#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5o n THR 2 N 0.00 -8.98 -1.65 1.12 -1.04 -1.26 -4.85 114.28 97.63 1i5o n THR 2 Ca 0.00 2.35 -0.43 0.00 -2.04 0.00 0.00 64.05 63.94 1i5o n THR 2 Cb 0.00 -4.14 -0.03 0.00 -1.82 0.00 0.00 70.33 64.34 1i5o n THR 2 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1i5o s HIS 3 N -0.70 1.23 -0.38 -1.42 0.09 -1.26 -4.77 115.29 108.08 1i5o s HIS 3 Ca 0.00 0.42 0.12 0.00 -0.00 0.00 0.00 55.06 55.60 1i5o s HIS 3 Cb 0.00 -3.98 0.39 0.00 -0.00 0.00 0.00 32.58 28.99 1i5o s HIS 3 CO 0.00 -4.20 1.05 -0.25 -0.00 0.00 0.00 174.74 171.35 1i5o n ASP 4 N 11.05 -0.30 0.00 1.40 9.92 -1.22 -3.42 116.55 133.98 1i5o n ASP 4 Ca 0.28 -2.87 0.00 0.00 -0.53 0.00 0.00 54.79 51.67 1i5o n ASP 4 Cb 0.45 0.32 0.00 0.00 -0.64 0.00 0.00 41.12 41.25 1i5o n ASP 4 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1i5o n ASN 5 N -0.07 0.00 -0.09 -2.24 5.15 -1.26 -4.62 115.26 112.12 1i5o n ASN 5 Ca 0.08 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.94 1i5o n ASN 5 Cb 0.78 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.98 1i5o n ASN 5 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1i5o h LYS 6 N 0.00 0.52 -0.09 1.20 6.56 -2.03 -3.44 116.57 119.29 1i5o h LYS 6 Ca 0.00 -0.21 0.24 0.00 -1.06 0.00 0.00 60.65 59.62 1i5o h LYS 6 Cb 0.00 -0.02 -0.18 0.00 -0.57 0.00 0.00 32.23 31.46 1i5o h LYS 6 CO 0.00 0.75 0.04 -1.17 -2.06 0.00 0.00 179.45 177.01 1i5o s LEU 7 N -9.28 -0.14 -0.29 2.94 0.20 -1.26 -5.17 118.68 105.68 1i5o s LEU 7 Ca -0.13 -0.00 -0.16 0.00 0.69 0.00 0.00 54.13 54.52 1i5o s LEU 7 Cb 0.08 0.88 0.12 0.00 -0.43 0.00 0.00 46.19 46.84 1i5o s LEU 7 CO 0.77 -0.02 0.88 -1.58 -0.29 0.00 0.00 176.35 176.11 1i5o s GLN 8 N 2.75 0.49 0.52 1.98 0.74 -1.26 -5.08 119.66 119.80 1i5o s GLN 8 Ca 0.28 0.84 -0.07 0.00 0.05 0.00 0.00 55.36 56.46 1i5o s GLN 8 Cb 0.01 0.10 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 1i5o s GLN 8 CO -0.21 -0.10 0.85 0.08 -0.55 0.00 0.00 175.29 175.36 1i5o s VAL 9 N 1.40 4.86 0.00 1.34 1.01 -1.26 -3.45 120.40 124.29 1i5o s VAL 9 Ca -0.09 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1i5o s VAL 9 Cb -0.04 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1i5o s VAL 9 CO -0.16 -0.93 0.00 -0.62 0.00 0.00 0.00 175.10 173.39 1i5o n GLU 10 N -2.39 0.00 -3.91 2.72 -0.58 -1.22 -4.93 120.64 110.33 1i5o n GLU 10 Ca 0.02 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.41 1i5o n GLU 10 Cb 0.55 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.36 1i5o n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1i5o s ALA 11 N 0.00 3.89 0.29 0.62 0.00 -1.26 -4.28 121.76 121.02 1i5o s ALA 11 Ca 0.00 -0.70 -0.14 0.00 0.00 0.00 0.00 51.96 51.12 1i5o s ALA 11 Cb 0.00 -1.91 -0.08 0.00 0.00 0.00 0.00 23.12 21.12 1i5o s ALA 11 CO 0.00 0.68 0.69 -1.50 0.00 0.00 0.00 175.76 175.62 1i5o s ILE 12 N -1.16 4.73 0.01 0.00 1.10 -1.26 -5.01 121.20 119.61 1i5o s ILE 12 Ca 0.20 0.88 -0.25 0.00 -0.51 0.00 0.00 60.65 60.97 1i5o s ILE 12 Cb -0.12 -3.64 -0.17 0.00 0.15 0.00 0.00 42.46 38.68 1i5o s ILE 12 CO 0.10 -0.10 1.24 0.11 -2.11 0.00 0.00 174.94 174.18 1i5o h LYS 13 N 2.49 -0.40 -3.76 3.50 1.57 -1.97 -3.37 116.57 114.62 1i5o h LYS 13 Ca -0.48 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.25 1i5o h LYS 13 Cb 1.18 0.09 -0.13 0.00 0.08 0.00 0.00 32.23 33.45 1i5o h LYS 13 CO 0.66 -0.08 -0.27 0.50 -0.57 0.00 0.00 179.45 179.69 1i5o s ARG 14 N -4.68 1.10 0.00 3.15 3.52 -1.26 -2.25 118.95 118.53 1i5o s ARG 14 Ca -0.14 -1.05 0.00 0.00 -0.13 0.00 0.00 55.73 54.41 1i5o s ARG 14 Cb 0.02 0.39 0.00 0.00 -1.56 0.00 0.00 34.95 33.81 1i5o s ARG 14 CO 0.54 -0.41 0.00 0.41 -0.81 0.00 0.00 175.30 175.04 1i5o n GLY 15 N -0.19 0.54 3.79 8.12 0.00 -0.93 -1.64 105.19 114.88 1i5o n GLY 15 Ca -0.10 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.35 1i5o n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i5o s THR 16 N -0.60 4.85 -0.10 2.61 2.01 -0.69 0.04 115.64 123.77 1i5o s THR 16 Ca 0.00 -0.27 -0.00 0.00 0.31 0.00 0.00 61.69 61.73 1i5o s THR 16 Cb 0.00 -3.18 0.02 0.00 0.01 0.00 0.00 72.50 69.35 1i5o s THR 16 CO 0.00 0.43 -0.07 0.68 -0.69 0.00 0.00 174.62 174.97 1i5o s VAL 17 N -1.13 0.93 -0.30 3.82 -7.23 0.37 -0.89 120.40 115.97 1i5o s VAL 17 Ca 0.21 -0.26 -0.10 0.00 -1.81 0.00 0.00 61.98 60.02 1i5o s VAL 17 Cb -0.12 -0.95 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 1i5o s VAL 17 CO 0.11 0.34 0.16 -0.63 -0.31 0.00 0.00 175.10 174.77 1i5o s ILE 18 N 1.54 4.72 0.38 -0.62 1.01 0.13 -0.26 121.20 128.10 1i5o s ILE 18 Ca 0.01 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.40 1i5o s ILE 18 Cb -0.13 -3.37 -0.06 0.00 0.01 0.00 0.00 42.46 38.91 1i5o s ILE 18 CO -0.06 0.11 0.05 -0.62 0.00 0.00 0.00 174.94 174.42 1i5o s ASP 19 N 1.64 3.03 -1.69 3.58 2.15 -0.43 -1.17 116.67 123.80 1i5o s ASP 19 Ca 0.05 -1.44 0.00 0.00 0.43 0.00 0.00 52.55 51.59 1i5o s ASP 19 Cb -0.17 -0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.41 1i5o s ASP 19 CO 0.07 -0.63 0.00 1.41 -0.17 0.00 0.00 175.17 175.85 1i5o n HIS 20 N -0.85 -0.43 -2.57 -5.34 8.25 -1.25 -1.02 115.22 112.00 1i5o n HIS 20 Ca -0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.99 1i5o n HIS 20 Cb 0.67 -3.27 -0.03 0.00 1.12 0.00 0.00 29.99 28.47 1i5o n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1i5o s ILE 21 N -2.77 4.51 0.51 1.59 1.01 -1.15 -3.18 121.20 121.71 1i5o s ILE 21 Ca 0.00 1.80 -0.21 0.00 0.00 0.00 0.00 60.65 62.24 1i5o s ILE 21 Cb 0.00 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 38.24 1i5o s ILE 21 CO 0.00 0.06 0.96 -0.81 0.00 0.00 0.00 174.94 175.15 1i5o n PRO 22 N 4.58 1.12 -0.90 2.79 -0.04 -1.26 -1.07 135.00 140.22 1i5o n PRO 22 Ca 0.09 0.41 -0.33 0.00 -0.04 0.00 0.00 63.50 63.63 1i5o n PRO 22 Cb 0.48 -2.08 0.14 0.00 -0.04 0.00 0.00 33.50 32.00 1i5o n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i5o n ALA 23 N -1.10 -0.69 -1.13 0.55 0.00 -1.26 -2.79 120.51 114.09 1i5o n ALA 23 Ca 0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 53.44 53.06 1i5o n ALA 23 Cb 0.43 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.70 1i5o n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1i5o n GLN 24 N -3.39 -1.86 -0.05 0.00 1.13 -1.26 -4.79 117.38 107.16 1i5o n GLN 24 Ca 0.12 0.65 -0.06 0.00 -1.94 0.00 0.00 57.00 55.78 1i5o n GLN 24 Cb 0.51 -5.11 -0.08 0.00 0.11 0.00 0.00 30.24 25.68 1i5o n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1i5o n ILE 25 N -2.10 0.69 -0.23 5.09 2.08 -1.12 -4.69 119.36 119.09 1i5o n ILE 25 Ca -0.04 -0.40 -0.01 0.00 0.56 0.00 0.00 62.75 62.86 1i5o n ILE 25 Cb 0.53 -0.77 0.06 0.00 -0.75 0.00 0.00 39.64 38.71 1i5o n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1i5o h GLY 26 N 1.80 0.33 0.67 7.39 0.00 -1.87 -0.37 103.07 111.03 1i5o h GLY 26 Ca -0.27 0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.41 1i5o h GLY 26 CO 0.00 -0.25 0.43 -2.75 0.00 0.00 0.00 176.54 173.97 1i5o h PHE 27 N -0.05 0.78 0.57 5.60 3.57 -1.96 0.25 116.94 125.71 1i5o h PHE 27 Ca 0.31 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 1i5o h PHE 27 Cb 0.52 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1i5o h PHE 27 CO -0.58 0.37 -0.39 0.87 -2.23 0.00 0.00 178.31 176.35 1i5o h LYS 28 N 0.77 -0.89 -0.71 1.11 1.57 -1.39 0.27 116.57 117.31 1i5o h LYS 28 Ca 0.33 0.06 0.16 0.00 -1.87 0.00 0.00 60.65 59.33 1i5o h LYS 28 Cb 0.21 0.20 -0.12 0.00 0.08 0.00 0.00 32.23 32.60 1i5o h LYS 28 CO -0.19 -0.59 0.04 -0.07 -0.57 0.00 0.00 179.45 178.07 1i5o h LEU 29 N -0.92 -0.25 -0.35 2.94 3.38 -0.51 0.65 115.31 120.25 1i5o h LEU 29 Ca -0.07 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.14 1i5o h LEU 29 Cb 0.76 0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 1i5o h LEU 29 CO 0.04 -0.13 -0.07 -0.07 0.09 0.00 0.00 178.44 178.31 1i5o h LEU 30 N 0.14 -0.28 0.00 1.67 3.38 0.39 -0.16 115.31 120.44 1i5o h LEU 30 Ca 0.39 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 1i5o h LEU 30 Cb 0.66 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1i5o h LEU 30 CO -0.59 -0.10 -0.14 0.77 0.09 0.00 0.00 178.44 178.48 1i5o h SER 31 N 0.02 0.00 -0.89 -0.43 4.64 0.89 -0.21 113.55 117.58 1i5o h SER 31 Ca 0.17 -0.05 0.11 0.00 -0.47 0.00 0.00 61.79 61.55 1i5o h SER 31 Cb 0.26 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.22 1i5o h SER 31 CO -0.34 0.59 -0.44 -0.11 -0.87 0.00 0.00 176.83 175.66 1i5o n LEU 32 N -4.73 -0.77 -1.56 5.97 7.94 0.21 0.11 117.00 124.17 1i5o n LEU 32 Ca -0.02 1.57 0.07 0.00 -1.11 0.00 0.00 56.01 56.51 1i5o n LEU 32 Cb 0.09 -0.28 0.33 0.00 0.53 0.00 0.00 43.42 44.09 1i5o n LEU 32 CO 0.04 -1.34 0.77 0.49 -1.11 0.00 0.00 177.39 176.24 1i5o n PHE 33 N -5.21 1.56 -4.18 1.96 3.01 -0.08 -4.93 117.46 109.59 1i5o n PHE 33 Ca 0.05 -0.57 -0.29 0.00 1.01 0.00 0.00 57.45 57.65 1i5o n PHE 33 Cb 0.29 -0.35 -0.09 0.00 -0.01 0.00 0.00 39.48 39.32 1i5o n PHE 33 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1i5o n LYS 34 N 0.72 -0.93 0.00 -1.08 4.01 0.30 -4.77 118.16 116.41 1i5o n LYS 34 Ca 0.23 0.09 0.05 0.00 -0.51 0.00 0.00 58.31 58.17 1i5o n LYS 34 Cb 0.93 -3.37 0.24 0.00 -0.51 0.00 0.00 35.03 32.32 1i5o n LYS 34 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1i5o n LEU 35 N -4.25 0.00 0.08 -0.35 4.77 -0.10 -2.44 117.00 114.71 1i5o n LEU 35 Ca -0.27 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 1i5o n LEU 35 Cb 0.62 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 1i5o n LEU 35 CO 0.79 -0.23 0.12 0.71 -1.33 0.00 0.00 177.39 177.45 1i5o h THR 36 N 0.00 1.64 -0.59 -5.08 1.35 -1.86 -3.37 112.91 105.00 1i5o h THR 36 Ca 0.00 -3.22 0.17 0.00 -0.55 0.00 0.00 66.41 62.81 1i5o h THR 36 Cb 0.12 2.81 -0.02 0.00 -1.73 0.00 0.00 68.15 69.33 1i5o h THR 36 CO 0.00 0.93 0.90 -0.33 -0.25 0.00 0.00 175.52 176.76 1i5o h GLU 37 N 0.03 0.00 -7.31 4.72 4.39 -1.83 -3.43 114.58 111.14 1i5o h GLU 37 Ca -0.04 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.21 1i5o h GLU 37 Cb 1.77 0.00 0.17 0.00 -0.10 0.00 0.00 28.75 30.59 1i5o h GLU 37 CO 0.15 0.00 0.16 -0.08 -1.16 0.00 0.00 179.01 178.08 1i5o s THR 38 N -4.37 2.09 -0.83 1.13 -1.32 -1.26 -4.99 115.64 106.09 1i5o s THR 38 Ca -0.03 0.03 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 1i5o s THR 38 Cb 0.11 -2.43 0.15 0.00 -1.51 0.00 0.00 72.50 68.82 1i5o s THR 38 CO 0.39 -0.04 0.99 -0.67 -2.21 0.00 0.00 174.62 173.08 1i5o n ASP 39 N -4.32 2.23 -4.94 8.08 2.03 -1.26 -5.02 116.55 113.35 1i5o n ASP 39 Ca 0.05 -1.70 -0.24 0.00 0.52 0.00 0.00 54.79 53.42 1i5o n ASP 39 Cb 0.56 -0.09 -0.01 0.00 -0.72 0.00 0.00 41.12 40.86 1i5o n ASP 39 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1i5o s GLN 40 N -0.86 3.45 0.10 -0.67 -1.52 -1.26 -5.02 119.66 113.88 1i5o s GLN 40 Ca 0.14 -0.30 -0.31 0.00 -1.95 0.00 0.00 55.36 52.94 1i5o s GLN 40 Cb 0.08 -2.62 -0.09 0.00 -0.22 0.00 0.00 33.01 30.16 1i5o s GLN 40 CO 0.11 0.07 1.70 0.50 -0.25 0.00 0.00 175.29 177.42 1i5o s ARG 41 N -4.39 4.18 -0.08 2.91 3.52 -1.26 -4.91 118.95 118.92 1i5o s ARG 41 Ca 0.42 2.43 0.04 0.00 -0.13 0.00 0.00 55.73 58.48 1i5o s ARG 41 Cb -0.10 -3.54 0.00 0.00 -1.56 0.00 0.00 34.95 29.76 1i5o s ARG 41 CO 0.37 -0.76 -0.19 0.42 -0.81 0.00 0.00 175.30 174.33 1i5o s ILE 42 N 2.48 1.68 -0.10 4.11 1.01 -1.26 -2.19 121.20 126.94 1i5o s ILE 42 Ca 0.76 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 60.64 1i5o s ILE 42 Cb -0.42 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.58 1i5o s ILE 42 CO 0.33 0.48 -0.22 -0.89 0.00 0.00 0.00 174.94 174.64 1i5o s THR 43 N 0.40 1.93 0.11 2.92 2.01 -0.45 -5.00 115.64 117.57 1i5o s THR 43 Ca -0.15 -0.94 0.10 0.00 0.31 0.00 0.00 61.69 61.01 1i5o s THR 43 Cb -0.16 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1i5o s THR 43 CO 0.06 0.53 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.64 1i5o s ILE 44 N 0.39 2.32 -0.17 1.82 1.09 -1.26 -0.40 121.20 124.98 1i5o s ILE 44 Ca -0.18 -1.66 -0.01 0.00 -1.10 0.00 0.00 60.65 57.70 1i5o s ILE 44 Cb -0.18 -2.01 0.05 0.00 -1.06 0.00 0.00 42.46 39.26 1i5o s ILE 44 CO 0.08 0.14 -0.04 -0.83 -0.10 0.00 0.00 174.94 174.20 1i5o s GLY 45 N -1.92 0.93 -0.30 6.18 0.00 0.85 -4.96 107.32 108.10 1i5o s GLY 45 Ca 0.14 -0.83 -0.13 0.00 0.00 0.00 0.00 44.72 43.90 1i5o s GLY 45 CO 0.06 1.03 0.28 1.08 0.00 0.00 0.00 173.10 175.55 1i5o s LEU 46 N 1.66 4.16 -0.53 0.66 1.43 -1.26 -1.22 118.68 123.58 1i5o s LEU 46 Ca -0.00 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1i5o s LEU 46 Cb -0.16 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1i5o s LEU 46 CO -0.07 -0.17 0.53 0.59 0.23 0.00 0.00 176.35 177.46 1i5o n ASN 47 N 5.21 -6.59 -4.24 2.29 3.02 -1.11 -4.98 115.26 108.87 1i5o n ASN 47 Ca -0.11 0.04 -0.35 0.00 -0.03 0.00 0.00 54.58 54.13 1i5o n ASN 47 Cb 0.51 -4.41 -0.14 0.00 -0.61 0.00 0.00 39.78 35.13 1i5o n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1i5o s LEU 48 N -3.30 3.30 0.31 3.41 1.43 0.12 -4.65 118.68 119.30 1i5o s LEU 48 Ca 0.04 -0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 52.04 1i5o s LEU 48 Cb -0.01 -1.71 -0.11 0.00 0.03 0.00 0.00 46.19 44.38 1i5o s LEU 48 CO 0.59 -0.13 1.58 -2.65 0.23 0.00 0.00 176.35 175.97 1i5o n PRO 49 N 4.72 2.72 -4.17 1.29 -0.02 -1.26 -2.21 135.00 136.07 1i5o n PRO 49 Ca -0.16 0.97 -0.11 0.00 -2.02 0.00 0.00 63.50 62.18 1i5o n PRO 49 Cb 0.47 -2.74 -0.10 0.00 -0.02 0.00 0.00 33.50 31.11 1i5o n PRO 49 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i5o s SER 50 N 0.36 0.63 0.23 2.55 0.15 0.17 -4.85 113.70 112.94 1i5o s SER 50 Ca 0.61 -1.18 -0.04 0.00 0.70 0.00 0.00 55.95 56.05 1i5o s SER 50 Cb -0.49 0.23 0.23 0.00 -1.71 0.00 0.00 66.02 64.29 1i5o s SER 50 CO 0.52 -0.66 1.69 1.23 1.20 0.00 0.00 173.24 177.22 1i5o h GLY 51 N 2.83 0.90 2.00 9.45 0.00 -2.00 -1.85 103.07 114.42 1i5o h GLY 51 Ca -0.36 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.30 1i5o h GLY 51 CO 0.61 0.62 0.00 -2.21 0.00 0.00 0.00 176.54 175.56 1i5o n GLU 52 N -4.17 0.06 0.00 4.80 0.00 -1.26 -4.74 120.64 115.33 1i5o n GLU 52 Ca 0.02 0.35 0.00 0.00 0.00 0.00 0.00 57.16 57.53 1i5o n GLU 52 Cb 0.36 -1.63 0.00 0.00 0.00 0.00 0.00 31.44 30.17 1i5o n GLU 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 1i5o n MET 53 N -1.74 0.00 0.00 5.31 1.56 -0.70 -5.03 117.12 116.52 1i5o n MET 53 Ca 0.02 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.45 1i5o n MET 53 Cb 0.16 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.53 1i5o n MET 53 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1i5o n GLY 54 N -0.03 1.19 3.62 -5.12 0.00 -1.21 0.44 105.19 104.08 1i5o n GLY 54 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1i5o n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i5o s ARG 55 N 0.13 0.39 0.00 1.61 0.52 -1.25 -4.12 118.95 116.22 1i5o s ARG 55 Ca 0.00 0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.47 1i5o s ARG 55 Cb 0.00 0.19 0.00 0.00 0.52 0.00 0.00 34.95 35.66 1i5o s ARG 55 CO 0.00 -0.09 0.00 0.36 0.02 0.00 0.00 175.30 175.59 1i5o n LYS 56 N 1.33 0.00 -3.78 3.54 2.85 -0.94 -4.63 118.16 116.54 1i5o n LYS 56 Ca -0.09 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.80 1i5o n LYS 56 Cb 0.57 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.89 1i5o n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1i5o s ASP 57 N 0.00 6.50 -0.08 -5.58 -0.00 -0.23 0.11 116.67 117.39 1i5o s ASP 57 Ca 0.00 0.58 -0.01 0.00 -0.00 0.00 0.00 52.55 53.13 1i5o s ASP 57 Cb 0.00 -2.11 0.03 0.00 -0.00 0.00 0.00 42.92 40.84 1i5o s ASP 57 CO 0.00 0.34 -0.03 -0.22 -0.00 0.00 0.00 175.17 175.26 1i5o s LEU 58 N -1.28 0.89 -0.07 1.23 0.20 -0.36 -2.95 118.68 116.35 1i5o s LEU 58 Ca 0.21 -0.16 0.05 0.00 0.69 0.00 0.00 54.13 54.92 1i5o s LEU 58 Cb -0.13 -0.57 -0.00 0.00 -0.43 0.00 0.00 46.19 45.06 1i5o s LEU 58 CO 0.10 -0.15 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.16 1i5o s ILE 59 N 1.70 1.90 -0.24 6.68 1.01 -0.31 -0.10 121.20 131.83 1i5o s ILE 59 Ca 0.02 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.73 1i5o s ILE 59 Cb -0.13 -1.62 0.05 0.00 0.01 0.00 0.00 42.46 40.77 1i5o s ILE 59 CO -0.05 0.53 -0.12 -0.54 0.00 0.00 0.00 174.94 174.76 1i5o s LYS 60 N 0.06 2.27 -0.67 2.79 1.02 0.46 0.20 119.74 125.88 1i5o s LYS 60 Ca -0.09 -1.22 -0.13 0.00 0.02 0.00 0.00 55.97 54.56 1i5o s LYS 60 Cb -0.15 -2.79 0.17 0.00 -0.52 0.00 0.00 37.83 34.54 1i5o s LYS 60 CO 0.05 -0.52 0.60 0.96 -0.92 0.00 0.00 175.35 175.52 1i5o s ILE 61 N 1.17 5.13 0.47 2.17 -4.36 -0.07 -1.34 121.20 124.37 1i5o s ILE 61 Ca -0.06 -2.13 -0.22 0.00 -0.26 0.00 0.00 60.65 57.97 1i5o s ILE 61 Cb -0.19 -4.24 -0.10 0.00 1.25 0.00 0.00 42.46 39.18 1i5o s ILE 61 CO -0.06 -0.93 0.75 1.21 0.24 0.00 0.00 174.94 176.15 1i5o n GLU 62 N 4.44 0.87 -2.54 0.37 2.13 -0.93 -2.53 120.64 122.45 1i5o n GLU 62 Ca 0.02 0.32 -0.04 0.00 0.66 0.00 0.00 57.16 58.11 1i5o n GLU 62 Cb 0.43 -1.80 -0.00 0.00 0.27 0.00 0.00 31.44 30.34 1i5o n GLU 62 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1i5o n ASN 63 N 0.64 -1.81 -4.25 4.31 4.13 -0.65 -4.74 115.26 112.88 1i5o n ASN 63 Ca 0.11 0.37 -0.26 0.00 1.68 0.00 0.00 54.58 56.49 1i5o n ASN 63 Cb 0.42 -1.64 -0.14 0.00 -1.54 0.00 0.00 39.78 36.87 1i5o n ASN 63 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1i5o s THR 64 N -2.20 1.68 -0.32 3.41 2.01 -1.13 -4.92 115.64 114.18 1i5o s THR 64 Ca 0.02 -1.18 -0.01 0.00 0.31 0.00 0.00 61.69 60.84 1i5o s THR 64 Cb -0.01 -1.45 0.10 0.00 0.01 0.00 0.00 72.50 71.15 1i5o s THR 64 CO 0.03 0.24 0.11 -0.36 -0.69 0.00 0.00 174.62 173.94 1i5o s PHE 65 N -0.77 1.69 -0.12 4.92 0.40 -1.26 -1.70 117.98 121.14 1i5o s PHE 65 Ca 0.08 -1.77 -0.34 0.00 -0.60 0.00 0.00 56.93 54.30 1i5o s PHE 65 Cb -0.09 -1.70 -0.11 0.00 0.51 0.00 0.00 43.02 41.63 1i5o s PHE 65 CO 0.02 -0.87 1.95 1.28 0.70 0.00 0.00 175.22 178.29 1i5o n LEU 66 N 4.75 3.35 -4.72 -0.37 4.77 -1.26 -4.94 117.00 118.58 1i5o n LEU 66 Ca -0.01 0.85 -0.36 0.00 -0.03 0.00 0.00 56.01 56.46 1i5o n LEU 66 Cb 0.41 -1.38 0.08 0.00 -2.33 0.00 0.00 43.42 40.20 1i5o n LEU 66 CO 0.12 -0.16 0.86 -0.94 -1.33 0.00 0.00 177.39 175.94 1i5o s SER 67 N 4.80 4.36 0.26 -1.43 1.04 -1.26 -4.64 113.70 116.82 1i5o s SER 67 Ca 0.95 2.52 0.12 0.00 0.48 0.00 0.00 55.95 60.02 1i5o s SER 67 Cb -0.66 -2.61 0.67 0.00 0.10 0.00 0.00 66.02 63.52 1i5o s SER 67 CO 0.50 -2.17 1.29 -1.84 0.98 0.00 0.00 173.24 172.00 1i5o n GLU 68 N -2.30 0.08 0.00 4.02 0.00 -1.26 -0.26 120.64 120.93 1i5o n GLU 68 Ca 0.15 0.54 -0.01 0.00 0.00 0.00 0.00 57.16 57.84 1i5o n GLU 68 Cb 0.49 -1.97 -0.00 0.00 0.00 0.00 0.00 31.44 29.96 1i5o n GLU 68 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1i5o h ASP 69 N 0.00 -0.05 -0.85 -1.84 3.45 -1.99 -2.70 116.42 112.44 1i5o h ASP 69 Ca 0.00 0.00 0.22 0.00 0.43 0.00 0.00 57.03 57.68 1i5o h ASP 69 Cb 0.39 0.01 -0.14 0.00 -0.56 0.00 0.00 39.33 39.03 1i5o h ASP 69 CO 0.00 0.18 0.12 1.56 -1.57 0.00 0.00 179.24 179.53 1i5o h GLN 70 N -0.50 0.14 -0.85 3.56 7.50 -0.95 0.59 115.11 124.59 1i5o h GLN 70 Ca -0.01 -0.01 0.10 0.00 0.50 0.00 0.00 58.65 59.24 1i5o h GLN 70 Cb 0.05 -0.03 -0.08 0.00 0.05 0.00 0.00 27.48 27.47 1i5o h GLN 70 CO 0.01 0.09 0.49 0.28 -1.50 0.00 0.00 178.83 178.20 1i5o h VAL 71 N 0.14 0.90 0.00 -0.54 2.07 -1.19 -1.24 116.25 116.38 1i5o h VAL 71 Ca 0.51 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.68 1i5o h VAL 71 Cb 0.99 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1i5o h VAL 71 CO -0.70 0.15 -0.33 0.44 0.02 0.00 0.00 177.57 177.14 1i5o h ASP 72 N 0.81 0.00 -0.06 0.57 3.32 0.48 -3.00 116.42 118.54 1i5o h ASP 72 Ca 0.42 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.40 1i5o h ASP 72 Cb 0.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1i5o h ASP 72 CO -0.26 0.33 -0.15 1.56 -1.72 0.00 0.00 179.24 179.01 1i5o h GLN 73 N 0.00 0.39 0.00 3.56 1.08 -0.05 -2.09 115.11 118.01 1i5o h GLN 73 Ca -0.00 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1i5o h GLN 73 Cb 0.96 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 1i5o h GLN 73 CO 0.04 0.54 0.00 1.28 -0.95 0.00 0.00 178.83 179.75 1i5o n LEU 74 N -4.21 0.00 0.31 1.46 4.77 -1.13 -3.18 117.00 115.02 1i5o n LEU 74 Ca 0.00 0.42 0.19 0.00 -0.03 0.00 0.00 56.01 56.59 1i5o n LEU 74 Cb 0.32 -0.42 0.98 0.00 -2.33 0.00 0.00 43.42 41.97 1i5o n LEU 74 CO 0.40 -0.42 1.10 0.00 -1.33 0.00 0.00 177.39 177.13 1i5o h ALA 75 N 1.99 1.06 0.00 -1.18 0.00 -1.55 0.17 119.26 119.75 1i5o h ALA 75 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1i5o h ALA 75 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1i5o h ALA 75 CO 0.00 0.02 -0.73 -0.11 0.00 0.00 0.00 179.25 178.43 1i5o n LEU 76 N -3.20 0.68 -0.00 0.00 0.00 -1.19 -4.29 117.00 109.00 1i5o n LEU 76 Ca -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 56.01 55.83 1i5o n LEU 76 Cb 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 43.42 43.43 1i5o n LEU 76 CO 0.24 0.15 -0.51 -1.22 0.00 0.00 0.00 177.39 176.05 1i5o n TYR 77 N -1.56 0.00 -3.23 1.96 4.01 -0.92 -4.91 117.16 112.50 1i5o n TYR 77 Ca 0.05 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.54 1i5o n TYR 77 Cb 0.35 -0.02 -0.07 0.00 -0.31 0.00 0.00 39.34 39.29 1i5o n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1i5o n ALA 78 N -2.53 2.37 -0.10 -0.72 0.00 0.54 -4.74 120.51 115.33 1i5o n ALA 78 Ca -0.01 -3.21 -0.08 0.00 0.00 0.00 0.00 53.44 50.14 1i5o n ALA 78 Cb 0.51 -0.82 0.08 0.00 0.00 0.00 0.00 19.45 19.22 1i5o n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1i5o h PRO 79 N 4.50 0.82 0.00 0.00 0.13 -1.74 -2.48 132.00 133.22 1i5o h PRO 79 Ca 0.12 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1i5o h PRO 79 Cb 0.90 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1i5o h PRO 79 CO 0.42 0.95 0.00 1.04 -0.23 0.00 0.00 178.00 180.18 1i5o n GLN 80 N -4.12 0.04 -1.89 0.86 1.13 -1.26 -4.23 117.38 107.91 1i5o n GLN 80 Ca 0.00 0.13 -0.39 0.00 -1.94 0.00 0.00 57.00 54.80 1i5o n GLN 80 Cb 0.43 -1.56 0.01 0.00 0.11 0.00 0.00 30.24 29.23 1i5o n GLN 80 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i5o s ALA 81 N -3.03 3.20 0.07 -1.58 0.00 -0.94 -4.82 121.76 114.66 1i5o s ALA 81 Ca 0.11 1.36 0.06 0.00 0.00 0.00 0.00 51.96 53.49 1i5o s ALA 81 Cb 0.15 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1i5o s ALA 81 CO 0.45 -1.08 -0.10 0.95 0.00 0.00 0.00 175.76 175.98 1i5o s THR 82 N -1.24 3.38 -0.30 0.00 -4.23 -0.19 -4.15 115.64 108.91 1i5o s THR 82 Ca 0.61 -1.13 0.03 0.00 -1.18 0.00 0.00 61.69 60.01 1i5o s THR 82 Cb -0.41 -2.54 0.08 0.00 1.34 0.00 0.00 72.50 70.97 1i5o s THR 82 CO 0.52 0.21 0.00 -0.69 -0.54 0.00 0.00 174.62 174.12 1i5o s VAL 83 N -1.13 1.97 -0.20 2.29 1.01 0.30 -1.31 120.40 123.33 1i5o s VAL 83 Ca 0.20 -1.90 -0.11 0.00 0.00 0.00 0.00 61.98 60.16 1i5o s VAL 83 Cb -0.11 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1i5o s VAL 83 CO 0.11 -0.40 0.19 0.20 0.00 0.00 0.00 175.10 175.20 1i5o s ASN 84 N 1.11 6.25 -0.20 3.32 0.02 0.64 -2.30 114.94 123.77 1i5o s ASN 84 Ca 0.04 0.28 -0.21 0.00 -1.02 0.00 0.00 52.86 51.95 1i5o s ASN 84 Cb -0.19 -2.12 -0.02 0.00 0.02 0.00 0.00 41.25 38.93 1i5o s ASN 84 CO -0.09 0.11 0.64 -0.60 0.02 0.00 0.00 177.10 177.18 1i5o s ARG 85 N 0.63 4.21 0.09 -0.60 3.52 0.20 -0.48 118.95 126.53 1i5o s ARG 85 Ca 0.10 0.63 0.04 0.00 -0.13 0.00 0.00 55.73 56.37 1i5o s ARG 85 Cb -0.12 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 1i5o s ARG 85 CO 0.02 -0.25 0.08 0.42 -0.81 0.00 0.00 175.30 174.75 1i5o s ILE 86 N 1.95 4.46 -0.30 4.11 1.09 0.11 -0.09 121.20 132.53 1i5o s ILE 86 Ca 0.29 -0.84 -0.15 0.00 -1.10 0.00 0.00 60.65 58.85 1i5o s ILE 86 Cb -0.16 -3.17 0.17 0.00 -1.06 0.00 0.00 42.46 38.25 1i5o s ILE 86 CO 0.10 0.09 1.04 -0.62 -0.10 0.00 0.00 174.94 175.45 1i5o s ASP 87 N -2.48 -0.49 -0.65 3.58 2.15 -1.01 -2.18 116.67 115.58 1i5o s ASP 87 Ca 0.29 0.65 -0.02 0.00 0.43 0.00 0.00 52.55 53.90 1i5o s ASP 87 Cb -0.12 1.55 0.00 0.00 -0.30 0.00 0.00 42.92 44.05 1i5o s ASP 87 CO 0.22 -0.09 0.28 -3.20 -0.17 0.00 0.00 175.17 172.21 1i5o n ASN 88 N 4.94 -3.52 -0.35 -0.34 2.85 -0.95 -3.15 115.26 114.73 1i5o n ASN 88 Ca -0.08 -0.13 -0.05 0.00 -0.11 0.00 0.00 54.58 54.21 1i5o n ASN 88 Cb 0.53 -2.40 -0.02 0.00 1.24 0.00 0.00 39.78 39.14 1i5o n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1i5o n TYR 89 N -3.75 0.00 -3.96 1.20 4.01 -1.05 -4.97 117.16 108.63 1i5o n TYR 89 Ca -0.04 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.60 1i5o n TYR 89 Cb 0.55 -1.99 -0.11 0.00 -0.31 0.00 0.00 39.34 37.47 1i5o n TYR 89 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1i5o s GLU 90 N -2.13 0.28 -0.27 -0.72 2.12 -1.19 -4.99 118.70 111.80 1i5o s GLU 90 Ca 0.00 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.53 1i5o s GLU 90 Cb 0.00 0.10 -0.07 0.00 0.26 0.00 0.00 34.13 34.42 1i5o s GLU 90 CO 0.00 -0.05 2.23 0.28 -0.54 0.00 0.00 175.26 177.19 1i5o n VAL 91 N 1.82 0.28 0.03 3.70 0.31 -1.26 -2.41 118.33 120.80 1i5o n VAL 91 Ca -0.22 -0.43 0.11 0.00 -0.01 0.00 0.00 64.34 63.79 1i5o n VAL 91 Cb 0.56 -2.34 0.24 0.00 -0.91 0.00 0.00 33.84 31.39 1i5o n VAL 91 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1i5o n VAL 92 N 7.64 0.70 0.00 2.52 0.31 0.87 -4.95 118.33 125.43 1i5o n VAL 92 Ca 0.33 -0.85 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1i5o n VAL 92 Cb 0.40 0.78 0.00 0.00 -0.91 0.00 0.00 33.84 34.11 1i5o n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i5o n GLY 93 N 1.44 1.40 3.93 2.92 0.00 -1.19 -4.95 105.19 108.74 1i5o n GLY 93 Ca 0.20 0.48 -0.29 0.00 0.00 0.00 0.00 46.02 46.41 1i5o n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i5o s LYS 94 N 0.00 3.45 -0.18 1.61 1.02 -1.26 -0.62 119.74 123.76 1i5o s LYS 94 Ca 0.00 -0.48 -0.28 0.00 0.02 0.00 0.00 55.97 55.23 1i5o s LYS 94 Cb 0.00 -3.00 0.08 0.00 -0.52 0.00 0.00 37.83 34.40 1i5o s LYS 94 CO 0.00 0.56 0.78 -1.54 -0.92 0.00 0.00 175.35 174.23 1i5o s SER 95 N -2.81 -0.64 0.12 2.83 1.04 -0.97 -5.00 113.70 108.28 1i5o s SER 95 Ca 0.35 0.98 0.09 0.00 0.48 0.00 0.00 55.95 57.86 1i5o s SER 95 Cb -0.12 0.91 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 1i5o s SER 95 CO 0.28 -0.38 -0.19 -0.13 0.98 0.00 0.00 173.24 173.80 1i5o s ARG 96 N -0.40 1.75 -0.51 4.02 0.52 -1.26 -0.53 118.95 122.53 1i5o s ARG 96 Ca -0.04 -1.21 -0.26 0.00 -0.52 0.00 0.00 55.73 53.70 1i5o s ARG 96 Cb -0.03 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.31 1i5o s ARG 96 CO 0.04 0.47 2.16 -2.14 0.02 0.00 0.00 175.30 175.85 1i5o s PRO 97 N -2.18 2.42 0.21 3.54 0.02 -1.26 -4.86 135.00 132.89 1i5o s PRO 97 Ca 0.18 1.15 -0.29 0.00 0.02 0.00 0.00 61.00 62.06 1i5o s PRO 97 Cb -0.10 -4.48 -0.08 0.00 0.02 0.00 0.00 34.50 29.85 1i5o s PRO 97 CO 0.10 -2.93 0.90 -1.12 -0.33 0.00 0.00 177.00 173.62 1i5o s SER 98 N 10.10 7.57 0.06 2.53 0.01 -1.26 -4.61 113.70 128.09 1i5o s SER 98 Ca 0.85 1.85 -0.30 0.00 1.31 0.00 0.00 55.95 59.67 1i5o s SER 98 Cb -0.17 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.39 1i5o s SER 98 CO 0.25 0.15 1.93 -0.22 0.41 0.00 0.00 173.24 175.76 1i5o s LEU 99 N -1.05 4.42 0.00 2.44 2.96 -1.26 -4.59 118.68 121.60 1i5o s LEU 99 Ca 0.40 2.69 0.00 0.00 -0.22 0.00 0.00 54.13 57.00 1i5o s LEU 99 Cb -0.25 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.90 1i5o s LEU 99 CO 0.30 -1.04 0.00 -0.81 -1.32 0.00 0.00 176.35 173.48 1i5o n PRO 100 N 7.06 0.06 0.00 0.98 -0.04 -1.26 -5.01 135.00 136.79 1i5o n PRO 100 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1i5o n PRO 100 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 1i5o n PRO 100 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1i5o n GLU 101 N -0.65 -0.26 -3.55 0.54 0.00 -1.26 -4.89 120.64 110.57 1i5o n GLU 101 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 57.16 57.02 1i5o n GLU 101 Cb 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 31.44 30.77 1i5o n GLU 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1i5o s ARG 102 N -0.00 0.47 -0.27 3.44 3.52 -1.26 -1.57 118.95 123.27 1i5o s ARG 102 Ca 0.00 1.19 -0.08 0.00 -0.13 0.00 0.00 55.73 56.70 1i5o s ARG 102 Cb 0.00 0.71 -0.02 0.00 -1.56 0.00 0.00 34.95 34.08 1i5o s ARG 102 CO 0.00 -0.16 0.11 0.42 -0.81 0.00 0.00 175.30 174.85 1i5o s ILE 103 N 2.73 4.47 0.15 4.11 1.01 -1.14 -4.95 121.20 127.58 1i5o s ILE 103 Ca -0.05 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 1i5o s ILE 103 Cb -0.10 -3.16 -0.06 0.00 0.01 0.00 0.00 42.46 39.15 1i5o s ILE 103 CO -0.18 0.24 0.39 -1.81 0.00 0.00 0.00 174.94 173.57 1i5o s ASP 104 N 1.62 6.50 -0.05 3.58 1.11 -1.26 -3.00 116.67 125.17 1i5o s ASP 104 Ca 0.06 0.61 -0.01 0.00 0.18 0.00 0.00 52.55 53.39 1i5o s ASP 104 Cb -0.16 -2.10 0.01 0.00 1.07 0.00 0.00 42.92 41.74 1i5o s ASP 104 CO 0.05 0.04 0.01 -0.46 1.18 0.00 0.00 175.17 176.00 1i5o n ASN 105 N 0.06 -0.24 0.00 0.27 6.94 -0.72 -4.54 115.26 117.03 1i5o n ASN 105 Ca -0.02 0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 1i5o n ASN 105 Cb 0.52 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 1i5o n ASN 105 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1i5o n VAL 106 N -0.63 0.00 -4.38 3.53 0.24 -1.26 -4.81 118.33 111.03 1i5o n VAL 106 Ca 0.00 -0.33 -0.24 0.00 -2.04 0.00 0.00 64.34 61.74 1i5o n VAL 106 Cb 0.11 1.35 -0.09 0.00 -1.47 0.00 0.00 33.84 33.74 1i5o n VAL 106 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1i5o s LEU 107 N -0.00 2.86 -0.08 1.34 1.43 -1.26 -5.09 118.68 117.88 1i5o s LEU 107 Ca 0.00 -0.81 0.02 0.00 -1.03 0.00 0.00 54.13 52.31 1i5o s LEU 107 Cb 0.00 -1.41 0.01 0.00 0.03 0.00 0.00 46.19 44.82 1i5o s LEU 107 CO 0.00 0.04 -0.14 -0.69 0.23 0.00 0.00 176.35 175.78 1i5o s VAL 108 N -2.28 1.32 0.15 -1.59 1.01 -1.26 -4.80 120.40 112.95 1i5o s VAL 108 Ca 0.29 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 1i5o s VAL 108 Cb -0.06 -1.19 -0.10 0.00 0.00 0.00 0.00 36.38 35.03 1i5o s VAL 108 CO 0.17 0.40 1.59 0.00 0.00 0.00 0.00 175.10 177.26 1i5o h PRO 110 N 7.05 0.00 -6.28 0.00 0.11 -1.94 -3.43 132.00 127.51 1i5o h PRO 110 Ca -0.43 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.11 1i5o h PRO 110 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1i5o h PRO 110 CO 0.92 0.39 1.26 1.21 -0.21 0.00 0.00 178.00 181.57 1i5o s ASN 111 N -6.51 5.94 0.00 -2.05 2.47 -1.26 -4.87 114.94 108.66 1i5o s ASN 111 Ca -0.01 1.32 0.14 0.00 0.42 0.00 0.00 52.86 54.74 1i5o s ASN 111 Cb 0.12 -2.53 0.65 0.00 -1.45 0.00 0.00 41.25 38.04 1i5o s ASN 111 CO 0.69 -1.67 1.45 -1.54 -3.72 0.00 0.00 177.10 172.31 1i5o n SER 112 N 10.10 0.00 -0.04 -4.21 3.41 -1.26 -2.62 113.62 119.00 1i5o n SER 112 Ca 0.22 0.38 0.07 0.00 -0.26 0.00 0.00 58.87 59.29 1i5o n SER 112 Cb 0.47 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.90 1i5o n SER 112 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1i5o n ASN 113 N -1.44 0.81 -4.67 4.04 5.15 -1.26 -5.00 115.26 112.89 1i5o n ASN 113 Ca 0.04 -0.91 -0.48 0.00 -0.60 0.00 0.00 54.58 52.64 1i5o n ASN 113 Cb 0.15 0.95 -0.05 0.00 -0.53 0.00 0.00 39.78 40.31 1i5o n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i5o h ILE 115 N 4.69 0.31 -0.68 0.00 