#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 0.09 -0.52 -1.08 6.02 -1.26 0.22 117.38 120.85 1n0e n GLN 23 Ca 0.00 0.55 0.04 0.00 -0.01 0.00 0.00 57.00 57.58 1n0e n GLN 23 Cb 0.00 -1.94 0.20 0.00 1.02 0.00 0.00 30.24 29.53 1n0e n GLN 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n0e n GLY 24 N -1.31 4.71 0.00 1.08 0.00 -1.26 -4.44 105.19 103.97 1n0e n GLY 24 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.03 0.00 -3.92 1.61 8.25 0.13 -4.16 115.22 116.10 1n0e n HIS 25 Ca 0.24 -0.02 -0.29 0.00 -0.26 0.00 0.00 57.72 57.39 1n0e n HIS 25 Cb 0.86 -0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.80 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 -0.04 1.65 -0.55 -0.41 1.00 -1.05 -4.94 119.30 114.96 1n0e s MET 26 Ca 0.00 -0.53 -0.24 0.00 0.00 0.00 0.00 55.69 54.92 1n0e s MET 26 Cb 0.00 -2.01 0.04 0.00 0.00 0.00 0.00 34.83 32.86 1n0e s MET 26 CO 0.00 -0.38 0.95 -0.51 0.00 0.00 0.00 175.02 175.08 1n0e s LEU 27 N 1.59 4.08 0.06 -0.03 1.43 -1.04 -4.93 118.68 119.85 1n0e s LEU 27 Ca 0.02 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1n0e s LEU 27 Cb -0.15 -2.86 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 1n0e s LEU 27 CO -0.08 -1.22 -0.11 -0.76 0.23 0.00 0.00 176.35 174.41 1n0e s LEU 28 N 3.96 2.28 0.00 1.79 1.43 -1.26 0.64 118.68 127.52 1n0e s LEU 28 Ca 0.31 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1n0e s LEU 28 Cb -0.12 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.76 1n0e s LEU 28 CO 0.20 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.23 1n0e n GLY 29 N 1.26 0.59 3.16 -3.19 0.00 -1.26 -4.59 105.19 101.16 1n0e n GLY 29 Ca -0.21 -2.18 -0.26 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.02 1.44 -0.02 2.61 2.01 -1.26 -0.70 115.64 118.70 1n0e s THR 30 Ca 0.00 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.26 1n0e s THR 30 Cb 0.00 -1.22 0.00 0.00 0.01 0.00 0.00 72.50 71.30 1n0e s THR 30 CO 0.00 0.41 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.92 1n0e s PHE 31 N -0.22 0.68 -0.23 4.92 0.08 0.15 -4.96 117.98 118.39 1n0e s PHE 31 Ca 0.02 -0.15 -0.07 0.00 0.12 0.00 0.00 56.93 56.86 1n0e s PHE 31 Cb -0.09 -0.50 -0.03 0.00 -0.57 0.00 0.00 43.02 41.84 1n0e s PHE 31 CO 0.01 -0.07 0.05 -0.80 -0.10 0.00 0.00 175.22 174.30 1n0e s ASN 32 N 0.19 5.03 0.24 1.36 0.01 -1.26 -0.18 114.94 120.33 1n0e s ASN 32 Ca -0.02 -0.21 0.02 0.00 -0.71 0.00 0.00 52.86 51.94 1n0e s ASN 32 Cb -0.07 -1.89 -0.04 0.00 0.41 0.00 0.00 41.25 39.66 1n0e s ASN 32 CO -0.00 -0.00 0.18 0.27 -1.51 0.00 0.00 177.10 176.04 1n0e s ILE 33 N 1.42 0.00 0.07 0.60 -4.36 -0.25 -4.99 121.20 113.69 1n0e s ILE 33 Ca 0.05 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.49 1n0e s ILE 33 Cb -0.15 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.03 1n0e s ILE 33 CO 0.03 0.00 -0.04 -0.89 0.24 0.00 0.00 174.94 174.28 1n0e s THR 34 N -3.92 3.80 -0.09 8.37 2.01 -1.26 0.12 115.64 124.68 1n0e s THR 34 Ca 0.40 -0.97 -0.26 0.00 0.31 0.00 0.00 61.69 61.16 1n0e s THR 34 Cb 0.05 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 1n0e s THR 34 CO 0.17 0.20 0.84 -0.22 -0.69 0.00 0.00 174.62 174.92 1n0e s LEU 35 N -2.03 4.27 1.05 4.42 2.96 -1.26 -4.69 118.68 123.40 1n0e s LEU 35 Ca 0.22 1.33 -0.14 0.00 -0.22 0.00 0.00 54.13 55.32 1n0e s LEU 35 Cb -0.11 -3.29 0.15 0.00 0.50 0.00 0.00 46.19 43.43 1n0e s LEU 35 CO 0.14 -0.28 0.62 -0.67 -1.32 0.00 0.00 176.35 174.85 1n0e n ASP 36 N 4.41 -1.56 0.22 3.68 2.03 0.27 -4.85 116.55 120.75 1n0e n ASP 36 Ca 0.03 0.10 0.10 0.00 0.52 0.00 0.00 54.79 55.54 1n0e n ASP 36 Cb 0.50 -1.21 0.39 0.00 -0.72 0.00 0.00 41.12 40.07 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 -2.07 0.96 -0.60 -1.67 0.00 -1.96 -2.34 119.26 111.58 1n0e h ALA 37 Ca -0.51 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.06 1n0e h ALA 37 Cb 1.31 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1n0e h ALA 37 CO 0.41 0.26 0.16 1.63 0.00 0.00 0.00 179.25 181.71 1n0e n LYS 38 N -3.28 3.48 -3.43 0.00 5.02 -1.26 -4.94 118.16 113.76 1n0e n LYS 38 Ca 0.01 -3.07 -0.19 0.00 -2.02 0.00 0.00 58.31 53.04 1n0e n LYS 38 Cb 0.47 -2.11 0.08 0.00 -0.02 0.00 0.00 35.03 33.45 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 -0.26 -3.96 -4.39 4.39 5.03 -0.88 -4.84 115.26 110.35 1n0e n ASN 39 Ca 0.36 -0.54 -0.20 0.00 0.87 0.00 0.00 54.58 55.06 1n0e n ASN 39 Cb 1.25 -4.79 -0.10 0.00 -1.02 0.00 0.00 39.78 35.12 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 -5.72 1.45 -0.01 3.52 0.52 -1.26 -0.91 118.95 116.54 1n0e s ARG 40 Ca 0.26 -1.67 0.03 0.00 -0.52 0.00 0.00 55.73 53.83 1n0e s ARG 40 Cb -0.11 -1.29 -0.01 0.00 0.52 0.00 0.00 34.95 34.06 1n0e s ARG 40 CO 0.68 0.19 -0.10 0.96 0.02 0.00 0.00 175.30 177.06 1n0e s ILE 