#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n0e n GLN 23 N 0.00 0.59 -0.22 -1.08 0.00 -1.26 -1.64 117.38 113.77 1n0e n GLN 23 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1n0e n GLN 23 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 30.24 28.94 1n0e n GLN 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n0e n GLY 24 N 0.20 0.70 0.57 1.69 0.00 -1.26 -4.90 105.19 102.19 1n0e n GLY 24 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1n0e n GLY 24 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n0e n HIS 25 N 0.00 0.00 -3.79 1.61 8.25 -0.65 -4.33 115.22 116.30 1n0e n HIS 25 Ca 0.00 -0.48 -0.18 0.00 -0.26 0.00 0.00 57.72 56.79 1n0e n HIS 25 Cb 0.51 -0.11 -0.17 0.00 1.12 0.00 0.00 29.99 31.34 1n0e n HIS 25 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1n0e s MET 26 N -1.05 0.15 -0.50 -0.41 -1.94 -1.21 -4.94 119.30 109.41 1n0e s MET 26 Ca 0.18 0.20 -0.20 0.00 -1.71 0.00 0.00 55.69 54.16 1n0e s MET 26 Cb 0.17 -0.51 0.05 0.00 2.01 0.00 0.00 34.83 36.55 1n0e s MET 26 CO -0.03 -0.23 0.64 -0.51 -0.01 0.00 0.00 175.02 174.88 1n0e s LEU 27 N 1.53 4.83 0.06 -0.03 1.43 -0.98 -4.92 118.68 120.60 1n0e s LEU 27 Ca -0.03 -0.78 0.05 0.00 -1.03 0.00 0.00 54.13 52.35 1n0e s LEU 27 Cb -0.13 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 1n0e s LEU 27 CO -0.03 -0.88 -0.15 -0.76 0.23 0.00 0.00 176.35 174.76 1n0e s LEU 28 N 2.72 2.23 0.00 1.79 1.43 -1.26 0.56 118.68 126.15 1n0e s LEU 28 Ca 0.17 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1n0e s LEU 28 Cb -0.18 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.43 1n0e s LEU 28 CO 0.13 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.32 1n0e n GLY 29 N 1.55 0.84 3.12 -3.19 0.00 -1.26 -4.62 105.19 101.63 1n0e n GLY 29 Ca -0.19 -2.23 -0.24 0.00 0.00 0.00 0.00 46.02 43.35 1n0e n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n0e s THR 30 N -1.11 1.29 -0.02 2.61 2.01 -1.26 -0.38 115.64 118.77 1n0e s THR 30 Ca 0.00 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1n0e s THR 30 Cb 0.00 -1.09 0.02 0.00 0.01 0.00 0.00 72.50 71.43 1n0e s THR 30 CO 0.00 0.37 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.91 1n0e s PHE 31 N -0.13 0.45 -0.25 4.92 0.08 0.13 -4.95 117.98 118.23 1n0e s PHE 31 Ca 0.01 -0.08 -0.08 0.00 0.12 0.00 0.00 56.93 56.90 1n0e s PHE 31 Cb -0.09 -0.42 -0.04 0.00 -0.57 0.00 0.00 43.02 41.91 1n0e s PHE 31 CO 0.01 -0.10 0.10 -0.80 -0.10 0.00 0.00 175.22 174.33 1n0e s ASN 32 N 0.60 5.42 0.24 1.36 0.01 -1.26 0.50 114.94 121.80 1n0e s ASN 32 Ca -0.07 -0.12 -0.01 0.00 -0.71 0.00 0.00 52.86 51.96 1n0e s ASN 32 Cb -0.10 -1.98 -0.03 0.00 0.41 0.00 0.00 41.25 39.55 1n0e s ASN 32 CO -0.01 -0.01 0.22 0.27 -1.51 0.00 0.00 177.10 176.06 1n0e s ILE 33 N 1.48 0.00 0.04 0.60 -4.36 -0.35 -4.99 121.20 113.62 1n0e s ILE 33 Ca 0.06 -1.91 0.03 0.00 -0.26 0.00 0.00 60.65 58.57 1n0e s ILE 33 Cb -0.15 -2.47 -0.04 0.00 1.25 0.00 0.00 42.46 41.05 1n0e s ILE 33 CO 0.05 0.00 -0.01 -0.89 0.24 0.00 0.00 174.94 174.33 1n0e s THR 34 N -3.95 4.01 -0.16 8.37 2.01 -1.26 0.13 115.64 124.78 1n0e s THR 34 Ca 0.37 -0.80 -0.26 0.00 0.31 0.00 0.00 61.69 61.32 1n0e s THR 34 Cb 0.05 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.71 1n0e s THR 34 CO 0.15 0.27 0.85 -0.22 -0.69 0.00 0.00 174.62 174.98 1n0e s LEU 35 N -1.85 4.18 1.00 4.42 2.96 -1.26 -4.67 118.68 123.46 1n0e s LEU 35 Ca 0.22 1.21 -0.14 0.00 -0.22 0.00 0.00 54.13 55.19 1n0e s LEU 35 Cb -0.12 -3.26 0.05 0.00 0.50 0.00 0.00 46.19 43.36 1n0e s LEU 35 CO 0.13 -0.40 0.27 -0.67 -1.32 0.00 0.00 176.35 174.36 1n0e n ASP 36 N 5.19 -2.25 0.25 3.68 2.03 0.18 -4.85 116.55 120.78 1n0e n ASP 36 Ca 0.05 0.20 0.15 0.00 0.52 0.00 0.00 54.79 55.70 1n0e n ASP 36 Cb 0.49 -1.13 0.48 0.00 -0.72 0.00 0.00 41.12 40.24 1n0e n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n0e h ALA 37 N -1.69 0.99 -0.52 -1.67 0.00 -1.95 -2.34 119.26 112.08 1n0e h ALA 37 Ca -0.46 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1n0e h ALA 37 Cb 1.30 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1n0e h ALA 37 CO 0.35 0.04 0.05 1.63 0.00 0.00 0.00 179.25 181.32 1n0e n LYS 38 N -3.12 4.07 -3.37 0.00 5.02 -1.26 -4.94 118.16 114.56 1n0e n LYS 38 Ca 0.02 -3.07 -0.19 0.00 -2.02 0.00 0.00 58.31 53.05 1n0e n LYS 38 Cb 0.40 -2.14 0.07 0.00 -0.02 0.00 0.00 35.03 33.34 1n0e n LYS 38 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1n0e n ASN 39 N 0.11 -4.76 -4.46 4.39 5.03 -0.88 -4.82 115.26 109.87 1n0e n ASN 39 Ca 0.29 -0.47 -0.23 0.00 0.87 0.00 0.00 54.58 55.04 1n0e n ASN 39 Cb 1.16 -4.33 -0.10 0.00 -1.02 0.00 0.00 39.78 35.48 1n0e n ASN 39 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1n0e s ARG 40 N -5.86 1.63 -0.00 3.52 0.52 -1.26 -0.83 118.95 116.67 1n0e s ARG 40 Ca 0.37 -1.77 0.04 0.00 -0.52 0.00 0.00 55.73 53.85 1n0e s ARG 40 Cb -0.16 -1.61 -0.01 0.00 0.52 0.00 