6.09 -1.94 -2.37 117.51 123.61 1i5o h ILE 115 Ca -0.47 -0.02 0.14 0.00 -1.37 0.00 0.00 64.86 63.14 1i5o h ILE 115 Cb 1.27 0.25 -0.13 0.00 0.47 0.00 0.00 36.82 38.69 1i5o h ILE 115 CO 0.92 0.01 -0.12 0.77 -3.07 0.00 0.00 178.15 176.66 1i5o h SER 116 N 0.05 -0.54 -0.08 2.19 4.64 -1.91 -3.20 113.55 114.70 1i5o h SER 116 Ca 0.67 0.20 0.01 0.00 -0.47 0.00 0.00 61.79 62.20 1i5o h SER 116 Cb 2.53 0.39 -0.02 0.00 -0.31 0.00 0.00 62.40 64.99 1i5o h SER 116 CO -0.08 -0.21 -0.17 0.45 -0.87 0.00 0.00 176.83 175.96 1i5o h HIS 117 N 0.03 -0.50 0.00 4.77 3.86 -1.80 -2.73 115.15 118.78 1i5o h HIS 117 Ca 0.34 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.53 1i5o h HIS 117 Cb 0.54 0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 1i5o h HIS 117 CO -0.50 -0.16 -0.21 0.00 0.86 0.00 0.00 177.93 177.92 1i5o h ALA 118 N -1.01 1.26 -2.40 2.45 0.00 -1.80 -3.46 119.26 114.31 1i5o h ALA 118 Ca 0.02 -0.19 -0.51 0.00 0.00 0.00 0.00 54.91 54.23 1i5o h ALA 118 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1i5o h ALA 118 CO -0.15 0.26 -0.09 -1.21 0.00 0.00 0.00 179.25 178.06 1i5o s GLU 119 N -4.09 3.65 0.00 0.00 0.41 -1.03 -5.00 118.70 112.64 1i5o s GLU 119 Ca -0.02 0.09 0.00 0.00 -0.41 0.00 0.00 54.97 54.63 1i5o s GLU 119 Cb 0.13 -2.59 0.00 0.00 -1.78 0.00 0.00 34.13 29.89 1i5o s GLU 119 CO 0.63 0.15 0.88 -0.35 -0.49 0.00 0.00 175.26 176.09 1i5o n PRO 120 N -1.06 0.46 -4.40 0.39 -0.04 -1.26 -4.83 135.00 124.25 1i5o n PRO 120 Ca -0.01 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.14 1i5o n PRO 120 Cb 0.54 -1.27 -0.11 0.00 -0.04 0.00 0.00 33.50 32.62 1i5o n PRO 120 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1i5o s VAL 121 N 1.04 3.39 -0.10 0.52 -7.23 -1.26 -5.10 120.40 111.67 1i5o s VAL 121 Ca 0.00 -1.05 -0.20 0.00 -1.81 0.00 0.00 61.98 58.92 1i5o s VAL 121 Cb 0.00 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1i5o s VAL 121 CO 0.00 0.26 0.56 -0.44 -0.31 0.00 0.00 175.10 175.17 1i5o s SER 122 N -1.76 6.80 0.99 4.85 0.01 -1.26 -4.97 113.70 118.36 1i5o s SER 122 Ca 0.19 0.96 -0.16 0.00 1.31 0.00 0.00 55.95 58.25 1i5o s SER 122 Cb -0.11 -2.33 -0.03 0.00 0.21 0.00 0.00 66.02 63.76 1i5o s SER 122 CO 0.10 -0.04 -0.16 -1.54 0.41 0.00 0.00 173.24 172.01 1i5o n SER 123 N 3.68 -3.39 -3.54 2.44 3.41 -1.26 -4.74 113.62 110.22 1i5o n SER 123 Ca -0.05 0.20 0.01 0.00 -0.26 0.00 0.00 58.87 58.77 1i5o n SER 123 Cb 0.51 -0.99 -0.06 0.00 -0.26 0.00 0.00 64.21 63.42 1i5o n SER 123 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1i5o s SER 124 N -1.61 -0.29 -0.09 4.04 0.15 -1.26 -1.75 113.70 112.88 1i5o s SER 124 Ca 0.50 0.44 0.01 0.00 0.70 0.00 0.00 55.95 57.60 1i5o s SER 124 Cb -0.17 1.19 0.02 0.00 -1.71 0.00 0.00 66.02 65.36 1i5o s SER 124 CO 0.72 -0.07 -0.10 -0.36 1.20 0.00 0.00 173.24 174.63 1i5o s PHE 125 N 1.51 1.48 -0.27 3.44 0.40 -1.16 -1.76 117.98 121.62 1i5o s PHE 125 Ca -0.06 -0.65 -0.28 0.00 -0.60 0.00 0.00 56.93 55.33 1i5o s PHE 125 Cb -0.03 -1.16 -0.03 0.00 0.51 0.00 0.00 43.02 42.31 1i5o s PHE 125 CO -0.14 -0.40 1.89 0.00 0.70 0.00 0.00 175.22 177.27 1i5o s ALA 126 N 1.19 2.92 -0.04 5.36 0.00 0.12 -2.88 121.76 128.43 1i5o s ALA 126 Ca -0.05 0.46 -0.25 0.00 0.00 0.00 0.00 51.96 52.12 1i5o s ALA 126 Cb -0.14 -4.00 -0.04 0.00 0.00 0.00 0.00 23.12 18.94 1i5o s ALA 126 CO -0.03 -2.54 0.78 0.08 0.00 0.00 0.00 175.76 174.06 1i5o s VAL 127 N 6.92 4.99 -0.09 0.00 1.01 -0.61 -1.87 120.40 130.74 1i5o s VAL 127 Ca 0.84 1.62 -0.04 0.00 0.00 0.00 0.00 61.98 64.40 1i5o s VAL 127 Cb -0.26 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.04 1i5o s VAL 127 CO 0.34 0.23 0.21 -0.60 0.00 0.00 0.00 175.10 175.28 1i5o s ARG 128 N 0.83 0.16 0.02 2.72 3.52 -0.70 -4.64 118.95 120.86 1i5o s ARG 128 Ca 0.42 0.49 -0.30 0.00 -0.13 0.00 0.00 55.73 56.20 1i5o s ARG 128 Cb -0.19 -0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.02 1i5o s ARG 128 CO 0.21 -0.17 1.11 0.15 -0.81 0.00 0.00 175.30 175.78 1i5o s LYS 129 N 1.32 4.48 0.20 5.12 1.02 -1.26 -1.31 119.74 129.30 1i5o s LYS 129 Ca -0.08 1.61 -0.10 0.00 0.02 0.00 0.00 55.97 57.42 1i5o s LYS 129 Cb -0.11 -3.41 -0.01 0.00 -0.52 0.00 0.00 37.83 33.78 1i5o s LYS 129 CO -0.08 -0.19 0.35 0.50 -0.92 0.00 0.00 175.35 175.02 1i5o s ARG 130 N 1.14 1.32 0.00 1.68 3.52 -1.16 -4.95 118.95 120.50 1i5o s ARG 130 Ca 0.56 -1.24 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 1i5o s ARG 130 Cb -0.25 0.41 0.00 0.00 -1.56 0.00 0.00 34.95 33.54 1i5o s ARG 130 CO 0.28 -0.51 0.00 0.00 -0.81 0.00 0.00 175.30 174.26 1i5o n ALA 131 N -0.29 0.00 0.06 6.12 0.00 -1.26 -2.47 120.51 122.67 1i5o n ALA 131 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.24 1i5o n ALA 131 Cb 0.63 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.94 1i5o n ALA 131 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1i5o h ASN 132 N 0.00 0.35 -3.34 0.00 -1.24 -2.03 -3.49 115.58 105.83 1i5o h ASN 132 Ca 0.00 -0.49 -0.11 0.00 0.71 0.00 0.00 56.30 56.41 1i5o h ASN 132 Cb 0.00 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 38.92 1i5o h ASN 132 CO 0.00 1.41 0.14 -0.90 -1.29 0.00 0.00 177.43 176.78 1i5o n ASP 133 N -3.43 -2.02 -4.70 1.15 5.68 -1.03 -5.13 116.55 107.08 1i5o n ASP 133 Ca -0.15 -2.72 -0.41 0.00 -0.50 0.00 0.00 54.79 51.01 1i5o n ASP 133 Cb 1.04 3.45 -0.04 0.00 -1.14 0.00 0.00 41.12 44.43 1i5o n ASP 133 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1i5o s ILE 134 N -2.34 4.89 -0.03 2.12 1.01 -1.26 -3.01 121.20 122.59 1i5o s ILE 134 Ca 0.21 1.80 -0.16 0.00 0.00 0.00 0.00 60.65 62.50 1i5o s ILE 134 Cb -0.04 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 1i5o s ILE 134 CO 0.15 0.11 0.42 0.00 0.00 0.00 0.00 174.94 175.62 1i5o s ALA 135 N 1.50 3.64 -0.19 9.38 0.00 -0.43 -1.60 121.76 134.07 1i5o s ALA 135 Ca 0.44 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.20 1i5o s ALA 135 Cb -0.18 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.52 1i5o s ALA 135 CO 0.19 0.36 -0.11 -0.51 0.00 0.00 0.00 175.76 175.69 1i5o s LEU 136 N -0.66 2.19 -0.22 0.00 1.43 0.07 -1.73 118.68 119.76 1i5o s LEU 136 Ca 0.24 -0.82 -0.10 0.00 -1.03 0.00 0.00 54.13 52.42 1i5o s LEU 136 Cb -0.16 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1i5o s LEU 136 CO 0.13 -0.13 0.13 -0.75 0.23 0.00 0.00 176.35 175.96 1i5o s LYS 137 N 1.40 4.08 0.28 1.70 2.20 -0.78 -0.81 119.74 127.81 1i5o s LYS 137 Ca -0.00 -0.27 -0.29 0.00 -0.36 0.00 0.00 55.97 55.04 1i5o s LYS 137 Cb -0.16 -3.45 -0.10 0.00 -1.51 0.00 0.00 37.83 32.62 1i5o s LYS 137 CO -0.09 0.15 1.28 0.00 -0.36 0.00 0.00 175.35 176.34 1i5o h LYS 139 N 4.19 0.76 0.01 0.00 3.64 -1.70 -0.60 116.57 122.87 1i5o h LYS 139 Ca -0.47 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 58.65 1i5o h LYS 139 Cb 1.22 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1i5o h LYS 139 CO 0.70 0.86 -0.00 1.88 -2.27 0.00 0.00 179.45 180.62 1i5o h TYR 140 N 0.68 -0.01 0.00 1.91 0.05 -1.92 -3.38 116.97 114.31 1i5o h TYR 140 Ca 0.11 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1i5o h TYR 140 Cb 0.62 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.36 1i5o h TYR 140 CO 0.03 -0.01 0.00 0.00 -1.05 0.00 0.00 178.16 177.14 1i5o n GLU 142 N -1.49 -7.07 -4.14 0.00 1.02 -0.23 -4.96 120.64 103.77 1i5o n GLU 142 Ca 0.06 0.85 -0.34 0.00 -0.02 0.00 0.00 57.16 57.70 1i5o n GLU 142 Cb 0.29 -5.85 -0.12 0.00 -0.02 0.00 0.00 31.44 25.75 1i5o n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1i5o s LYS 143 N -6.16 3.75 0.26 3.49 -0.14 -1.24 -4.81 119.74 114.89 1i5o s LYS 143 Ca 0.51 -0.46 -0.23 0.00 -1.36 0.00 0.00 55.97 54.43 1i5o s LYS 143 Cb -0.23 -3.09 -0.09 0.00 -1.68 0.00 0.00 37.83 32.75 1i5o s LYS 143 CO 0.63 0.15 0.83 -2.00 -0.76 0.00 0.00 175.35 174.21 1i5o s GLU 144 N 0.65 4.45 -0.02 1.68 2.12 -1.26 -0.55 118.70 125.76 1i5o s GLU 144 Ca 0.00 1.11 -0.11 0.00 0.36 0.00 0.00 54.97 56.33 1i5o s GLU 144 Cb -0.14 -2.90 0.02 0.00 0.26 0.00 0.00 34.13 31.37 1i5o s GLU 144 CO 0.02 0.37 0.24 -0.06 -0.54 0.00 0.00 175.26 175.29 1i5o s PHE 145 N -1.51 -0.12 0.01 5.30 0.40 0.01 -4.93 117.98 117.14 1i5o s PHE 145 Ca 0.45 0.19 -0.30 0.00 -0.60 0.00 0.00 56.93 56.66 1i5o s PHE 145 Cb -0.18 0.05 -0.04 0.00 0.51 0.00 0.00 43.02 43.35 1i5o s PHE 145 CO 0.23 -0.32 1.18 0.45 0.70 0.00 0.00 175.22 177.45 1i5o s SER 146 N -1.16 7.10 0.66 1.36 0.15 -1.26 -0.75 113.70 119.80 1i5o s SER 146 Ca -0.12 1.90 0.31 0.00 0.70 0.00 0.00 55.95 58.74 1i5o s SER 146 Cb -0.06 -2.57 1.69 0.00 -1.71 0.00 0.00 66.02 63.37 1i5o s SER 146 CO 0.03 -0.49 1.95 1.12 1.20 0.00 0.00 173.24 177.05 1i5o h HIS 147 N 7.04 0.00 -0.03 3.44 2.07 -1.65 0.26 115.15 126.28 1i5o h HIS 147 Ca -0.39 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.16 1i5o h HIS 147 Cb 1.20 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.13 1i5o h HIS 147 CO 0.69 0.00 -0.22 -0.91 -3.07 0.00 0.00 177.93 174.42 1i5o h ASN 148 N 0.00 -0.67 -0.09 3.10 4.21 -1.88 -1.92 115.58 118.33 1i5o h ASN 148 Ca 0.00 0.10 -0.00 0.00 1.21 0.00 0.00 56.30 57.61 1i5o h ASN 148 Cb 0.63 0.28 -0.00 0.00 -1.12 0.00 0.00 38.32 38.11 1i5o h ASN 148 CO -0.00 -0.29 0.04 0.58 -1.29 0.00 0.00 177.43 176.47 1i5o h VAL 149 N -0.34 1.13 -0.83 2.81 2.07 -0.84 -2.21 116.25 118.04 1i5o h VAL 149 Ca 0.07 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.30 1i5o h VAL 149 Cb 0.43 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 1i5o h VAL 149 CO -0.23 0.12 0.47 0.58 0.02 0.00 0.00 177.57 178.53 1i5o h VAL 150 N 0.00 0.90 -0.16 2.57 2.07 -1.33 -1.30 116.25 119.00 1i5o h VAL 150 Ca 0.03 -0.27 -0.20 0.00 0.82 0.00 0.00 66.70 67.08 1i5o h VAL 150 Cb 0.15 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1i5o h VAL 150 CO -0.00 0.14 -0.67 -0.07 0.02 0.00 0.00 177.57 176.99 1i5o h LEU 151 N 0.78 0.87 -2.97 2.57 3.38 -1.38 -3.19 115.31 115.37 1i5o h LEU 151 Ca 0.40 -0.62 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1i5o h LEU 151 Cb 0.39 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1i5o h LEU 151 CO -0.26 1.34 0.10 0.00 0.09 0.00 0.00 178.44 179.72 1i5o n ALA 152 N -2.59 4.04 -0.30 1.53 0.00 -0.55 -5.03 120.51 117.61 1i5o n ALA 152 Ca -0.07 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1i5o n ALA 152 Cb 0.69 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1i5o n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79