#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 0.17 -0.19 -1.08 6.02 -1.26 -1.47 117.38 119.56 1n0e n GLN 23 Ca 0.00 0.17 0.02 0.00 -0.01 0.00 0.00 57.00 57.18 1n0e n GLN 23 Cb 0.00 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 29.79 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 -0.36 0.96 0.22 1.08 0.00 -1.26 -4.62 105.19 101.21 1n0e n GLY 24 Ca 0.05 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.40 0.00 -3.56 1.61 8.25 -0.54 -4.03 115.22 116.55 1n0e n HIS 25 Ca 0.04 -0.58 -0.24 0.00 -0.26 0.00 0.00 57.72 56.68 1n0e n HIS 25 Cb 0.56 -0.10 -0.15 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.64 0.13 -0.58 -0.41 1.00 -1.02 -4.96 119.30 111.83 1n0e s MET 26 Ca 0.18 -0.06 -0.26 0.00 0.00 0.00 0.00 55.69 55.55 1n0e s MET 26 Cb 0.15 -1.51 0.04 0.00 0.00 0.00 0.00 34.83 33.52 1n0e s MET 26 CO 0.02 -0.73 1.04 -0.51 0.00 0.00 0.00 175.02 174.84 1n0e s LEU 27 N 2.20 3.85 0.07 -0.03 1.43 -1.07 -4.93 118.68 120.20 1n0e s LEU 27 Ca 0.05 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1n0e s LEU 27 Cb -0.16 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 1n0e s LEU 27 CO -0.15 -1.35 -0.13 -0.76 0.23 0.00 0.00 176.35 174.19 1n0e s LEU 28 N 4.38 2.30 0.00 1.79 1.43 -1.26 0.11 118.68 127.43 1n0e s LEU 28 Ca 0.34 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1n0e s LEU 28 Cb -0.11 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.68 1n0e s LEU 28 CO 0.21 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1n0e n GLY 29 N 1.18 0.79 3.19 -3.19 0.00 -1.26 -4.58 105.19 101.32 1n0e n GLY 29 Ca -0.21 -2.18 -0.25 0.00 0.00 0.00 0.00 46.02 43.38 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 -1.15 1.49 -0.02 2.61 2.01 -1.26 0.06 115.64 119.38 1n0e s THR 30 Ca 0.00 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1n0e s THR 30 Cb 0.00 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.27 1n0e s THR 30 CO 0.00 0.37 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.93 1n0e s PHE 31 N -0.51 0.23 -0.25 4.92 0.08 0.19 -4.96 117.98 117.68 1n0e s PHE 31 Ca 0.07 -0.00 -0.08 0.00 0.12 0.00 0.00 56.93 57.04 1n0e s PHE 31 Cb -0.07 -0.26 -0.03 0.00 -0.57 0.00 0.00 43.02 42.08 1n0e s PHE 31 CO -0.00 -0.07 0.08 -0.80 -0.10 0.00 0.00 175.22 174.33 1n0e s ASN 32 N 0.53 5.23 0.27 1.36 0.01 -1.26 0.10 114.94 121.18 1n0e s ASN 32 Ca -0.05 -0.18 0.03 0.00 -0.71 0.00 0.00 52.86 51.95 1n0e s ASN 32 Cb -0.08 -1.95 -0.04 0.00 0.41 0.00 0.00 41.25 39.60 1n0e s ASN 32 CO -0.01 -0.04 0.20 0.27 -1.51 0.00 0.00 177.10 176.01 1n0e s ILE 33 N 1.63 0.03 0.11 0.60 -4.36 -0.40 -5.00 121.20 113.81 1n0e s ILE 33 Ca 0.06 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.52 1n0e s ILE 33 Cb -0.15 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 1n0e s ILE 33 CO 0.04 0.00 -0.04 -0.89 0.24 0.00 0.00 174.94 174.30 1n0e s THR 34 N -3.80 3.72 -0.20 8.37 2.01 -1.26 0.62 115.64 125.08 1n0e s THR 34 Ca 0.39 -1.18 -0.24 0.00 0.31 0.00 0.00 61.69 60.98 1n0e s THR 34 Cb 0.05 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 1n0e s THR 34 CO 0.19 0.07 0.77 -0.22 -0.69 0.00 0.00 174.62 174.74 1n0e s LEU 35 N -2.40 4.13 0.99 4.42 2.96 -1.26 -4.67 118.68 122.84 1n0e s LEU 35 Ca 0.24 1.01 -0.14 0.00 -0.22 0.00 0.00 54.13 55.02 1n0e s LEU 35 Cb -0.11 -3.11 0.03 0.00 0.50 0.00 0.00 46.19 43.51 1n0e s LEU 35 CO 0.17 -0.40 0.22 -0.67 -1.32 0.00 0.00 176.35 174.35 1n0e n ASP 36 N 5.45 -2.43 0.25 3.68 2.03 0.33 -4.83 116.55 121.03 1n0e n ASP 36 Ca 0.03 0.23 0.13 0.00 0.52 0.00 0.00 54.79 55.70 1n0e n ASP 36 Cb 0.49 -1.12 0.53 0.00 -0.72 0.00 0.00 41.12 40.29 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 -1.61 1.00 -0.54 -1.67 0.00 -1.96 -2.05 119.26 112.43 1n0e h ALA 37 Ca -0.45 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 1n0e h ALA 37 Cb 1.30 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1n0e h ALA 37 CO 0.34 0.13 0.11 1.63 0.00 0.00 0.00 179.25 181.47 1n0e n LYS 38 N -3.23 3.58 -3.36 0.00 5.02 -1.26 -4.94 118.16 113.97 1n0e n LYS 38 Ca 0.01 -3.06 -0.18 0.00 -2.02 0.00 0.00 58.31 53.06 1n0e n LYS 38 Cb 0.39 -2.09 0.07 0.00 -0.02 0.00 0.00 35.03 33.38 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 -0.19 -3.90 -4.40 4.39 5.03 -0.77 -4.83 115.26 110.58 1n0e n ASN 39 Ca 0.33 -0.51 -0.21 0.00 0.87 0.00 0.00 54.58 55.06 1n0e n ASN 39 Cb 1.19 -4.54 -0.10 0.00 -1.02 0.00 0.00 39.78 35.31 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 -5.67 1.48 -0.02 3.52 0.52 -1.26 -0.95 118.95 116.57 1n0e s ARG 40 Ca 0.25 -1.70 0.02 0.00 -0.52 0.00 0.00 55.73 53.79 1n0e s ARG 40 Cb -0.11 -1.29 0.00 0.00 0.52 0.00 0.00 34.95 34.07 1n0e s ARG 40 CO 0.64 0.17 -0.08 0.96 0.02 0.00 