k h TYR 104 N 0.78 0.22 -0.64 4.55 -1.99 -1.29 -1.51 116.97 117.09 1i3k h TYR 104 Ca 0.15 -0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.81 1i3k h TYR 104 Cb 0.52 -0.06 -0.03 0.00 2.00 0.00 0.00 36.73 39.16 1i3k h TYR 104 CO 0.04 0.37 0.23 1.88 -0.00 0.00 0.00 178.16 180.68 1i3k h TYR 105 N 0.01 1.00 0.88 4.88 0.99 -0.92 0.11 116.97 123.91 1i3k h TYR 105 Ca 0.04 -0.09 -0.04 0.00 2.00 0.00 0.00 58.73 60.64 1i3k h TYR 105 Cb 0.26 -0.29 0.01 0.00 1.00 0.00 0.00 36.73 37.70 1i3k h TYR 105 CO 0.01 0.80 -0.42 -0.09 -0.00 0.00 0.00 178.16 178.45 1i3k h ARG 106 N 0.91 -1.14 -0.07 4.88 2.43 -0.66 0.24 114.38 120.96 1i3k h ARG 106 Ca 0.21 0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1i3k h ARG 106 Cb 0.24 0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1i3k h ARG 106 CO -0.01 -0.76 0.01 0.28 -1.51 0.00 0.00 179.97 177.98 1i3k h VAL 107 N -1.26 1.21 0.02 0.20 2.07 -1.28 -0.82 116.25 116.39 1i3k h VAL 107 Ca -0.12 -0.64 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 1i3k h VAL 107 Cb 0.91 1.51 0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1i3k h VAL 107 CO 0.20 0.18 -0.37 0.78 0.02 0.00 0.00 177.57 178.38 1i3k h ASN 108 N -0.12 0.30 0.03 0.57 2.35 -0.88 -2.92 115.58 114.91 1i3k h ASN 108 Ca 0.02 -0.81 -0.00 0.00 -0.55 0.00 0.00 56.30 54.96 1i3k h ASN 108 Cb 0.27 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1i3k h ASN 108 CO 0.00 1.08 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.77 1i3k h LEU 109 N -0.45 -0.03 -0.89 1.61 3.38 -1.03 -2.80 115.31 115.09 1i3k h LEU 109 Ca -0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1i3k h LEU 109 Cb 1.15 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 1i3k h LEU 109 CO 0.07 0.35 0.59 0.74 0.09 0.00 0.00 178.44 180.29 1i3k h THR 110 N -0.78 1.22 -0.70 0.22 2.02 -0.57 -0.04 112.91 114.28 1i3k h THR 110 Ca -0.00 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1i3k h THR 110 Cb 0.03 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.32 1i3k h THR 110 CO 0.01 0.22 0.37 1.23 0.37 0.00 0.00 175.52 177.72 1i3k h GLY 111 N 1.20 1.05 1.03 2.16 0.00 -0.97 -0.28 103.07 107.27 1i3k h GLY 111 Ca 0.33 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1i3k h GLY 111 CO -0.08 0.47 -0.07 -0.84 0.00 0.00 0.00 176.54 176.02 1i3k h THR 112 N 0.97 1.27 -0.54 4.70 2.02 -1.16 -1.81 112.91 118.35 1i3k h THR 112 Ca 0.25 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 1i3k h THR 112 Cb 0.06 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1i3k h THR 112 CO -0.04 0.41 0.28 0.40 0.37 0.00 0.00 175.52 176.95 1i3k h ILE 113 N 0.74 1.19 -0.94 3.11 2.04 -0.73 0.58 117.51 123.49 1i3k h ILE 113 Ca 0.13 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.53 1i3k h ILE 113 Cb 0.61 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1i3k h ILE 113 CO 0.04 0.20 0.61 1.56 0.00 0.00 0.00 178.15 180.56 1i3k h GLN 114 N 0.72 1.13 -0.36 2.37 4.20 -0.93 0.55 115.11 122.80 1i3k h GLN 114 Ca 0.19 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1i3k h GLN 114 Cb 0.07 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1i3k h GLN 114 CO -0.03 0.75 0.11 1.25 -0.67 0.00 0.00 178.83 180.24 1i3k h LEU 115 N 1.16 0.52 -0.98 1.46 5.85 -0.76 -1.88 115.31 120.69 1i3k h LEU 115 Ca 0.38 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1i3k h LEU 115 Cb 0.03 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1i3k h LEU 115 CO -0.13 0.59 0.42 -0.07 -0.34 0.00 0.00 178.44 178.91 1i3k h LEU 116 N 0.43 1.02 -0.76 2.25 3.38 -0.23 -0.21 115.31 121.20 1i3k h LEU 116 Ca 0.12 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1i3k h LEU 116 Cb 0.26 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1i3k h LEU 116 CO -0.00 0.84 0.17 -0.33 0.09 0.00 0.00 178.44 179.20 1i3k h GLU 117 N 1.14 1.11 -0.35 1.13 5.08 -0.52 -1.20 114.58 120.96 1i3k h GLU 117 Ca 0.28 -0.26 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 1i3k h GLU 117 Cb 0.06 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1i3k h GLU 117 CO -0.04 0.98 -0.42 0.97 -1.00 0.00 0.00 179.01 179.50 1i3k h ILE 118 N 1.05 1.27 -0.37 3.13 6.09 -1.06 0.34 117.51 127.97 1i3k h ILE 118 Ca 0.22 -1.60 0.03 0.00 -1.37 0.00 0.00 64.86 62.14 1i3k h ILE 118 Cb 0.37 1.44 -0.03 0.00 0.47 0.00 0.00 36.82 39.07 1i3k h ILE 118 CO 0.00 0.53 0.18 0.24 -3.07 0.00 0.00 178.15 176.03 1i3k h MET 119 N 0.72 0.36 0.02 2.19 2.86 -0.79 -1.39 114.93 118.89 1i3k h MET 119 Ca 0.05 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1i3k h MET 119 Cb 1.01 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1i3k h MET 119 CO 0.10 0.24 -0.06 -0.22 1.06 0.00 0.00 176.91 178.03 1i3k h LYS 120 N 0.37 -0.10 -0.95 1.72 3.64 -1.06 0.36 116.57 120.54 1i3k h LYS 120 Ca 0.15 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.68 1i3k h LYS 120 Cb 0.07 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.83 1i3k h LYS 120 CO -0.11 -0.07 0.60 0.00 -2.27 0.00 0.00 179.45 177.60 1i3k h ALA 121 N 0.87 1.69 -0.18 5.00 0.00 -0.55 -1.81 119.26 124.28 1i3k h ALA 121 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1i3k h ALA 121 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i3k h ALA 121 CO -0.05 0.05 0.00 0.72 0.00 0.00 0.00 179.25 179.98 1i3k n HIS 122 N -4.61 0.22 -1.92 0.00 8.25 -0.56 -4.94 115.22 111.66 1i3k n HIS 122 Ca 0.19 -0.11 -0.12 0.00 -0.26 0.00 0.00 57.72 57.42 1i3k n HIS 122 Cb 0.43 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.52 1i3k n HIS 122 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i3k n GLY 123 N 1.25 0.37 3.28 -1.41 0.00 -0.30 -4.95 105.19 103.43 1i3k n GLY 123 Ca 0.17 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1i3k n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i3k s VAL 124 N -2.54 5.57 -0.71 1.61 1.01 0.11 -4.93 120.40 120.51 1i3k s VAL 124 Ca 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 61.98 58.42 1i3k s VAL 124 Cb 0.00 -4.36 0.30 0.00 0.00 0.00 0.00 36.38 32.32 1i3k s VAL 124 CO 0.00 -1.16 2.18 0.29 0.00 0.00 0.00 175.10 176.41 1i3k n LYS 125 N 2.62 2.62 -3.70 2.72 5.02 -1.26 -4.51 118.16 121.67 1i3k n LYS 125 Ca 0.23 -3.14 -0.26 0.00 -2.02 0.00 0.00 58.31 53.11 1i3k n LYS 125 Cb 0.39 -2.21 -0.17 0.00 -0.02 0.00 0.00 35.03 33.01 1i3k n LYS 125 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1i3k s ASN 126 N -0.86 2.52 0.05 4.39 0.01 -1.25 -0.98 114.94 118.82 1i3k s ASN 126 Ca 0.55 -0.64 0.05 0.00 -0.71 0.00 0.00 52.86 52.10 1i3k s ASN 126 Cb 0.43 -0.45 -0.02 0.00 0.41 0.00 0.00 41.25 41.61 1i3k s ASN 126 CO -0.29 -0.30 -0.13 -0.22 -1.51 0.00 0.00 177.10 174.65 1i3k s LEU 127 N 1.97 2.22 -0.15 0.60 2.96 -0.64 -1.43 118.68 124.21 1i3k s LEU 127 Ca 0.01 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1i3k s LEU 127 Cb -0.16 -0.50 0.02 0.00 0.50 0.00 0.00 46.19 46.04 1i3k s LEU 127 CO -0.08 -0.04 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.03 1i3k s VAL 128 N -1.07 1.91 -0.06 1.68 1.01 0.17 -0.85 120.40 123.19 1i3k s VAL 128 Ca -0.01 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1i3k s VAL 128 Cb -0.09 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1i3k s VAL 128 CO 0.02 0.52 -0.18 0.12 0.00 0.00 0.00 175.10 175.58 1i3k s PHE 129 N 1.13 2.61 -0.84 5.22 2.19 -0.28 -0.71 117.98 127.30 1i3k s PHE 129 Ca -0.00 -0.35 -0.25 0.00 0.33 0.00 0.00 56.93 56.65 1i3k s PHE 129 Cb -0.14 -1.63 0.03 0.00 -1.31 0.00 0.00 43.02 39.97 1i3k s PHE 129 CO -0.07 0.04 1.39 -1.12 1.83 0.00 0.00 175.22 177.28 1i3k s SER 130 N -0.48 6.20 0.00 6.13 0.01 -1.15 -1.62 113.70 122.79 1i3k s SER 130 Ca 0.06 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.55 1i3k s SER 130 Cb -0.12 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1i3k s SER 130 CO 0.01 -1.78 0.00 -0.24 0.41 0.00 0.00 173.24 171.64 1i3k n SER 131 N 9.54 0.12 -3.59 2.44 2.88 0.77 -4.97 113.62 120.82 1i3k n SER 131 Ca 0.16 -0.68 -0.16 0.00 -1.33 0.00 0.00 58.87 56.87 1i3k n SER 131 Cb 0.50 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.90 1i3k n SER 131 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1i3k s SER 132 N -0.96 -0.49 0.20 -3.46 0.15 -1.26 -2.82 113.70 105.06 1i3k s SER 132 Ca 0.00 0.39 0.16 0.00 0.70 0.00 0.00 55.95 57.20 1i3k s SER 132 Cb 0.00 0.48 0.80 0.00 -1.71 0.00 0.00 66.02 