0.00 34.95 33.68 1n0e s ARG 40 CO 0.61 0.26 -0.12 0.96 0.02 0.00 0.00 175.30 177.03 1n0e s ILE 41 N -2.63 0.97 -0.24 1.52 -4.36 0.02 0.49 121.20 116.97 1n0e s ILE 41 Ca 0.29 -0.59 -0.18 0.00 -0.26 0.00 0.00 60.65 59.91 1n0e s ILE 41 Cb -0.03 -0.82 -0.03 0.00 1.25 0.00 0.00 42.46 42.83 1n0e s ILE 41 CO 0.14 0.23 0.53 -0.44 0.24 0.00 0.00 174.94 175.64 1n0e s SER 42 N -0.41 6.49 0.09 4.36 0.01 -1.26 -0.11 113.70 122.87 1n0e s SER 42 Ca 0.04 0.59 -0.31 0.00 1.31 0.00 0.00 55.95 57.58 1n0e s SER 42 Cb -0.05 -2.29 -0.09 0.00 0.21 0.00 0.00 66.02 63.80 1n0e s SER 42 CO -0.00 -0.27 1.72 -0.76 0.41 0.00 0.00 173.24 174.33 1n0e s LEU 43 N 2.16 4.38 0.05 2.44 1.43 0.22 -4.88 118.68 124.49 1n0e s LEU 43 Ca 0.23 2.59 -0.11 0.00 -1.03 0.00 0.00 54.13 55.81 1n0e s LEU 43 Cb -0.16 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1n0e s LEU 43 CO 0.09 -0.93 0.59 -2.65 0.23 0.00 0.00 176.35 173.69 1n0e n PRO 44 N 5.57 -0.15 0.00 1.29 -0.02 -1.26 -4.59 135.00 135.83 1n0e n PRO 44 Ca 0.16 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1n0e n PRO 44 Cb 0.40 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 33.01 1n0e n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n0e n ALA 45 N -3.49 0.00 0.28 3.55 0.00 -1.26 -4.84 120.51 114.75 1n0e n ALA 45 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.62 1n0e n ALA 45 Cb 0.09 0.00 0.94 0.00 0.00 0.00 0.00 19.45 20.48 1n0e n ALA 45 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1n0e h LYS 46 N 0.00 0.00 0.08 0.00 1.57 -2.02 -2.18 116.57 114.01 1n0e h LYS 46 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1n0e h LYS 46 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1n0e h LYS 46 CO 0.00 0.00 -1.08 -0.07 -0.57 0.00 0.00 179.45 177.73 1n0e h LEU 47 N 0.00 0.25 -0.96 2.94 4.07 -1.89 -3.37 115.31 116.35 1n0e h LEU 47 Ca 0.03 -0.82 0.31 0.00 0.08 0.00 0.00 57.88 57.48 1n0e h LEU 47 Cb 0.22 -0.08 -0.16 0.00 1.08 0.00 0.00 40.66 41.72 1n0e h LEU 47 CO -0.00 1.47 0.41 0.03 -1.08 0.00 0.00 178.44 179.27 1n0e h ARG 48 N -0.56 0.20 -0.53 1.13 3.08 -1.65 0.18 114.38 116.23 1n0e h ARG 48 Ca -0.24 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.90 1n0e h ARG 48 Cb 1.53 -0.05 -0.11 0.00 0.08 0.00 0.00 29.97 31.43 1n0e h ARG 48 CO 0.01 0.13 -0.24 0.00 -1.07 0.00 0.00 179.97 178.80 1n0e h ALA 49 N 1.87 0.12 -0.83 0.04 0.00 -1.69 -1.97 119.26 116.80 1n0e h ALA 49 Ca 0.68 0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.89 1n0e h ALA 49 Cb 1.55 0.60 -0.08 0.00 0.00 0.00 0.00 17.79 19.86 1n0e h ALA 49 CO -0.68 -0.57 0.45 0.35 0.00 0.00 0.00 179.25 178.80 1n0e h PHE 50 N -0.12 0.80 -3.41 0.00 3.57 -0.83 -3.43 116.94 113.52 1n0e h PHE 50 Ca 0.24 0.03 -0.52 0.00 3.53 0.00 0.00 57.97 61.25 1n0e h PHE 50 Cb 0.50 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1n0e h PHE 50 CO -0.53 0.27 -0.08 -0.06 -2.23 0.00 0.00 178.31 175.67 1n0e s PHE 51 N -6.01 3.44 0.00 0.41 0.08 -0.74 -5.01 117.98 110.16 1n0e s PHE 51 Ca -0.12 0.84 0.00 0.00 0.12 0.00 0.00 56.93 57.77 1n0e s PHE 51 Cb 0.20 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.40 1n0e s PHE 51 CO 0.78 0.18 0.00 -1.91 -0.10 0.00 0.00 175.22 174.17 1n0e n GLU 52 N -0.55 1.34 -0.17 0.44 4.07 -1.26 -4.93 120.64 119.58 1n0e n GLU 52 Ca 0.00 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.21 1n0e n GLU 52 Cb 0.53 0.00 0.20 0.00 -0.06 0.00 0.00 31.44 32.11 1n0e n GLU 52 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n0e n GLY 53 N 5.00 1.65 3.19 8.31 0.00 -1.26 -4.80 105.19 117.29 1n0e n GLY 53 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 1n0e n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n0e s SER 54 N -1.44 -0.12 0.15 1.61 0.15 -1.26 -0.87 113.70 111.91 1n0e s SER 54 Ca 0.36 0.01 -0.02 0.00 0.70 0.00 0.00 55.95 57.00 1n0e s SER 54 Cb 0.21 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1n0e s SER 54 CO 0.30 -0.40 0.10 0.27 1.20 0.00 0.00 173.24 174.70 1n0e s ILE 55 N -1.26 0.08 -0.09 6.45 -5.25 -0.24 -4.45 121.20 116.43 1n0e s ILE 55 Ca -0.13 -1.87 0.01 0.00 -0.99 0.00 0.00 60.65 57.68 1n0e s ILE 55 Cb -0.06 -2.10 -0.02 0.00 2.95 0.00 0.00 42.46 43.23 1n0e s ILE 55 CO 0.03 -0.37 -0.13 -0.69 -1.79 0.00 0.00 174.94 171.99 1n0e s VAL 56 N -4.06 3.10 -0.10 8.37 1.01 -0.25 -0.83 120.40 127.65 1n0e s VAL 56 Ca 0.26 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1n0e s VAL 56 Cb 0.07 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1n0e s VAL 56 CO 0.03 0.55 -0.23 0.00 0.00 0.00 0.00 175.10 175.46 1n0e n ILE 57 N 2.97 1.21 -1.32 2.22 3.06 -0.40 -1.65 119.36 125.45 1n0e n ILE 57 Ca -0.18 0.23 0.00 0.00 -2.50 0.00 0.00 62.75 60.30 1n0e n ILE 57 Cb 0.52 -2.06 0.00 0.00 0.54 0.00 0.00 39.64 38.64 1n0e n ILE 57 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1n0e n ASN 58 N -3.98 -4.46 -4.77 9.51 0.23 -1.22 -2.88 115.26 107.70 1n0e n ASN 