41 N -2.87 0.81 -0.25 1.52 -4.36 -0.47 0.93 121.20 116.52 1n0e s ILE 41 Ca 0.25 -0.43 -0.20 0.00 -0.26 0.00 0.00 60.65 60.02 1n0e s ILE 41 Cb -0.01 -0.69 -0.02 0.00 1.25 0.00 0.00 42.46 42.99 1n0e s ILE 41 CO 0.10 0.23 0.59 -0.44 0.24 0.00 0.00 174.94 175.66 1n0e s SER 42 N -0.16 6.55 0.10 4.36 0.01 -1.26 -0.45 113.70 122.84 1n0e s SER 42 Ca 0.03 0.67 -0.31 0.00 1.31 0.00 0.00 55.95 57.65 1n0e s SER 42 Cb -0.05 -2.32 -0.09 0.00 0.21 0.00 0.00 66.02 63.77 1n0e s SER 42 CO -0.00 -0.32 1.72 -0.76 0.41 0.00 0.00 173.24 174.28 1n0e s LEU 43 N 2.33 4.38 0.08 2.44 1.43 0.51 -4.87 118.68 124.97 1n0e s LEU 43 Ca 0.25 2.61 -0.11 0.00 -1.03 0.00 0.00 54.13 55.85 1n0e s LEU 43 Cb -0.16 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.52 1n0e s LEU 43 CO 0.09 -0.93 0.65 -2.65 0.23 0.00 0.00 176.35 173.73 1n0e n PRO 44 N 5.50 -0.15 0.00 1.29 -0.02 -1.26 -4.59 135.00 135.77 1n0e n PRO 44 Ca 0.16 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1n0e n PRO 44 Cb 0.39 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 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 -3.72 0.00 0.21 3.55 0.00 -1.26 -4.84 120.51 114.45 1n0e n ALA 45 Ca 0.02 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.64 1n0e n ALA 45 Cb 0.13 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.42 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 0.10 0.00 1.57 -2.00 -1.73 116.57 114.51 1n0e h LYS 46 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 1n0e h LYS 46 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1n0e h LYS 46 CO 0.00 0.00 -1.31 -0.07 -0.57 0.00 0.00 179.45 177.50 1n0e h LEU 47 N 0.00 0.33 -1.11 2.94 4.07 -1.89 -3.36 115.31 116.29 1n0e h LEU 47 Ca 0.09 -0.84 0.28 0.00 0.08 0.00 0.00 57.88 57.50 1n0e h LEU 47 Cb 0.59 -0.11 -0.12 0.00 1.08 0.00 0.00 40.66 42.10 1n0e h LEU 47 CO -0.00 1.57 0.62 0.03 -1.08 0.00 0.00 178.44 179.58 1n0e h ARG 48 N -0.40 0.42 -0.58 1.13 3.08 -1.56 0.21 114.38 116.69 1n0e h ARG 48 Ca -0.29 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 59.86 1n0e h ARG 48 Cb 1.68 -0.10 -0.10 0.00 0.08 0.00 0.00 29.97 31.53 1n0e h ARG 48 CO 0.04 0.28 -0.08 0.00 -1.07 0.00 0.00 179.97 179.14 1n0e h ALA 49 N 1.73 0.47 -0.69 0.04 0.00 -1.67 -1.88 119.26 117.26 1n0e h ALA 49 Ca 0.67 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.83 1n0e h ALA 49 Cb 1.50 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.63 1n0e h ALA 49 CO -0.47 -0.42 0.42 0.35 0.00 0.00 0.00 179.25 179.13 1n0e h PHE 50 N 0.05 0.77 -3.46 0.00 3.57 -0.73 -3.44 116.94 113.71 1n0e h PHE 50 Ca 0.29 0.02 -0.53 0.00 3.53 0.00 0.00 57.97 61.29 1n0e h PHE 50 Cb 0.46 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1n0e h PHE 50 CO -0.42 0.41 -0.08 -0.06 -2.23 0.00 0.00 178.31 175.92 1n0e s PHE 51 N -6.10 3.43 0.00 0.41 0.08 -0.71 -4.98 117.98 110.11 1n0e s PHE 51 Ca -0.13 0.90 0.00 0.00 0.12 0.00 0.00 56.93 57.82 1n0e s PHE 51 Cb 0.16 -2.28 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 1n0e s PHE 51 CO 0.77 0.22 0.00 -1.91 -0.10 0.00 0.00 175.22 174.20 1n0e n GLU 52 N -0.29 0.00 -0.07 0.44 4.07 -1.26 -4.91 120.64 118.62 1n0e n GLU 52 Ca 0.01 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.18 1n0e n GLU 52 Cb 0.53 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 32.01 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 0.81 3.02 8.31 0.00 -1.26 -4.84 105.19 116.22 1n0e n GLY 53 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.14 0.06 0.09 1.61 0.15 -1.26 0.12 113.70 113.34 1n0e s SER 54 Ca 0.21 -0.18 -0.02 0.00 0.70 0.00 0.00 55.95 56.65 1n0e s SER 54 Cb 0.13 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.56 1n0e s SER 54 CO 0.19 -0.24 0.04 0.27 1.20 0.00 0.00 173.24 174.70 1n0e s ILE 55 N -0.94 0.15 -0.08 6.45 -5.25 -0.15 -4.42 121.20 116.96 1n0e s ILE 55 Ca -0.10 -1.78 0.01 0.00 -0.99 0.00 0.00 60.65 57.78 1n0e s ILE 55 Cb -0.06 -1.75 -0.03 0.00 2.95 0.00 0.00 42.46 43.57 1n0e s ILE 55 CO 0.00 -0.70 -0.07 -0.69 -1.79 0.00 0.00 174.94 171.69 1n0e s VAL 56 N -3.97 3.67 -0.05 8.37 1.01 -0.40 -0.40 120.40 128.64 1n0e s VAL 56 Ca 0.15 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 1n0e s VAL 56 Cb 0.07 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1n0e s VAL 56 CO -0.04 0.59 -0.13 0.00 0.00 0.00 0.00 175.10 175.52 1n0e n ILE 57 N 2.36 0.79 -1.51 2.22 3.06 0.01 -1.97 119.36 124.31 1n0e n ILE 57 Ca -0.18 0.28 0.00 0.00 -2.50 0.00 0.00 62.75 60.35 1n0e n ILE 57 Cb 0.53 -1.75 0.00 0.00 0.54 0.00 0.00 39.64 38.95 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 -3.41 -6.59 -4.76 9.51 0.23 -1.23 -3.06 115.26 105.95 1n0e n ASN 58 Ca -0.05 1.10 -0.40 0.00 -0.53 0.00 0.00 54.58 54.71 1n0e n ASN 58 Cb 0.19 -4.27 -0.05 0.00 -2.08 