0.00 175.30 177.01 1n0e s ILE 41 N -2.87 0.72 -0.24 1.52 -4.36 -0.60 0.12 121.20 115.50 1n0e s ILE 41 Ca 0.26 -0.33 -0.23 0.00 -0.26 0.00 0.00 60.65 60.09 1n0e s ILE 41 Cb -0.00 -0.64 -0.01 0.00 1.25 0.00 0.00 42.46 43.05 1n0e s ILE 41 CO 0.10 0.23 0.75 -0.44 0.24 0.00 0.00 174.94 175.82 1n0e s SER 42 N 0.16 6.75 0.13 4.36 0.01 -1.26 -0.89 113.70 122.95 1n0e s SER 42 Ca -0.02 0.92 -0.31 0.00 1.31 0.00 0.00 55.95 57.85 1n0e s SER 42 Cb -0.08 -2.40 -0.10 0.00 0.21 0.00 0.00 66.02 63.66 1n0e s SER 42 CO 0.00 -0.45 1.67 -0.76 0.41 0.00 0.00 173.24 174.11 1n0e s LEU 43 N 2.64 4.37 0.07 2.44 1.43 0.57 -4.88 118.68 125.32 1n0e s LEU 43 Ca 0.32 2.63 -0.14 0.00 -1.03 0.00 0.00 54.13 55.91 1n0e s LEU 43 Cb -0.15 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1n0e s LEU 43 CO 0.08 -0.90 0.73 -2.65 0.23 0.00 0.00 176.35 173.84 1n0e n PRO 44 N 4.86 -0.20 0.00 1.29 -0.02 -1.26 -4.61 135.00 135.06 1n0e n PRO 44 Ca 0.16 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1n0e n PRO 44 Cb 0.39 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 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 -3.52 0.00 0.18 3.55 0.00 -1.26 -4.84 120.51 114.63 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 0.12 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.36 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 -1.99 -2.08 116.57 114.16 1n0e h LYS 46 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 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 -0.89 -0.07 -0.57 0.00 0.00 179.45 177.92 1n0e h LEU 47 N 0.00 0.28 -0.97 2.94 4.07 -1.90 -3.35 115.31 116.38 1n0e h LEU 47 Ca 0.10 -0.87 0.29 0.00 0.08 0.00 0.00 57.88 57.48 1n0e h LEU 47 Cb 0.55 -0.09 -0.14 0.00 1.08 0.00 0.00 40.66 42.06 1n0e h LEU 47 CO -0.00 1.39 0.50 0.03 -1.08 0.00 0.00 178.44 179.28 1n0e h ARG 48 N -0.57 0.34 -0.57 1.13 3.08 -1.63 0.18 114.38 116.34 1n0e h ARG 48 Ca -0.19 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 59.94 1n0e h ARG 48 Cb 1.50 -0.08 -0.11 0.00 0.08 0.00 0.00 29.97 31.36 1n0e h ARG 48 CO 0.04 0.22 -0.33 0.00 -1.07 0.00 0.00 179.97 178.84 1n0e h ALA 49 N 1.81 -0.04 -0.59 0.04 0.00 -1.66 -1.55 119.26 117.27 1n0e h ALA 49 Ca 0.68 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.85 1n0e h ALA 49 Cb 1.46 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 19.94 1n0e h ALA 49 CO -0.59 -0.67 0.17 0.35 0.00 0.00 0.00 179.25 178.50 1n0e h PHE 50 N -0.17 0.28 -3.61 0.00 3.57 -0.77 -3.43 116.94 112.81 1n0e h PHE 50 Ca 0.23 0.03 -0.50 0.00 3.53 0.00 0.00 57.97 61.26 1n0e h PHE 50 Cb 0.55 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1n0e h PHE 50 CO -0.62 0.03 0.04 -0.06 -2.23 0.00 0.00 178.31 175.47 1n0e s PHE 51 N -6.11 3.43 0.00 0.41 0.08 -0.58 -4.99 117.98 110.22 1n0e s PHE 51 Ca -0.13 1.03 0.00 0.00 0.12 0.00 0.00 56.93 57.95 1n0e s PHE 51 Cb 0.17 -2.41 0.00 0.00 -0.57 0.00 0.00 43.02 40.22 1n0e s PHE 51 CO 0.74 0.06 0.00 -1.91 -0.10 0.00 0.00 175.22 174.01 1n0e n GLU 52 N -0.73 0.00 -0.00 0.44 4.07 -1.26 -4.90 120.64 118.25 1n0e n GLU 52 Ca 0.02 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.20 1n0e n GLU 52 Cb 0.53 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.98 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 0.26 2.99 8.31 0.00 -1.26 -4.82 105.19 115.67 1n0e n GLY 53 Ca 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.40 0.11 0.09 1.61 0.15 -1.26 0.42 113.70 113.41 1n0e s SER 54 Ca 0.20 -0.27 -0.02 0.00 0.70 0.00 0.00 55.95 56.56 1n0e s SER 54 Cb 0.14 0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.54 1n0e s SER 54 CO 0.21 -0.23 0.05 0.27 1.20 0.00 0.00 173.24 174.73 1n0e s ILE 55 N -1.02 0.15 -0.08 6.45 -5.25 0.01 -4.40 121.20 117.06 1n0e s ILE 55 Ca -0.11 -1.77 0.01 0.00 -0.99 0.00 0.00 60.65 57.79 1n0e s ILE 55 Cb -0.07 -1.74 -0.03 0.00 2.95 0.00 0.00 42.46 43.57 1n0e s ILE 55 CO -0.00 -0.70 -0.09 -0.69 -1.79 0.00 0.00 174.94 171.67 1n0e s VAL 56 N -3.97 3.49 -0.05 8.37 1.01 -0.45 -0.24 120.40 128.55 1n0e s VAL 56 Ca 0.15 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1n0e s VAL 56 Cb 0.07 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1n0e s VAL 56 CO -0.05 0.58 -0.12 0.00 0.00 0.00 0.00 175.10 175.51 1n0e n ILE 57 N 2.56 0.60 -1.58 2.22 3.06 -0.09 -1.82 119.36 124.30 1n0e n ILE 57 Ca -0.18 0.32 0.00 0.00 -2.50 0.00 0.00 62.75 60.39 1n0e n ILE 57 Cb 0.53 -1.73 0.00 0.00 0.54 0.00 0.00 39.64 38.97 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 -3.23 -7.66 -4.75 9.51 0.23 -1.23 -3.12 115.26 105.01 1n0e n ASN 58 Ca -0.05 1.39 -0.40 0.00 -0.53 0.00 0.00 54.58 54.99 1n0e n ASN 58 Cb 0.17 -4.74 -0.05 0.00 -2.08 0.00 0.00 39.78 33.09 