#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pg5 s VAL 12 N 0.00 3.01 0.87 1.12 0.11 -1.26 -5.10 120.40 119.14 1pg5 s VAL 12 Ca 0.00 -1.48 -0.11 0.00 -2.93 0.00 0.00 61.98 57.46 1pg5 s VAL 12 Cb 0.00 -2.40 0.12 0.00 -1.53 0.00 0.00 36.38 32.57 1pg5 s VAL 12 CO 0.00 0.07 1.16 -0.94 -3.33 0.00 0.00 175.10 172.06 1pg5 s SER 13 N -2.25 3.25 0.45 3.54 1.04 -1.26 -4.98 113.70 113.48 1pg5 s SER 13 Ca 0.20 2.22 -0.23 0.00 0.48 0.00 0.00 55.95 58.62 1pg5 s SER 13 Cb -0.10 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.37 1pg5 s SER 13 CO 0.12 -2.89 1.15 -0.54 0.98 0.00 0.00 173.24 172.06 1pg5 s LYS 14 N -4.50 3.81 -0.13 4.02 -0.14 -1.26 -5.03 119.74 116.50 1pg5 s LYS 14 Ca 0.68 1.75 -0.04 0.00 -1.36 0.00 0.00 55.97 57.00 1pg5 s LYS 14 Cb -0.24 -2.43 -0.04 0.00 -1.68 0.00 0.00 37.83 33.45 1pg5 s LYS 14 CO 0.55 -0.51 0.03 -1.50 -0.76 0.00 0.00 175.35 173.17 1pg5 s ILE 15 N -1.55 4.56 -0.05 2.17 2.07 -1.26 -5.02 121.20 122.12 1pg5 s ILE 15 Ca 0.63 -0.14 -0.17 0.00 -1.41 0.00 0.00 60.65 59.57 1pg5 s ILE 15 Cb -0.28 -2.98 -0.11 0.00 0.13 0.00 0.00 42.46 39.22 1pg5 s ILE 15 CO 0.34 0.55 0.68 0.50 -1.91 0.00 0.00 174.94 175.10 1pg5 h LYS 16 N 5.82 -0.36 -4.14 3.50 3.64 -1.96 -3.34 116.57 119.73 1pg5 h LYS 16 Ca -0.44 0.02 -0.45 0.00 -1.27 0.00 0.00 60.65 58.52 1pg5 h LYS 16 Cb 1.19 0.08 -0.34 0.00 -0.41 0.00 0.00 32.23 32.75 1pg5 h LYS 16 CO 0.61 -0.09 -0.78 -0.80 -2.27 0.00 0.00 179.45 176.12 1pg5 s ASN 17 N -5.20 1.29 0.00 4.20 0.01 -1.26 -0.93 114.94 113.05 1pg5 s ASN 17 Ca -0.09 -0.18 0.00 0.00 -0.71 0.00 0.00 52.86 51.88 1pg5 s ASN 17 Cb 0.01 -0.57 0.00 0.00 0.41 0.00 0.00 41.25 41.09 1pg5 s ASN 17 CO 0.32 -0.05 0.00 0.61 -1.51 0.00 0.00 177.10 176.47 1pg5 n GLY 18 N 4.13 0.05 3.17 0.66 0.00 0.07 -0.90 105.19 112.38 1pg5 n GLY 18 Ca -0.22 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 1pg5 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pg5 s THR 19 N -2.69 1.55 -0.18 2.61 2.01 -0.36 -0.09 115.64 118.48 1pg5 s THR 19 Ca 0.00 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.21 1pg5 s THR 19 Cb 0.00 -1.31 0.01 0.00 0.01 0.00 0.00 72.50 71.21 1pg5 s THR 19 CO 0.00 0.44 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.50 1pg5 s VAL 20 N -0.14 2.26 -0.38 3.82 1.01 -0.38 -1.28 120.40 125.32 1pg5 s VAL 20 Ca -0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 1pg5 s VAL 20 Cb -0.11 -1.96 0.07 0.00 0.00 0.00 0.00 36.38 34.38 1pg5 s VAL 20 CO 0.01 0.52 0.17 -0.63 0.00 0.00 0.00 175.10 175.18 1pg5 s ILE 21 N 1.25 3.78 0.41 2.22 1.01 0.25 -1.17 121.20 128.95 1pg5 s ILE 21 Ca 0.03 -1.43 0.08 0.00 0.00 0.00 0.00 60.65 59.33 1pg5 s ILE 21 Cb -0.14 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 1pg5 s ILE 21 CO -0.10 -0.39 0.39 -0.62 0.00 0.00 0.00 174.94 174.22 1pg5 s ASP 22 N 1.75 5.12 -1.49 3.58 -1.08 -0.89 -1.30 116.67 122.37 1pg5 s ASP 22 Ca 0.02 -0.70 -0.03 0.00 -0.52 0.00 0.00 52.55 51.31 1pg5 s ASP 22 Cb -0.21 -0.61 0.00 0.00 -1.46 0.00 0.00 42.92 40.64 1pg5 s ASP 22 CO 0.01 -0.64 0.42 1.41 0.52 0.00 0.00 175.17 176.89 1pg5 n HIS 23 N -1.56 -1.58 -2.83 -5.34 8.25 -1.22 -1.89 115.22 109.05 1pg5 n HIS 23 Ca 0.04 0.36 -0.40 0.00 -0.26 0.00 0.00 57.72 57.46 1pg5 n HIS 23 Cb 0.61 -4.11 -0.06 0.00 1.12 0.00 0.00 29.99 27.56 1pg5 n HIS 23 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pg5 s ILE 24 N -3.09 4.18 0.33 1.59 1.01 -1.02 -3.57 121.20 120.62 1pg5 s ILE 24 Ca 0.21 1.95 -0.27 0.00 0.00 0.00 0.00 60.65 62.53 1pg5 s ILE 24 Cb -0.09 -4.26 -0.13 0.00 0.01 0.00 0.00 42.46 37.99 1pg5 s ILE 24 CO 0.26 0.50 1.11 -2.65 0.00 0.00 0.00 174.94 174.15 1pg5 n PRO 