0.00 0.00 39.78 33.58 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 -3.90 4.60 0.00 -3.83 1.70 -1.21 -1.21 118.95 115.11 1n0e s ARG 59 Ca 0.00 1.71 0.00 0.00 -0.47 0.00 0.00 55.73 56.97 1n0e s ARG 59 Cb 0.00 -3.10 0.00 0.00 -0.57 0.00 0.00 34.95 31.28 1n0e s ARG 59 CO 0.00 0.21 0.00 0.41 -1.08 0.00 0.00 175.30 174.84 1n0e n GLY 60 N 1.10 2.52 3.85 3.88 0.00 -1.26 -4.70 105.19 110.58 1n0e n GLY 60 Ca -0.00 -2.12 -0.34 0.00 0.00 0.00 0.00 46.02 43.56 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 0.90 3.51 -1.18 1.61 0.08 -1.26 -3.95 117.98 117.69 1n0e s PHE 61 Ca 0.00 1.12 -0.01 0.00 0.12 0.00 0.00 56.93 58.16 1n0e s PHE 61 Cb 0.00 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 40.02 1n0e s PHE 61 CO 0.00 0.29 0.12 0.39 -0.10 0.00 0.00 175.22 175.92 1n0e n GLU 62 N 0.28 -1.79 -3.23 0.44 4.71 -1.26 -3.82 120.64 115.97 1n0e n GLU 62 Ca -0.01 0.67 -0.13 0.00 -0.01 0.00 0.00 57.16 57.69 1n0e n GLU 62 Cb 0.52 -4.96 0.05 0.00 -1.01 0.00 0.00 31.44 26.05 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 -0.85 -6.84 0.00 1.62 3.02 -1.25 -5.00 115.26 105.95 1n0e n ASN 63 Ca -0.14 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 1n0e n ASN 63 Cb 0.62 -5.12 0.00 0.00 -0.61 0.00 0.00 39.78 34.67 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 -0.41 -5.33 -4.78 0.00 4.32 -1.26 -1.86 117.00 107.67 1n0e n LEU 65 Ca 0.00 2.67 -0.25 0.00 -0.02 0.00 0.00 56.01 58.41 1n0e n LEU 65 Cb 0.00 -2.74 -0.05 0.00 -1.62 0.00 0.00 43.42 39.01 1n0e n LEU 65 CO 0.00 -1.39 -0.22 -1.61 -1.22 0.00 0.00 177.39 172.95 1n0e s GLU 66 N -1.15 2.82 -0.03 3.23 2.02 -0.35 -1.01 118.70 124.23 1n0e s GLU 66 Ca 0.00 -0.99 0.01 0.00 0.02 0.00 0.00 54.97 54.01 1n0e s GLU 66 Cb 0.00 -2.56 0.02 0.00 0.10 0.00 0.00 34.13 31.69 1n0e s GLU 66 CO 0.00 0.44 -0.03 0.08 0.02 0.00 0.00 175.26 175.78 1n0e s VAL 67 N -1.92 0.36 0.15 2.63 1.01 0.19 -4.20 120.40 118.63 1n0e s VAL 67 Ca 0.31 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 1n0e s VAL 67 Cb -0.09 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 1n0e s VAL 67 CO 0.23 0.17 0.18 -0.13 0.00 0.00 0.00 175.10 175.55 1n0e s ARG 68 N 0.71 1.06 0.35 2.72 0.52 -0.83 -0.95 118.95 122.52 1n0e s ARG 68 Ca -0.08 -1.30 -0.23 0.00 -0.52 0.00 0.00 55.73 53.60 1n0e s ARG 68 Cb -0.11 0.32 -0.10 0.00 0.52 0.00 0.00 34.95 35.57 1n0e s ARG 68 CO -0.01 -0.35 0.91 0.15 0.02 0.00 0.00 175.30 176.02 1n0e s LYS 69 N -4.01 4.38 0.31 3.54 1.02 -1.26 -1.28 119.74 122.45 1n0e s LYS 69 Ca 0.20 1.17 0.08 0.00 0.02 0.00 0.00 55.97 57.44 1n0e s LYS 69 Cb 0.05 -2.55 0.84 0.00 -0.52 0.00 0.00 37.83 35.65 1n0e s LYS 69 CO 0.01 0.17 1.71 -1.35 -0.92 0.00 0.00 175.35 174.97 1n0e h PRO 70 N 2.67 0.49 -0.58 -1.68 0.11 -1.91 0.16 132.00 131.26 1n0e h PRO 70 Ca -0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1n0e h PRO 70 Cb 1.19 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1n0e h PRO 70 CO 0.64 0.32 0.35 1.96 -0.21 0.00 0.00 178.00 181.06 1n0e h GLN 71 N 0.51 0.79 -0.11 1.05 7.50 -1.97 -0.08 115.11 122.80 1n0e h GLN 71 Ca 0.62 -0.07 -0.09 0.00 0.50 0.00 0.00 58.65 59.61 1n0e h GLN 71 Cb 1.19 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 28.55 1n0e h GLN 71 CO -0.50 0.57 -0.32 -0.44 -1.50 0.00 0.00 178.83 176.64 1n0e h ASP 72 N 0.78 0.21 -0.57 1.46 3.32 -1.40 -2.16 116.42 118.06 1n0e h ASP 72 Ca 0.21 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 1n0e h ASP 72 Cb -0.02 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1n0e h ASP 72 CO -0.04 0.53 0.02 0.15 -1.72 0.00 0.00 179.24 178.17 1n0e h PHE 73 N 0.18 1.09 -0.46 4.55 3.57 -0.45 0.23 116.94 125.65 1n0e h PHE 73 Ca 0.02 -0.18 0.08 0.00 3.53 0.00 0.00 57.97 61.42 1n0e h PHE 73 Cb 0.66 -0.29 -0.07 0.00 2.79 0.00 0.00 35.95 39.05 1n0e h PHE 73 CO 0.01 0.97 0.04 0.37 -2.23 0.00 0.00 178.31 177.48 1n0e h GLN 74 N 0.89 0.16 -0.32 1.11 5.75 -0.42 0.14 115.11 122.43 1n0e h GLN 74 Ca 0.16 -0.01 -0.16 0.00 -0.15 0.00 0.00 58.65 58.50 1n0e h GLN 74 Cb 0.53 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 1n0e h GLN 74 CO 0.03 0.11 -0.42 0.87 -2.65 0.00 0.00 178.83 176.76 1n0e h LYS 75 N 0.17 0.80 -0.30 1.69 1.57 -1.05 -2.56 116.57 116.89 1n0e h LYS 75 Ca 0.23 -0.43 0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1n0e h LYS 75 Cb 0.32 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1n0e h LYS 75 CO -0.34 1.06 0.11 -0.92 -0.57 0.00 0.00 179.45 178.79 1n0e h TYR 76 N 0.65 0.20 0.21 -1.35 3.20 -0.26 -2.92 116.97 116.70 1n0e h TYR 76 Ca 0.05 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1n0e h TYR 76 Cb 0.99 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 1n0e h TYR 76 CO 0.06 0.09 -0.13 0.35 -1.64 0.00 0.00 178.16 176.89 1n0e h PHE 77 N 0.25 -0.33 -0.82 -3.82 3.57 -0.92 -2.54 116.94 112.33 1n0e h PHE 77 Ca 0.13 -0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.86 1n0e h PHE 77 Cb 0.09 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1n0e h PHE 77 CO -0.13 -0.20 0.75 0.93 -2.23 0.00 0.00 178.31 177.43 1n0e h GLU 78 N -0.32 0.00 -0.31 1.11 5.08 -1.27 0.88 114.58 119.75 1n0e h GLU 78 Ca -0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1n0e h GLU 78 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1n0e h GLU 78 CO 0.02 0.00 -0.16 1.96 -1.00 0.00 0.00 179.01 179.83 1n0e h GLN 79 N 0.00 0.54 0.00 2.33 4.20 -1.31 -2.65 115.11 118.23 1n0e h GLN 79 Ca 0.39 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 1n0e h GLN 79 Cb 1.88 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.61 1n0e h GLN 79 CO -0.00 0.69 -0.10 0.74 -0.67 0.00 0.00 178.83 179.49 1n0e h PHE 80 N 0.50 0.00 0.00 2.96 0.04 0.73 -2.85 116.94 118.31 1n0e h PHE 80 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1n0e h PHE 80 Cb 0.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1n0e h PHE 80 CO 0.02 0.10 0.00 0.09 -0.60 0.00 0.00 178.31 177.92 1n0e n ASN 81 N -3.28 0.00 -0.60 2.17 4.13 -1.00 -1.38 115.26 115.30 1n0e n ASN 81 Ca -0.00 -0.86 0.13 0.00 1.68 0.00 0.00 54.58 55.52 1n0e n ASN 81 Cb 0.32 0.00 0.29 0.00 -1.54 0.00 0.00 39.78 38.85 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 -0.91 1.98 -4.75 6.41 3.41 -1.08 -4.82 113.62 113.86 1n0e n SER 82 Ca 0.15 -1.56 -0.36 0.00 -0.26 0.00 0.00 58.87 56.84 1n0e n SER 82 Cb 0.07 0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.15 3.45 0.00 7.33 0.08 -0.48 -5.04 117.98 121.17 1n0e s PHE 83 Ca 0.30 0.42 0.00 0.00 0.12 0.00 0.00 56.93 57.77 1n0e s PHE 83 Cb 0.20 -2.17 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 1n0e s PHE 83 CO 0.39 0.34 0.04 -2.30 -0.10 0.00 0.00 175.22 173.59 1n0e n PRO 84 N 3.30 0.00 0.00 0.24 -0.02 -1.26 -4.83 135.00 132.43 1n0e n PRO 84 Ca -0.16 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1n0e n PRO 84 Cb 0.52 -0.06 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 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 -1.76 0.00 0.23 2.55 2.88 -1.26 -4.65 113.62 111.60 1n0e n SER 85 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1n0e n SER 85 Cb 0.00 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 63.80 1n0e n SER 85 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1n0e h THR 86 N 0.00 0.00 -3.52 2.46 1.35 -2.01 -3.43 112.91 107.77 1n0e h THR 86 Ca 0.00 -0.82 -0.53 0.00 -0.55 0.00 0.00 66.41 64.51 1n0e h THR 86 Cb 0.00 1.81 -0.03 0.00 -1.73 0.00 0.00 68.15 68.21 1n0e h THR 86 CO 0.00 0.00 0.26 -1.10 -0.25 0.00 0.00 175.52 174.43 1n0e s GLN 87 N -3.34 4.61 0.20 4.72 -1.52 -1.26 -4.98 119.66 118.10 1n0e s GLN 87 Ca 0.05 1.27 -0.10 0.00 -1.95 0.00 0.00 55.36 54.63 1n0e s GLN 87 Cb 0.07 -3.36 0.19 0.00 -0.22 0.00 0.00 33.01 29.69 1n0e s GLN 87 CO 0.62 0.29 1.82 -0.22 -0.25 0.00 0.00 175.29 177.56 1n0e h LYS 88 N 5.43 0.71 -0.88 2.91 3.64 -2.01 -2.79 116.57 123.58 1n0e h LYS 88 Ca -0.44 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1n0e h LYS 88 Cb 1.21 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.82 1n0e h LYS 88 CO 0.71 0.47 0.58 -0.44 -2.27 0.00 0.00 179.45 178.50 1n0e h ASP 89 N 0.73 0.99 -0.48 4.20 3.32 -1.96 -1.70 116.42 121.52 1n0e h ASP 89 Ca 0.27 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.36 1n0e h ASP 89 Cb 0.09 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 1n0e h ASP 89 CO -0.14 0.71 0.19 0.74 -1.72 0.00 0.00 179.24 179.02 1n0e h THR 90 N 1.17 0.87 -0.67 0.35 2.02 -1.86 0.93 112.91 115.71 1n0e h THR 90 Ca 0.33 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 67.32 1n0e h THR 90 Cb -0.10 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1n0e h THR 90 CO -0.08 0.07 0.20 0.03 0.37 0.00 0.00 175.52 176.10 1n0e h ARG 91 N 0.38 1.04 -0.42 6.66 3.08 -1.31 -0.85 114.38 122.96 1n0e h ARG 91 Ca 0.23 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 1n0e h ARG 91 Cb 0.21 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1n0e h ARG 91 CO -0.21 0.90 -0.01 1.15 -1.07 0.00 0.00 179.97 180.73 1n0e h THR 92 N 1.00 1.26 0.45 2.04 2.02 -0.64 -1.24 112.91 117.80 1n0e h THR 92 Ca 0.22 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 1n0e h THR 92 Cb 0.31 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1n0e h THR 92 CO -0.01 0.35 -0.26 0.25 0.37 0.00 0.00 175.52 176.23 1n0e h LEU 93 N 0.59 -0.63 -1.48 2.58 5.85 -0.48 0.60 115.31 122.35 1n0e h LEU 93 Ca 0.12 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.93 1n0e h LEU 93 Cb 0.50 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 1n0e h LEU 93 CO 0.02 -0.41 0.42 0.11 -0.34 0.00 0.00 