65.59 1i3k s SER 132 CO 0.00 -0.62 1.49 0.00 1.20 0.00 0.00 173.24 175.31 1i3k n ALA 133 N 0.79 1.19 0.31 5.45 0.00 -0.24 -1.70 120.51 126.31 1i3k n ALA 133 Ca -0.19 0.11 0.19 0.00 0.00 0.00 0.00 53.44 53.55 1i3k n ALA 133 Cb 0.58 -1.24 0.99 0.00 0.00 0.00 0.00 19.45 19.78 1i3k n ALA 133 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1i3k h THR 134 N 0.00 0.14 0.00 0.00 2.02 -1.93 -2.01 112.91 111.13 1i3k h THR 134 Ca 0.00 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1i3k h THR 134 Cb 0.08 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1i3k h THR 134 CO 0.00 0.02 -0.01 -0.37 0.37 0.00 0.00 175.52 175.53 1i3k h VAL 135 N 0.00 0.07 0.00 3.16 -1.51 -1.61 -1.79 116.25 114.57 1i3k h VAL 135 Ca -0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1i3k h VAL 135 Cb 0.18 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1i3k h VAL 135 CO 0.00 0.01 0.00 1.88 -1.23 0.00 0.00 177.57 178.23 1i3k h TYR 136 N 0.00 0.00 -0.51 5.19 -1.99 -1.58 -0.56 116.97 117.52 1i3k h TYR 136 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1i3k h TYR 136 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.90 1i3k h TYR 136 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1i3k n GLY 137 N 0.87 -0.52 3.67 3.88 0.00 -0.68 -4.62 105.19 107.78 1i3k n GLY 137 Ca 0.04 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1i3k n GLY 137 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i3k s ASN 138 N -4.00 6.59 0.18 1.61 3.04 -1.26 -4.87 114.94 116.23 1i3k s ASN 138 Ca 0.00 2.42 -0.33 0.00 0.04 0.00 0.00 52.86 54.98 1i3k s ASN 138 Cb 0.00 -2.54 -0.14 0.00 -1.54 0.00 0.00 41.25 37.03 1i3k s ASN 138 CO 0.00 -0.95 1.46 -2.65 -3.04 0.00 0.00 177.10 171.92 1i3k n PRO 139 N 6.83 1.91 0.04 0.43 -0.02 -1.26 -4.87 135.00 138.06 1i3k n PRO 139 Ca 0.18 0.68 0.01 0.00 -2.02 0.00 0.00 63.50 62.35 1i3k n PRO 139 Cb 0.42 -2.38 -0.07 0.00 -0.02 0.00 0.00 33.50 31.45 1i3k n PRO 139 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1i3k h GLN 140 N 4.94 0.00 -2.98 -0.52 4.20 -1.89 -3.48 115.11 115.38 1i3k h GLN 140 Ca -0.45 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.23 1i3k h GLN 140 Cb 1.28 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.93 1i3k h GLN 140 CO 0.81 0.27 0.17 1.52 -0.67 0.00 0.00 178.83 180.93 1i3k s TYR 141 N -2.97 -0.50 0.00 2.96 1.13 -1.26 -5.19 117.35 111.53 1i3k s TYR 141 Ca -0.02 0.33 0.01 0.00 -1.41 0.00 0.00 57.07 55.98 1i3k s TYR 141 Cb 0.09 0.51 -0.01 0.00 -1.10 0.00 0.00 41.96 41.45 1i3k s TYR 141 CO 0.81 -0.81 -0.05 -0.51 -2.51 0.00 0.00 175.55 172.48 1i3k s LEU 142 N -2.64 2.06 0.79 -3.49 1.43 -1.26 -4.29 118.68 111.27 1i3k s LEU 142 Ca 0.00 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 1i3k s LEU 142 Cb -0.01 -0.19 0.06 0.00 0.03 0.00 0.00 46.19 46.08 1i3k s LEU 142 CO -0.11 -0.00 1.08 -2.16 0.23 0.00 0.00 176.35 175.39 1i3k s PRO 143 N -0.39 2.17 -0.26 1.29 0.04 -1.26 -5.11 135.00 131.49 1i3k s PRO 143 Ca -0.01 0.90 -0.26 0.00 0.04 0.00 0.00 61.00 61.67 1i3k s PRO 143 Cb -0.03 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1i3k s PRO 143 CO -0.00 -1.62 0.92 -0.51 0.04 0.00 0.00 177.00 175.82 1i3k s LEU 144 N -5.85 4.07 0.36 -3.56 1.43 -0.33 -4.67 118.68 110.13 1i3k s LEU 144 Ca 0.61 1.09 0.07 0.00 -1.03 0.00 0.00 54.13 54.87 1i3k s LEU 144 Cb -0.16 -3.32 -0.01 0.00 0.03 0.00 0.00 46.19 42.73 1i3k s LEU 144 CO 0.55 -0.62 0.43 1.51 0.23 0.00 0.00 176.35 178.45 1i3k s ASP 145 N 1.37 5.62 0.59 2.29 -4.77 -1.26 -0.59 116.67 119.92 1i3k s ASP 145 Ca 0.39 -0.38 0.33 0.00 -3.30 0.00 0.00 52.55 49.59 1i3k s ASP 145 Cb -0.15 -0.98 1.87 0.00 -1.09 0.00 0.00 42.92 42.58 1i3k s ASP 145 CO 0.08 -0.49 2.24 -0.33 0.70 0.00 0.00 175.17 177.37 1i3k h GLU 146 N 0.96 0.00 -0.00 2.11 3.07 -1.94 -1.47 114.58 117.32 1i3k h GLU 146 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1i3k h GLU 146 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1i3k h GLU 146 CO 0.53 0.03 -0.00 0.00 -1.40 0.00 0.00 179.01 178.17 1i3k n ALA 147 N -2.25 2.52 -1.76 3.43 0.00 -1.26 -4.86 120.51 116.34 1i3k n ALA 147 Ca -0.03 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 52.89 1i3k n ALA 147 Cb 0.12 -1.49 0.02 0.00 0.00 0.00 0.00 19.45 18.10 1i3k n ALA 147 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1i3k s HIS 148 N -2.48 2.50 0.61 0.00 5.04 -0.56 -4.93 115.29 115.46 1i3k s HIS 148 Ca 0.32 1.49 -0.19 0.00 -1.54 0.00 0.00 55.06 55.14 1i3k s HIS 148 Cb 0.21 -3.52 -0.04 0.00 0.04 0.00 0.00 32.58 29.27 1i3k s HIS 148 CO 0.45 -2.16 1.15 -2.30 -2.34 0.00 0.00 174.74 169.53 1i3k n PRO 149 N -1.20 1.11 -4.26 2.88 -0.02 -1.26 -4.99 135.00 127.27 1i3k n PRO 149 Ca 0.11 0.43 -0.16 0.00 -2.02 0.00 0.00 63.50 61.86 1i3k n PRO 149 Cb 0.48 -2.36 -0.11 0.00 -0.02 0.00 0.00 33.50 31.50 1i3k n PRO 149 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1i3k s THR 150 N -1.42 1.31 0.00 3.45 -4.23 -1.26 -4.45 115.64 109.03 1i3k s THR 150 Ca 0.77 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 1i3k s THR 150 Cb -0.41 -1.70 0.00 0.00 1.34 0.00 0.00 72.50 71.73 1i3k s THR 150 CO 0.45 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1i3k n GLY 151 N 0.14 0.79 3.16 3.99 0.00 -0.22 -4.99 105.19 108.06 1i3k n GLY 151 Ca -0.13 -2.09 -0.17 0.00 0.00 0.00 0.00 46.02 43.63 1i3k n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3k n GLY 152 N 0.59 -0.28 3.85 -0.02 0.00 -1.26 -4.58 105.19 103.50 1i3k n GLY 152 Ca 0.00 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1i3k n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3k h THR 154 N 1.20 1.42 -2.54 0.00 2.02 -1.92 -3.45 112.91 109.63 1i3k h THR 154 Ca -0.47 -2.24 -0.52 0.00 0.77 0.00 0.00 66.41 63.95 1i3k h THR 154 Cb 1.18 2.19 -0.14 0.00 -1.74 0.00 0.00 68.15 69.64 1i3k h THR 154 CO 0.63 0.66 -0.72 0.54 0.37 0.00 0.00 175.52 176.99 1i3k s ASN 155 N -6.93 3.02 0.38 4.18 6.03 -1.26 -5.01 114.94 115.34 1i3k s ASN 155 Ca -0.04 -1.08 0.12 0.00 -1.03 0.00 0.00 52.86 50.82 1i3k s ASN 155 Cb 0.11 -0.21 0.90 0.00 -3.03 0.00 0.00 41.25 39.02 1i3k s ASN 155 CO 0.82 -0.15 1.87 -0.65 -2.03 0.00 0.00 177.10 176.96 1i3k h PRO 156 N 2.36 0.58 0.28 3.55 0.11 -1.91 1.02 132.00 137.99 1i3k h PRO 156 Ca -0.39 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1i3k h PRO 156 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1i3k h PRO 156 CO 0.63 0.38 -0.14 -0.92 -0.21 0.00 0.00 178.00 177.75 1i3k h TYR 157 N 0.60 -0.35 -0.52 0.65 5.03 -1.95 -0.02 116.97 120.40 1i3k h TYR 157 Ca 0.45 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.71 1i3k h TYR 157 Cb 0.85 0.12 -0.02 0.00 1.55 0.00 0.00 36.73 39.22 1i3k h TYR 157 CO -0.00 -0.02 0.15 0.78 -1.32 0.00 0.00 178.16 177.75 1i3k h GLY 158 N -0.74 0.83 0.97 1.82 0.00 -1.61 -1.89 103.07 102.44 1i3k h GLY 158 Ca -0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1i3k h GLY 158 CO 0.06 0.43 0.22 0.50 0.00 0.00 0.00 176.54 177.75 1i3k h LYS 159 N 0.75 0.70 -0.79 4.80 1.57 0.11 -1.69 116.57 122.02 1i3k h LYS 159 Ca 0.17 -0.11 0.10 0.00 -1.87 0.00 0.00 60.65 58.93 1i3k h LYS 159 Cb 0.24 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.36 1i3k h LYS 159 CO -0.01 0.61 0.44 0.66 -0.57 0.00 0.00 179.45 180.58 1i3k h SER 160 N 0.63 0.61 -0.48 0.86 4.64 -0.42 0.24 113.55 119.64 1i3k h SER 160 Ca 0.16 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.50 1i3k h SER 160 Cb 0.15 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1i3k h SER 160 CO -0.02 0.35 0.17 0.11 -0.87 0.00 0.00 176.83 176.57 1i3k h LYS 161 N 0.73 0.74 -0.39 4.77 1.79 -0.63 -1.18 116.57 122.40 1i3k h LYS 161 Ca 0.39 -0.15 -0.06 0.00 -2.18 0.00 0.00 60.65 58.64 1i3k h LYS 161 Cb 0.37 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1i3k h LYS 161 CO -0.25 0.68 -0.00 0.35 -1.08 0.00 0.00 179.45 179.14 1i3k h PHE 162 N 0.64 0.75 -0.71 -1.35 3.57 -0.64 -1.41 116.94 117.79 1i3k h PHE 162 Ca 0.16 -0.13 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1i3k h PHE 162 Cb 0.23 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 1i3k h PHE 162 CO 0.01 0.77 0.45 0.74 -2.23 0.00 0.00 178.31 178.05 1i3k h PHE 163 N 0.51 0.83 -0.58 0.41 0.04 -0.42 -1.15 116.94 116.59 1i3k h PHE 163 Ca 0.11 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 1i3k h PHE 163 Cb 