25 N 1.50 1.63 -1.62 2.79 -0.02 -1.26 -0.76 135.00 137.25 1pg5 n PRO 25 Ca -0.03 0.57 -0.50 0.00 -2.02 0.00 0.00 63.50 61.52 1pg5 n PRO 25 Cb 0.48 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 1pg5 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pg5 n ALA 26 N 0.14 -0.12 0.00 3.55 0.00 -1.25 -1.86 120.51 120.97 1pg5 n ALA 26 Ca 0.08 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1pg5 n ALA 26 Cb 0.35 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1pg5 n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pg5 n GLY 27 N 2.90 0.99 1.00 0.00 0.00 -1.26 -4.96 105.19 103.87 1pg5 n GLY 27 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1pg5 n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pg5 n ARG 28 N -2.00 3.07 -0.02 1.61 1.74 -0.78 -4.43 116.66 115.85 1pg5 n ARG 28 Ca 0.00 -2.47 -0.01 0.00 -0.77 0.00 0.00 57.85 54.59 1pg5 n ARG 28 Cb 0.00 -1.56 0.26 0.00 -1.02 0.00 0.00 32.46 30.14 1pg5 n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pg5 h ALA 29 N 2.78 1.30 -0.18 7.54 0.00 -1.93 -2.07 119.26 126.70 1pg5 h ALA 29 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1pg5 h ALA 29 Cb 1.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1pg5 h ALA 29 CO 0.09 0.47 -0.32 0.74 0.00 0.00 0.00 179.25 180.24 1pg5 h PHE 30 N 0.55 0.42 -0.04 0.00 -1.00 -1.98 -2.51 116.94 112.37 1pg5 h PHE 30 Ca 0.11 -0.10 -0.14 0.00 2.81 0.00 0.00 57.97 60.66 1pg5 h PHE 30 Cb 0.37 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 1pg5 h PHE 30 CO 0.01 0.65 -0.62 0.00 -1.61 0.00 0.00 178.31 176.74 1pg5 h ALA 31 N 1.35 0.89 0.69 2.45 0.00 -1.79 -2.50 119.26 120.36 1pg5 h ALA 31 Ca 0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1pg5 h ALA 31 Cb 0.72 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1pg5 h ALA 31 CO 0.06 0.75 -0.33 0.28 0.00 0.00 0.00 179.25 180.00 1pg5 h VAL 32 N 0.10 0.21 -0.97 0.00 2.07 -0.96 -1.57 116.25 115.13 1pg5 h VAL 32 Ca -0.01 -0.20 0.21 0.00 0.82 0.00 0.00 66.70 67.53 1pg5 h VAL 32 Cb 1.12 0.26 -0.18 0.00 -1.52 0.00 0.00 31.29 30.96 1pg5 h VAL 32 CO 0.09 0.02 -0.18 0.18 0.02 0.00 0.00 177.57 177.70 1pg5 n LEU 33 N -5.44 -0.29 -0.01 2.57 4.32 -1.02 -1.76 117.00 115.38 1pg5 n LEU 33 Ca -0.13 1.67 -0.11 0.00 -0.02 0.00 0.00 56.01 57.43 1pg5 n LEU 33 Cb 0.39 -0.53 -0.05 0.00 -1.62 0.00 0.00 43.42 41.61 1pg5 n LEU 33 CO 0.34 -1.63 0.90 0.78 -1.22 0.00 0.00 177.39 176.57 1pg5 h ASN 34 N 0.00 0.07 -0.17 -1.43 2.35 -1.38 -1.05 115.58 113.97 1pg5 h ASN 34 Ca 0.50 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 56.30 1pg5 h ASN 34 Cb 0.83 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 1pg5 h ASN 34 CO -0.98 0.06 0.13 0.58 -1.65 0.00 0.00 177.43 175.57 1pg5 h VAL 35 N 0.11 0.84 -0.10 2.81 2.07 -0.48 -1.75 116.25 119.75 1pg5 h VAL 35 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1pg5 h VAL 35 Cb 0.01 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1pg5 h VAL 35 CO -0.03 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.74 1pg5 n LEU 36 N -4.38 1.29 -0.19 2.57 4.77 -0.72 -4.94 117.00 115.40 1pg5 n LEU 36 Ca 0.01 -0.52 -0.03 0.00 -0.03 0.00 0.00 56.01 55.45 1pg5 n LEU 36 Cb 0.26 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1pg5 n LEU 36 CO 0.34 0.26 -0.02 0.61 -1.33 0.00 0.00 177.39 177.24 1pg5 n GLY 37 N 1.08 0.43 3.54 -0.72 0.00 -0.66 -5.00 105.19 103.86 1pg5 n GLY 37 Ca 0.17 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1pg5 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pg5 s ILE 38 N -1.61 4.92 0.00 -0.61 1.01 -0.44 -4.98 121.20 119.50 1pg5 s ILE 38 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1pg5 