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 -4.32 4.73 0.02 -3.83 1.70 -1.22 -1.12 118.95 114.91 1n0e s ARG 59 Ca 0.00 1.60 0.00 0.00 -0.47 0.00 0.00 55.73 56.86 1n0e s ARG 59 Cb 0.00 -3.28 0.00 0.00 -0.57 0.00 0.00 34.95 31.10 1n0e s ARG 59 CO 0.00 0.31 0.02 0.41 -1.08 0.00 0.00 175.30 174.96 1n0e n GLY 60 N 1.69 1.82 3.85 3.88 0.00 -1.26 -4.69 105.19 110.47 1n0e n GLY 60 Ca -0.00 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.57 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 0.82 3.46 -1.28 1.61 0.08 -1.26 -4.01 117.98 117.40 1n0e s PHE 61 Ca 0.02 1.10 -0.01 0.00 0.12 0.00 0.00 56.93 58.15 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 0.01 0.23 0.18 0.39 -0.10 0.00 0.00 175.22 175.93 1n0e n GLU 62 N 0.01 -2.19 -3.15 0.44 4.71 -1.26 -3.71 120.64 115.49 1n0e n GLU 62 Ca 0.01 0.73 -0.14 0.00 -0.01 0.00 0.00 57.16 57.75 1n0e n GLU 62 Cb 0.52 -5.11 0.07 0.00 -1.01 0.00 0.00 31.44 25.91 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 -1.17 -6.09 0.00 1.62 3.02 -1.26 -5.00 115.26 106.39 1n0e n ASN 63 Ca -0.15 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1n0e n ASN 63 Cb 0.62 -4.92 0.00 0.00 -0.61 0.00 0.00 39.78 34.87 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 -0.51 -5.37 -4.79 0.00 4.32 -1.26 -1.86 117.00 107.53 1n0e n LEU 65 Ca 0.00 2.70 -0.25 0.00 -0.02 0.00 0.00 56.01 58.44 1n0e n LEU 65 Cb 0.00 -2.76 -0.05 0.00 -1.62 0.00 0.00 43.42 38.99 1n0e n LEU 65 CO 0.00 -1.41 -0.21 -1.61 -1.22 0.00 0.00 177.39 172.93 1n0e s GLU 66 N -1.12 2.86 -0.03 3.23 2.02 -0.27 -1.34 118.70 124.05 1n0e s GLU 66 Ca 0.00 -0.95 0.01 0.00 0.02 0.00 0.00 54.97 54.05 1n0e s GLU 66 Cb 0.00 -2.59 0.02 0.00 0.10 0.00 0.00 34.13 31.66 1n0e s GLU 66 CO 0.00 0.45 -0.04 0.08 0.02 0.00 0.00 175.26 175.77 1n0e s VAL 67 N -1.88 0.45 0.17 2.63 1.01 0.18 -4.10 120.40 118.86 1n0e s VAL 67 Ca 0.31 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 1n0e s VAL 67 Cb -0.09 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1n0e s VAL 67 CO 0.23 0.18 0.20 -0.13 0.00 0.00 0.00 175.10 175.59 1n0e s ARG 68 N 0.63 1.12 0.34 2.72 0.52 -0.76 -0.92 118.95 122.61 1n0e s ARG 68 Ca -0.08 -1.33 -0.20 0.00 -0.52 0.00 0.00 55.73 53.60 1n0e s ARG 68 Cb -0.11 0.33 -0.10 0.00 0.52 0.00 0.00 34.95 35.59 1n0e s ARG 68 CO -0.00 -0.38 0.85 0.15 0.02 0.00 0.00 175.30 175.93 1n0e s LYS 69 N -4.03 4.24 0.31 3.54 1.02 -1.26 -1.34 119.74 122.22 1n0e s LYS 69 Ca 0.23 0.99 0.07 0.00 0.02 0.00 0.00 55.97 57.27 1n0e s LYS 69 Cb 0.05 -2.50 0.78 0.00 -0.52 0.00 0.00 37.83 35.64 1n0e s LYS 69 CO 0.03 0.16 1.75 -1.35 -0.92 0.00 0.00 175.35 175.02 1n0e h PRO 70 N 2.54 0.63 -0.58 -1.68 0.11 -1.91 -0.00 132.00 131.11 1n0e h PRO 70 Ca -0.48 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.61 1n0e h PRO 70 Cb 1.18 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1n0e h PRO 70 CO 0.64 0.42 0.36 1.96 -0.21 0.00 0.00 178.00 181.17 1n0e h GLN 71 N 0.65 0.70 -0.19 1.05 7.50 -1.96 0.73 115.11 123.58 1n0e h GLN 71 Ca 0.60 -0.04 -0.08 0.00 0.50 0.00 0.00 58.65 59.62 1n0e h GLN 71 Cb 1.03 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 28.39 1n0e h GLN 71 CO -0.43 0.47 -0.24 -0.44 -1.50 0.00 0.00 178.83 176.68 1n0e h ASP 72 N 0.72 0.35 -0.51 1.46 3.32 -1.43 -2.05 116.42 118.28 1n0e h ASP 72 Ca 0.22 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 1n0e h ASP 72 Cb -0.02 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1n0e h ASP 72 CO -0.08 0.60 0.03 0.15 -1.72 0.00 0.00 179.24 178.22 1n0e h PHE 73 N 0.32 0.99 -0.26 4.55 3.57 -0.16 0.90 116.94 126.84 1n0e h PHE 73 Ca 0.05 -0.14 0.04 0.00 3.53 0.00 0.00 57.97 61.45 1n0e h PHE 73 Cb 0.60 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 1n0e h PHE 73 CO 0.01 0.88 0.01 0.37 -2.23 0.00 0.00 178.31 177.35 1n0e h GLN 74 N 0.86 0.09 -0.33 1.11 5.75 -0.21 -0.59 115.11 121.80 1n0e h GLN 74 Ca 0.17 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.53 1n0e h GLN 74 Cb 0.46 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 1n0e h GLN 74 CO 0.02 0.06 -0.33 0.87 -2.65 0.00 0.00 178.83 176.80 1n0e h LYS 75 N 0.09 0.71 -0.37 1.69 1.57 -0.99 -2.29 116.57 116.98 1n0e h LYS 75 Ca 0.13 -0.33 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1n0e h LYS 75 Cb 0.16 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1n0e h LYS 75 CO -0.20 0.94 0.20 -0.92 -0.57 0.00 0.00 179.45 178.89 1n0e h TYR 76 N 0.60 0.37 -0.24 -1.35 3.20 -0.33 -2.86 116.97 116.36 1n0e h TYR 76 Ca 0.07 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1n0e h TYR 76 Cb 0.85 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1n0e h TYR 76 CO 0.04 0.20 0.09 0.35 -1.64 0.00 0.00 178.16 177.20 1n0e h PHE 