0.48 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 1i3k h PHE 163 CO 0.04 0.48 0.30 0.82 -0.60 0.00 0.00 178.31 179.35 1i3k h ILE 164 N 0.87 1.20 -0.67 -0.55 2.04 -0.99 -0.36 117.51 119.04 1i3k h ILE 164 Ca 0.29 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1i3k h ILE 164 Cb 0.02 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 1i3k h ILE 164 CO -0.11 0.22 0.40 -0.33 0.00 0.00 0.00 178.15 178.32 1i3k h GLU 165 N 0.78 0.73 -0.64 2.37 5.08 -0.70 -1.13 114.58 121.06 1i3k h GLU 165 Ca 0.20 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1i3k h GLU 165 Cb 0.07 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1i3k h GLU 165 CO -0.03 0.48 0.27 0.93 -1.00 0.00 0.00 179.01 179.66 1i3k h GLU 166 N 0.75 0.96 -0.74 2.33 4.39 -0.72 -0.01 114.58 121.54 1i3k h GLU 166 Ca 0.28 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1i3k h GLU 166 Cb 0.10 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1i3k h GLU 166 CO -0.14 0.80 0.44 0.52 -1.16 0.00 0.00 179.01 179.46 1i3k h MET 167 N 0.90 1.00 -0.54 2.33 2.86 -0.58 -1.48 114.93 119.43 1i3k h MET 167 Ca 0.22 -0.10 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 1i3k h MET 167 Cb 0.19 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1i3k h MET 167 CO -0.02 0.72 -0.07 0.82 1.06 0.00 0.00 176.91 179.42 1i3k h ILE 168 N 1.01 1.26 -0.63 -1.22 2.04 -0.85 -0.74 117.51 118.38 1i3k h ILE 168 Ca 0.26 -1.20 0.01 0.00 1.00 0.00 0.00 64.86 64.94 1i3k h ILE 168 Cb -0.02 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1i3k h ILE 168 CO -0.05 0.42 0.41 0.03 0.00 0.00 0.00 178.15 178.97 1i3k h ARG 169 N 0.88 0.80 -0.59 2.37 3.08 -0.62 -0.85 114.38 119.46 1i3k h ARG 169 Ca 0.15 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1i3k h ARG 169 Cb 0.61 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1i3k h ARG 169 CO 0.04 0.53 0.37 -0.44 -1.07 0.00 0.00 179.97 179.40 1i3k h ASP 170 N 0.83 0.69 -0.45 7.04 3.45 -0.83 -0.80 116.42 126.35 1i3k h ASP 170 Ca 0.24 -0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 1i3k h ASP 170 Cb -0.06 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.52 1i3k h ASP 170 CO -0.07 0.53 0.26 0.25 -1.57 0.00 0.00 179.24 178.64 1i3k h LEU 171 N 0.80 0.55 -1.25 1.55 5.85 -0.67 -0.54 115.31 121.60 1i3k h LEU 171 Ca 0.21 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1i3k h LEU 171 Cb -0.05 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1i3k h LEU 171 CO -0.04 0.46 -0.01 0.00 -0.34 0.00 0.00 178.44 178.51 1i3k h GLN 173 N 0.48 0.23 -0.33 0.00 1.08 -0.55 -3.17 115.11 112.86 1i3k h GLN 173 Ca 0.10 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 1i3k h GLN 173 Cb 0.33 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1i3k h GLN 173 CO 0.01 0.39 -0.14 0.00 -0.95 0.00 0.00 178.83 178.14 1i3k h ALA 174 N 0.83 1.15 -3.22 3.87 0.00 -0.67 -3.39 119.26 117.82 1i3k h ALA 174 Ca 0.04 -0.30 -0.56 0.00 0.00 0.00 0.00 54.91 54.10 1i3k h ALA 174 Cb 0.27 -0.14 -0.40 0.00 0.00 0.00 0.00 17.79 17.51 1i3k h ALA 174 CO 0.00 0.54 -0.76 0.34 0.00 0.00 0.00 179.25 179.37 1i3k s ASP 175 N -6.76 3.56 0.00 0.00 3.68 -0.19 -4.99 116.67 111.99 1i3k s ASP 175 Ca -0.08 -1.27 0.06 0.00 2.13 0.00 0.00 52.55 53.40 1i3k s ASP 175 Cb 0.14 -0.76 0.27 0.00 -1.45 0.00 0.00 42.92 41.12 1i3k s ASP 175 CO 0.79 -0.36 1.20 0.29 0.13 0.00 0.00 175.17 177.23 1i3k n LYS 176 N 4.93 0.00 0.22 4.34 4.76 -1.24 -1.92 118.16 129.25 1i3k n LYS 176 Ca -0.06 0.40 0.12 0.00 -2.87 0.00 0.00 58.31 55.90 1i3k n LYS 176 Cb 0.44 -1.51 0.22 0.00 -1.84 0.00 0.00 35.03 32.35 1i3k n LYS 176 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1i3k h THR 177 N 0.00 0.07 -3.99 -0.18 1.35 -1.94 -3.46 112.91 104.76 1i3k h THR 177 Ca 0.00 -1.04 -0.49 0.00 -0.55 0.00 0.00 66.41 64.33 1i3k h THR 177 Cb 0.11 1.97 0.04 0.00 -1.73 0.00 0.00 68.15 68.54 1i3k h THR 177 CO 0.00 0.04 0.44 0.26 -0.25 0.00 0.00 175.52 176.01 1i3k s TRP 178 N -3.25 3.05 -0.06 4.73 0.52 -0.81 -4.92 118.94 118.21 1i3k s TRP 178 Ca 0.06 1.59 0.02 0.00 0.02 0.00 0.00 56.10 57.79 1i3k s TRP 178 Cb 0.06 -3.23 0.01 0.00 -1.15 0.00 0.00 33.47 29.15 1i3k s TRP 178 CO 0.66 -1.05 -0.12 -0.80 0.02 0.00 0.00 176.95 175.66 1i3k s ASN 179 N -1.52 1.77 -0.08 2.95 0.01 -0.15 -3.93 114.94 113.98 1i3k s ASN 179 Ca 0.62 -0.30 -0.05 0.00 -0.71 0.00 0.00 52.86 52.42 1i3k s ASN 179 Cb -0.24 -0.79 0.04 0.00 0.41 0.00 0.00 41.25 40.66 1i3k s ASN 179 CO 0.30 0.04 0.20 0.68 -1.51 0.00 0.00 177.10 176.81 1i3k s VAL 180 N 0.61 -0.03 -0.24 1.60 -7.23 0.27 -1.61 120.40 113.77 1i3k s VAL 180 Ca -0.14 0.12 -0.02 0.00 -1.81 0.00 0.00 61.98 60.13 1i3k s VAL 180 Cb -0.15 -0.30 0.01 0.00 0.56 0.00 0.00 36.38 36.50 1i3k s VAL 180 CO 0.04 0.05 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.13 1i3k s VAL 181 N 0.90 3.03 -0.31 1.32 1.01 -0.03 -0.74 120.40 125.57 1i3k s VAL 181 Ca -0.07 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 1i3k s VAL 181 Cb -0.08 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1i3k s VAL 181 CO -0.05 0.28 0.27 -0.76 0.00 0.00 0.00 175.10 174.83 1i3k s LEU 182 N 1.38 4.28 -0.36 3.92 1.43 0.49 -1.12 118.68 128.70 1i3k s LEU 182 Ca 0.02 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 1i3k s LEU 182 Cb -0.16 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.87 1i3k s LEU 182 CO -0.04 -0.19 0.20 -0.76 0.23 0.00 0.00 176.35 175.79 1i3k s LEU 183 N 1.84 4.61 -0.78 1.79 1.43 -0.64 -0.75 118.68 126.18 1i3k s LEU 183 Ca 0.09 -0.87 -0.20 0.00 -1.03 0.00 0.00 54.13 52.12 1i3k s LEU 183 Cb -0.17 -2.03 0.10 0.00 0.03 0.00 0.00 46.19 44.12 1i3k s LEU 183 CO 0.11 -0.34 1.02 -0.13 0.23 0.00 0.00 176.35 177.23 1i3k s ARG 184 N 1.58 3.33 0.48 1.70 0.52 0.57 -0.16 118.95 126.97 1i3k s ARG 184 Ca 0.03 -1.31 -0.21 0.00 -0.52 0.00 0.00 55.73 53.72 1i3k s ARG 184 Cb -0.19 -4.56 -0.08 0.00 0.52 0.00 0.00 34.95 30.65 1i3k s ARG 184 CO 0.07 -1.77 1.08 0.71 0.02 0.00 0.00 175.30 175.41 1i3k s TYR 185 N 3.31 2.96 0.00 -0.53 2.02 -1.13 -0.70 117.35 123.28 1i3k s TYR 185 Ca 0.26 1.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.54 1i3k s TYR 185 Cb -0.12 -3.18 0.00 0.00 -0.40 0.00 0.00 41.96 38.26 1i3k s TYR 185 CO 0.01 -1.06 0.00 1.19 -1.57 0.00 0.00 175.55 174.12 1i3k n PHE 186 N -0.79 0.00 -3.81 2.71 3.72 -0.85 -1.08 117.46 117.36 1i3k n PHE 186 Ca 0.09 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.14 1i3k n PHE 186 Cb 0.51 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.93 1i3k n PHE 186 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1i3k s ASN 187 N -1.00 4.98 0.23 4.37 -0.87 -0.58 -4.76 114.94 117.32 1i3k s ASN 187 Ca 0.00 -2.70 -0.31 0.00 -1.57 0.00 0.00 52.86 48.29 1i3k s ASN 187 Cb 0.00 -1.78 -0.10 0.00 -0.02 0.00 0.00 41.25 39.34 1i3k s ASN 187 CO 0.00 -0.37 1.53 -2.84 -2.57 0.00 0.00 177.10 172.85 1i3k s PRO 188 N 0.16 4.21 0.31 -0.60 0.02 -1.26 -0.69 135.00 137.16 1i3k s PRO 188 Ca 0.15 2.40 -0.10 0.00 0.02 0.00 0.00 61.00 63.47 1i3k s PRO 188 Cb -0.22 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.21 1i3k s PRO 188 CO -0.03 -0.54 0.56 -0.08 -0.33 0.00 0.00 177.00 176.58 1i3k s THR 189 N 0.37 0.00 0.00 0.99 -1.32 0.61 -4.85 115.64 111.44 1i3k s THR 189 Ca 0.64 -1.37 0.00 0.00 -1.21 0.00 0.00 61.69 59.75 1i3k s THR 189 Cb -0.44 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.05 1i3k s THR 189 CO 0.40 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.42 1i3k n GLY 190 N -0.49 -1.83 3.59 6.08 0.00 -1.26 0.18 105.19 111.46 1i3k n GLY 190 Ca -0.02 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.18 1i3k n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3k s ALA 191 N -1.55 -1.80 0.40 4.61 0.00 -1.26 -4.59 121.76 117.57 1i3k s ALA 191 Ca 0.00 0.74 -0.26 0.00 0.00 0.00 0.00 51.96 52.44 1i3k s ALA 191 Cb 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 23.12 23.48 1i3k s ALA 191 CO 0.00 -0.81 1.21 1.58 0.00 0.00 0.00 175.76 177.74 1i3k n HIS 192 N -0.32 1.94 0.32 0.00 -0.00 -1.25 -4.79 115.22 111.12 1i3k n HIS 192 Ca -0.08 0.53 0.17 0.00 0.46 0.00 0.00 57.72 58.81 1i3k n HIS 192 Cb 0.61 -2.35 0.92 0.00 -0.12 0.00 0.00 29.99 29.06 1i3k n HIS 192 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1i3k h ALA 193 N 2.07 1.19 0.00 1.57 0.00 -1.93 -1.56 119.26 120.60 1i3k h ALA 193 Ca -0.46 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1i3k h ALA 193 Cb 1.