s ILE 38 Cb 0.00 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1pg5 s ILE 38 CO 0.00 -0.40 0.00 0.29 0.00 0.00 0.00 174.94 174.83 1pg5 n LYS 39 N 5.99 0.00 0.00 2.79 5.02 -1.26 -4.49 118.16 126.21 1pg5 n LYS 39 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1pg5 n LYS 39 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 1pg5 n LYS 39 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1pg5 n GLU 42 N 0.00 0.00 0.00 1.97 1.02 -1.26 -5.21 120.64 117.16 1pg5 n GLU 42 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1pg5 n GLU 42 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1pg5 n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pg5 n GLY 43 N -0.33 2.06 3.76 0.62 0.00 -1.26 -5.09 105.19 104.96 1pg5 n GLY 43 Ca 0.00 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 1pg5 n GLY 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pg5 s PHE 44 N 0.00 2.67 0.39 1.61 -0.12 -1.26 -5.03 117.98 116.23 1pg5 s PHE 44 Ca 0.00 1.50 -0.26 0.00 -0.05 0.00 0.00 56.93 58.12 1pg5 s PHE 44 Cb 0.00 -3.47 -0.09 0.00 -0.63 0.00 0.00 43.02 38.83 1pg5 s PHE 44 CO 0.00 -1.89 1.24 1.03 -0.05 0.00 0.00 175.22 175.55 1pg5 s ARG 45 N -2.89 4.08 -0.02 1.99 3.00 -1.26 -4.95 118.95 118.91 1pg5 s ARG 45 Ca 0.68 2.03 -0.04 0.00 0.00 0.00 0.00 55.73 58.40 1pg5 s ARG 45 Cb -0.31 -2.79 0.00 0.00 0.00 0.00 0.00 34.95 31.85 1pg5 s ARG 45 CO 0.36 -0.35 0.09 0.42 0.00 0.00 0.00 175.30 175.82 1pg5 s ILE 46 N -1.30 0.04 0.02 1.52 1.01 -1.26 -1.89 121.20 119.35 1pg5 s ILE 46 Ca 0.55 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.86 1pg5 s ILE 46 Cb -0.35 -0.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 1pg5 s ILE 46 CO 0.45 -0.20 -0.07 0.00 0.00 0.00 0.00 174.94 175.12 1pg5 s ALA 47 N -0.63 0.52 0.05 9.38 0.00 -0.14 -4.99 121.76 125.95 1pg5 s ALA 47 Ca -0.07 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.38 1pg5 s ALA 47 Cb -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1pg5 s ALA 47 CO 0.00 0.03 -0.13 -0.51 0.00 0.00 0.00 175.76 175.15 1pg5 s LEU 48 N -1.01 2.22 -0.02 0.00 1.43 -1.26 -0.21 118.68 119.83 1pg5 s LEU 48 Ca -0.05 -0.52 0.06 0.00 -1.03 0.00 0.00 54.13 52.59 1pg5 s LEU 48 Cb -0.07 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.64 1pg5 s LEU 48 CO 0.00 -0.04 -0.19 0.68 0.23 0.00 0.00 176.35 177.04 1pg5 s VAL 49 N -1.06 1.47 0.01 -1.59 -7.23 -0.51 -5.00 120.40 106.50 1pg5 s VAL 49 Ca -0.01 -0.80 0.08 0.00 -1.81 0.00 0.00 61.98 59.44 1pg5 s VAL 49 Cb -0.09 -1.23 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 1pg5 s VAL 49 CO 0.01 0.42 -0.25 -0.63 -0.31 0.00 0.00 175.10 174.34 1pg5 s ILE 50 N -0.43 2.16 -1.45 -0.62 1.01 -1.26 -1.45 121.20 119.16 1pg5 s ILE 50 Ca 0.07 -1.22 -0.11 0.00 0.00 0.00 0.00 60.65 59.39 1pg5 s ILE 50 Cb -0.07 -1.80 0.04 0.00 0.01 0.00 0.00 42.46 40.65 1pg5 s ILE 50 CO -0.01 0.48 1.02 0.59 0.00 0.00 0.00 174.94 177.02 1pg5 n ASN 51 N 2.11 -5.62 -4.93 3.58 5.03 -0.83 -4.97 115.26 109.61 1pg5 n ASN 51 Ca -0.16 -0.61 -0.25 0.00 0.87 0.00 0.00 54.58 54.43 1pg5 n ASN 51 Cb 0.51 -4.46 0.03 0.00 -1.02 0.00 0.00 39.78 34.84 1pg5 n ASN 51 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1pg5 s VAL 52 N -3.28 3.61 0.35 2.41 -7.23 -0.39 -4.77 120.40 111.10 1pg5 s VAL 52 Ca 0.59 -0.21 -0.27 0.00 -1.81 0.00 0.00 61.98 60.28 1pg5 s VAL 52 Cb -0.28 -3.40 -0.09 0.00 0.56 0.00 0.00 36.38 33.17 1pg5 s VAL 52 CO 0.73 -0.37 1.16 -1.81 -0.31 0.00 0.00 175.10 174.50 1pg5 s ASP 53 N -4.30 6.85 -0.05 4.85 1.01 -1.26 -1.37 116.67 122.40 1pg5 s ASP 53 Ca 0.53 2.35 0.02 0.00 0.71 0.00 0.00 52.55 56.15 1pg5 s ASP 53 Cb -0.10 