77 N 0.40 0.37 -0.14 -3.82 3.57 -1.01 -2.59 116.94 113.72 1n0e h PHE 77 Ca 0.15 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.66 1n0e h PHE 77 Cb 0.04 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1n0e h PHE 77 CO -0.09 0.40 0.38 0.93 -2.23 0.00 0.00 178.31 177.71 1n0e h GLU 78 N 0.23 0.00 -0.18 1.11 5.08 -1.20 0.91 114.58 120.54 1n0e h GLU 78 Ca 0.08 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.24 1n0e h GLU 78 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1n0e h GLU 78 CO -0.01 0.00 -0.68 1.96 -1.00 0.00 0.00 179.01 179.28 1n0e h GLN 79 N 0.00 0.72 0.00 2.33 4.20 -1.25 -3.02 115.11 118.09 1n0e h GLN 79 Ca 0.07 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1n0e h GLN 79 Cb 0.83 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1n0e h GLN 79 CO -0.00 1.15 0.00 0.74 -0.67 0.00 0.00 178.83 180.05 1n0e h PHE 80 N 0.52 0.00 -0.00 2.96 0.04 0.83 -2.28 116.94 119.00 1n0e h PHE 80 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1n0e h PHE 80 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1n0e h PHE 80 CO 0.07 0.00 -0.06 0.09 -0.60 0.00 0.00 178.31 177.81 1n0e n ASN 81 N -2.45 0.28 -0.29 2.17 4.13 -1.11 -2.56 115.26 115.43 1n0e n ASN 81 Ca 0.01 -0.48 0.12 0.00 1.68 0.00 0.00 54.58 55.90 1n0e n ASN 81 Cb 0.18 -0.14 0.54 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 -1.06 0.88 -4.70 6.41 3.41 -0.86 -4.76 113.62 112.95 1n0e n SER 82 Ca 0.15 -1.48 -0.35 0.00 -0.26 0.00 0.00 58.87 56.93 1n0e n SER 82 Cb 0.25 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.92 3.32 0.00 7.33 0.08 -1.06 -5.05 117.98 120.68 1n0e s PHE 83 Ca 0.34 0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.59 1n0e s PHE 83 Cb 0.17 -2.02 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 1n0e s PHE 83 CO 0.28 0.33 0.10 -2.30 -0.10 0.00 0.00 175.22 173.52 1n0e n PRO 84 N 3.03 0.00 0.00 0.24 -0.02 -1.26 -4.82 135.00 132.16 1n0e n PRO 84 Ca -0.17 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1n0e n PRO 84 Cb 0.53 -0.15 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 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 -1.51 0.00 -0.00 2.55 2.88 -1.26 -4.70 113.62 111.57 1n0e n SER 85 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1n0e n SER 85 Cb 0.00 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 63.90 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 -1.01 0.00 -3.21 2.46 -2.24 -1.26 -4.66 114.28 104.36 1n0e n THR 86 Ca 0.00 -0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 1n0e n THR 86 Cb 0.00 -0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.98 4.38 0.21 -0.78 -1.52 -1.26 -4.99 119.66 112.72 1n0e s GLN 87 Ca 0.13 0.62 -0.09 0.00 -1.95 0.00 0.00 55.36 54.06 1n0e s GLN 87 Cb 0.18 -3.44 0.29 0.00 -0.22 0.00 0.00 33.01 29.82 1n0e s GLN 87 CO 0.61 0.12 1.73 -0.22 -0.25 0.00 0.00 175.29 177.28 1n0e h LYS 88 N 6.73 0.35 -0.94 2.91 3.64 -2.01 -2.01 116.57 125.25 1n0e h LYS 88 Ca -0.41 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.00 1n0e h LYS 88 Cb 1.19 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 1n0e h LYS 88 CO 0.75 0.23 0.60 -0.44 -2.27 0.00 0.00 179.45 178.33 1n0e h ASP 89 N 0.36 0.97 -0.26 4.20 3.32 -1.96 -0.84 116.42 122.21 1n0e h ASP 89 Ca 0.31 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.40 1n0e h ASP 89 Cb 0.41 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1n0e h ASP 89 CO -0.34 0.64 0.03 0.74 -1.72 0.00 0.00 179.24 178.60 1n0e h THR 90 N 1.12 0.85 -0.84 0.35 2.02 -1.74 0.01 112.91 114.68 1n0e h THR 90 Ca 0.39 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.51 1n0e h THR 90 Cb 0.10 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1n0e h THR 90 CO -0.15 0.02 0.46 0.03 0.37 0.00 0.00 175.52 176.25 1n0e h ARG 91 N 0.12 1.18 -0.21 6.66 3.08 -1.17 -0.63 114.38 123.41 1n0e h ARG 91 Ca 0.12 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1n0e h ARG 91 Cb 0.14 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1n0e h ARG 91 CO -0.18 0.87 0.07 1.15 -1.07 0.00 0.00 179.97 180.81 1n0e h THR 92 N 1.18 1.18 0.02 2.04 2.02 -0.64 -0.53 112.91 118.18 1n0e h THR 92 Ca 0.30 -0.55 0.03 0.00 0.77 0.00 0.00 66.41 66.95 1n0e h THR 92 Cb 0.03 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1n0e h THR 92 CO -0.05 0.18 -0.22 0.25 0.37 0.00 0.00 175.52 176.05 1n0e h LEU 93 N 0.17 -0.65 -1.52 2.58 5.85 -0.65 0.38 115.31 121.46 1n0e h LEU 93 Ca 0.07 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1n0e h LEU 93 Cb 0.21 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1n0e h LEU 93 CO -0.00 -0.30 0.32 0.11 -0.34 0.00 0.00 178.44 178.23 1n0e h LYS 94 N -0.36 0.64 -0.03 1.25 1.57 -1.04 -1.07 