178.44 178.24 1n0e h LYS 94 N -0.66 0.63 -0.01 1.25 1.57 -1.12 -0.83 116.57 117.40 1n0e h LYS 94 Ca -0.05 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.47 1n0e h LYS 94 Cb 0.53 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1n0e h LYS 94 CO 0.07 0.42 -0.92 0.00 -0.57 0.00 0.00 179.45 178.44 1n0e h ARG 95 N 0.65 0.43 0.00 3.15 3.08 -0.91 -1.19 114.38 119.60 1n0e h ARG 95 Ca 0.27 -0.45 -0.12 0.00 0.07 0.00 0.00 59.98 59.75 1n0e h ARG 95 Cb 0.24 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1n0e h ARG 95 CO -0.08 1.11 -0.56 -0.07 -1.07 0.00 0.00 179.97 179.30 1n0e h LEU 96 N 0.25 0.00 0.00 3.04 3.38 -0.24 -3.02 115.31 118.72 1n0e h LEU 96 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1n0e h LEU 96 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 1n0e h LEU 96 CO 0.16 0.56 -0.09 0.40 0.09 0.00 0.00 178.44 179.56 1n0e h ILE 97 N 0.00 0.00 0.00 1.22 2.04 -1.11 -3.37 117.51 116.29 1n0e h ILE 97 Ca -0.01 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 1n0e h ILE 97 Cb 1.00 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1n0e h ILE 97 CO 0.07 0.00 -0.20 -0.26 0.00 0.00 0.00 178.15 177.76 1n0e h PHE 98 N -0.48 0.00 0.00 1.37 0.04 -1.39 -2.31 116.94 114.17 1n0e h PHE 98 Ca 0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1n0e h PHE 98 Cb 0.09 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 1n0e h PHE 98 CO -0.04 0.20 -0.19 0.00 -0.60 0.00 0.00 178.31 177.68 1n0e h ALA 99 N 1.80 1.08 -0.44 2.45 0.00 -1.69 -2.74 119.26 119.72 1n0e h ALA 99 Ca -0.00 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1n0e h ALA 99 Cb 0.53 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 1n0e h ALA 99 CO 0.03 0.24 0.07 0.09 0.00 0.00 0.00 179.25 179.67 1n0e n ASN 100 N -3.44 3.40 -4.72 0.00 3.02 -0.89 -4.98 115.26 107.66 1n0e n ASN 100 Ca -0.00 -3.43 -0.30 0.00 -0.03 0.00 0.00 54.58 50.81 1n0e n ASN 100 Cb 0.38 -0.64 -0.07 0.00 -0.61 0.00 0.00 39.78 38.83 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 -3.08 3.41 0.05 5.41 0.00 -1.04 -3.30 121.76 123.22 1n0e s ALA 101 Ca 0.46 -1.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 1n0e s ALA 101 Cb 0.40 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 22.23 1n0e s ALA 101 CO 0.06 0.72 0.31 -0.80 0.00 0.00 0.00 175.76 176.04 1n0e s ASN 102 N -2.27 -0.12 -0.03 0.00 -0.87 -1.26 -4.79 114.94 105.59 1n0e s ASN 102 Ca 0.27 -0.22 -0.19 0.00 -1.57 0.00 0.00 52.86 51.15 1n0e s ASN 102 Cb -0.12 0.37 -0.05 0.00 -0.02 0.00 0.00 41.25 41.43 1n0e s ASN 102 CO 0.19 -0.64 0.52 -0.36 -2.57 0.00 0.00 177.10 174.24 1n0e s PHE 103 N -2.72 3.66 -0.04 2.20 0.08 -1.26 -0.81 117.98 119.08 1n0e s PHE 103 Ca -0.04 1.08 0.00 0.00 0.12 0.00 0.00 56.93 58.09 1n0e s PHE 103 Cb -0.00 -2.52 0.03 0.00 -0.57 0.00 0.00 43.02 39.95 1n0e s PHE 103 CO -0.04 0.38 -0.01 0.08 -0.10 0.00 0.00 175.22 175.52 1n0e s VAL 104 N -0.22 0.28 0.12 -0.44 1.01 0.47 -4.97 120.40 116.64 1n0e s VAL 104 Ca 0.28 0.04 -0.28 0.00 0.00 0.00 0.00 61.98 62.02 1n0e s VAL 104 Cb -0.17 -0.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.78 1n0e s VAL 104 CO 0.15 0.17 0.88 -1.81 0.00 0.00 0.00 175.10 174.49 1n0e s ASP 105 N 1.06 7.42 -0.28 3.32 1.01 -1.26 -0.98 116.67 126.96 1n0e s ASP 105 Ca -0.09 1.70 -0.24 0.00 0.71 0.00 0.00 52.55 54.62 1n0e s ASP 105 Cb -0.14 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.25 1n0e s ASP 105 CO -0.01 0.02 0.82 -0.69 0.21 0.00 0.00 175.17 175.51 1n0e s VAL 106 N -0.32 4.80 1.18 -1.27 1.01 0.12 -4.62 120.40 121.30 1n0e s VAL 106 Ca 0.42 1.37 -0.18 0.00 0.00 0.00 0.00 61.98 63.59 1n0e s VAL 106 Cb -0.23 -4.14 0.28 0.00 0.00 0.00 0.00 36.38 32.29 1n0e s VAL 106 CO 0.28 -0.18 1.10 1.51 0.00 0.00 0.00 175.10 177.81 1n0e s ASP 107 N 1.50 1.08 0.45 3.32 3.84 -0.51 -4.79 116.67 121.56 1n0e s ASP 107 Ca 0.34 0.72 0.20 0.00 -0.00 0.00 0.00 52.55 53.81 1n0e s ASP 107 Cb -0.14 -1.03 1.16 0.00 -1.38 0.00 0.00 42.92 41.52 1n0e s ASP 107 CO 0.10 -4.04 1.88 0.71 -0.00 0.00 0.00 175.17 173.83 1n0e h THR 108 N -2.52 0.68 -0.31 2.11 1.35 -1.96 -0.96 112.91 111.30 1n0e h THR 108 Ca -0.46 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1n0e h THR 108 Cb 1.30 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1n0e h THR 108 CO 0.37 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.70 1n0e n ALA 109 N -2.56 2.45 -1.02 6.62 0.00 -1.26 -4.89 120.51 119.86 1n0e n ALA 109 Ca 0.18 -0.56 -0.01 0.00 0.00 0.00 0.00 53.44 53.05 1n0e n ALA 109 Cb 0.70 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 1.03 0.48 3.86 0.00 0.00 -0.37 -4.81 105.19 105.39 1n0e n GLY 110 Ca 0.11 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.98 3.88 -0.09 1.61 0.52 -1.26 -0.37 118.95 122.27 1n0e s ARG 111 Ca 