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.22 1pg5 s ASP 53 CO 0.42 -0.45 -0.08 -0.55 0.21 0.00 0.00 175.17 174.73 1pg5 s SER 54 N -0.98 1.23 0.34 0.27 0.15 -0.79 -4.76 113.70 109.16 1pg5 s SER 54 Ca 0.51 -0.19 0.05 0.00 0.70 0.00 0.00 55.95 57.02 1pg5 s SER 54 Cb -0.32 -0.56 0.61 0.00 -1.71 0.00 0.00 66.02 64.04 1pg5 s SER 54 CO 0.41 -0.01 1.86 0.11 1.20 0.00 0.00 173.24 176.80 1pg5 h LYS 55 N 7.01 0.45 0.00 5.44 6.56 -1.97 -2.39 116.57 131.67 1pg5 h LYS 55 Ca -0.35 -0.11 -0.19 0.00 -1.06 0.00 0.00 60.65 58.94 1pg5 h LYS 55 Cb 1.17 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.73 1pg5 h LYS 55 CO 0.48 0.54 -2.00 1.63 -2.06 0.00 0.00 179.45 178.03 1pg5 n LYS 56 N -4.25 0.66 0.00 3.15 5.02 -1.26 -4.59 118.16 116.89 1pg5 n LYS 56 Ca 0.01 -0.02 0.09 0.00 -2.02 0.00 0.00 58.31 56.37 1pg5 n LYS 56 Cb 0.28 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 1pg5 n LYS 56 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1pg5 n MET 57 N -2.61 1.23 0.00 1.97 2.81 -1.22 -4.99 117.12 114.30 1pg5 n MET 57 Ca -0.17 -0.37 0.00 0.00 -1.81 0.00 0.00 57.70 55.35 1pg5 n MET 57 Cb 0.87 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 1pg5 n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pg5 n GLY 58 N 1.36 2.09 3.27 3.03 0.00 -0.90 -4.86 105.19 109.19 1pg5 n GLY 58 Ca 0.05 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 1pg5 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pg5 s LYS 59 N 0.00 1.14 0.18 1.61 -0.14 -1.26 -1.88 119.74 119.40 1pg5 s LYS 59 Ca 0.00 -1.52 -0.23 0.00 -1.36 0.00 0.00 55.97 52.86 1pg5 s LYS 59 Cb 0.00 -0.60 0.05 0.00 -1.68 0.00 0.00 37.83 35.61 1pg5 s LYS 59 CO 0.00 0.01 0.71 0.21 -0.76 0.00 0.00 175.35 175.53 1pg5 s LYS 60 N -3.79 1.40 0.21 1.68 2.36 -0.47 -3.82 119.74 117.30 1pg5 s LYS 60 Ca 0.21 -0.66 0.10 0.00 -2.55 0.00 0.00 55.97 53.06 1pg5 s LYS 60 Cb 0.04 0.55 -0.04 0.00 -1.05 0.00 0.00 37.83 37.33 1pg5 s LYS 60 CO 0.03 -0.63 -0.10 -0.51 1.55 0.00 0.00 175.35 175.69 1pg5 s ASP 61 N -2.80 4.16 -0.02 1.43 -0.00 0.06 -1.26 116.67 118.24 1pg5 s ASP 61 Ca 0.06 -0.66 0.01 0.00 -0.00 0.00 0.00 52.55 51.96 1pg5 s ASP 61 Cb -0.03 -0.66 0.02 0.00 -0.00 0.00 0.00 42.92 42.25 1pg5 s ASP 61 CO -0.04 0.08 -0.01 -0.63 -0.00 0.00 0.00 175.17 174.57 1pg5 s ILE 62 N -1.88 0.22 -0.03 0.77 1.01 -0.53 -2.44 121.20 118.32 1pg5 s ILE 62 Ca 0.26 0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.99 1pg5 s ILE 62 Cb -0.08 -0.27 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 1pg5 s ILE 62 CO 0.15 0.13 -0.25 -0.69 0.00 0.00 0.00 174.94 174.29 1pg5 s VAL 63 N 0.69 1.95 -0.07 2.92 1.01 -0.42 -1.42 120.40 125.06 1pg5 s VAL 63 Ca -0.07 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1pg5 s VAL 63 Cb -0.10 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1pg5 s VAL 63 CO -0.01 0.55 -0.07 -0.54 0.00 0.00 0.00 175.10 175.03 1pg5 s LYS 64 N -0.50 1.26 -0.27 2.72 1.02 0.70 -0.58 119.74 124.09 1pg5 s LYS 64 Ca 0.07 -0.22 0.01 0.00 0.02 0.00 0.00 55.97 55.85 1pg5 s LYS 64 Cb -0.10 -1.22 0.05 0.00 -0.52 0.00 0.00 37.83 36.04 1pg5 s LYS 64 CO -0.00 -0.11 -0.07 0.42 -0.92 0.00 0.00 175.35 174.66 1pg5 s ILE 65 N 1.14 2.52 0.26 2.17 1.01 -0.40 -0.96 121.20 126.93 1pg5 s ILE 65 Ca -0.07 -1.46 -0.29 0.00 0.00 0.00 0.00 60.65 58.83 1pg5 s ILE 65 Cb -0.14 -2.43 -0.09 0.00 0.01 0.00 0.00 42.46 39.80 1pg5 s ILE 65 CO -0.01 -0.01 1.19 -1.61 0.00 0.00 0.00 174.94 174.50 1pg5 s GLU 66 N 1.18 4.51 -0.26 2.79 0.41 -0.79 -1.23 118.70 125.31 1pg5 s GLU 66 Ca -0.06 1.95 0.00 0.00 -0.41 0.00 0.00 54.97 56.44 1pg5 s GLU 66 Cb -0.19 -3.17 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 