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1i3k h ALA 193 CO 0.60 -0.19 -0.37 0.66 0.00 0.00 0.00 179.25 179.95 1i3k h SER 194 N 0.00 0.00 0.00 0.00 4.64 -1.94 -3.46 113.55 112.79 1i3k h SER 194 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i3k h SER 194 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1i3k h SER 194 CO 0.00 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 1i3k n GLY 195 N -0.04 0.91 0.18 -0.77 0.00 -0.59 -4.92 105.19 99.96 1i3k n GLY 195 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1i3k n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3k s ILE 197 N -3.09 0.80 -1.23 0.00 -4.36 -1.26 -5.02 121.20 107.04 1i3k s ILE 197 Ca 0.05 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1i3k s ILE 197 Cb 0.06 -1.74 0.00 0.00 1.25 0.00 0.00 42.46 42.03 1i3k s ILE 197 CO 0.71 -0.82 0.00 0.61 0.24 0.00 0.00 174.94 175.68 1i3k n GLY 198 N -0.09 -1.41 3.72 6.27 0.00 -1.26 -3.97 105.19 108.46 1i3k n GLY 198 Ca -0.11 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1i3k n GLY 198 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i3k s GLU 199 N -1.23 4.30 -0.60 1.61 2.12 -1.26 -4.87 118.70 118.78 1i3k s GLU 199 Ca 0.00 2.17 0.06 0.00 0.36 0.00 0.00 54.97 57.55 1i3k s GLU 199 Cb 0.00 -3.20 0.30 0.00 0.26 0.00 0.00 34.13 31.50 1i3k s GLU 199 CO 0.00 -0.44 0.85 -3.47 -0.54 0.00 0.00 175.26 171.67 1i3k n ASP 200 N 3.44 4.02 -4.75 -1.70 2.03 -1.26 -5.00 116.55 113.32 1i3k n ASP 200 Ca 0.10 -3.55 -0.38 0.00 0.52 0.00 0.00 54.79 51.48 1i3k n ASP 200 Cb 0.41 -0.61 0.03 0.00 -0.72 0.00 0.00 41.12 40.23 1i3k n ASP 200 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1i3k s PRO 201 N -2.99 3.18 -0.17 -0.67 0.04 -1.26 -4.98 135.00 128.16 1i3k s PRO 201 Ca 0.45 2.06 -0.07 0.00 0.04 0.00 0.00 61.00 63.47 1i3k s PRO 201 Cb 0.22 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1i3k s PRO 201 CO -0.08 -1.10 0.06 -0.65 0.04 0.00 0.00 177.00 175.27 1i3k s GLN 202 N -2.98 3.86 1.75 4.56 -1.52 -1.26 -4.98 119.66 119.08 1i3k s GLN 202 Ca 0.72 -0.33 0.00 0.00 -1.95 0.00 0.00 55.36 53.80 1i3k s GLN 202 Cb -0.36 -3.17 0.00 0.00 -0.22 0.00 0.00 33.01 29.26 1i3k s GLN 202 CO 0.42 0.35 0.00 0.41 -0.25 0.00 0.00 175.29 176.22 1i3k n GLY 203 N 3.30 -1.51 3.64 3.09 0.00 -1.26 -4.74 105.19 107.71 1i3k n GLY 203 Ca -0.17 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 1i3k n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i3k s ILE 204 N 0.00 3.65 0.39 -0.61 1.01 -1.26 -4.95 121.20 119.43 1i3k s ILE 204 Ca 0.00 0.76 -0.27 0.00 0.00 0.00 0.00 60.65 61.14 1i3k s ILE 204 Cb 0.00 -3.60 -0.10 0.00 0.01 0.00 0.00 42.46 38.77 1i3k s ILE 204 CO 0.00 -0.19 1.41 -2.84 0.00 0.00 0.00 174.94 173.33 1i3k s PRO 205 N 4.44 4.05 0.05 2.79 0.02 -1.26 -4.94 135.00 140.15 1i3k s PRO 205 Ca 0.72 2.41 0.15 0.00 0.02 0.00 0.00 61.00 64.30 1i3k s PRO 205 Cb -0.28 -2.90 -0.16 0.00 0.02 0.00 0.00 34.50 31.18 1i3k s PRO 205 CO 0.29 -0.52 0.85 -0.91 -0.33 0.00 0.00 177.00 176.38 1i3k h ASN 206 N 2.89 0.00 -3.43 2.53 2.35 -1.92 -3.45 115.58 114.55 1i3k h ASN 206 Ca -0.50 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 54.74 1i3k h ASN 206 Cb 1.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.61 1i3k h ASN 206 CO 0.64 0.74 -0.03 0.54 -1.65 0.00 0.00 177.43 177.67 1i3k s ASN 207 N -6.00 6.49 0.06 5.81 4.22 -1.26 -5.03 114.94 119.24 1i3k s ASN 207 Ca -0.03 0.91 -0.37 0.00 -2.14 0.00 0.00 52.86 51.23 1i3k s ASN 207 Cb 0.08 -2.23 -0.20 0.00 1.28 0.00 0.00 41.25 40.18 1i3k s ASN 207 CO 0.81 -0.27 1.58 0.25 -2.04 0.00 0.00 177.10 177.43 1i3k h LEU 208 N 1.56 -1.10 -0.51 3.54 5.85 -2.00 -3.15 115.31 119.49 1i3k h LEU 208 Ca -0.47 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.38 1i3k h LEU 208 Cb 1.19 0.29 -0.08 0.00 0.37 0.00 0.00 40.66 42.43 1i3k h LEU 208 CO 0.65 -0.78 0.06 0.24 -0.34 0.00 0.00 178.44 178.28 1i3k h MET 209 N -1.28 0.18 -0.11 1.25 2.86 -1.96 0.15 114.93 116.01 1i3k h MET 209 Ca -0.13 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.42 1i3k h MET 209 Cb 0.98 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 1i3k h MET 209 CO 0.20 0.12 -0.30 -1.35 1.06 0.00 0.00 176.91 176.64 1i3k h PRO 210 N 0.18 0.21 -0.28 -0.22 0.11 -1.99 0.99 132.00 131.01 1i3k h PRO 210 Ca 0.26 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 66.24 1i3k h PRO 210 Cb 0.38 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1i3k h PRO 210 CO -0.38 0.50 -0.03 -0.92 -0.21 0.00 0.00 178.00 176.96 1i3k h TYR 211 N 0.19 0.58 0.00 0.65 3.20 -1.08 -0.70 116.97 119.81 1i3k h TYR 211 Ca 0.03 -0.11 0.02 0.00 3.14 0.00 0.00 58.73 61.80 1i3k h TYR 211 Cb 0.63 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1i3k h TYR 211 CO 0.01 0.70 -0.10 0.28 -1.64 0.00 0.00 178.16 177.41 1i3k h VAL 212 N 0.30 0.75 -0.38 1.81 2.07 -0.29 -1.15 116.25 119.36 1i3k h VAL 212 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1i3k h VAL 212 Cb 0.49 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1i3k h VAL 212 CO 0.02 0.00 0.23 0.77 0.02 0.00 0.00 177.57 178.61 1i3k h SER 213 N -0.17 0.45 0.36 0.57 4.64 -0.72 -1.30 113.55 117.38 1i3k h SER 213 Ca 0.04 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.24 1i3k h SER 213 Cb 0.22 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1i3k h SER 213 CO -0.10 0.35 -0.44 1.56 -0.87 0.00 0.00 176.83 177.33 1i3k h GLN 214 N 0.52 0.11 -0.18 4.77 4.20 -0.41 -1.09 115.11 123.03 1i3k h GLN 214 Ca 0.14 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 1i3k h GLN 214 Cb -0.02 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1i3k h GLN 214 CO -0.03 0.53 -0.38 0.28 -0.67 0.00 0.00 178.83 178.57 1i3k h VAL 215 N 0.09 1.34 -0.73 -0.54 2.07 -0.17 0.21 116.25 118.52 1i3k h VAL 215 Ca 0.01 -1.62 0.01 0.00 0.82 0.00 0.00 66.70 65.92 1i3k h VAL 215 Cb 0.82 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 1i3k h VAL 215 CO 0.06 0.50 0.48 0.00 0.02 0.00 0.00 177.57 178.63 1i3k h ALA 216 N 0.58 0.94 0.00 1.67 0.00 -0.98 -1.77 119.26 119.70 1i3k h ALA 216 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1i3k h ALA 216 Cb 0.98 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1i3k h ALA 216 CO 0.08 0.33 0.00 1.51 0.00 0.00 0.00 179.25 181.17 1i3k n ILE 217 N -4.59 0.72 -0.12 0.00 0.13 -0.44 -4.84 119.36 110.23 1i3k n ILE 217 Ca 0.07 0.03 0.00 0.00 -1.10 0.00 0.00 62.75 61.75 1i3k n ILE 217 Cb 0.03 -0.93 0.00 0.00 -0.84 0.00 0.00 39.64 37.91 1i3k n ILE 217 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1i3k n GLY 218 N 0.53 0.94 0.12 4.50 0.00 -0.67 -4.98 105.19 105.63 1i3k n GLY 218 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1i3k n GLY 218 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1i3k h ARG 219 N 3.67 0.00 -6.43 1.61 2.43 -0.81 -3.44 114.38 111.41 1i3k h ARG 219 Ca 0.00 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.53 1i3k h ARG 219 Cb 0.00 0.00 -0.26 0.00 -0.42 0.00 0.00 29.97 29.29 1i3k h ARG 219 CO 0.00 0.67 -0.86 1.03 -1.51 0.00 0.00 179.97 179.30 1i3k s ARG 220 N -3.19 1.62 0.04 0.20 1.81 -0.88 -4.97 118.95 113.59 1i3k s ARG 220 Ca 0.01 -1.02 -0.27 0.00 -1.72 0.00 0.00 55.73 52.73 1i3k s ARG 220 Cb 0.10 -1.76 -0.17 0.00 -0.45 0.00 0.00 34.95 32.67 1i3k s ARG 220 CO 0.76 0.45 1.44 0.93 -0.68 0.00 0.00 175.30 178.20 1i3k h GLU 221 N 4.87 -0.49 -2.91 3.54 4.39 -1.90 -3.39 114.58 118.70 1i3k h GLU 221 Ca -0.44 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.23 1i3k h GLU 221 Cb 1.15 0.11 -0.15 0.00 -0.10 0.00 0.00 28.75 29.76 1i3k h GLU 221 CO 0.44 -0.23 0.02 0.00 -1.16 0.00 0.00 179.01 178.08 1i3k s ALA 222 N -5.42 -1.25 0.09 3.43 0.00 -1.26 -4.59 121.76 112.75 1i3k s ALA 222 Ca -0.15 0.46 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 1i3k s ALA 222 Cb 0.03 0.46 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 1i3k s ALA 222 CO 0.59 -0.54 0.94 -1.17 0.00 0.00 0.00 175.76 175.58 1i3k s LEU 223 N -2.14 4.47 -0.27 0.00 2.96 -0.27 -4.89 118.68 118.54 1i3k s LEU 223 Ca -0.04 1.73 -0.16 0.00 -0.22 0.00 0.00 54.13 55.44 1i3k s LEU 223 Cb -0.00 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 1i3k s LEU 223 CO -0.04 -0.08 0.43 0.20 -1.32 0.00 