0.00 0.40 0.01 0.00 -0.52 0.00 0.00 55.73 55.62 1n0e s ARG 111 Cb 0.00 -2.64 0.02 0.00 0.52 0.00 0.00 34.95 32.85 1n0e s ARG 111 CO 0.00 0.31 -0.11 0.08 0.02 0.00 0.00 175.30 175.60 1n0e s VAL 112 N -1.80 1.13 -0.28 3.52 1.01 0.40 -1.42 120.40 122.96 1n0e s VAL 112 Ca 0.47 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.81 1n0e s VAL 112 Cb -0.12 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1n0e s VAL 112 CO 0.20 0.37 0.71 -0.22 0.00 0.00 0.00 175.10 176.16 1n0e s LEU 113 N 1.13 4.09 -0.18 3.92 0.20 -1.26 -1.37 118.68 125.21 1n0e s LEU 113 Ca -0.06 0.69 -0.22 0.00 0.69 0.00 0.00 54.13 55.23 1n0e s LEU 113 Cb -0.14 -2.97 -0.02 0.00 -0.43 0.00 0.00 46.19 42.62 1n0e s LEU 113 CO -0.02 -0.49 0.69 -0.63 -0.29 0.00 0.00 176.35 175.61 1n0e s ILE 114 N 2.72 4.99 0.61 6.68 1.01 -0.09 -4.99 121.20 132.14 1n0e s ILE 114 Ca 0.29 1.32 -0.18 0.00 0.00 0.00 0.00 60.65 62.09 1n0e s ILE 114 Cb -0.15 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 1n0e s ILE 114 CO 0.10 0.10 0.72 -2.65 0.00 0.00 0.00 174.94 173.21 1n0e n PRO 115 N 4.97 0.62 0.03 2.79 -0.02 -1.26 -4.70 135.00 137.43 1n0e n PRO 115 Ca 0.00 0.25 -0.10 0.00 -2.02 0.00 0.00 63.50 61.63 1n0e n PRO 115 Cb 0.50 -1.93 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 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 0.21 -0.65 -0.73 2.55 2.35 -1.97 -0.41 115.58 116.92 1n0e h ASN 116 Ca -0.47 0.10 0.11 0.00 -0.55 0.00 0.00 56.30 55.49 1n0e h ASN 116 Cb 1.38 0.28 -0.08 0.00 0.05 0.00 0.00 38.32 39.95 1n0e h ASN 116 CO 0.48 -0.27 0.34 -0.55 -1.65 0.00 0.00 177.43 175.78 1n0e h ASN 117 N -0.31 0.41 0.17 5.81 -0.00 -2.00 -1.10 115.58 118.55 1n0e h ASN 117 Ca 0.08 0.08 -0.14 0.00 -0.00 0.00 0.00 56.30 56.32 1n0e h ASN 117 Cb 0.42 0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 38.75 1n0e h ASN 117 CO -0.24 0.21 -0.52 -0.07 -0.00 0.00 0.00 177.43 176.81 1n0e h LEU 118 N 0.55 0.43 -0.55 6.14 4.07 -1.82 -0.67 115.31 123.46 1n0e h LEU 118 Ca 0.38 -0.22 0.02 0.00 0.08 0.00 0.00 57.88 58.14 1n0e h LEU 118 Cb 0.47 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.06 1n0e h LEU 118 CO -0.32 0.87 0.33 0.40 -1.08 0.00 0.00 178.44 178.65 1n0e h ILE 119 N 0.31 1.07 -0.18 1.22 1.08 0.09 -1.70 117.51 119.39 1n0e h ILE 119 Ca 0.01 -0.23 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 1n0e h ILE 119 Cb 1.02 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 1n0e h ILE 119 CO 0.09 0.12 -0.06 0.78 -0.69 0.00 0.00 178.15 178.39 1n0e h ASN 120 N 0.67 0.37 -0.77 1.72 2.35 -1.05 0.42 115.58 119.29 1n0e h ASN 120 Ca 0.22 -0.38 0.07 0.00 -0.55 0.00 0.00 56.30 55.65 1n0e h ASN 120 Cb 0.01 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.23 1n0e h ASN 120 CO -0.09 0.67 0.50 0.44 -1.65 0.00 0.00 177.43 177.30 1n0e h ASP 121 N 0.07 0.71 -0.52 5.81 3.32 -0.93 -1.42 116.42 123.46 1n0e h ASP 121 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1n0e h ASP 121 Cb 0.51 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1n0e h ASP 121 CO 0.02 0.46 0.00 0.00 -1.72 0.00 0.00 179.24 178.00 1n0e n ALA 122 N -2.44 2.41 -4.04 3.45 0.00 -0.66 -4.78 120.51 114.46 1n0e n ALA 122 Ca 0.11 -1.05 -0.33 0.00 0.00 0.00 0.00 53.44 52.17 1n0e n ALA 122 Cb 0.23 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.75 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 1.39 -4.60 -2.43 0.00 4.76 -0.54 -4.32 118.16 112.42 1n0e n LYS 123 Ca 0.21 0.51 -0.42 0.00 -2.87 0.00 0.00 58.31 55.74 1n0e n LYS 123 Cb 0.56 -5.34 -0.03 0.00 -1.84 0.00 0.00 35.03 28.39 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 -7.28 4.37 0.00 -0.35 1.02 0.04 -4.78 118.68 111.70 1n0e s LEU 124 Ca 0.69 2.01 0.00 0.00 0.02 0.00 0.00 54.13 56.85 1n0e s LEU 124 Cb -0.36 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.27 1n0e s LEU 124 CO 0.87 -0.47 0.00 -0.67 0.02 0.00 0.00 176.35 176.10 1n0e n ASP 125 N 3.92 0.00 -3.72 2.29 2.03 -1.26 -4.81 116.55 115.00 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 -0.10 0.00 -0.72 0.00 0.00 41.12 40.76 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 -0.14 0.43 0.00 -0.67 2.20 -1.26 -4.64 119.74 115.66 1n0e s LYS 126 Ca 0.00 0.66 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 1n0e s LYS 126 Cb 0.00 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 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 3.51 0.00 -4.15 4.03 1.02 -1.25 -4.79 120.64 119.00 1n0e n GLU 127 Ca -0.18 0.32 -0.27 0.00 -0.02 0.00 0.00 57.16 57.02 1n0e n GLU 127 Cb 0.56 -0.65 -0.07 0.00 -0.02 0.00 0.00 31.44 31.27 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 4.05 -0.13 -3.67 -1.09 0.33 -1.43 121.20 119.26 1n0e s ILE 128 Ca 0.00 -1.25 0.00 0.00 -2.23 0.00 0.00 60.65 57.17 1n0e s ILE 128 Cb 