1pg5 s GLU 66 CO -0.04 -0.01 0.00 -0.25 -0.49 0.00 0.00 175.26 174.48 1pg5 n ASP 67 N 1.58 -3.25 -3.67 -0.19 10.43 -0.08 -4.45 116.55 116.92 1pg5 n ASP 67 Ca 0.01 0.06 -0.18 0.00 2.57 0.00 0.00 54.79 57.25 1pg5 n ASP 67 Cb 0.44 -1.02 -0.17 0.00 1.84 0.00 0.00 41.12 42.21 1pg5 n ASP 67 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1pg5 s LYS 68 N -2.26 -0.02 -0.51 -1.24 2.20 -1.26 -4.98 119.74 111.67 1pg5 s LYS 68 Ca 0.00 0.46 -0.18 0.00 -0.36 0.00 0.00 55.97 55.89 1pg5 s LYS 68 Cb 0.00 -0.38 0.06 0.00 -1.51 0.00 0.00 37.83 36.00 1pg5 s LYS 68 CO 0.00 -0.31 0.59 -1.21 -0.36 0.00 0.00 175.35 174.06 1pg5 s GLU 69 N 2.18 3.09 0.19 4.03 2.02 -1.26 -2.71 118.70 126.25 1pg5 s GLU 69 Ca 0.03 -1.01 -0.32 0.00 0.02 0.00 0.00 54.97 53.69 1pg5 s GLU 69 Cb -0.12 -4.12 -0.12 0.00 0.10 0.00 0.00 34.13 29.87 1pg5 s GLU 69 CO -0.04 -1.21 1.70 -0.89 0.02 0.00 0.00 175.26 174.83 1pg5 n ILE 70 N 5.54 0.02 -1.14 -1.63 -0.00 -1.26 -5.01 119.36 115.88 1pg5 n ILE 70 Ca -0.08 -0.00 -0.30 0.00 -0.00 0.00 0.00 62.75 62.37 1pg5 n ILE 70 Cb 0.45 -1.89 0.14 0.00 -0.00 0.00 0.00 39.64 38.33 1pg5 n ILE 70 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1pg5 s SER 71 N 1.19 3.50 0.46 4.38 1.04 -1.26 -4.86 113.70 118.15 1pg5 s SER 71 Ca 0.76 1.61 0.14 0.00 0.48 0.00 0.00 55.95 58.94 1pg5 s SER 71 Cb -0.54 -2.28 1.05 0.00 0.10 0.00 0.00 66.02 64.35 1pg5 s SER 71 CO 0.34 -2.64 2.04 0.44 0.98 0.00 0.00 173.24 174.40 1pg5 h ASP 72 N -1.55 0.08 0.66 7.02 3.45 -1.98 -0.32 116.42 123.78 1pg5 h ASP 72 Ca -0.48 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 56.94 1pg5 h ASP 72 Cb 1.27 -0.02 0.01 0.00 -0.56 0.00 0.00 39.33 40.03 1pg5 h ASP 72 CO 0.53 0.16 -0.32 0.74 -1.57 0.00 0.00 179.24 178.78 1pg5 h THR 73 N 0.08 0.15 -0.65 0.35 2.02 -2.00 -0.22 112.91 112.64 1pg5 h THR 73 Ca 0.02 -0.30 0.07 0.00 0.77 0.00 0.00 66.41 66.97 1pg5 h THR 73 Cb 0.18 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 1pg5 h THR 73 CO 0.01 0.02 0.43 -0.33 0.37 0.00 0.00 175.52 176.02 1pg5 h GLU 74 N -1.15 0.59 -0.17 6.66 5.08 -1.92 -2.81 114.58 120.86 1pg5 h GLU 74 Ca -0.09 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.04 1pg5 h GLU 74 Cb 0.71 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1pg5 h GLU 74 CO 0.15 0.39 -0.67 0.00 -1.00 0.00 0.00 179.01 177.88 1pg5 h ALA 75 N 1.65 0.49 0.00 3.43 0.00 -0.92 -2.86 119.26 121.06 1pg5 h ALA 75 Ca 0.29 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1pg5 h ALA 75 Cb 0.34 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pg5 h ALA 75 CO -0.09 0.70 -0.02 -0.91 0.00 0.00 0.00 179.25 178.93 1pg5 h ASN 76 N 0.48 0.00 0.38 0.00 2.35 -0.76 -0.97 115.58 117.06 1pg5 h ASN 76 Ca -0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 1pg5 h ASN 76 Cb 1.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.63 1pg5 h ASN 76 CO 0.13 0.02 -0.33 -0.07 -1.65 0.00 0.00 177.43 175.53 1pg5 h LEU 77 N 0.00 0.00 -1.79 1.61 3.38 -1.50 -2.72 115.31 114.29 1pg5 h LEU 77 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1pg5 h LEU 77 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1pg5 h LEU 77 CO 0.00 0.33 0.19 0.40 0.09 0.00 0.00 178.44 179.45 1pg5 h ILE 78 N 0.00 1.01 0.00 1.22 2.04 -1.25 -2.52 117.51 118.01 1pg5 h ILE 78 Ca -0.00 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1pg5 h ILE 78 Cb 0.61 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1pg5 h ILE 78 CO 0.04 0.05 -0.02 0.71 0.00 0.00 0.00 178.15 178.93 1pg5 h THR 79 N 0.27 0.25 0.00 -0.27 1.35 -1.57 0.27 112.91 113.22 1pg5 h THR 79 Ca 0.12 -0.13 -0.02 0.00 -0.55 0.00 0.00 66.41 65.82 1pg5 