58 Ca -0.09 0.97 -0.38 0.00 -0.53 0.00 0.00 54.58 54.54 1n0e n ASN 58 Cb 0.34 -3.42 -0.06 0.00 -2.08 0.00 0.00 39.78 34.57 1n0e n ASN 58 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n0e s ARG 59 N -4.65 4.58 0.00 -3.83 1.70 -1.25 -1.37 118.95 114.13 1n0e s ARG 59 Ca 0.00 1.48 0.00 0.00 -0.47 0.00 0.00 55.73 56.74 1n0e s ARG 59 Cb 0.00 -2.93 0.00 0.00 -0.57 0.00 0.00 34.95 31.45 1n0e s ARG 59 CO 0.00 0.25 0.00 0.41 -1.08 0.00 0.00 175.30 174.88 1n0e n GLY 60 N 0.84 2.32 3.89 3.88 0.00 -1.26 -4.66 105.19 110.19 1n0e n GLY 60 Ca 0.01 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 1n0e n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n0e s PHE 61 N 1.32 3.46 -1.61 1.61 0.08 -1.26 -4.12 117.98 117.46 1n0e s PHE 61 Ca 0.00 0.73 0.00 0.00 0.12 0.00 0.00 56.93 57.78 1n0e s PHE 61 Cb 0.00 -2.17 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 1n0e s PHE 61 CO 0.00 0.19 0.00 0.39 -0.10 0.00 0.00 175.22 175.70 1n0e n GLU 62 N -0.70 -1.47 -3.05 0.44 4.71 -1.26 -3.50 120.64 115.82 1n0e n GLU 62 Ca -0.01 0.91 -0.11 0.00 -0.01 0.00 0.00 57.16 57.95 1n0e n GLU 62 Cb 0.53 -5.43 0.05 0.00 -1.01 0.00 0.00 31.44 25.58 1n0e n GLU 62 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1n0e n ASN 63 N -1.51 -6.47 0.00 1.62 3.02 -1.26 -5.01 115.26 105.66 1n0e n ASN 63 Ca -0.22 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 1n0e n ASN 63 Cb 0.66 -4.81 0.00 0.00 -0.61 0.00 0.00 39.78 35.02 1n0e n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n0e n LEU 65 N -0.49 -4.97 -4.68 0.00 4.32 -1.26 -2.14 117.00 107.77 1n0e n LEU 65 Ca 0.00 2.32 -0.28 0.00 -0.02 0.00 0.00 56.01 58.03 1n0e n LEU 65 Cb 0.00 -2.36 -0.08 0.00 -1.62 0.00 0.00 43.42 39.36 1n0e n LEU 65 CO 0.00 -1.02 -0.32 -1.61 -1.22 0.00 0.00 177.39 173.22 1n0e s GLU 66 N -1.72 2.50 -0.04 3.23 2.02 -0.47 -1.61 118.70 122.60 1n0e s GLU 66 Ca 0.00 -0.98 0.01 0.00 0.02 0.00 0.00 54.97 54.03 1n0e s GLU 66 Cb 0.00 -2.45 0.02 0.00 0.10 0.00 0.00 34.13 31.79 1n0e s GLU 66 CO 0.00 0.49 -0.06 0.08 0.02 0.00 0.00 175.26 175.79 1n0e s VAL 67 N -1.55 0.62 0.14 2.63 1.01 0.18 -4.12 120.40 119.30 1n0e s VAL 67 Ca 0.27 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 1n0e s VAL 67 Cb -0.10 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1n0e s VAL 67 CO 0.19 0.23 0.13 -0.13 0.00 0.00 0.00 175.10 175.52 1n0e s ARG 68 N 0.73 1.00 0.27 2.72 0.52 -0.66 -0.91 118.95 122.61 1n0e s ARG 68 Ca -0.10 -1.35 -0.26 0.00 -0.52 0.00 0.00 55.73 53.50 1n0e s ARG 68 Cb -0.13 0.29 -0.09 0.00 0.52 0.00 0.00 34.95 35.53 1n0e s ARG 68 CO 0.01 -0.31 0.88 0.15 0.02 0.00 0.00 175.30 176.05 1n0e s LYS 69 N -4.02 4.57 0.36 3.54 1.02 -1.26 -1.09 119.74 122.86 1n0e s LYS 69 Ca 0.22 1.26 0.16 0.00 0.02 0.00 0.00 55.97 57.62 1n0e s LYS 69 Cb 0.06 -2.96 1.08 0.00 -0.52 0.00 0.00 37.83 35.49 1n0e s LYS 69 CO 0.01 0.38 1.70 -1.35 -0.92 0.00 0.00 175.35 175.17 1n0e h PRO 70 N 3.54 0.37 -0.72 -1.68 0.11 -1.90 0.21 132.00 131.93 1n0e h PRO 70 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1n0e h PRO 70 Cb 1.20 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1n0e h PRO 70 CO 0.66 0.24 0.38 1.96 -0.21 0.00 0.00 178.00 181.03 1n0e h GLN 71 N 0.38 1.01 0.00 1.05 7.50 -1.97 -0.07 115.11 123.01 1n0e h GLN 71 Ca 0.69 -0.13 -0.10 0.00 0.50 0.00 0.00 58.65 59.61 1n0e h GLN 71 Cb 1.63 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 28.95 1n0e h GLN 71 CO -0.47 0.77 -0.48 -0.44 -1.50 0.00 0.00 178.83 176.71 1n0e h ASP 72 N 0.99 0.00 -0.15 1.46 3.32 -1.02 -2.06 116.42 118.96 1n0e h ASP 72 Ca 0.25 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.17 1n0e h ASP 72 Cb 0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1n0e h ASP 72 CO -0.04 0.48 -0.34 0.15 -1.72 0.00 0.00 179.24 177.77 1n0e h PHE 73 N 0.00 0.77 -0.11 4.55 3.57 -0.42 -0.02 116.94 125.28 1n0e h PHE 73 Ca -0.00 -0.20 0.03 0.00 3.53 0.00 0.00 57.97 61.32 1n0e h PHE 73 Cb 0.86 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 1n0e h PHE 73 CO 0.00 0.91 -0.08 0.37 -2.23 0.00 0.00 178.31 177.28 1n0e h GLN 74 N 0.56 -0.08 -0.23 1.11 5.75 -0.37 0.28 115.11 122.14 1n0e h GLN 74 Ca 0.06 0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.46 1n0e h GLN 74 Cb 0.84 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 1n0e h GLN 74 CO 0.07 -0.05 -0.31 0.87 -2.65 0.00 0.00 178.83 176.76 1n0e h LYS 75 N -0.08 0.46 -0.62 1.69 1.57 -1.20 -2.33 116.57 116.05 1n0e h LYS 75 Ca 0.07 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1n0e h LYS 75 Cb 0.18 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1n0e h LYS 75 CO -0.16 0.73 0.31 -0.92 -0.57 0.00 0.00 179.45 178.83 1n0e h TYR 76 N 0.40 0.89 -0.77 -1.35 3.20 -0.38 -2.63 116.97 116.33 1n0e h TYR 76 Ca 0.05 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1n0e h TYR 76 Cb 0.75 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1n0e