116.57 117.52 1n0e h LYS 94 Ca 0.06 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.58 1n0e h LYS 94 Cb 0.43 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1n0e h LYS 94 CO -0.19 0.42 -0.88 0.00 -0.57 0.00 0.00 179.45 178.23 1n0e h ARG 95 N 0.66 0.44 0.00 3.15 3.08 -0.20 -2.02 114.38 119.48 1n0e h ARG 95 Ca 0.18 -0.43 -0.08 0.00 0.07 0.00 0.00 59.98 59.71 1n0e h ARG 95 Cb -0.07 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1n0e h ARG 95 CO -0.04 1.08 -0.40 -0.07 -1.07 0.00 0.00 179.97 179.48 1n0e h LEU 96 N 0.27 0.00 0.00 3.04 3.38 0.36 -3.08 115.31 119.28 1n0e h LEU 96 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1n0e h LEU 96 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1n0e h LEU 96 CO 0.15 0.40 -0.04 0.40 0.09 0.00 0.00 178.44 179.44 1n0e h ILE 97 N 0.00 0.00 0.00 1.22 2.04 -1.18 -3.38 117.51 116.21 1n0e h ILE 97 Ca -0.00 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1n0e h ILE 97 Cb 0.92 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1n0e h ILE 97 CO 0.05 0.00 -0.12 -0.26 0.00 0.00 0.00 178.15 177.82 1n0e h PHE 98 N -0.13 0.00 0.00 1.37 0.04 -1.54 -1.70 116.94 114.98 1n0e h PHE 98 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1n0e h PHE 98 Cb 0.04 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 1n0e h PHE 98 CO -0.02 0.12 -0.06 0.00 -0.60 0.00 0.00 178.31 177.75 1n0e h ALA 99 N 1.88 1.08 -0.32 2.45 0.00 -1.70 -2.31 119.26 120.34 1n0e h ALA 99 Ca -0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1n0e h ALA 99 Cb 0.21 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1n0e h ALA 99 CO 0.02 0.07 -0.01 0.09 0.00 0.00 0.00 179.25 179.42 1n0e n ASN 100 N -3.27 3.22 -4.77 0.00 3.02 -0.65 -4.98 115.26 107.83 1n0e n ASN 100 Ca -0.01 -3.38 -0.32 0.00 -0.03 0.00 0.00 54.58 50.85 1n0e n ASN 100 Cb 0.25 -0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 38.76 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 -3.04 3.55 0.01 5.41 0.00 -0.87 -3.39 121.76 123.43 1n0e s ALA 101 Ca 0.44 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 1n0e s ALA 101 Cb 0.37 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 22.03 1n0e s ALA 101 CO 0.05 0.72 0.31 -0.80 0.00 0.00 0.00 175.76 176.04 1n0e s ASN 102 N -2.08 -0.17 0.10 0.00 -0.87 -1.26 -4.80 114.94 105.85 1n0e s ASN 102 Ca 0.26 -0.03 -0.22 0.00 -1.57 0.00 0.00 52.86 51.30 1n0e s ASN 102 Cb -0.12 0.33 -0.07 0.00 -0.02 0.00 0.00 41.25 41.37 1n0e s ASN 102 CO 0.18 -0.52 0.65 -0.36 -2.57 0.00 0.00 177.10 174.48 1n0e s PHE 103 N -1.86 3.83 -0.02 2.20 0.08 -1.26 -0.91 117.98 120.04 1n0e s PHE 103 Ca -0.10 1.41 0.00 0.00 0.12 0.00 0.00 56.93 58.36 1n0e s PHE 103 Cb -0.03 -2.62 0.03 0.00 -0.57 0.00 0.00 43.02 39.83 1n0e s PHE 103 CO 0.01 0.53 0.02 0.08 -0.10 0.00 0.00 175.22 175.76 1n0e s VAL 104 N -0.99 -0.01 0.07 -0.44 1.01 0.67 -4.95 120.40 115.76 1n0e s VAL 104 Ca 0.32 0.17 -0.26 0.00 0.00 0.00 0.00 61.98 62.21 1n0e s VAL 104 Cb -0.21 -0.11 -0.06 0.00 0.00 0.00 0.00 36.38 36.00 1n0e s VAL 104 CO 0.22 0.09 0.81 -1.81 0.00 0.00 0.00 175.10 174.40 1n0e s ASP 105 N 0.97 7.29 -0.31 3.32 1.01 -1.26 -0.81 116.67 126.88 1n0e s ASP 105 Ca -0.08 1.54 -0.24 0.00 0.71 0.00 0.00 52.55 54.48 1n0e s ASP 105 Cb -0.12 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1n0e s ASP 105 CO -0.02 0.03 0.81 -0.69 0.21 0.00 0.00 175.17 175.50 1n0e s VAL 106 N -0.19 4.76 1.15 -1.27 1.01 0.17 -4.61 120.40 121.42 1n0e s VAL 106 Ca 0.40 1.19 -0.17 0.00 0.00 0.00 0.00 61.98 63.40 1n0e s VAL 106 Cb -0.21 -4.17 0.26 0.00 0.00 0.00 0.00 36.38 32.25 1n0e s VAL 106 CO 0.25 -0.29 1.09 1.51 0.00 0.00 0.00 175.10 177.66 1n0e s ASP 107 N 1.65 1.33 0.44 3.32 3.84 -0.56 -4.80 116.67 121.90 1n0e s ASP 107 Ca 0.33 0.87 0.21 0.00 -0.00 0.00 0.00 52.55 53.96 1n0e s ASP 107 Cb -0.14 -1.29 1.19 0.00 -1.38 0.00 0.00 42.92 41.30 1n0e s ASP 107 CO 0.13 -3.89 1.84 0.71 -0.00 0.00 0.00 175.17 173.96 1n0e h THR 108 N -2.42 0.61 -0.20 2.11 1.35 -1.96 0.02 112.91 112.42 1n0e h THR 108 Ca -0.49 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1n0e h THR 108 Cb 1.31 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1n0e h THR 108 CO 0.43 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.75 1n0e n ALA 109 N -2.56 2.50 -1.02 6.62 0.00 -1.26 -4.89 120.51 119.91 1n0e n ALA 109 Ca 0.21 -0.45 -0.01 0.00 0.00 0.00 0.00 53.44 53.19 1n0e n ALA 109 Cb 0.81 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 1.00 0.47 3.88 0.00 0.00 -0.01 -4.80 105.19 105.72 1n0e n GLY 110 Ca 0.13 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.10 3.78 -0.08 1.61 0.52 -1.26 -0.31 118.95 122.12 1n0e s ARG 111 Ca 0.00 0.26 0.01 0.00 -0.52 0.00 0.00 55.73 