h THR 79 Cb 0.13 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1pg5 h THR 79 CO -0.02 0.02 -0.10 -0.07 -0.25 0.00 0.00 175.52 175.10 1pg5 h LEU 80 N 0.00 0.00 0.00 3.87 3.38 -1.61 -3.14 115.31 117.81 1pg5 h LEU 80 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pg5 h LEU 80 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1pg5 h LEU 80 CO 0.00 0.10 -0.86 2.30 0.09 0.00 0.00 178.44 180.07 1pg5 n ILE 81 N -4.36 0.00 -3.29 1.22 -5.35 -0.92 -4.66 119.36 102.00 1pg5 n ILE 81 Ca -0.03 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.20 1pg5 n ILE 81 Cb 0.17 0.27 -0.07 0.00 -1.74 0.00 0.00 39.64 38.27 1pg5 n ILE 81 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pg5 n ALA 82 N -1.35 3.17 0.29 -1.28 0.00 0.91 -4.83 120.51 117.43 1pg5 n ALA 82 Ca 0.00 -4.02 0.14 0.00 0.00 0.00 0.00 53.44 49.56 1pg5 n ALA 82 Cb 0.05 -0.85 0.86 0.00 0.00 0.00 0.00 19.45 19.52 1pg5 n ALA 82 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pg5 h PRO 83 N 4.07 0.00 -0.00 0.00 0.13 -1.72 -1.03 132.00 133.45 1pg5 h PRO 83 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1pg5 h PRO 83 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1pg5 h PRO 83 CO 0.63 0.01 -0.01 0.25 -0.23 0.00 0.00 178.00 178.66 1pg5 n THR 84 N -3.93 0.00 -1.43 1.56 -2.24 -1.26 -4.95 114.28 102.03 1pg5 n THR 84 Ca -0.03 -0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.42 1pg5 n THR 84 Cb 0.10 -0.47 0.08 0.00 -2.10 0.00 0.00 70.33 67.94 1pg5 n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pg5 s ALA 85 N -2.49 2.24 0.04 6.98 0.00 -0.39 -4.82 121.76 123.32 1pg5 s ALA 85 Ca 0.31 0.51 0.09 0.00 0.00 0.00 0.00 51.96 52.87 1pg5 s ALA 85 Cb 0.20 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 1pg5 s ALA 85 CO 0.45 -1.68 -0.25 0.95 0.00 0.00 0.00 175.76 175.23 1pg5 s THR 86 N -2.50 1.98 -0.10 0.00 -4.23 -0.79 -4.93 115.64 105.07 1pg5 s THR 86 Ca 0.66 -1.31 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 1pg5 s THR 86 Cb -0.21 -1.70 0.01 0.00 1.34 0.00 0.00 72.50 71.94 1pg5 s THR 86 CO 0.48 0.33 -0.18 -0.63 -0.54 0.00 0.00 174.62 174.09 1pg5 s ILE 87 N -0.79 1.64 -0.08 2.99 1.09 -1.26 -2.09 121.20 122.71 1pg5 s ILE 87 Ca 0.10 -0.75 0.04 0.00 -1.10 0.00 0.00 60.65 58.95 1pg5 s ILE 87 Cb -0.10 -1.46 -0.01 0.00 -1.06 0.00 0.00 42.46 39.83 1pg5 s ILE 87 CO 0.02 0.47 -0.22 0.20 -0.10 0.00 0.00 174.94 175.30 1pg5 s ASN 88 N 0.74 3.30 -0.14 3.58 -0.87 -0.32 -2.21 114.94 119.00 1pg5 s ASN 88 Ca -0.11 -0.47 -0.08 0.00 -1.57 0.00 0.00 52.86 50.63 1pg5 s ASN 88 Cb -0.16 -1.11 -0.04 0.00 -0.02 0.00 0.00 41.25 39.92 1pg5 s ASN 88 CO 0.02 0.22 0.13 -0.63 -2.57 0.00 0.00 177.10 174.27 1pg5 s ILE 89 N 0.00 5.44 -0.09 0.60 -1.09 -0.21 -1.24 121.20 124.61 1pg5 s ILE 89 Ca -0.08 0.19 0.03 0.00 -2.23 0.00 0.00 60.65 58.56 1pg5 s ILE 89 Cb -0.15 -3.41 0.01 0.00 -1.58 0.00 0.00 42.46 37.33 1pg5 s ILE 89 CO 0.05 0.56 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.45 1pg5 s VAL 90 N -0.58 1.60 -0.11 2.92 1.01 0.87 -0.99 120.40 125.13 1pg5 s VAL 90 Ca 0.13 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 1pg5 s VAL 90 Cb -0.12 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.87 1pg5 s VAL 90 CO 0.02 0.46 -0.07 -0.13 0.00 0.00 0.00 175.10 175.38 1pg5 s ARG 91 N 0.59 1.49 -1.31 2.72 3.00 0.13 -0.75 118.95 124.82 1pg5 s ARG 91 Ca -0.15 -0.24 -0.07 0.00 0.00 0.00 0.00 55.73 55.27 1pg5 s ARG 91 Cb -0.17 -1.56 0.01 0.00 0.00 0.00 0.00 34.95 33.23 1pg5 s ARG 91 CO 0.05 -0.26 1.14 -1.91 0.00 0.00 0.00 175.30 174.31 1pg5 n GLU 92 N 4.93 -7.65 -0.29 3.54 4.07 -0.11 -2.05 120.64 123.09 1pg5 n GLU 92 Ca -0.12 0.82 