0.00 -3.04 0.02 0.00 -1.58 0.00 0.00 42.46 37.86 1n0e s ILE 128 CO 0.00 -0.09 -0.13 -0.69 -1.23 0.00 0.00 174.94 172.80 1n0e s VAL 129 N -1.71 1.41 -0.23 2.92 1.01 0.31 -1.08 120.40 123.02 1n0e s VAL 129 Ca 0.29 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 1n0e s VAL 129 Cb -0.10 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1n0e s VAL 129 CO 0.20 0.43 0.09 -0.76 0.00 0.00 0.00 175.10 175.07 1n0e s LEU 130 N 1.46 3.73 -0.09 3.92 1.43 0.75 -0.73 118.68 129.15 1n0e s LEU 130 Ca 0.03 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 1n0e s LEU 130 Cb -0.13 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 1n0e s LEU 130 CO -0.09 0.05 -0.23 0.27 0.23 0.00 0.00 176.35 176.58 1n0e s ILE 131 N 1.10 2.14 0.10 -0.59 -4.36 -0.84 0.33 121.20 119.07 1n0e s ILE 131 Ca 0.05 -1.00 -0.30 0.00 -0.26 0.00 0.00 60.65 59.14 1n0e s ILE 131 Cb -0.14 -1.81 -0.06 0.00 1.25 0.00 0.00 42.46 41.71 1n0e s ILE 131 CO 0.04 0.56 0.95 -0.83 0.24 0.00 0.00 174.94 175.90 1n0e s GLY 132 N 0.20 2.99 -0.25 6.27 0.00 0.13 -1.30 107.32 115.35 1n0e s GLY 132 Ca -0.14 0.56 0.09 0.00 0.00 0.00 0.00 44.72 45.23 1n0e s GLY 132 CO 0.07 1.45 1.23 -1.06 0.00 0.00 0.00 173.10 174.79 1n0e n GLN 133 N 2.85 2.44 0.00 2.90 1.13 0.11 -4.38 117.38 122.42 1n0e n GLN 133 Ca 0.02 -3.65 0.00 0.00 -1.94 0.00 0.00 57.00 51.43 1n0e n GLN 133 Cb 0.49 -1.90 0.00 0.00 0.11 0.00 0.00 30.24 28.94 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 -0.95 0.00 -0.11 1.08 7.35 0.21 -3.59 117.46 121.44 1n0e n PHE 134 Ca 0.30 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.89 1n0e n PHE 134 Cb 0.82 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.62 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 0.54 -4.04 -2.13 3.32 -1.92 -2.76 116.42 109.43 1n0e h ASP 135 Ca 0.00 -0.28 -0.34 0.00 0.02 0.00 0.00 57.03 56.42 1n0e h ASP 135 Cb 0.00 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 39.31 1n0e h ASP 135 CO 0.00 0.69 -0.33 0.00 -1.72 0.00 0.00 179.24 177.88 1n0e n HIS 136 N -4.57 -0.56 -4.43 4.55 1.44 -1.24 -4.77 115.22 105.65 1n0e n HIS 136 Ca -0.02 -2.00 -0.23 0.00 -2.01 0.00 0.00 57.72 53.46 1n0e n HIS 136 Cb 0.24 0.21 -0.13 0.00 0.12 0.00 0.00 29.99 30.42 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 2.21 -0.03 2.39 0.20 -0.13 0.06 118.68 123.38 1n0e s LEU 137 Ca 0.28 -0.55 0.06 0.00 0.69 0.00 0.00 54.13 54.61 1n0e s LEU 137 Cb 0.01 -0.80 -0.02 0.00 -0.43 0.00 0.00 46.19 44.95 1n0e s LEU 137 CO 0.20 0.08 -0.20 -1.61 -0.29 0.00 0.00 176.35 174.53 1n0e s GLU 138 N -1.38 2.27 -0.22 1.98 2.02 -0.42 0.56 118.70 123.51 1n0e s GLU 138 Ca 0.05 -0.83 -0.07 0.00 0.02 0.00 0.00 54.97 54.14 1n0e s GLU 138 Cb -0.09 -2.20 -0.03 0.00 0.10 0.00 0.00 34.13 31.91 1n0e s GLU 138 CO 0.02 0.59 0.05 0.42 0.02 0.00 0.00 175.26 176.35 1n0e s ILE 139 N -0.69 4.28 0.14 -1.63 1.01 -0.18 -1.99 121.20 122.13 1n0e s ILE 139 Ca 0.11 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.64 1n0e s ILE 139 Cb -0.10 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1n0e s ILE 139 CO 0.00 0.39 -0.16 0.26 0.00 0.00 0.00 174.94 175.43 1n0e s TRP 140 N 1.18 1.58 0.09 3.97 0.52 0.09 -4.08 118.94 122.30 1n0e s TRP 140 Ca 0.04 -0.52 -0.30 0.00 0.02 0.00 0.00 56.10 55.34 1n0e s TRP 140 Cb -0.14 -0.81 -0.06 0.00 -1.15 0.00 0.00 33.47 31.31 1n0e s TRP 140 CO 0.03 0.22 1.08 0.34 0.02 0.00 0.00 176.95 178.64 1n0e s ASP 141 N -2.51 7.27 0.20 2.95 2.15 -1.26 -0.53 116.67 124.93 1n0e s ASP 141 Ca 0.12 1.92 -0.13 0.00 0.43 0.00 0.00 52.55 54.89 1n0e s ASP 141 Cb -0.05 -2.59 0.23 0.00 -0.30 0.00 0.00 42.92 40.21 1n0e s ASP 141 CO 0.04 -0.28 1.67 0.50 -0.17 0.00 0.00 175.17 176.93 1n0e h LYS 142 N 6.07 0.09 0.58 4.34 3.64 -1.54 -1.68 116.57 128.08 1n0e h LYS 142 Ca -0.43 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.93 1n0e h LYS 142 Cb 1.21 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1n0e h LYS 142 CO 0.75 0.06 -0.42 -0.22 -2.27 0.00 0.00 179.45 177.35 1n0e h LYS 143 N 0.09 -0.94 -0.95 1.90 1.63 -1.91 -1.66 116.57 114.74 1n0e h LYS 143 Ca 0.28 0.06 0.18 0.00 -0.85 0.00 0.00 60.65 60.33 1n0e h LYS 143 Cb 0.44 0.21 -0.11 0.00 -0.60 0.00 0.00 32.23 32.18 1n0e h LYS 143 CO -0.49 -0.63 0.54 -0.07 -3.45 0.00 0.00 179.45 175.36 1n0e h LEU 144 N -0.97 0.67 -0.31 5.20 4.07 -1.90 0.68 115.31 122.75 1n0e h LEU 144 Ca -0.07 0.10 -0.04 0.00 0.08 0.00 0.00 57.88 57.95 1n0e h LEU 144 Cb 0.81 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.53 1n0e h LEU 144 CO 0.03 0.23 0.03 0.22 -1.08 0.00 0.00 178.44 177.87 1n0e h TYR 145 N 0.69 0.56 -0.30 1.13 3.20 -1.07 0.41 116.97 121.58 1n0e h TYR 145 Ca 0.55 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 62.27 1n0e h TYR 145 Cb 0.86 