0.00 176.35 175.54 1i3k s ASN 224 N 0.13 6.33 -0.33 3.68 0.02 -1.26 -0.37 114.94 123.14 1i3k s ASN 224 Ca 0.47 0.39 -0.17 0.00 -1.02 0.00 0.00 52.86 52.53 1i3k s ASN 224 Cb -0.23 -2.24 -0.01 0.00 0.02 0.00 0.00 41.25 38.79 1i3k s ASN 224 CO 0.29 -0.23 0.46 -0.69 0.02 0.00 0.00 177.10 176.95 1i3k s VAL 225 N 2.17 5.07 -1.21 1.60 1.01 0.27 -4.94 120.40 124.38 1i3k s VAL 225 Ca 0.18 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.29 1i3k s VAL 225 Cb -0.16 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1i3k s VAL 225 CO 0.10 -0.12 1.92 0.49 0.00 0.00 0.00 175.10 177.48 1i3k n PHE 226 N 5.59 3.46 0.00 5.22 0.99 -1.26 -0.17 117.46 131.29 1i3k n PHE 226 Ca -0.06 -2.33 0.00 0.00 -0.00 0.00 0.00 57.45 55.06 1i3k n PHE 226 Cb 0.49 -2.46 0.00 0.00 -1.00 0.00 0.00 39.48 36.51 1i3k n PHE 226 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1i3k n GLY 227 N 5.10 -1.42 0.82 1.37 0.00 0.10 -4.27 105.19 106.89 1i3k n GLY 227 Ca 0.49 -1.36 0.04 0.00 0.00 0.00 0.00 46.02 45.18 1i3k n GLY 227 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1i3k n ASN 228 N -0.91 1.04 -0.59 1.61 6.94 -1.25 -4.42 115.26 117.68 1i3k n ASN 228 Ca 0.00 -2.52 0.05 0.00 -0.02 0.00 0.00 54.58 52.09 1i3k n ASN 228 Cb 0.00 -0.33 0.20 0.00 -2.36 0.00 0.00 39.78 37.28 1i3k n ASN 228 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1i3k n ASP 229 N -0.25 2.02 -4.89 0.53 3.85 -0.83 -4.35 116.55 112.63 1i3k n ASP 229 Ca 0.08 -3.70 -0.26 0.00 -0.71 0.00 0.00 54.79 50.19 1i3k n ASP 229 Cb 0.85 -0.53 0.08 0.00 -1.35 0.00 0.00 41.12 40.17 1i3k n ASP 229 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1i3k s TYR 230 N -3.16 2.84 -1.31 2.11 2.02 0.11 -4.94 117.35 115.02 1i3k s TYR 230 Ca 0.38 0.46 -0.07 0.00 -0.37 0.00 0.00 57.07 57.47 1i3k s TYR 230 Cb 0.36 -3.27 0.02 0.00 -0.40 0.00 0.00 41.96 38.66 1i3k s TYR 230 CO -0.04 -1.52 2.70 -0.25 -1.57 0.00 0.00 175.55 174.88 1i3k n ASP 231 N -3.01 8.09 -4.48 2.29 10.43 -1.26 -4.01 116.55 124.60 1i3k n ASP 231 Ca 0.08 -2.89 -0.24 0.00 2.57 0.00 0.00 54.79 54.31 1i3k n ASP 231 Cb 0.60 -1.43 -0.10 0.00 1.84 0.00 0.00 41.12 42.03 1i3k n ASP 231 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1i3k s THR 232 N 0.15 2.14 0.47 -3.53 -4.23 -1.26 -4.99 115.64 104.39 1i3k s THR 232 Ca 0.61 -2.25 0.22 0.00 -1.18 0.00 0.00 61.69 59.09 1i3k s THR 232 Cb 0.20 -2.45 0.40 0.00 1.34 0.00 0.00 72.50 72.00 1i3k s THR 232 CO -0.09 -0.32 1.91 -0.33 -0.54 0.00 0.00 174.62 175.26 1i3k h GLU 233 N 2.20 0.23 -0.09 3.99 5.08 -1.89 -2.45 114.58 121.65 1i3k h GLU 233 Ca -0.41 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1i3k h GLU 233 Cb 1.25 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1i3k h GLU 233 CO 0.66 0.15 0.00 -0.40 -1.00 0.00 0.00 179.01 178.42 1i3k n ASP 234 N -4.42 1.97 0.00 1.42 3.85 -1.26 -4.99 116.55 113.12 1i3k n ASP 234 Ca 0.16 -1.63 0.00 0.00 -0.71 0.00 0.00 54.79 52.61 1i3k n ASP 234 Cb 0.69 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 40.40 1i3k n ASP 234 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1i3k n GLY 235 N 0.15 2.71 3.96 6.12 0.00 -0.92 -4.89 105.19 112.30 1i3k n GLY 235 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1i3k n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i3k s THR 236 N -2.06 5.20 0.44 2.61 -4.23 -1.26 -0.71 115.64 115.62 1i3k s THR 236 Ca 0.00 -0.74 -0.26 0.00 -1.18 0.00 0.00 61.69 59.51 1i3k s THR 236 Cb 0.00 -3.85 -0.09 0.00 1.34 0.00 0.00 72.50 69.90 1i3k s THR 236 CO 0.00 -0.41 1.41 0.61 -0.54 0.00 0.00 174.62 175.69 1i3k n GLY 237 N -1.50 0.94 3.39 3.99 0.00 -1.26 -4.64 105.19 106.12 1i3k n GLY 237 Ca -0.07 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1i3k n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i3k s VAL 238 N -1.19 2.86 0.04 1.61 1.01 -0.12 -1.78 120.40 122.84 1i3k s VAL 238 Ca 0.60 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1i3k s VAL 238 Cb -0.46 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1i3k s VAL 238 CO 0.58 0.56 -0.02 -0.13 0.00 0.00 0.00 175.10 176.09 1i3k s ARG 239 N -0.14 0.55 -0.82 2.72 1.81 -0.42 -1.42 118.95 121.23 1i3k s ARG 239 Ca -0.02 -1.07 -0.18 0.00 -1.72 0.00 0.00 55.73 52.75 1i3k s ARG 239 Cb -0.14 0.19 0.15 0.00 -0.45 0.00 0.00 34.95 34.70 1i3k s ARG 239 CO 0.04 -0.10 0.94 0.34 -0.68 0.00 0.00 175.30 175.83 1i3k s ASP 240 N -2.58 6.55 -0.01 0.23 3.68 -0.92 -0.71 116.67 122.91 1i3k s ASP 240 Ca 0.02 -2.05 -0.30 0.00 2.13 0.00 0.00 52.55 52.35 1i3k s ASP 240 Cb 0.04 -2.33 -0.04 0.00 -1.45 0.00 0.00 42.92 39.14 1i3k s ASP 240 CO -0.08 -0.96 1.09 -0.31 0.13 0.00 0.00 175.17 175.04 1i3k s TYR 241 N 2.07 3.47 -0.04 -5.34 1.51 -1.26 -1.53 117.35 116.23 1i3k s TYR 241 Ca 0.24 1.46 0.04 0.00 -1.01 0.00 0.00 57.07 57.81 1i3k s TYR 241 Cb -0.11 -3.28 -0.00 0.00 -0.11 0.00 0.00 41.96 38.46 1i3k s TYR 241 CO -0.05 -0.69 -0.18 -1.50 -1.11 0.00 0.00 175.55 172.02 1i3k s ILE 242 N 1.44 1.49 0.11 2.71 2.07 0.13 -4.63 121.20 124.53 1i3k s ILE 242 Ca 0.54 -0.75 -0.31 0.00 -1.41 0.00 0.00 60.65 58.72 1i3k s ILE 242 Cb -0.24 -1.28 -0.08 0.00 0.13 0.00 0.00 42.46 40.99 1i3k s ILE 242 CO 0.25 0.43 1.49 -2.28 -1.91 0.00 0.00 174.94 172.92 1i3k s HIS 243 N 0.02 3.00 0.56 3.50 5.65 -1.26 -0.28 115.29 126.49 1i3k s HIS 243 Ca -0.04 0.73 0.27 0.00 0.25 0.00 0.00 55.06 56.27 1i3k s HIS 243 Cb -0.12 -3.80 1.48 0.00 -1.18 0.00 0.00 32.58 28.96 1i3k s HIS 243 CO 0.02 -2.97 1.99 -0.24 -0.65 0.00 0.00 174.74 172.89 1i3k h VAL 244 N 4.35 0.56 -0.36 0.89 3.04 -0.56 -0.21 116.25 123.96 1i3k h VAL 244 Ca -0.42 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.12 1i3k h VAL 244 Cb 1.20 0.72 -0.00 0.00 -2.01 0.00 0.00 31.29 31.19 1i3k h VAL 244 CO 0.90 0.00 -0.38 0.58 -1.01 0.00 0.00 177.57 177.65 1i3k h VAL 245 N 0.00 1.28 -0.38 1.51 2.07 -1.88 0.36 116.25 119.20 1i3k h VAL 245 Ca 0.21 -1.56 -0.09 0.00 0.82 0.00 0.00 66.70 66.09 1i3k h VAL 245 Cb 0.97 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1i3k h VAL 245 CO -0.00 0.52 -0.11 0.44 0.02 0.00 0.00 177.57 178.44 1i3k h ASP 246 N 0.69 0.75 -0.40 0.57 3.32 -1.46 -1.22 116.42 118.67 1i3k h ASP 246 Ca 0.05 -0.37 0.07 0.00 0.02 0.00 0.00 57.03 56.80 1i3k h ASP 246 Cb 0.97 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 40.26 1i3k h ASP 246 CO 0.09 0.95 0.06 0.25 -1.72 0.00 0.00 179.24 178.88 1i3k h LEU 247 N 0.55 -0.03 -0.52 1.55 5.85 -1.12 -0.09 115.31 121.50 1i3k h LEU 247 Ca 0.09 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1i3k h LEU 247 Cb 0.63 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1i3k h LEU 247 CO 0.04 0.02 0.33 0.00 -0.34 0.00 0.00 178.44 178.49 1i3k h ALA 248 N 1.32 0.66 0.00 1.25 0.00 -0.76 -0.71 119.26 121.02 1i3k h ALA 248 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1i3k h ALA 248 Cb 0.25 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1i3k h ALA 248 CO -0.27 0.07 -0.04 0.87 0.00 0.00 0.00 179.25 179.88 1i3k h LYS 249 N 0.67 0.00 0.00 0.00 1.57 -0.49 -1.34 116.57 116.98 1i3k h LYS 249 Ca 0.20 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1i3k h LYS 249 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1i3k h LYS 249 CO -0.06 0.04 -0.13 0.78 -0.57 0.00 0.00 179.45 179.51 1i3k h GLY 250 N 0.13 0.00 2.00 3.86 0.00 0.54 -1.71 103.07 107.89 1i3k h GLY 250 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1i3k h GLY 250 CO 0.01 0.00 -0.56 0.45 0.00 0.00 0.00 176.54 176.43 1i3k h HIS 251 N 0.00 0.00 -0.01 5.60 3.86 -1.09 -0.23 115.15 123.28 1i3k h HIS 251 Ca -0.00 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.97 1i3k h HIS 251 Cb 0.29 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.77 1i3k h HIS 251 CO 0.00 0.56 -0.95 0.82 0.86 0.00 0.00 177.93 179.22 1i3k h ILE 252 N 0.00 1.36 -0.47 2.45 2.04 -1.33 -1.65 117.51 119.90 1i3k h ILE 252 Ca -0.01 -2.35 -0.07 0.00 1.00 0.00 0.00 64.86 63.43 1i3k h ILE 252 Cb 1.03 2.37 -0.02 0.00 -0.74 0.00 0.00 36.82 39.46 1i3k h ILE 252 CO 0.07 0.71 -0.00 0.00 0.00 0.00 0.00 178.15 178.93 1i3k h ALA 253 N 0.65 1.11 -0.76 1.87 0.00 -1.10 -2.17 119.26 118.85 1i3k h ALA 253 Ca -0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1i3k h ALA 253 Cb 1.59 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1i3k h ALA 253 CO 0.17 0.57 0.38 0.00 0.00 0.00 0.00 