h TYR 76 CO 0.02 0.67 0.29 0.35 -1.64 0.00 0.00 178.16 177.85 1n0e h PHE 77 N 0.85 1.19 0.00 -3.82 3.57 -0.70 -1.46 116.94 116.57 1n0e h PHE 77 Ca 0.22 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1n0e h PHE 77 Cb 0.10 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1n0e h PHE 77 CO -0.00 0.91 0.00 0.93 -2.23 0.00 0.00 178.31 177.92 1n0e h GLU 78 N 1.13 0.00 0.00 1.11 5.08 -1.06 0.22 114.58 121.07 1n0e h GLU 78 Ca 0.26 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1n0e h GLU 78 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1n0e h GLU 78 CO -0.02 0.00 -0.36 1.96 -1.00 0.00 0.00 179.01 179.59 1n0e h GLN 79 N 0.00 0.00 0.00 2.33 4.20 -1.07 -3.35 115.11 117.22 1n0e h GLN 79 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n0e h GLN 79 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1n0e h GLN 79 CO 0.00 0.16 -0.00 0.74 -0.67 0.00 0.00 178.83 179.06 1n0e h PHE 80 N 0.00 -0.00 0.00 2.96 0.04 -0.55 -3.31 116.94 116.09 1n0e h PHE 80 Ca -0.01 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1n0e h PHE 80 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1n0e h PHE 80 CO 0.00 0.93 0.11 0.09 -0.60 0.00 0.00 178.31 178.85 1n0e n ASN 81 N -4.63 0.01 0.00 2.17 4.13 -1.00 0.18 115.26 116.11 1n0e n ASN 81 Ca -0.10 0.39 0.11 0.00 1.68 0.00 0.00 54.58 56.66 1n0e n ASN 81 Cb 0.45 -0.39 0.53 0.00 -1.54 0.00 0.00 39.78 38.82 1n0e n ASN 81 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1n0e n SER 82 N -1.41 0.00 -4.76 6.41 3.41 -1.24 -4.62 113.62 111.41 1n0e n SER 82 Ca -0.00 0.10 -0.37 0.00 -0.26 0.00 0.00 58.87 58.34 1n0e n SER 82 Cb 0.11 -0.34 -0.06 0.00 -0.26 0.00 0.00 64.21 63.66 1n0e n SER 82 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1n0e s PHE 83 N -2.68 3.55 0.00 7.33 0.08 0.47 -5.02 117.98 121.71 1n0e s PHE 83 Ca 0.18 0.77 0.00 0.00 0.12 0.00 0.00 56.93 58.00 1n0e s PHE 83 Cb 0.14 -2.36 0.00 0.00 -0.57 0.00 0.00 43.02 40.23 1n0e s PHE 83 CO 0.35 0.35 0.07 -2.30 -0.10 0.00 0.00 175.22 173.59 1n0e n PRO 84 N 3.06 0.00 0.00 0.24 -0.02 -1.26 -4.82 135.00 132.20 1n0e n PRO 84 Ca -0.12 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1n0e n PRO 84 Cb 0.52 -0.10 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 1n0e n PRO 84 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1n0e n SER 85 N -2.04 0.00 0.01 2.55 2.88 -1.26 -4.64 113.62 111.12 1n0e n SER 85 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1n0e n SER 85 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1n0e n SER 85 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1n0e n THR 86 N -2.00 0.09 -3.05 2.46 -2.24 -1.26 -4.70 114.28 103.59 1n0e n THR 86 Ca 0.00 -0.15 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 1n0e n THR 86 Cb 0.00 0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 68.57 1n0e n THR 86 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1n0e s GLN 87 N -3.13 4.39 0.23 -0.78 -1.52 -1.26 -4.97 119.66 112.62 1n0e s GLN 87 Ca 0.06 0.84 -0.06 0.00 -1.95 0.00 0.00 55.36 54.25 1n0e s GLN 87 Cb 0.15 -3.48 0.40 0.00 -0.22 0.00 0.00 33.01 29.86 1n0e s GLN 87 CO 0.80 -0.01 1.73 -0.22 -0.25 0.00 0.00 175.29 177.33 1n0e h LYS 88 N 6.91 0.39 -1.01 2.91 3.64 -2.00 -1.56 116.57 125.84 1n0e h LYS 88 Ca -0.38 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.03 1n0e h LYS 88 Cb 1.18 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.85 1n0e h LYS 88 CO 0.77 0.26 0.65 -0.44 -2.27 0.00 0.00 179.45 178.41 1n0e h ASP 89 N 0.40 1.06 -0.72 4.20 3.32 -1.97 -0.94 116.42 121.76 1n0e h ASP 89 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1n0e h ASP 89 Cb 0.56 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1n0e h ASP 89 CO -0.39 0.69 0.46 0.74 -1.72 0.00 0.00 179.24 179.02 1n0e h THR 90 N 1.21 1.19 -0.49 0.35 2.02 -1.66 0.98 112.91 116.51 1n0e h THR 90 Ca 0.43 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 1n0e h THR 90 Cb 0.12 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 1n0e h THR 90 CO -0.16 0.19 -0.04 0.03 0.37 0.00 0.00 175.52 175.91 1n0e h ARG 91 N 0.98 0.85 -0.20 6.66 3.08 -1.05 -1.31 114.38 123.38 1n0e h ARG 91 Ca 0.26 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1n0e h ARG 91 Cb -0.09 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1n0e h ARG 91 CO -0.05 0.87 -0.06 1.15 -1.07 0.00 0.00 179.97 180.80 1n0e h THR 92 N 0.78 1.29 0.11 2.04 2.02 -0.67 -1.08 112.91 117.40 1n0e h THR 92 Ca 0.14 -1.08 0.02 0.00 0.77 0.00 0.00 66.41 66.27 1n0e h THR 92 Cb 0.52 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 1n0e h THR 92 CO 0.03 0.33 -0.31 0.25 0.37 0.00 0.00 175.52 176.18 1n0e h LEU 93 N 0.11 -0.90 -0.90 2.58 5.85 -0.62 0.19 115.31 121.63 1n0e h LEU 93 Ca 0.05 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1n0e h LEU 93 Cb 0.53 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 1n0e h LEU 93 