55.48 1n0e s ARG 111 Cb 0.00 -2.62 0.02 0.00 0.52 0.00 0.00 34.95 32.87 1n0e s ARG 111 CO 0.00 0.27 -0.08 0.08 0.02 0.00 0.00 175.30 175.59 1n0e s VAL 112 N -1.90 0.94 -0.27 3.52 1.01 -0.07 -1.50 120.40 122.13 1n0e s VAL 112 Ca 0.47 -0.31 -0.22 0.00 0.00 0.00 0.00 61.98 61.92 1n0e s VAL 112 Cb -0.11 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 1n0e s VAL 112 CO 0.23 0.33 0.71 -0.22 0.00 0.00 0.00 175.10 176.15 1n0e s LEU 113 N 1.13 4.09 -0.15 3.92 0.20 -1.26 -1.56 118.68 125.05 1n0e s LEU 113 Ca -0.06 0.72 -0.22 0.00 0.69 0.00 0.00 54.13 55.25 1n0e s LEU 113 Cb -0.14 -2.98 -0.03 0.00 -0.43 0.00 0.00 46.19 42.61 1n0e s LEU 113 CO -0.01 -0.49 0.68 -0.63 -0.29 0.00 0.00 176.35 175.61 1n0e s ILE 114 N 2.72 5.01 0.58 6.68 1.01 -0.13 -4.99 121.20 132.07 1n0e s ILE 114 Ca 0.29 1.33 -0.19 0.00 0.00 0.00 0.00 60.65 62.09 1n0e s ILE 114 Cb -0.15 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 1n0e s ILE 114 CO 0.10 0.14 0.76 -2.65 0.00 0.00 0.00 174.94 173.30 1n0e n PRO 115 N 4.66 0.73 0.00 2.79 -0.02 -1.26 -4.71 135.00 137.19 1n0e n PRO 115 Ca -0.00 0.28 -0.09 0.00 -2.02 0.00 0.00 63.50 61.67 1n0e n PRO 115 Cb 0.50 -1.94 -0.03 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 0.42 -0.48 -0.89 2.55 2.35 -1.98 -0.32 115.58 117.23 1n0e h ASN 116 Ca -0.47 0.09 0.11 0.00 -0.55 0.00 0.00 56.30 55.48 1n0e h ASN 116 Cb 1.38 0.23 -0.08 0.00 0.05 0.00 0.00 38.32 39.90 1n0e h ASN 116 CO 0.49 -0.20 0.52 -0.55 -1.65 0.00 0.00 177.43 176.05 1n0e h ASN 117 N -0.19 0.75 0.06 5.81 -0.00 -2.00 -1.52 115.58 118.49 1n0e h ASN 117 Ca 0.09 0.05 -0.17 0.00 -0.00 0.00 0.00 56.30 56.27 1n0e h ASN 117 Cb 0.33 -0.09 -0.00 0.00 -0.00 0.00 0.00 38.32 38.55 1n0e h ASN 117 CO -0.24 0.41 -0.62 -0.07 -0.00 0.00 0.00 177.43 176.91 1n0e h LEU 118 N 0.85 0.62 -0.53 6.14 4.07 -1.80 -1.07 115.31 123.58 1n0e h LEU 118 Ca 0.44 -0.36 0.05 0.00 0.08 0.00 0.00 57.88 58.08 1n0e h LEU 118 Cb 0.43 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.95 1n0e h LEU 118 CO -0.26 1.09 0.28 0.40 -1.08 0.00 0.00 178.44 178.86 1n0e h ILE 119 N 0.40 0.96 -0.10 1.22 1.08 -0.13 -1.70 117.51 119.24 1n0e h ILE 119 Ca -0.01 -0.18 -0.02 0.00 -0.39 0.00 0.00 64.86 64.26 1n0e h ILE 119 Cb 1.18 0.38 -0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1n0e h ILE 119 CO 0.12 0.10 -0.02 0.78 -0.69 0.00 0.00 178.15 178.43 1n0e h ASN 120 N 0.53 0.20 -0.96 1.72 2.35 -1.21 0.33 115.58 118.54 1n0e h ASN 120 Ca 0.23 -0.36 0.11 0.00 -0.55 0.00 0.00 56.30 55.73 1n0e h ASN 120 Cb 0.14 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.38 1n0e h ASN 120 CO -0.16 0.51 0.61 0.44 -1.65 0.00 0.00 177.43 177.19 1n0e h ASP 121 N -0.12 0.88 -0.33 5.81 3.32 -0.95 -1.30 116.42 123.73 1n0e h ASP 121 Ca 0.03 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1n0e h ASP 121 Cb 0.43 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1n0e h ASP 121 CO 0.01 0.50 0.00 0.00 -1.72 0.00 0.00 179.24 178.03 1n0e n ALA 122 N -2.38 2.46 -3.69 3.45 0.00 -0.66 -4.81 120.51 114.88 1n0e n ALA 122 Ca 0.17 -0.81 -0.28 0.00 0.00 0.00 0.00 53.44 52.52 1n0e n ALA 122 Cb 0.32 -0.97 0.02 0.00 0.00 0.00 0.00 19.45 18.83 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 0.99 -5.07 -2.34 0.00 4.76 -0.49 -4.32 118.16 111.69 1n0e n LYS 123 Ca 0.18 0.61 -0.42 0.00 -2.87 0.00 0.00 58.31 55.81 1n0e n LYS 123 Cb 0.48 -5.47 -0.03 0.00 -1.84 0.00 0.00 35.03 28.17 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 -7.06 4.35 0.00 -0.35 1.02 0.02 -4.80 118.68 111.86 1n0e s LEU 124 Ca 0.57 2.07 0.00 0.00 0.02 0.00 0.00 54.13 56.79 1n0e s LEU 124 Cb -0.29 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.35 1n0e s LEU 124 CO 0.70 -0.57 0.00 -0.67 0.02 0.00 0.00 176.35 175.84 1n0e n ASP 125 N 4.37 0.00 -3.75 2.29 2.03 -1.26 -4.81 116.55 115.42 1n0e n ASP 125 Ca 0.10 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.29 1n0e n ASP 125 Cb 0.45 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.74 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 -0.03 0.40 0.00 -0.67 2.20 -1.26 -4.66 119.74 115.73 1n0e s LYS 126 Ca 0.00 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 1n0e s LYS 126 Cb 0.00 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 1n0e s LYS 126 CO 0.00 -0.06 0.00 0.39 -0.36 0.00 0.00 175.35 175.32 1n0e n GLU 127 N 3.04 0.00 -4.23 4.03 1.02 -1.26 -4.79 120.64 118.46 1n0e n GLU 127 Ca -0.14 0.40 -0.27 0.00 -0.02 0.00 0.00 57.16 57.13 1n0e n GLU 127 Cb 0.57 -0.79 -0.08 0.00 -0.02 0.00 0.00 31.44 31.12 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 3.57 -0.13 -3.67 -1.09 0.20 -1.76 121.20 118.32 1n0e s ILE 128 Ca 0.00 -1.48 0.01 0.00 -2.23 0.00 0.00 60.65 56.95 