179.25 180.37 1i3k h ALA 254 N 1.26 1.24 -0.41 0.00 0.00 -0.79 -1.11 119.26 119.45 1i3k h ALA 254 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1i3k h ALA 254 Cb 0.45 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1i3k h ALA 254 CO 0.02 0.60 0.26 -0.07 0.00 0.00 0.00 179.25 180.05 1i3k h LEU 255 N 1.08 0.47 -1.15 0.00 3.38 -0.77 -0.88 115.31 117.44 1i3k h LEU 255 Ca 0.27 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1i3k h LEU 255 Cb 0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1i3k h LEU 255 CO -0.04 0.36 0.18 0.03 0.09 0.00 0.00 178.44 179.06 1i3k h ARG 256 N 0.54 0.78 -0.71 1.13 3.08 -1.04 -2.37 114.38 115.79 1i3k h ARG 256 Ca 0.15 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1i3k h ARG 256 Cb -0.04 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 1i3k h ARG 256 CO -0.03 0.67 0.38 -0.22 -1.07 0.00 0.00 179.97 179.70 1i3k h LYS 257 N 0.76 1.00 -0.83 0.04 1.63 -0.20 -2.17 116.57 116.79 1i3k h LYS 257 Ca 0.18 -0.12 0.09 0.00 -0.85 0.00 0.00 60.65 59.94 1i3k h LYS 257 Cb 0.21 -0.19 -0.06 0.00 -0.60 0.00 0.00 32.23 31.59 1i3k h LYS 257 CO -0.01 0.75 0.54 -0.07 -3.45 0.00 0.00 179.45 177.21 1i3k h LEU 258 N 0.98 0.75 -2.74 5.20 3.38 -0.67 -0.32 115.31 121.88 1i3k h LEU 258 Ca 0.25 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1i3k h LEU 258 Cb 0.05 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1i3k h LEU 258 CO -0.04 0.45 0.03 0.11 0.09 0.00 0.00 178.44 179.08 1i3k h LYS 259 N 0.83 0.00 0.00 1.13 1.79 -1.21 0.10 116.57 119.21 1i3k h LYS 259 Ca 0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 1i3k h LYS 259 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1i3k h LYS 259 CO -0.15 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.61 1i3k n GLU 260 N -3.36 0.47 -3.22 3.15 1.02 -0.13 -4.87 120.64 113.69 1i3k n GLU 260 Ca -0.03 0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 1i3k n GLU 260 Cb 0.10 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.10 1i3k n GLU 260 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1i3k n GLN 261 N -1.24 -5.52 0.00 3.49 1.13 0.02 -4.93 117.38 110.33 1i3k n GLN 261 Ca 0.14 0.73 0.10 0.00 -1.94 0.00 0.00 57.00 56.04 1i3k n GLN 261 Cb 0.20 -5.39 0.45 0.00 0.11 0.00 0.00 30.24 25.61 1i3k n GLN 261 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i3k n GLY 263 N 0.70 0.15 3.64 0.00 0.00 -1.25 -4.61 105.19 103.81 1i3k n GLY 263 Ca 0.05 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 1i3k n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3k s ARG 265 N 2.10 1.01 -0.06 0.00 1.81 0.08 -4.96 118.95 118.93 1i3k s ARG 265 Ca 0.25 -0.86 0.02 0.00 -1.72 0.00 0.00 55.73 53.42 1i3k s ARG 265 Cb -0.16 -1.06 0.01 0.00 -0.45 0.00 0.00 34.95 33.29 1i3k s ARG 265 CO 0.09 0.26 -0.12 0.42 -0.68 0.00 0.00 175.30 175.28 1i3k s ILE 266 N -0.94 1.07 0.00 1.52 1.01 -1.26 -0.38 121.20 122.23 1i3k s ILE 266 Ca 0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 1i3k s ILE 266 Cb -0.09 -0.98 -0.00 0.00 0.01 0.00 0.00 42.46 41.40 1i3k s ILE 266 CO 0.02 0.34 0.01 -0.31 0.00 0.00 0.00 174.94 174.99 1i3k s TYR 267 N 0.60 0.06 0.35 3.97 1.51 0.07 -4.96 117.35 118.95 1i3k s TYR 267 Ca -0.13 -0.12 -0.25 0.00 -1.01 0.00 0.00 57.07 55.57 1i3k s TYR 267 Cb -0.15 -0.05 -0.10 0.00 -0.11 0.00 0.00 41.96 41.55 1i3k s TYR 267 CO 0.03 -0.06 0.95 -0.80 -1.11 0.00 0.00 175.55 174.55 1i3k s ASN 268 N -0.42 7.23 -0.44 2.29 0.01 -1.26 -0.31 114.94 122.04 1i3k s ASN 268 Ca -0.05 1.79 0.03 0.00 -0.71 0.00 0.00 52.86 53.93 1i3k s ASN 268 Cb -0.03 -2.57 0.12 0.00 0.41 0.00 0.00 41.25 39.18 1i3k s ASN 268 CO -0.00 -0.15 0.18 -0.76 -1.51 0.00 0.00 177.10 174.86 1i3k s LEU 269 N -2.36 4.07 0.30 0.60 1.43 0.13 -4.68 118.68 118.17 1i3k s LEU 269 Ca 0.53 -2.61 -0.07 0.00 -1.03 0.00 0.00 54.13 50.96 1i3k s LEU 269 Cb -0.16 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1i3k s LEU 269 CO 0.21 -0.29 0.47 -0.83 0.23 0.00 0.00 176.35 176.13 1i3k s GLY 270 N 0.29 1.10 0.02 -3.19 0.00 -1.26 -2.01 107.32 102.26 1i3k s GLY 270 Ca 0.15 -1.27 0.19 0.00 0.00 0.00 0.00 44.72 43.79 1i3k s GLY 270 CO -0.04 -0.86 0.64 -1.30 0.00 0.00 0.00 173.10 171.54 1i3k n THR 271 N -0.48 0.84 -0.22 0.90 -2.24 -1.26 -4.56 114.28 107.26 1i3k n THR 271 Ca -0.00 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1i3k n THR 271 Cb 0.62 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1i3k n THR 271 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i3k n GLY 272 N 1.39 0.73 3.34 3.38 0.00 -1.25 -4.86 105.19 107.92 1i3k n GLY 272 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1i3k n GLY 272 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i3k s THR 273 N -2.52 3.14 0.01 2.61 2.01 -1.26 -4.76 115.64 114.86 1i3k s THR 273 Ca 0.00 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 1i3k s THR 273 Cb 0.00 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1i3k s THR 273 CO 0.00 0.49 0.17 -0.83 -0.69 0.00 0.00 174.62 173.77 1i3k s GLY 274 N 0.78 2.16 0.03 4.40 0.00 -1.26 -4.17 107.32 109.25 1i3k s GLY 274 Ca -0.04 -0.80 0.04 0.00 0.00 0.00 0.00 44.72 43.92 1i3k s GLY 274 CO 0.01 -0.71 -0.12 -0.19 0.00 0.00 0.00 173.10 172.09 1i3k s TYR 275 N -1.35 1.07 0.65 1.90 2.02 0.11 -4.86 117.35 116.90 1i3k s TYR 275 Ca 0.29 -0.32 -0.07 0.00 -0.37 0.00 0.00 57.07 56.60 1i3k s TYR 275 Cb -0.13 -0.65 0.03 0.00 -0.40 0.00 0.00 41.96 40.82 1i3k s TYR 275 CO 0.20 0.01 0.97 -1.54 -1.57 0.00 0.00 175.55 173.62 1i3k s SER 276 N -0.97 5.21 0.17 2.29 1.04 -1.26 -1.30 113.70 118.88 1i3k s SER 276 Ca 0.01 0.62 -0.16 0.00 0.48 0.00 0.00 55.95 56.90 1i3k s SER 276 Cb -0.07 -1.44 0.10 0.00 0.10 0.00 0.00 66.02 64.72 1i3k s SER 276 CO 0.01 -1.34 1.70 0.58 0.98 0.00 0.00 173.24 175.17 1i3k h VAL 277 N -0.41 0.70 -0.55 5.02 2.07 -1.61 -0.81 116.25 120.65 1i3k h VAL 277 Ca -0.45 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1i3k h VAL 277 Cb 1.28 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1i3k h VAL 277 CO 0.61 0.02 0.15 -0.07 0.02 0.00 0.00 177.57 178.30 1i3k h LEU 278 N 0.10 0.78 -0.86 2.57 3.38 -1.94 -1.26 115.31 118.08 1i3k h LEU 278 Ca 0.19 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1i3k h LEU 278 Cb 0.27 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1i3k h LEU 278 CO -0.33 0.75 0.06 1.56 0.09 0.00 0.00 178.44 180.57 1i3k h GLN 279 N 0.81 0.90 -0.54 1.13 4.20 -1.73 -0.88 115.11 119.01 1i3k h GLN 279 Ca 0.18 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1i3k h GLN 279 Cb 0.27 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1i3k h GLN 279 CO -0.01 0.86 0.01 0.52 -0.67 0.00 0.00 178.83 179.55 1i3k h MET 280 N 0.85 0.95 -0.32 1.46 2.86 -0.60 -0.71 114.93 119.42 1i3k h MET 280 Ca 0.17 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1i3k h MET 280 Cb 0.42 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1i3k h MET 280 CO 0.01 0.96 0.19 0.28 1.06 0.00 0.00 176.91 179.41 1i3k h VAL 281 N 0.83 1.12 -0.45 -2.22 2.07 -0.93 -0.59 116.25 116.08 1i3k h VAL 281 Ca 0.15 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1i3k h VAL 281 Cb 0.52 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1i3k h VAL 281 CO 0.03 0.12 0.23 -0.61 0.02 0.00 0.00 177.57 177.35 1i3k h GLN 282 N 0.40 0.64 -0.19 1.57 4.15 -0.98 -0.27 115.11 120.43 1i3k h GLN 282 Ca 0.11 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 1i3k h GLN 282 Cb 0.02 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1i3k h GLN 282 CO -0.02 0.54 0.01 0.00 -1.93 0.00 0.00 178.83 177.42 1i3k h ALA 283 N 1.07 1.66 -0.01 3.38 0.00 -0.86 -1.12 119.26 123.37 1i3k h ALA 283 Ca 0.16 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1i3k h ALA 283 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1i3k h ALA 283 CO -0.02 0.26 -0.67 0.52 0.00 0.00 0.00 179.25 179.34 1i3k h MET 284 N 0.27 0.05 -0.50 0.00 2.86 -0.40 -0.10 114.93 117.12 1i3k h MET 284 Ca 0.07 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.55 1i3k h MET 284 Cb 0.18 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1i3k h MET 284 CO 0.00 0.70 -0.16 0.93 1.06 0.00 0.00 176.91 179.44 1i3k h GLU 285 N 0.03 0.98 -0.11 1.72 5.08 0.05 0.04 114.58 122.38 1i3k h GLU 285 Ca -0.01 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1i3k h GLU 