0.00 0.00 -0.06 0.00 0.00 57.16 57.80 1pg5 n GLU 92 Cb 0.50 -5.83 0.00 0.00 -0.06 0.00 0.00 31.44 26.05 1pg5 n GLU 92 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1pg5 n TYR 93 N -4.83 0.00 -4.19 4.31 4.02 -0.71 -5.00 117.16 110.76 1pg5 n TYR 93 Ca -0.04 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.50 1pg5 n TYR 93 Cb 0.58 -0.38 -0.09 0.00 -0.02 0.00 0.00 39.34 39.42 1pg5 n TYR 93 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1pg5 s GLU 94 N -0.11 3.43 -0.13 -0.72 0.41 -0.87 -4.98 118.70 115.72 1pg5 s GLU 94 Ca 0.00 -0.36 -0.29 0.00 -0.41 0.00 0.00 54.97 53.91 1pg5 s GLU 94 Cb 0.00 -2.99 -0.03 0.00 -1.78 0.00 0.00 34.13 29.33 1pg5 s GLU 94 CO 0.00 0.53 1.37 0.08 -0.49 0.00 0.00 175.26 176.75 1pg5 s VAL 95 N -0.38 4.09 -0.70 2.63 1.01 -1.26 -0.69 120.40 125.09 1pg5 s VAL 95 Ca 0.08 1.32 0.09 0.00 0.00 0.00 0.00 61.98 63.48 1pg5 s VAL 95 Cb -0.12 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1pg5 s VAL 95 CO 0.02 -0.12 0.52 1.33 0.00 0.00 0.00 175.10 176.86 1pg5 n VAL 96 N 5.40 0.00 -3.65 2.92 0.24 -0.16 -4.94 118.33 118.14 1pg5 n VAL 96 Ca 0.15 -0.35 -0.02 0.00 -2.04 0.00 0.00 64.34 62.07 1pg5 n VAL 96 Cb 0.44 1.07 -0.05 0.00 -1.47 0.00 0.00 33.84 33.83 1pg5 n VAL 96 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1pg5 s LYS 97 N -1.56 0.56 -0.60 7.34 2.20 -1.21 -4.99 119.74 121.48 1pg5 s LYS 97 Ca 0.06 1.38 -0.18 0.00 -0.36 0.00 0.00 55.97 56.88 1pg5 s LYS 97 Cb 0.07 0.75 0.12 0.00 -1.51 0.00 0.00 37.83 37.26 1pg5 s LYS 97 CO 0.30 -0.20 0.66 0.15 -0.36 0.00 0.00 175.35 175.90 1pg5 s LYS 98 N 2.76 3.06 0.22 4.03 1.02 -1.26 -1.04 119.74 128.52 1pg5 s LYS 98 Ca -0.06 -1.49 -0.30 0.00 0.02 0.00 0.00 55.97 54.14 1pg5 s LYS 98 Cb -0.11 -4.30 -0.10 0.00 -0.52 0.00 0.00 37.83 32.80 1pg5 s LYS 98 CO -0.18 -1.48 1.44 0.99 -0.92 0.00 0.00 175.35 175.19 1pg5 s THR 99 N 2.28 2.79 -0.57 2.17 2.01 -0.94 -4.98 115.64 118.40 1pg5 s THR 99 Ca 0.10 0.64 -0.22 0.00 0.31 0.00 0.00 61.69 62.51 1pg5 s THR 99 Cb -0.25 -3.41 0.06 0.00 0.01 0.00 0.00 72.50 68.91 1pg5 s THR 99 CO 0.04 0.09 0.86 -0.75 -0.69 0.00 0.00 174.62 174.17 1pg5 s LYS 100 N 0.03 3.21 0.23 4.92 2.20 -1.26 -4.38 119.74 124.68 1pg5 s LYS 100 Ca 0.61 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 55.31 1pg5 s LYS 100 Cb -0.41 -4.12 -0.10 0.00 -1.51 0.00 0.00 37.83 31.70 1pg5 s LYS 100 CO 0.39 -1.51 1.44 -0.51 -0.36 0.00 0.00 175.35 174.81 1pg5 s LEU 101 N 3.61 4.39 0.33 5.43 1.43 -1.26 -5.03 118.68 127.57 1pg5 s LEU 101 Ca 0.24 2.62 0.09 0.00 -1.03 0.00 0.00 54.13 56.05 1pg5 s LEU 101 Cb -0.16 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.38 1pg5 s LEU 101 CO 0.15 -0.70 -0.10 -1.61 0.23 0.00 0.00 176.35 174.32 1pg5 s GLU 102 N -0.10 1.75 0.15 1.70 2.02 -1.26 -5.09 118.70 117.87 1pg5 s GLU 102 Ca 0.61 -1.89 -0.30 0.00 0.02 0.00 0.00 54.97 53.40 1pg5 s GLU 102 Cb -0.41 -1.59 -0.07 0.00 0.10 0.00 0.00 34.13 32.15 1pg5 s GLU 102 CO 0.41 0.13 1.17 0.08 0.02 0.00 0.00 175.26 177.07 1pg5 s VAL 103 N -2.69 3.78 0.45 2.63 1.01 -1.26 -4.61 120.40 119.70 1pg5 s VAL 103 Ca 0.32 1.44 -0.22 0.00 0.00 0.00 0.00 61.98 63.52 1pg5 s VAL 103 Cb 0.02 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 1pg5 s VAL 103 CO 0.15 0.21 1.03 -2.16 0.00 0.00 0.00 175.10 174.33 1pg5 s PRO 104 N 0.05 3.98 0.02 2.72 0.04 -1.26 -4.96 135.00 135.59 1pg5 s PRO 104 Ca 0.53 1.38 -0.19 0.00 0.04 0.00 0.00 61.00 62.76 1pg5 s PRO 104 Cb -0.31 -2.25 -0.22 0.00 0.04 0.00 0.00 34.50 31.76 1pg5 s PRO 104 CO 0.34 -0.28 1.14 0.87 0.04 0.00 0.00 177.00 179.11 1pg5 h LYS 105 N 1.92 0.47 -5.53 4.56 1.57 -1.94 -3.41 116.57 114.21 1pg5 h LYS 