1n0e s ILE 128 Cb 0.00 -2.78 0.02 0.00 -1.58 0.00 0.00 42.46 38.12 1n0e s ILE 128 CO 0.00 -0.10 -0.13 -0.69 -1.23 0.00 0.00 174.94 172.78 1n0e s VAL 129 N -1.71 1.47 -0.22 2.92 1.01 -0.38 -1.28 120.40 122.21 1n0e s VAL 129 Ca 0.27 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 1n0e s VAL 129 Cb -0.09 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1n0e s VAL 129 CO 0.18 0.44 0.08 -0.76 0.00 0.00 0.00 175.10 175.04 1n0e s LEU 130 N 1.41 3.68 -0.06 3.92 1.43 0.12 -0.80 118.68 128.38 1n0e s LEU 130 Ca 0.02 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.13 1n0e s LEU 130 Cb -0.13 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 1n0e s LEU 130 CO -0.08 0.06 -0.24 0.27 0.23 0.00 0.00 176.35 176.59 1n0e s ILE 131 N 1.04 2.16 0.04 -0.59 -4.36 -0.81 0.55 121.20 119.23 1n0e s ILE 131 Ca 0.05 -1.03 -0.27 0.00 -0.26 0.00 0.00 60.65 59.13 1n0e s ILE 131 Cb -0.14 -1.79 -0.05 0.00 1.25 0.00 0.00 42.46 41.74 1n0e s ILE 131 CO 0.03 0.57 0.85 -0.83 0.24 0.00 0.00 174.94 175.80 1n0e s GLY 132 N -0.20 2.85 -0.24 6.27 0.00 0.11 -1.77 107.32 114.33 1n0e s GLY 132 Ca -0.02 0.39 0.09 0.00 0.00 0.00 0.00 44.72 45.18 1n0e s GLY 132 CO 0.03 1.33 1.21 -1.06 0.00 0.00 0.00 173.10 174.61 1n0e n GLN 133 N 3.18 2.41 0.00 2.90 1.13 0.72 -4.34 117.38 123.38 1n0e n GLN 133 Ca 0.01 -3.65 0.00 0.00 -1.94 0.00 0.00 57.00 51.42 1n0e n GLN 133 Cb 0.50 -1.89 0.00 0.00 0.11 0.00 0.00 30.24 28.96 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 -0.96 0.00 -0.16 1.08 7.35 0.29 -3.44 117.46 121.62 1n0e n PHE 134 Ca 0.29 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.87 1n0e n PHE 134 Cb 0.81 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.64 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 1.03 -4.13 -2.13 3.32 -1.94 -2.84 116.42 109.74 1n0e h ASP 135 Ca 0.00 -0.39 -0.34 0.00 0.02 0.00 0.00 57.03 56.32 1n0e h ASP 135 Cb 0.00 -0.28 -0.09 0.00 0.22 0.00 0.00 39.33 39.18 1n0e h ASP 135 CO 0.00 1.19 -0.29 0.00 -1.72 0.00 0.00 179.24 178.42 1n0e n HIS 136 N -4.12 -0.92 -4.53 4.55 1.44 -1.22 -4.78 115.22 105.63 1n0e n HIS 136 Ca 0.00 -2.24 -0.25 0.00 -2.01 0.00 0.00 57.72 53.22 1n0e n HIS 136 Cb 0.45 0.34 -0.14 0.00 0.12 0.00 0.00 29.99 30.76 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 2.20 -0.01 2.39 0.20 -0.09 -0.20 118.68 123.17 1n0e s LEU 137 Ca 0.30 -0.56 0.08 0.00 0.69 0.00 0.00 54.13 54.64 1n0e s LEU 137 Cb 0.01 -0.92 -0.02 0.00 -0.43 0.00 0.00 46.19 44.82 1n0e s LEU 137 CO 0.22 0.12 -0.25 -1.61 -0.29 0.00 0.00 176.35 174.54 1n0e s GLU 138 N -1.36 2.08 -0.18 1.98 2.02 -0.73 0.49 118.70 122.99 1n0e s GLU 138 Ca 0.07 -0.95 -0.05 0.00 0.02 0.00 0.00 54.97 54.06 1n0e s GLU 138 Cb -0.09 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 1n0e s GLU 138 CO 0.02 0.56 -0.00 0.42 0.02 0.00 0.00 175.26 176.28 1n0e s ILE 139 N -0.67 4.05 0.17 -1.63 1.01 -0.45 -1.92 121.20 121.76 1n0e s ILE 139 Ca 0.11 -0.29 0.07 0.00 0.00 0.00 0.00 60.65 60.53 1n0e s ILE 139 Cb -0.10 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1n0e s ILE 139 CO -0.00 0.45 -0.14 0.26 0.00 0.00 0.00 174.94 175.52 1n0e s TRP 140 N 0.70 1.54 0.08 3.97 0.52 0.02 -4.08 118.94 121.69 1n0e s TRP 140 Ca -0.00 -0.60 -0.28 0.00 0.02 0.00 0.00 56.10 55.23 1n0e s TRP 140 Cb -0.14 -0.75 -0.06 0.00 -1.15 0.00 0.00 33.47 31.37 1n0e s TRP 140 CO 0.02 0.24 0.89 0.34 0.02 0.00 0.00 176.95 178.46 1n0e s ASP 141 N -3.01 7.39 0.21 2.95 2.15 -1.26 -1.25 116.67 123.85 1n0e s ASP 141 Ca 0.17 1.66 -0.10 0.00 0.43 0.00 0.00 52.55 54.71 1n0e s ASP 141 Cb -0.01 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.36 1n0e s ASP 141 CO 0.04 -0.04 1.70 0.50 -0.17 0.00 0.00 175.17 177.21 1n0e h LYS 142 N 5.64 0.25 0.56 4.34 3.64 -1.65 -1.54 116.57 127.82 1n0e h LYS 142 Ca -0.43 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.91 1n0e h LYS 142 Cb 1.21 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1n0e h LYS 142 CO 0.72 0.17 -0.29 -0.22 -2.27 0.00 0.00 179.45 177.55 1n0e h LYS 143 N 0.26 -0.75 -0.81 1.90 1.63 -1.92 -2.01 116.57 114.87 1n0e h LYS 143 Ca 0.32 0.05 0.14 0.00 -0.85 0.00 0.00 60.65 60.31 1n0e h LYS 143 Cb 0.47 0.17 -0.09 0.00 -0.60 0.00 0.00 32.23 32.18 1n0e h LYS 143 CO -0.41 -0.50 0.40 -0.07 -3.45 0.00 0.00 179.45 175.42 1n0e h LEU 144 N -0.78 0.47 0.03 5.20 4.07 -1.89 0.48 115.31 122.89 1n0e h LEU 144 Ca -0.07 0.09 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1n0e h LEU 144 Cb 0.61 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1n0e h LEU 144 CO 0.11 0.20 -0.01 0.22 -1.08 0.00 0.00 178.44 177.88 1n0e h TYR 145 N 0.59 -0.03 -0.80 1.13 3.20 -1.14 0.55 116.97 120.45 1n0e h TYR 145 Ca 0.44 