CO 0.02 -0.40 0.58 0.11 -0.34 0.00 0.00 178.44 178.41 1n0e h LYS 94 N -0.53 1.08 -0.36 1.25 1.57 -1.24 -1.15 116.57 117.18 1n0e h LYS 94 Ca 0.03 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 1n0e h LYS 94 Cb 0.56 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1n0e h LYS 94 CO -0.19 0.71 -0.35 0.00 -0.57 0.00 0.00 179.45 179.05 1n0e h ARG 95 N 1.11 0.83 -0.38 3.15 3.08 -0.61 -0.62 114.38 120.94 1n0e h ARG 95 Ca 0.36 -0.41 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1n0e h ARG 95 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1n0e h ARG 95 CO -0.13 1.05 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.67 1n0e h LEU 96 N 0.69 0.63 0.09 3.04 3.38 -0.25 -2.09 115.31 120.81 1n0e h LEU 96 Ca 0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1n0e h LEU 96 Cb 0.91 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1n0e h LEU 96 CO 0.08 0.76 -0.04 0.40 0.09 0.00 0.00 178.44 179.73 1n0e h ILE 97 N 0.60 0.00 0.00 1.22 2.04 -1.06 -3.36 117.51 116.94 1n0e h ILE 97 Ca 0.11 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1n0e h ILE 97 Cb 0.51 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1n0e h ILE 97 CO 0.03 0.00 0.00 -0.26 0.00 0.00 0.00 178.15 177.92 1n0e h PHE 98 N -0.73 0.00 0.00 1.37 0.04 -1.22 -2.66 116.94 113.74 1n0e h PHE 98 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1n0e h PHE 98 Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1n0e h PHE 98 CO 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.72 1n0e n ALA 99 N -2.07 2.13 -0.99 2.45 0.00 -0.78 -2.80 120.51 118.45 1n0e n ALA 99 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1n0e n ALA 99 Cb 0.28 -1.42 0.11 0.00 0.00 0.00 0.00 19.45 18.42 1n0e n ALA 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n0e n ASN 100 N -1.81 2.10 -4.89 0.00 3.02 -1.01 -5.02 115.26 107.65 1n0e n ASN 100 Ca 0.05 -2.84 -0.34 0.00 -0.03 0.00 0.00 54.58 51.43 1n0e n ASN 100 Cb 0.33 -0.35 -0.05 0.00 -0.61 0.00 0.00 39.78 39.10 1n0e n ASN 100 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n0e s ALA 101 N -2.38 3.84 0.10 5.41 0.00 -1.12 -3.44 121.76 124.17 1n0e s ALA 101 Ca 0.25 -0.57 -0.14 0.00 0.00 0.00 0.00 51.96 51.50 1n0e s ALA 101 Cb 0.22 -2.08 0.02 0.00 0.00 0.00 0.00 23.12 21.28 1n0e s ALA 101 CO 0.02 0.66 0.33 -0.80 0.00 0.00 0.00 175.76 175.97 1n0e s ASN 102 N -1.84 -0.12 0.04 0.00 -0.87 -1.26 -4.81 114.94 106.08 1n0e s ASN 102 Ca 0.30 -0.37 -0.15 0.00 -1.57 0.00 0.00 52.86 51.08 1n0e s ASN 102 Cb -0.13 0.41 -0.06 0.00 -0.02 0.00 0.00 41.25 41.45 1n0e s ASN 102 CO 0.18 -0.77 0.44 -0.36 -2.57 0.00 0.00 177.10 174.03 1n0e s PHE 103 N -3.52 3.71 -0.03 2.20 0.08 -1.26 -1.27 117.98 117.89 1n0e s PHE 103 Ca 0.02 1.01 -0.01 0.00 0.12 0.00 0.00 56.93 58.07 1n0e s PHE 103 Cb 0.02 -2.31 0.03 0.00 -0.57 0.00 0.00 43.02 40.19 1n0e s PHE 103 CO -0.10 0.60 0.05 0.08 -0.10 0.00 0.00 175.22 175.76 1n0e s VAL 104 N -1.16 -0.07 0.21 -0.44 1.01 -0.01 -4.97 120.40 114.96 1n0e s VAL 104 Ca 0.27 0.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 1n0e s VAL 104 Cb -0.17 -0.12 -0.08 0.00 0.00 0.00 0.00 36.38 36.02 1n0e s VAL 104 CO 0.15 0.10 0.92 -1.81 0.00 0.00 0.00 175.10 174.47 1n0e s ASP 105 N 1.29 7.59 -0.31 3.32 1.01 -1.26 -1.08 116.67 127.22 1n0e s ASP 105 Ca -0.07 1.88 -0.22 0.00 0.71 0.00 0.00 52.55 54.86 1n0e s ASP 105 Cb -0.13 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.21 1n0e s ASP 105 CO -0.03 0.12 0.69 -0.69 0.21 0.00 0.00 175.17 175.47 1n0e s VAL 106 N -0.95 4.87 1.16 -1.27 1.01 -0.05 -4.59 120.40 120.58 1n0e s VAL 106 Ca 0.41 0.94 -0.17 0.00 0.00 0.00 0.00 61.98 63.17 1n0e s VAL 106 Cb -0.25 -4.07 0.27 0.00 0.00 0.00 0.00 36.38 32.32 1n0e s VAL 106 CO 0.31 -0.22 1.07 1.51 0.00 0.00 0.00 175.10 177.78 1n0e s ASP 107 N 1.66 1.23 0.47 3.32 3.84 -0.43 -4.81 116.67 121.95 1n0e s ASP 107 Ca 0.28 0.92 0.23 0.00 -0.00 0.00 0.00 52.55 53.99 1n0e s ASP 107 Cb -0.14 -1.39 1.25 0.00 -1.38 0.00 0.00 42.92 41.26 1n0e s ASP 107 CO 0.13 -3.97 1.86 0.71 -0.00 0.00 0.00 175.17 173.90 1n0e h THR 108 N -2.47 0.61 -0.23 2.11 1.35 -1.96 -0.03 112.91 112.29 1n0e h THR 108 Ca -0.50 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1n0e h THR 108 Cb 1.32 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1n0e h THR 108 CO 0.43 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 175.75 1n0e n ALA 109 N -2.59 2.48 -1.00 6.62 0.00 -1.26 -4.89 120.51 119.86 1n0e n ALA 109 Ca 0.19 -0.45 -0.00 0.00 0.00 0.00 0.00 53.44 53.18 1n0e n ALA 109 Cb 0.82 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.25 1n0e n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n0e n GLY 110 N 0.95 0.46 3.87 0.00 0.00 -0.02 -4.80 105.19 105.64 1n0e n GLY 110 Ca 0.10 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1n0e n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n0e s ARG 111 N -0.31 3.85 -0.06 1.61 0.52 -1.26 -0.61 118.95 122.69 1n0e s ARG 111 Ca 0.00 0.52 0.01 0.00 -0.52 0.00 0.00 55.73 55.75 1n0e s ARG 111 Cb 0.00 -2.41 0.02 0.00 0.52 0.00 0.00 34.95 33.08 1n0e s ARG 111 CO 0.00 0.03 -0.09 0.08 0.02 0.00 0.00 175.30 175.34 1n0e s VAL 112 N -2.24 0.91 -0.32 3.52 1.01 0.85 -1.31 120.40 122.81 1n0e s VAL 112 Ca 0.52 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 1n0e s VAL 112 Cb -0.10 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 1n0e s VAL 112 CO 0.27 0.31 0.67 -0.22 0.00 0.00 0.00 175.10 176.13 1n0e s LEU 113 N 0.89 4.15 -0.19 3.92 0.20 -1.26 -0.80 118.68 125.60 1n0e s LEU 113 Ca -0.11 0.42 -0.21 0.00 0.69 0.00 0.00 54.13 54.92 1n0e s LEU 113 Cb -0.15 -2.87 -0.03 0.00 -0.43 0.00 0.00 46.19 42.72 1n0e s LEU 113 CO 0.01 -0.53 0.64 -0.63 -0.29 0.00 0.00 176.35 175.55 1n0e s ILE 114 N 2.71 5.02 0.53 6.68 1.01 -0.01 -4.99 121.20 132.16 1n0e s ILE 114 Ca 0.27 1.22 -0.20 0.00 0.00 0.00 0.00 60.65 61.94 1n0e s ILE 114 Cb -0.15 -3.96 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 1n0e s ILE 114 CO 0.13 0.12 0.82 -2.65 0.00 0.00 0.00 174.94 173.36 1n0e n PRO 115 N 4.94 0.88 0.02 2.79 -0.02 -1.26 -4.70 135.00 137.65 1n0e n PRO 115 Ca -0.01 0.33 -0.10 0.00 -2.02 0.00 0.00 63.50 61.70 1n0e n PRO 115 Cb 0.50 -1.96 -0.04 0.00 -0.02 0.00 0.00 33.50 31.98 1n0e n PRO 115 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1n0e h ASN 116 N 0.71 -0.82 -0.74 2.55 2.35 -1.97 -0.06 115.58 117.60 1n0e h ASN 116 Ca -0.46 0.12 0.15 0.00 -0.55 0.00 0.00 56.30 55.56 1n0e h ASN 116 Cb 1.37 0.35 -0.10 0.00 0.05 0.00 0.00 38.32 39.99 1n0e h ASN 116 CO 0.51 -0.32 0.26 -0.55 -1.65 0.00 0.00 177.43 175.69 1n0e h ASN 117 N -0.36 0.20 -0.37 5.81 -0.00 -2.00 -1.50 115.58 117.36 1n0e h ASN 117 Ca 0.09 0.12 -0.15 0.00 -0.00 0.00 0.00 56.30 56.36 1n0e h ASN 117 Cb 0.49 0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.92 1n0e h ASN 117 CO -0.30 0.06 -0.35 -0.07 -0.00 0.00 0.00 177.43 176.77 1n0e h LEU 118 N 0.39 0.96 -0.67 6.14 4.07 -1.77 -0.90 115.31 123.53 1n0e h LEU 118 Ca 0.41 -0.46 0.10 0.00 0.08 0.00 0.00 57.88 58.01 1n0e h LEU 118 Cb 0.65 -0.27 -0.07 0.00 1.08 0.00 0.00 40.66 42.04 1n0e h LEU 118 CO -0.43 1.22 0.30 0.40 -1.08 0.00 0.00 178.44 178.85 1n0e h ILE 119 N 0.71 0.80 -0.15 1.22 1.08 -0.07 -0.99 117.51 120.10 1n0e h ILE 119 Ca 0.06 -0.17 -0.05 0.00 -0.39 0.00 0.00 64.86 64.31 1n0e h ILE 119 Cb 0.94 0.25 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1n0e h ILE 119 CO 0.09 0.09 -0.10 0.78 -0.69 0.00 0.00 178.15 178.32 1n0e h ASN 120 N 0.51 0.36 -0.97 1.72 2.35 -1.15 0.71 115.58 119.10 1n0e h ASN 120 Ca 0.34 -0.44 0.11 0.00 -0.55 0.00 0.00 56.30 55.75 1n0e h ASN 120 Cb 0.39 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 38.59 1n0e h ASN 120 CO -0.29 0.72 0.62 0.44 -1.65 0.00 0.00 177.43 177.27 1n0e h ASP 121 N -0.01 0.89 -0.54 5.81 3.32 -0.66 -1.16 116.42 124.07 1n0e h ASP 121 Ca 0.03 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1n0e h ASP 121 Cb 0.60 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1n0e h ASP 121 CO 0.03 0.50 0.00 0.00 -1.72 0.00 0.00 179.24 178.04 1n0e n ALA 122 N -2.37 2.41 -4.09 3.45 0.00 -0.42 -4.81 120.51 114.69 1n0e n ALA 122 Ca 0.17 -1.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.29 1n0e n ALA 122 Cb 0.33 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 1n0e n ALA 122 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n0e n LYS 123 N 1.21 -4.05 -2.42 0.00 4.76 -0.44 -4.34 118.16 112.88 1n0e n LYS 123 Ca 0.20 0.46 -0.42 0.00 -2.87 0.00 0.00 58.31 55.67 1n0e n LYS 123 Cb 0.50 -5.20 -0.03 0.00 -1.84 0.00 0.00 35.03 28.46 1n0e n LYS 123 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1n0e s LEU 124 N -7.25 4.36 0.00 -0.35 1.02 0.17 -4.80 118.68 111.83 1n0e s LEU 124 Ca 0.65 2.00 0.00 0.00 0.02 0.00 0.00 54.13 56.80 1n0e s LEU 124 Cb -0.35 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.29 1n0e s LEU 124 CO 0.89 -0.49 0.00 -0.67 0.02 0.00 0.00 176.35 176.10 1n0e n ASP 125 N 4.09 0.00 -3.72 2.29 2.03 -1.26 -4.81 116.55 115.17 1n0e n ASP 125 Ca 0.09 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.28 1n0e n ASP 125 Cb 0.46 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.75 1n0e n ASP 125 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1n0e s LYS 126 N -0.07 0.40 0.00 -0.67 2.20 -1.26 -4.64 119.74 115.70 1n0e s LYS 126 Ca 0.00 0.63 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 1n0e s LYS 126 Cb 0.00 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 1n0e s LYS 126 CO 0.00 -0.10 0.00 0.39 -0.36 0.00 0.00 175.35 175.28 1n0e n GLU 127 N 3.55 0.00 -4.27 4.03 1.02 -1.26 -4.82 120.64 118.89 1n0e n GLU 127 Ca -0.18 0.33 -0.26 0.00 -0.02 0.00 0.00 57.16 57.03 1n0e n GLU 127 Cb 0.56 -0.66 -0.08 0.00 -0.02 0.00 0.00 31.44 31.24 1n0e n GLU 127 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1n0e