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1n0e h TYR 145 CO -0.04 0.62 -0.09 0.93 -1.64 0.00 0.00 178.16 177.95 1n0e h GLU 146 N 0.33 0.50 -0.43 1.82 5.08 -0.27 0.06 114.58 121.67 1n0e h GLU 146 Ca 0.09 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 1n0e h GLU 146 Cb 0.38 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1n0e h GLU 146 CO 0.01 0.59 -0.31 -0.44 -1.00 0.00 0.00 179.01 177.85 1n0e h ASP 147 N 0.46 1.01 -0.39 1.42 3.32 -0.69 0.23 116.42 121.77 1n0e h ASP 147 Ca 0.09 -0.43 0.01 0.00 0.02 0.00 0.00 57.03 56.72 1n0e h ASP 147 Cb 0.44 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1n0e h ASP 147 CO 0.02 1.23 0.26 0.22 -1.72 0.00 0.00 179.24 179.24 1n0e h TYR 148 N 0.80 0.48 -0.53 4.55 3.20 -0.20 0.61 116.97 125.89 1n0e h TYR 148 Ca 0.08 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 1n0e h TYR 148 Cb 0.90 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1n0e h TYR 148 CO 0.06 0.30 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.71 1n0e h LEU 149 N 0.52 0.98 -0.29 2.82 4.07 -0.86 -3.03 115.31 119.52 1n0e h LEU 149 Ca 0.15 -0.32 0.01 0.00 0.08 0.00 0.00 57.88 57.80 1n0e h LEU 149 Cb -0.05 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.41 1n0e h LEU 149 CO -0.04 1.09 0.17 0.00 -1.08 0.00 0.00 178.44 178.58 1n0e h ALA 150 N 0.99 0.36 -3.00 1.53 0.00 0.07 -3.40 119.26 115.82 1n0e h ALA 150 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1n0e h ALA 150 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1n0e h ALA 150 CO 0.05 -0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.18 1n0e n ASN 151 N -4.93 0.00 -1.33 0.00 3.02 0.15 -4.97 115.26 107.20 1n0e n ASN 151 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1n0e n ASN 151 Cb 0.05 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 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 -6.71 -4.33 6.41 2.88 -1.21 -4.92 113.62 105.73 1n0e n SER 152 Ca 0.00 0.88 -0.29 0.00 -1.33 0.00 0.00 58.87 58.13 1n0e n SER 152 Cb 0.00 -3.21 0.19 0.00 -0.75 0.00 0.00 64.21 60.44 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 -2.27 0.08 1.00 -1.46 2.02 -1.26 -5.01 118.70 111.80 1n0e s GLU 153 Ca 0.00 0.10 -0.12 0.00 0.02 0.00 0.00 54.97 54.97 1n0e s GLU 153 Cb 0.00 -1.73 0.19 0.00 0.10 0.00 0.00 34.13 32.69 1n0e s GLU 153 CO 0.00 -2.88 1.08 -1.54 0.02 0.00 0.00 175.26 171.94 1n0e s SER 154 N -4.00 2.43 0.10 -0.19 1.04 -1.26 -4.82 113.70 107.00 1n0e s SER 154 Ca 0.68 1.57 -0.17 0.00 0.48 0.00 0.00 55.95 58.51 1n0e s SER 154 Cb -0.12 -2.24 -0.06 0.00 0.10 0.00 0.00 66.02 63.70 1n0e s SER 154 CO 0.55 -3.31 1.54 0.25 0.98 0.00 0.00 173.24 173.25 1n0e h LEU 155 N -2.01 0.53 -0.37 2.42 5.85 -1.99 -2.03 115.31 117.71 1n0e h LEU 155 Ca -0.53 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 57.86 1n0e h LEU 155 Cb 1.30 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1n0e h LEU 155 CO 0.51 0.71 0.14 -0.33 -0.34 0.00 0.00 178.44 179.14 1n0e h GLU 156 N 0.34 0.56 0.71 1.25 3.07 -1.99 -1.36 114.58 117.17 1n0e h GLU 156 Ca 0.09 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1n0e h GLU 156 Cb 0.44 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1n0e h GLU 156 CO 0.02 0.55 -0.41 1.15 -1.40 0.00 0.00 179.01 178.92 1n0e h THR 157 N 0.46 0.18 -0.30 1.13 2.02 -1.91 -0.57 112.91 113.91 1n0e h THR 157 Ca 0.12 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.36 1n0e h THR 157 Cb 0.20 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 66.74 1n0e h THR 157 CO -0.01 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 176.45 1n0e h VAL 158 N -1.04 0.77 -0.74 3.16 2.07 -1.40 -2.53 116.25 116.54 1n0e h VAL 158 Ca -0.09 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.46 1n0e h VAL 158 Cb 0.83 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1n0e h VAL 158 CO 0.11 0.01 0.44 0.00 0.02 0.00 0.00 177.57 178.15 1n0e h ALA 159 N 1.27 1.01 -0.08 1.67 0.00 -1.14 -1.66 119.26 120.32 1n0e h ALA 159 Ca 0.15 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1n0e h ALA 159 Cb 0.20 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1n0e h ALA 159 CO -0.26 0.13 0.10 1.49 0.00 0.00 0.00 179.25 180.72 1n0e h GLU 160 N 0.80 0.00 -0.00 0.00 4.57 -0.65 -1.14 114.58 118.15 1n0e h GLU 160 Ca 0.33 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1n0e h GLU 160 Cb 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1n0e h GLU 160 CO -0.18 0.00 -0.15 0.54 -1.18 0.00 0.00 179.01 178.04 1n0e n ARG 161 N -3.78 0.13 0.00 1.92 1.74 -0.63 -5.12 116.66 110.93 1n0e n ARG 161 Ca -0.01 -0.03 0.07 0.00 -0.77 0.00 0.00 57.85 57.11 1n0e n ARG 161 Cb 0.20 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 30.55 1n0e n ARG 161 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78