285 Cb 1.18 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1i3k h GLU 285 CO 0.09 1.07 0.03 0.87 -1.00 0.00 0.00 179.01 180.07 1i3k h LYS 286 N 0.84 0.18 -0.46 2.33 1.57 -1.02 0.50 116.57 120.51 1i3k h LYS 286 Ca 0.12 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1i3k h LYS 286 Cb 0.73 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1i3k h LYS 286 CO 0.06 0.35 0.22 0.00 -0.57 0.00 0.00 179.45 179.50 1i3k h ALA 287 N 0.82 0.60 0.00 3.86 0.00 -0.89 -3.29 119.26 120.36 1i3k h ALA 287 Ca 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1i3k h ALA 287 Cb 0.25 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1i3k h ALA 287 CO 0.00 0.16 -0.67 0.66 0.00 0.00 0.00 179.25 179.40 1i3k h SER 288 N 0.60 0.00 -0.08 0.00 4.64 -0.94 -3.48 113.55 114.30 1i3k h SER 288 Ca 0.16 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.45 1i3k h SER 288 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1i3k h SER 288 CO -0.02 0.09 -0.03 0.61 -0.87 0.00 0.00 176.83 176.61 1i3k n GLY 289 N 1.18 0.47 3.65 -0.77 0.00 0.16 -5.00 105.19 104.88 1i3k n GLY 289 Ca 0.01 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 1i3k n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i3k s LYS 290 N -1.10 2.27 0.11 1.61 -0.14 -1.24 -5.07 119.74 116.17 1i3k s LYS 290 Ca 0.00 -1.47 -0.11 0.00 -1.36 0.00 0.00 55.97 53.03 1i3k s LYS 290 Cb 0.00 -2.13 -0.06 0.00 -1.68 0.00 0.00 37.83 33.95 1i3k s LYS 290 CO 0.00 0.32 0.45 0.15 -0.76 0.00 0.00 175.35 175.51 1i3k s LYS 291 N -3.69 3.83 -0.49 1.68 1.02 -1.26 -4.51 119.74 116.31 1i3k s LYS 291 Ca 0.32 0.27 0.03 0.00 0.02 0.00 0.00 55.97 56.62 1i3k s LYS 291 Cb -0.05 -2.96 0.14 0.00 -0.52 0.00 0.00 37.83 34.44 1i3k s LYS 291 CO 0.20 0.52 0.29 0.42 -0.92 0.00 0.00 175.35 175.86 1i3k s ILE 292 N -1.44 1.70 0.65 2.17 1.01 -1.26 -4.61 121.20 119.42 1i3k s ILE 292 Ca 0.35 -2.94 -0.17 0.00 0.00 0.00 0.00 60.65 57.89 1i3k s ILE 292 Cb -0.14 -2.17 -0.00 0.00 0.01 0.00 0.00 42.46 40.16 1i3k s ILE 292 CO 0.19 -0.93 1.21 -2.84 0.00 0.00 0.00 174.94 172.56 1i3k s PRO 293 N -0.05 2.63 0.05 2.79 0.02 -1.26 -4.86 135.00 134.32 1i3k s PRO 293 Ca 0.20 1.80 -0.09 0.00 0.02 0.00 0.00 61.00 62.92 1i3k s PRO 293 Cb -0.19 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.45 1i3k s PRO 293 CO -0.04 -1.47 0.20 1.52 -0.33 0.00 0.00 177.00 176.88 1i3k s TYR 294 N -1.76 0.07 -0.03 6.54 1.13 -1.26 -1.12 117.35 120.92 1i3k s TYR 294 Ca 0.76 -0.33 0.02 0.00 -1.41 0.00 0.00 57.07 56.11 1i3k s TYR 294 Cb -0.30 -0.03 0.01 0.00 -1.10 0.00 0.00 41.96 40.54 1i3k s TYR 294 CO 0.39 -0.46 -0.07 0.15 -2.51 0.00 0.00 175.55 173.05 1i3k s LYS 295 N -2.86 0.83 -0.16 -3.49 1.02 0.50 -4.89 119.74 110.68 1i3k s LYS 295 Ca -0.03 -0.22 -0.23 0.00 0.02 0.00 0.00 55.97 55.52 1i3k s LYS 295 Cb 0.00 -0.80 -0.02 0.00 -0.52 0.00 0.00 37.83 36.49 1i3k s LYS 295 CO -0.05 0.05 0.71 0.08 -0.92 0.00 0.00 175.35 175.21 1i3k s VAL 296 N 0.39 4.98 0.22 3.17 1.01 -1.26 -0.56 120.40 128.34 1i3k s VAL 296 Ca -0.05 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.31 1i3k s VAL 296 Cb -0.10 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 1i3k s VAL 296 CO 0.00 0.11 0.00 1.33 0.00 0.00 0.00 175.10 176.55 1i3k n VAL 297 N 4.53 0.00 -1.16 2.92 0.24 0.76 -4.92 118.33 120.69 1i3k n VAL 297 Ca 0.01 -1.05 -0.32 0.00 -2.04 0.00 0.00 64.34 60.93 1i3k n VAL 297 Cb 0.50 0.22 0.11 0.00 -1.47 0.00 0.00 33.84 33.19 1i3k n VAL 297 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i3k s ALA 298 N -2.39 1.99 0.61 2.33 0.00 -1.26 -0.72 121.76 122.32 1i3k s ALA 298 Ca 0.00 0.54 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 1i3k s ALA 298 Cb 0.00 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1i3k s ALA 298 CO 0.00 -2.07 1.26 1.03 0.00 0.00 0.00 175.76 175.99 1i3k s ARG 299 N -4.52 2.80 0.06 0.00 0.52 -1.26 -3.20 118.95 113.35 1i3k s ARG 299 Ca 0.66 1.98 -0.19 0.00 -0.52 0.00 0.00 55.73 57.67 1i3k s ARG 299 Cb -0.22 -1.93 -0.06 0.00 0.52 0.00 0.00 34.95 33.26 1i3k s ARG 299 CO 0.53 -1.38 0.55 0.50 0.02 0.00 0.00 175.30 175.52 1i3k s ARG 300 N -3.30 4.18 -0.19 3.54 3.52 -1.26 -4.89 118.95 120.55 1i3k s ARG 300 Ca 0.79 0.70 -0.41 0.00 -0.13 0.00 0.00 55.73 56.69 1i3k s ARG 300 Cb -0.35 -3.24 -0.17 0.00 -1.56 0.00 0.00 34.95 29.62 1i3k s ARG 300 CO 0.38 0.62 1.51 0.39 -0.81 0.00 0.00 175.30 177.39 1i3k n GLU 301 N 1.81 0.75 -1.28 5.12 -0.58 -1.26 -1.27 120.64 123.93 1i3k n GLU 301 Ca -0.10 0.27 -0.10 0.00 -0.42 0.00 0.00 57.16 56.81 1i3k n GLU 301 Cb 0.51 -1.88 -0.04 0.00 -0.57 0.00 0.00 31.44 29.45 1i3k n GLU 301 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i3k n GLY 302 N 3.33 1.06 3.78 0.62 0.00 -1.26 -5.00 105.19 107.72 1i3k n GLY 302 Ca 0.24 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1i3k n GLY 302 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i3k s ASP 303 N -2.58 7.16 0.18 1.61 1.01 -0.39 -5.05 116.67 118.60 1i3k s ASP 303 Ca 0.00 1.94 -0.07 0.00 0.71 0.00 0.00 52.55 55.13 1i3k s ASP 303 Cb 0.00 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.28 1i3k s ASP 303 CO 0.00 -0.20 0.45 -0.69 0.21 0.00 0.00 175.17 174.94 1i3k s VAL 304 N -1.59 5.06 0.03 -1.27 1.01 -1.26 -5.00 120.40 117.38 1i3k s VAL 304 Ca 0.52 0.21 -0.25 0.00 0.00 0.00 0.00 61.98 62.47 1i3k s VAL 304 Cb -0.21 -3.62 -0.18 0.00 0.00 0.00 0.00 36.38 32.37 1i3k s VAL 304 CO 0.26 -0.02 1.47 0.00 0.00 0.00 0.00 175.10 176.81 1i3k h ALA 305 N 2.66 -0.03 -2.93 5.51 0.00 -1.97 -3.44 119.26 119.06 1i3k h ALA 305 Ca -0.46 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.17 1i3k h ALA 305 Cb 1.17 0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 1i3k h ALA 305 CO 0.71 -0.39 -0.35 0.00 0.00 0.00 0.00 179.25 179.23 1i3k s ALA 306 N -5.13 -0.77 -0.13 0.00 0.00 -1.26 -0.94 121.76 113.54 1i3k s ALA 306 Ca -0.15 0.81 -0.06 0.00 0.00 0.00 0.00 51.96 52.57 1i3k s ALA 306 Cb 0.04 -0.45 0.06 0.00 0.00 0.00 0.00 23.12 22.76 1i3k s ALA 306 CO 0.66 -0.16 0.28 0.00 0.00 0.00 0.00 175.76 176.54 1i3k s TYR 308 N 1.87 -0.36 0.31 0.00 -0.85 -1.26 -2.17 117.35 114.89 1i3k s TYR 308 Ca -0.04 0.29 0.00 0.00 -0.52 0.00 0.00 57.07 56.80 1i3k s TYR 308 Cb -0.11 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 1i3k s TYR 308 CO -0.09 -0.66 0.50 0.00 -1.52 0.00 0.00 175.55 173.78 1i3k s ALA 309 N -2.84 3.74 -0.44 9.51 0.00 -1.26 -1.18 121.76 129.28 1i3k s ALA 309 Ca -0.03 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 50.89 1i3k s ALA 309 Cb -0.00 -2.07 0.06 0.00 0.00 0.00 0.00 23.12 21.11 1i3k s ALA 309 CO -0.05 0.11 0.34 1.21 0.00 0.00 0.00 175.76 177.37 1i3k s ASN 310 N -3.80 6.03 0.00 0.00 3.04 0.24 -3.93 114.94 116.52 1i3k s ASN 310 Ca 0.39 -1.22 0.13 0.00 0.04 0.00 0.00 52.86 52.21 1i3k s ASN 310 Cb -0.10 -2.14 0.49 0.00 -1.54 0.00 0.00 41.25 37.97 1i3k s ASN 310 CO 0.33 -0.56 1.36 -0.81 -3.04 0.00 0.00 177.10 174.39 1i3k n PRO 311 N 5.13 1.55 0.07 0.43 -0.04 -1.26 -4.47 135.00 136.41 1i3k n PRO 311 Ca -0.12 -0.84 -0.12 0.00 -0.04 0.00 0.00 63.50 62.38 1i3k n PRO 311 Cb 0.45 -1.27 -0.06 0.00 -0.04 0.00 0.00 33.50 32.58 1i3k n PRO 311 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1i3k h SER 312 N 1.50 -0.18 -0.64 3.54 0.02 -1.96 -2.56 113.55 113.27 1i3k h SER 312 Ca 0.00 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1i3k h SER 312 Cb 0.34 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 1i3k h SER 312 CO 0.00 -0.10 0.38 0.25 -1.14 0.00 0.00 176.83 176.22 1i3k h LEU 313 N -0.14 0.61 -1.03 5.07 5.85 -1.97 -0.76 115.31 122.93 1i3k h LEU 313 Ca 0.01 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1i3k h LEU 313 Cb 0.15 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1i3k h LEU 313 CO -0.03 0.42 0.42 0.00 -0.34 0.00 0.00 178.44 178.90 1i3k h ALA 314 N 1.29 1.26 -0.28 1.25 0.00 -1.82 0.15 119.26 121.11 1i3k h ALA 314 Ca 0.26 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1i3k h ALA 314 Cb 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1i3k h ALA 314 CO -0.12 0.60 0.06 0.37 0.00 0.00 0.00 179.25 180.15 1i3k h GLN 315 N 1.10 0.46 0.19 0.00 4.15 -0.96 -1.17 115.11 118.89 1i3k h GLN 315 Ca 0.28 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1i3k h GLN 315 Cb 0.04 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1i3k h GLN 