s ILE 128 N 0.00 3.40 -0.11 -3.67 -1.09 0.34 -2.01 121.20 118.05 1n0e s ILE 128 Ca 0.00 -1.66 0.01 0.00 -2.23 0.00 0.00 60.65 56.77 1n0e s ILE 128 Cb 0.00 -2.72 0.02 0.00 -1.58 0.00 0.00 42.46 38.17 1n0e s ILE 128 CO 0.00 -0.18 -0.13 -0.69 -1.23 0.00 0.00 174.94 172.72 1n0e s VAL 129 N -1.87 1.37 -0.23 2.92 1.01 0.27 -1.21 120.40 122.66 1n0e s VAL 129 Ca 0.27 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1n0e s VAL 129 Cb -0.08 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1n0e s VAL 129 CO 0.17 0.42 0.08 -0.76 0.00 0.00 0.00 175.10 175.01 1n0e s LEU 130 N 1.24 3.64 -0.09 3.92 1.43 0.18 -0.44 118.68 128.55 1n0e s LEU 130 Ca -0.02 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1n0e s LEU 130 Cb -0.14 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1n0e s LEU 130 CO -0.05 0.04 -0.22 0.27 0.23 0.00 0.00 176.35 176.62 1n0e s ILE 131 N 1.18 2.25 0.07 -0.59 -4.36 -0.73 0.21 121.20 119.24 1n0e s ILE 131 Ca 0.05 -0.96 -0.30 0.00 -0.26 0.00 0.00 60.65 59.18 1n0e s ILE 131 Cb -0.14 -1.86 -0.05 0.00 1.25 0.00 0.00 42.46 41.65 1n0e s ILE 131 CO 0.04 0.56 0.96 -0.83 0.24 0.00 0.00 174.94 175.90 1n0e s GLY 132 N 0.21 2.97 -0.25 6.27 0.00 0.49 -1.44 107.32 115.56 1n0e s GLY 132 Ca -0.14 0.55 0.09 0.00 0.00 0.00 0.00 44.72 45.23 1n0e s GLY 132 CO 0.07 1.51 1.23 -1.06 0.00 0.00 0.00 173.10 174.85 1n0e n GLN 133 N 3.11 2.30 0.00 2.90 1.13 0.44 -4.33 117.38 122.94 1n0e n GLN 133 Ca 0.03 -3.59 0.00 0.00 -1.94 0.00 0.00 57.00 51.50 1n0e n GLN 133 Cb 0.50 -1.86 0.00 0.00 0.11 0.00 0.00 30.24 28.99 1n0e n GLN 133 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1n0e n PHE 134 N -0.98 0.00 -0.08 1.08 7.35 0.19 -3.56 117.46 121.47 1n0e n PHE 134 Ca 0.29 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.85 1n0e n PHE 134 Cb 0.80 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.58 1n0e n PHE 134 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1n0e h ASP 135 N 0.00 0.53 -3.91 -2.13 3.32 -1.92 -2.61 116.42 109.70 1n0e h ASP 135 Ca 0.00 -0.45 -0.32 0.00 0.02 0.00 0.00 57.03 56.28 1n0e h ASP 135 Cb 0.00 -0.15 -0.08 0.00 0.22 0.00 0.00 39.33 39.32 1n0e h ASP 135 CO 0.00 0.86 -0.31 0.00 -1.72 0.00 0.00 179.24 178.08 1n0e n HIS 136 N -4.46 -0.38 -4.62 4.55 1.44 -1.23 -4.75 115.22 105.77 1n0e n HIS 136 Ca -0.05 -1.81 -0.22 0.00 -2.01 0.00 0.00 57.72 53.64 1n0e n HIS 136 Cb 0.38 0.14 -0.15 0.00 0.12 0.00 0.00 29.99 30.48 1n0e n HIS 136 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1n0e s LEU 137 N 0.00 2.04 -0.04 2.39 0.20 -0.09 -0.42 118.68 122.76 1n0e s LEU 137 Ca 0.23 -0.27 0.03 0.00 0.69 0.00 0.00 54.13 54.81 1n0e s LEU 137 Cb 0.01 -0.71 -0.03 0.00 -0.43 0.00 0.00 46.19 45.03 1n0e s LEU 137 CO 0.16 0.16 -0.13 -1.61 -0.29 0.00 0.00 176.35 174.65 1n0e s GLU 138 N -0.40 2.51 -0.23 1.98 2.02 -0.52 0.47 118.70 124.52 1n0e s GLU 138 Ca 0.05 -0.69 -0.06 0.00 0.02 0.00 0.00 54.97 54.28 1n0e s GLU 138 Cb -0.06 -2.41 -0.03 0.00 0.10 0.00 0.00 34.13 31.74 1n0e s GLU 138 CO -0.00 0.62 0.04 0.42 0.02 0.00 0.00 175.26 176.36 1n0e s ILE 139 N -0.77 4.16 0.18 -1.63 1.01 -0.64 -1.77 121.20 121.75 1n0e s ILE 139 Ca 0.12 -0.23 0.09 0.00 0.00 0.00 0.00 60.65 60.63 1n0e s ILE 139 Cb -0.11 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1n0e s ILE 139 CO 0.01 0.37 -0.18 0.26 0.00 0.00 0.00 174.94 175.40 1n0e s TRP 140 N 1.42 1.88 0.03 3.97 0.52 0.42 -4.15 118.94 123.03 1n0e s TRP 140 Ca 0.05 -0.47 -0.30 0.00 0.02 0.00 0.00 56.10 55.41 1n0e s TRP 140 Cb -0.15 -0.91 -0.04 0.00 -1.15 0.00 0.00 33.47 31.22 1n0e s TRP 140 CO 0.02 0.38 0.98 0.34 0.02 0.00 0.00 176.95 178.70 1n0e s ASP 141 N -2.85 7.40 0.22 2.95 2.15 -1.26 -0.57 116.67 124.70 1n0e s ASP 141 Ca 0.19 1.70 -0.11 0.00 0.43 0.00 0.00 52.55 54.76 1n0e s ASP 141 Cb -0.05 -2.57 0.31 0.00 -0.30 0.00 0.00 42.92 40.30 1n0e s ASP 141 CO 0.08 -0.21 1.66 0.50 -0.17 0.00 0.00 175.17 177.02 1n0e h LYS 142 N 6.49 0.10 0.74 4.34 3.64 -1.70 -0.54 116.57 129.65 1n0e h LYS 142 Ca -0.41 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.93 1n0e h LYS 142 Cb 1.22 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1n0e h LYS 142 CO 0.74 0.07 -0.45 -0.22 -2.27 0.00 0.00 179.45 177.32 1n0e h LYS 143 N 0.10 -1.08 -0.99 1.90 1.63 -1.91 -1.60 116.57 114.62 1n0e h LYS 143 Ca 0.33 0.07 0.18 0.00 -0.85 0.00 0.00 60.65 60.39 1n0e h LYS 143 Cb 0.54 0.25 -0.10 0.00 -0.60 0.00 0.00 32.23 32.32 1n0e h LYS 143 CO -0.55 -0.72 0.61 -0.07 -3.45 0.00 0.00 179.45 175.27 1n0e h LEU 144 N -1.12 0.73 -0.15 5.20 4.07 -1.86 -0.29 115.31 121.89 1n0e h LEU 144 Ca -0.10 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 1n0e h LEU 144 Cb 0.90 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 1n0e h LEU 144 CO 0.10 0.28 -0.00 0.22 -1.08 0.00 0.00 178.44 177.96 1n0e h TYR 145 N 0.73 0.29 -0.45 1.13 3.20 -0.81 -0.20 116.97 120.85 