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.32 1n0e h TYR 145 Cb 0.61 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 1n0e h TYR 145 CO -0.11 0.09 0.53 0.93 -1.64 0.00 0.00 178.16 177.97 1n0e h GLU 146 N -0.16 1.04 -0.46 1.82 5.08 -0.58 0.18 114.58 121.51 1n0e h GLU 146 Ca -0.00 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1n0e h GLU 146 Cb 0.14 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1n0e h GLU 146 CO 0.01 0.69 0.06 -0.44 -1.00 0.00 0.00 179.01 178.32 1n0e h ASP 147 N 1.07 0.74 -0.28 1.42 3.32 -0.67 0.45 116.42 122.47 1n0e h ASP 147 Ca 0.30 -0.27 0.04 0.00 0.02 0.00 0.00 57.03 57.12 1n0e h ASP 147 Cb -0.10 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 1n0e h ASP 147 CO -0.07 0.82 0.06 0.22 -1.72 0.00 0.00 179.24 178.55 1n0e h TYR 148 N 0.63 0.10 -0.42 4.55 3.20 0.42 0.91 116.97 126.35 1n0e h TYR 148 Ca 0.14 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 1n0e h TYR 148 Cb 0.40 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 1n0e h TYR 148 CO 0.03 0.02 0.17 -0.07 -1.64 0.00 0.00 178.16 176.67 1n0e h LEU 149 N 0.16 0.58 -0.67 2.82 4.07 -0.37 -2.90 115.31 119.01 1n0e h LEU 149 Ca 0.13 -0.17 0.06 0.00 0.08 0.00 0.00 57.88 57.98 1n0e h LEU 149 Cb 0.13 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 41.67 1n0e h LEU 149 CO -0.17 0.59 0.37 0.00 -1.08 0.00 0.00 178.44 178.15 1n0e h ALA 150 N 1.01 0.90 -3.00 1.53 0.00 0.68 -3.39 119.26 117.00 1n0e h ALA 150 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1n0e h ALA 150 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1n0e h ALA 150 CO -0.01 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.36 1n0e n ASN 151 N -4.80 0.00 -1.41 0.00 3.02 0.24 -4.98 115.26 107.33 1n0e n ASN 151 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1n0e n ASN 151 Cb 0.19 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 -6.74 -3.90 6.41 2.88 -1.21 -4.93 113.62 106.14 1n0e n SER 152 Ca 0.00 0.90 -0.30 0.00 -1.33 0.00 0.00 58.87 58.14 1n0e n SER 152 Cb 0.00 -3.41 0.23 0.00 -0.75 0.00 0.00 64.21 60.29 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 -1.99 -0.99 0.94 -1.46 2.02 -1.26 -5.01 118.70 110.95 1n0e s GLU 153 Ca 0.00 -0.06 -0.12 0.00 0.02 0.00 0.00 54.97 54.82 1n0e s GLU 153 Cb 0.00 -1.62 0.15 0.00 0.10 0.00 0.00 34.13 32.76 1n0e s GLU 153 CO 0.00 -3.56 1.09 -1.54 0.02 0.00 0.00 175.26 171.27 1n0e s SER 154 N -3.94 3.10 0.11 -0.19 1.04 -1.26 -4.85 113.70 107.71 1n0e s SER 154 Ca 0.71 1.38 -0.17 0.00 0.48 0.00 0.00 55.95 58.35 1n0e s SER 154 Cb -0.10 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 1n0e s SER 154 CO 0.56 -2.86 1.59 0.25 0.98 0.00 0.00 173.24 173.76 1n0e h LEU 155 N -1.70 0.52 -0.46 2.42 5.85 -1.99 -2.07 115.31 117.87 1n0e h LEU 155 Ca -0.52 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 57.92 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 0.56 0.65 0.18 -0.33 -0.34 0.00 0.00 178.44 179.15 1n0e h GLU 156 N 0.38 0.70 0.49 1.25 3.07 -1.98 -1.14 114.58 117.35 1n0e h GLU 156 Ca 0.10 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1n0e h GLU 156 Cb 0.34 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1n0e h GLU 156 CO 0.01 0.63 -0.27 1.15 -1.40 0.00 0.00 179.01 179.13 1n0e h THR 157 N 0.61 0.44 -0.23 1.13 2.02 -1.91 -0.70 112.91 114.26 1n0e h THR 157 Ca 0.15 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.34 1n0e h THR 157 Cb 0.20 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1n0e h THR 157 CO -0.01 0.00 0.13 0.58 0.37 0.00 0.00 175.52 176.58 1n0e h VAL 158 N -0.71 1.01 -0.91 3.16 2.07 -1.38 -2.86 116.25 116.63 1n0e h VAL 158 Ca -0.06 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1n0e h VAL 158 Cb 0.57 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1n0e h VAL 158 CO 0.08 0.05 0.59 0.00 0.02 0.00 0.00 177.57 178.31 1n0e h ALA 159 N 1.11 1.21 -0.04 1.67 0.00 -1.10 -1.86 119.26 120.25 1n0e h ALA 159 Ca 0.09 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1n0e h ALA 159 Cb 0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1n0e h ALA 159 CO -0.05 0.46 0.05 1.49 0.00 0.00 0.00 179.25 181.20 1n0e h GLU 160 N 1.15 0.00 0.00 0.00 4.57 -0.89 -1.24 114.58 118.18 1n0e h GLU 160 Ca 0.36 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 1n0e h GLU 160 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1n0e h GLU 160 CO -0.12 0.00 -0.20 0.54 -1.18 0.00 0.00 179.01 178.05 1n0e n ARG 161 N -3.82 0.03 0.00 1.92 1.74 -0.70 -5.12 116.66 110.71 1n0e n ARG 161 Ca -0.02 0.02 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 1n0e n ARG 161 Cb 0.14 -1.53 0.31 0.00 -1.02 0.00 0.00 32.46 30.36 1n0e n ARG 161 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78