315 CO -0.04 0.56 -0.09 1.49 -1.93 0.00 0.00 178.83 178.82 1i3k h GLU 316 N 0.29 -0.25 0.06 1.69 4.57 -0.76 -2.40 114.58 117.78 1i3k h GLU 316 Ca 0.09 0.02 -0.28 0.00 -1.18 0.00 0.00 59.36 58.00 1i3k h GLU 316 Cb 0.32 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 1i3k h GLU 316 CO 0.00 0.03 -1.53 0.93 -1.18 0.00 0.00 179.01 177.26 1i3k h GLU 317 N -0.52 0.13 0.00 1.92 5.08 -0.81 -3.37 114.58 117.02 1i3k h GLU 317 Ca -0.03 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1i3k h GLU 317 Cb 0.39 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1i3k h GLU 317 CO 0.04 1.11 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.89 1i3k h LEU 318 N -0.51 0.00 0.68 1.33 3.38 -1.42 -3.48 115.31 115.30 1i3k h LEU 318 Ca -0.36 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.41 1i3k h LEU 318 Cb 1.63 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.34 1i3k h LEU 318 CO -0.06 0.01 -0.17 0.61 0.09 0.00 0.00 178.44 178.92 1i3k n GLY 319 N 1.21 0.64 3.25 0.83 0.00 -0.54 -4.88 105.19 105.70 1i3k n GLY 319 Ca 0.04 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 1i3k n GLY 319 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1i3k s TRP 320 N -2.34 1.72 0.01 1.61 -0.00 -0.93 -4.96 118.94 114.04 1i3k s TRP 320 Ca 0.00 -0.39 -0.07 0.00 -0.00 0.00 0.00 56.10 55.64 1i3k s TRP 320 Cb 0.00 -1.00 -0.00 0.00 -0.00 0.00 0.00 33.47 32.47 1i3k s TRP 320 CO 0.00 0.12 0.13 0.95 -0.00 0.00 0.00 176.95 178.15 1i3k s THR 321 N -0.93 0.09 0.04 5.86 -4.23 -1.26 -2.83 115.64 112.39 1i3k s THR 321 Ca 0.06 -0.76 -0.30 0.00 -1.18 0.00 0.00 61.69 59.51 1i3k s THR 321 Cb -0.09 -0.52 -0.05 0.00 1.34 0.00 0.00 72.50 73.18 1i3k s THR 321 CO 0.02 -0.42 1.12 0.00 -0.54 0.00 0.00 174.62 174.81 1i3k s ALA 322 N -1.62 3.31 -0.05 3.99 0.00 -1.26 -4.93 121.76 121.19 1i3k s ALA 322 Ca -0.13 0.74 0.22 0.00 0.00 0.00 0.00 51.96 52.78 1i3k s ALA 322 Cb -0.06 -3.41 -0.31 0.00 0.00 0.00 0.00 23.12 19.34 1i3k s ALA 322 CO 0.00 -0.36 0.50 0.00 0.00 0.00 0.00 175.76 175.90 1i3k n ALA 323 N 3.93 2.73 -2.70 0.00 0.00 -1.26 -4.95 120.51 118.26 1i3k n ALA 323 Ca 0.08 -0.54 -0.37 0.00 0.00 0.00 0.00 53.44 52.61 1i3k n ALA 323 Cb 0.48 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 19.12 1i3k n ALA 323 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i3k s LEU 324 N -4.63 4.30 0.00 0.00 1.43 -1.26 -5.07 118.68 113.46 1i3k s LEU 324 Ca -0.08 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 53.66 1i3k s LEU 324 Cb 0.13 -2.42 0.06 0.00 0.03 0.00 0.00 46.19 43.99 1i3k s LEU 324 CO 0.90 0.16 0.44 0.61 0.23 0.00 0.00 176.35 178.69 1i3k n GLY 325 N 2.95 1.07 0.25 -3.19 0.00 -1.26 -4.66 105.19 100.35 1i3k n GLY 325 Ca -0.12 -2.04 -0.05 0.00 0.00 0.00 0.00 46.02 43.80 1i3k n GLY 325 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i3k h LEU 326 N 0.00 -0.67 -0.67 0.99 5.85 -1.97 -0.17 115.31 118.66 1i3k h LEU 326 Ca -0.15 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1i3k h LEU 326 Cb 0.58 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1i3k h LEU 326 CO 0.17 -0.23 0.41 0.44 -0.34 0.00 0.00 178.44 178.90 1i3k h ASP 327 N -0.12 0.67 -0.50 1.25 3.32 -1.95 0.03 116.42 119.11 1i3k h ASP 327 Ca 0.20 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 1i3k h ASP 327 Cb 0.43 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1i3k h ASP 327 CO -0.48 0.46 0.16 -0.09 -1.72 0.00 0.00 179.24 177.57 1i3k h ARG 328 N 0.80 0.77 -0.36 3.56 9.65 -1.81 0.34 114.38 127.34 1i3k h ARG 328 Ca 0.28 -0.16 0.02 0.00 -1.10 0.00 0.00 59.98 59.02 1i3k h ARG 328 Cb 0.05 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 1i3k h ARG 328 CO -0.12 0.72 0.19 0.52 2.80 0.00 0.00 179.97 184.08 1i3k h MET 329 N 0.68 0.37 -0.41 0.20 2.86 -0.49 0.77 114.93 118.92 1i3k h MET 329 Ca 0.16 -0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.63 1i3k h MET 329 Cb 0.26 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1i3k h MET 329 CO -0.01 0.25 -0.31 0.00 1.06 0.00 0.00 176.91 177.90 1i3k h GLU 331 N 0.77 0.48 -0.35 0.00 4.81 -0.02 0.41 114.58 120.68 1i3k h GLU 331 Ca 0.08 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.15 1i3k h GLU 331 Cb 0.89 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1i3k h GLU 331 CO 0.08 0.33 -0.32 -0.44 -0.73 0.00 0.00 179.01 177.93 1i3k h ASP 332 N 0.48 0.79 -0.27 1.04 3.32 -0.76 -1.40 116.42 119.61 1i3k h ASP 332 Ca 0.13 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 1i3k h ASP 332 Cb -0.04 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1i3k h ASP 332 CO -0.03 1.04 0.02 0.25 -1.72 0.00 0.00 179.24 178.80 1i3k h LEU 333 N 0.64 0.45 -0.55 1.55 5.85 -0.92 -2.56 115.31 119.77 1i3k h LEU 333 Ca 0.07 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.52 1i3k h LEU 333 Cb 0.85 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1i3k h LEU 333 CO 0.07 0.63 0.34 -0.25 -0.34 0.00 0.00 178.44 178.89 1i3k h TRP 334 N 0.26 0.63 -0.44 1.25 2.91 -0.79 -1.37 115.95 118.40 1i3k h TRP 334 Ca 0.08 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.17 1i3k h TRP 334 Cb 0.39 -0.21 -0.05 0.00 -0.51 0.00 0.00 29.16 28.78 1i3k h TRP 334 CO 0.03 0.37 0.16 -0.09 -1.03 0.00 0.00 178.44 177.88 1i3k h ARG 335 N 0.68 0.32 0.04 2.65 2.43 -1.18 0.27 114.38 119.58 1i3k h ARG 335 Ca 0.22 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1i3k h ARG 335 Cb -0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1i3k h ARG 335 CO -0.08 0.21 -0.02 2.35 -1.51 0.00 0.00 179.97 180.92 1i3k h TRP 336 N 0.33 -0.05 -0.56 2.20 2.91 -1.14 -0.21 115.95 119.44 1i3k h TRP 336 Ca 0.21 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.20 1i3k h TRP 336 Cb 0.20 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.84 1i3k h TRP 336 CO -0.15 0.00 0.25 0.37 -1.03 0.00 0.00 178.44 177.88 1i3k h GLN 337 N -0.08 0.81 -0.41 2.65 5.75 -0.81 -0.75 115.11 122.27 1i3k h GLN 337 Ca -0.01 -0.13 -0.11 0.00 -0.15 0.00 0.00 58.65 58.26 1i3k h GLN 337 Cb 0.07 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 1i3k h GLN 337 CO 0.01 0.67 -0.16 -0.22 -2.65 0.00 0.00 178.83 176.48 1i3k h LYS 338 N 0.75 0.83 0.00 1.69 3.64 -0.40 -2.78 116.57 120.31 1i3k h LYS 338 Ca 0.19 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1i3k h LYS 338 Cb 0.14 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1i3k h LYS 338 CO -0.02 0.98 0.00 1.96 -2.27 0.00 0.00 179.45 180.10 1i3k h GLN 339 N 0.65 0.00 -2.19 1.90 4.20 -0.99 -3.36 115.11 115.32 1i3k h GLN 339 Ca 0.10 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.23 1i3k h GLN 339 Cb 0.71 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.10 1i3k h GLN 339 CO 0.05 0.00 -1.00 0.09 -0.67 0.00 0.00 178.83 177.31 1i3k n ASN 340 N -2.93 0.40 0.18 1.46 3.02 -0.29 -4.97 115.26 112.13 1i3k n ASN 340 Ca 0.03 -2.68 0.18 0.00 -0.03 0.00 0.00 54.58 52.09 1i3k n ASN 340 Cb 0.44 -0.62 0.81 0.00 -0.61 0.00 0.00 39.78 39.80 1i3k n ASN 340 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1i3k h PRO 341 N 4.62 0.00 -0.14 3.52 0.11 -1.66 -1.02 132.00 137.43 1i3k h PRO 341 Ca 0.15 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 1i3k h PRO 341 Cb 0.86 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.94 1i3k h PRO 341 CO 0.48 0.00 -0.25 -1.13 -0.21 0.00 0.00 178.00 176.88 1i3k n SER 342 N -3.71 2.21 0.00 -2.05 3.41 -1.26 -5.06 113.62 107.16 1i3k n SER 342 Ca 0.03 -3.70 0.00 0.00 -0.26 0.00 0.00 58.87 54.94 1i3k n SER 342 Cb 0.42 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1i3k n SER 342 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i3k n GLY 343 N -1.12 0.43 0.23 5.00 0.00 -0.39 -3.15 105.19 106.18 1i3k n GLY 343 Ca 0.24 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.52 1i3k n GLY 343 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1i3k h PHE 344 N 0.00 0.00 0.00 1.61 0.04 -1.94 -3.46 116.94 113.20 1i3k h PHE 344 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1i3k h PHE 344 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1i3k h PHE 344 CO 0.00 0.20 0.00 0.41 -0.60 0.00 0.00 178.31 178.32 1i3k n GLY 345 N 0.21 -1.41 0.00 -1.45 0.00 -1.19 -5.06 105.19 96.29 1i3k n GLY 345 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1i3k n GLY 345 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73