1n0e h TYR 145 Ca 0.55 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.33 1n0e h TYR 145 Cb 0.91 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1n0e h TYR 145 CO -0.00 0.49 0.10 0.93 -1.64 0.00 0.00 178.16 178.03 1n0e h GLU 146 N 0.01 0.69 -0.64 1.82 5.08 -0.42 0.14 114.58 121.26 1n0e h GLU 146 Ca 0.04 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1n0e h GLU 146 Cb 0.38 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1n0e h GLU 146 CO 0.01 0.64 0.16 -0.44 -1.00 0.00 0.00 179.01 178.38 1n0e h ASP 147 N 0.67 0.96 -0.36 1.42 3.32 -0.90 0.71 116.42 122.24 1n0e h ASP 147 Ca 0.15 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1n0e h ASP 147 Cb 0.27 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1n0e h ASP 147 CO -0.00 0.94 0.24 0.22 -1.72 0.00 0.00 179.24 178.92 1n0e h TYR 148 N 0.94 0.47 -0.55 4.55 3.20 -0.16 0.03 116.97 125.44 1n0e h TYR 148 Ca 0.20 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 1n0e h TYR 148 Cb 0.35 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1n0e h TYR 148 CO 0.03 0.31 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.74 1n0e h LEU 149 N 0.49 1.00 -0.21 2.82 4.07 -0.58 -3.04 115.31 119.86 1n0e h LEU 149 Ca 0.13 -0.33 0.03 0.00 0.08 0.00 0.00 57.88 57.80 1n0e h LEU 149 Cb -0.04 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.40 1n0e h LEU 149 CO -0.03 1.08 0.02 0.00 -1.08 0.00 0.00 178.44 178.43 1n0e h ALA 150 N 0.95 0.19 -3.00 1.53 0.00 0.88 -3.40 119.26 116.42 1n0e h ALA 150 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1n0e h ALA 150 Cb 0.60 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1n0e h ALA 150 CO 0.04 -0.41 0.00 0.09 0.00 0.00 0.00 179.25 178.96 1n0e n ASN 151 N -5.12 0.00 -1.64 0.00 3.02 -0.05 -4.97 115.26 106.50 1n0e n ASN 151 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1n0e n ASN 151 Cb 0.10 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1n0e n ASN 151 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1n0e n SER 152 N 0.00 -7.29 -4.12 6.41 2.88 -1.21 -4.93 113.62 105.36 1n0e n SER 152 Ca 0.00 1.03 -0.29 0.00 -1.33 0.00 0.00 58.87 58.28 1n0e n SER 152 Cb 0.00 -3.99 0.23 0.00 -0.75 0.00 0.00 64.21 59.70 1n0e n SER 152 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1n0e s GLU 153 N -1.43 -0.94 0.98 -1.46 2.02 -1.26 -5.01 118.70 111.61 1n0e s GLU 153 Ca 0.00 0.23 -0.12 0.00 0.02 0.00 0.00 54.97 55.10 1n0e s GLU 153 Cb 0.00 -1.60 0.18 0.00 0.10 0.00 0.00 34.13 32.81 1n0e s GLU 153 CO 0.00 -3.58 1.08 -1.54 0.02 0.00 0.00 175.26 171.24 1n0e s SER 154 N -3.51 2.68 0.10 -0.19 1.04 -1.26 -4.82 113.70 107.75 1n0e s SER 154 Ca 0.69 1.41 -0.17 0.00 0.48 0.00 0.00 55.95 58.35 1n0e s SER 154 Cb -0.15 -2.08 -0.05 0.00 0.10 0.00 0.00 66.02 63.84 1n0e s SER 154 CO 0.58 -3.13 1.56 0.25 0.98 0.00 0.00 173.24 173.48 1n0e h LEU 155 N -1.89 0.52 -0.64 2.42 5.85 -1.99 -1.89 115.31 117.69 1n0e h LEU 155 Ca -0.53 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 57.86 1n0e h LEU 155 Cb 1.31 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1n0e h LEU 155 CO 0.54 0.68 0.23 -0.33 -0.34 0.00 0.00 178.44 179.22 1n0e h GLU 156 N 0.35 0.98 0.75 1.25 3.07 -1.98 -1.13 114.58 117.86 1n0e h GLU 156 Ca 0.09 -0.20 -0.04 0.00 -0.50 0.00 0.00 59.36 58.72 1n0e h GLU 156 Cb 0.40 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1n0e h GLU 156 CO 0.01 0.84 -0.36 1.15 -1.40 0.00 0.00 179.01 179.26 1n0e h THR 157 N 0.92 0.20 -0.33 1.13 2.02 -1.91 -0.55 112.91 114.39 1n0e h THR 157 Ca 0.21 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.31 1n0e h THR 157 Cb 0.25 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1n0e h THR 157 CO -0.01 0.01 0.09 0.58 0.37 0.00 0.00 175.52 176.56 1n0e h VAL 158 N -1.11 0.87 -0.72 3.16 2.07 -1.35 -2.58 116.25 116.59 1n0e h VAL 158 Ca -0.10 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1n0e h VAL 158 Cb 0.79 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1n0e h VAL 158 CO 0.17 0.04 0.44 0.00 0.02 0.00 0.00 177.57 178.24 1n0e h ALA 159 N 1.23 0.95 -0.21 1.67 0.00 -1.17 -1.91 119.26 119.82 1n0e h ALA 159 Ca 0.15 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1n0e h ALA 159 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1n0e h ALA 159 CO -0.18 0.20 0.21 1.49 0.00 0.00 0.00 179.25 180.97 1n0e h GLU 160 N 0.85 0.00 0.00 0.00 4.57 -0.68 -0.66 114.58 118.66 1n0e h GLU 160 Ca 0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1n0e h GLU 160 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1n0e h GLU 160 CO -0.13 0.00 -0.17 0.54 -1.18 0.00 0.00 179.01 178.07 1n0e n ARG 161 N -3.90 0.06 0.00 1.92 1.74 -0.72 -5.11 116.66 110.64 1n0e n ARG 161 Ca 0.02 0.03 0.06 0.00 -0.77 0.00 0.00 57.85 57.20 1n0e n ARG 161 Cb 0.34 -1.55 0.36 0.00 -1.02 0.00 0.00 32.46 30.59 1n0e n ARG 161 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78