105 Ca -0.49 -0.48 -0.49 0.00 -1.87 0.00 0.00 60.65 57.33 1pg5 h LYS 105 Cb 1.21 0.13 -0.25 0.00 0.08 0.00 0.00 32.23 33.40 1pg5 h LYS 105 CO 0.60 1.12 -0.81 0.08 -0.57 0.00 0.00 179.45 179.87 1pg5 s VAL 106 N -3.33 1.26 -0.23 0.50 1.01 -1.26 -0.95 120.40 117.41 1pg5 s VAL 106 Ca -0.13 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.81 1pg5 s VAL 106 Cb 0.04 -1.12 0.07 0.00 0.00 0.00 0.00 36.38 35.38 1pg5 s VAL 106 CO 0.84 0.09 0.07 -0.69 0.00 0.00 0.00 175.10 175.41 1pg5 s VAL 107 N -0.78 0.38 -0.16 2.92 1.01 -0.32 -4.99 120.40 118.47 1pg5 s VAL 107 Ca 0.04 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 1pg5 s VAL 107 Cb -0.08 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1pg5 s VAL 107 CO 0.01 -0.39 0.11 -0.54 0.00 0.00 0.00 175.10 174.29 1pg5 s LYS 108 N 1.91 3.77 0.00 2.72 1.02 -1.26 -1.73 119.74 126.17 1pg5 s LYS 108 Ca 0.03 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 55.79 1pg5 s LYS 108 Cb -0.17 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1pg5 s LYS 108 CO -0.16 0.51 0.00 0.41 -0.92 0.00 0.00 175.35 175.19 1pg5 n GLY 109 N 2.83 2.45 0.35 -3.33 0.00 -0.33 -4.76 105.19 102.39 1pg5 n GLY 109 Ca -0.18 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 1pg5 n GLY 109 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pg5 h ILE 110 N 0.00 1.26 -3.38 -0.61 1.08 -1.86 -3.42 117.51 110.57 1pg5 h ILE 110 Ca 0.00 -0.75 -0.65 0.00 -0.39 0.00 0.00 64.86 63.07 1pg5 h ILE 110 Cb 0.00 0.23 -0.22 0.00 -3.07 0.00 0.00 36.82 33.76 1pg5 h ILE 110 CO 0.00 0.32 -0.70 -0.76 -0.69 0.00 0.00 178.15 176.32 1pg5 s LEU 111 N -9.76 3.10 0.37 1.44 1.43 -1.26 -4.92 118.68 109.08 1pg5 s LEU 111 Ca -0.12 -0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 1pg5 s LEU 111 Cb 0.16 -1.72 -0.06 0.00 0.03 0.00 0.00 46.19 44.61 1pg5 s LEU 111 CO 0.83 0.21 0.69 -0.54 0.23 0.00 0.00 176.35 177.77 1pg5 s LYS 112 N 0.11 3.69 -0.15 1.70 1.02 -1.26 -4.66 119.74 120.20 1pg5 s LYS 112 Ca -0.03 0.25 -0.19 0.00 0.02 0.00 0.00 55.97 56.02 1pg5 s LYS 112 Cb -0.14 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 1pg5 s LYS 112 CO 0.03 0.04 0.53 0.00 -0.92 0.00 0.00 175.35 175.03 1pg5 n PRO 114 N 4.17 0.29 -2.78 0.00 -0.04 -1.26 -4.61 135.00 130.77 1pg5 n PRO 114 Ca -0.05 0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 63.08 1pg5 n PRO 114 Cb 0.51 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 1pg5 n PRO 114 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1pg5 s ASN 115 N -2.52 6.55 0.07 3.54 2.47 -1.26 -4.91 114.94 118.89 1pg5 s ASN 115 Ca 0.18 0.26 0.14 0.00 0.42 0.00 0.00 52.86 53.86 1pg5 s ASN 115 Cb 0.12 -2.47 0.60 0.00 -1.45 0.00 0.00 41.25 38.06 1pg5 s ASN 115 CO 0.27 -1.05 1.43 -0.81 -3.72 0.00 0.00 177.10 173.22 1pg5 n PRO 116 N 7.20 0.05 -0.35 0.43 -0.04 -1.26 -1.99 135.00 139.05 1pg5 n PRO 116 Ca 0.07 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 1pg5 n PRO 116 Cb 0.48 -1.60 0.30 0.00 -0.04 0.00 0.00 33.50 32.64 1pg5 n PRO 116 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1pg5 n TYR 117 N -1.69 0.91 -2.72 0.54 4.02 -1.26 -4.78 117.16 112.17 1pg5 n TYR 117 Ca 0.02 -0.49 -0.41 0.00 -0.01 0.00 0.00 57.90 57.02 1pg5 n TYR 117 Cb 0.14 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.40 1pg5 n TYR 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1pg5 h ILE 119 N 3.63 0.50 0.00 0.00 6.09 -1.91 -0.50 117.51 125.32 1pg5 h ILE 119 Ca -0.44 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 1pg5 h ILE 119 Cb 1.21 0.02 0.00 0.00 0.47 0.00 0.00 36.82 38.52 1pg5 h ILE 119 CO 0.70 0.08 0.00 0.71 -3.07 0.00 0.00 178.15 176.57 1pg5 h THR 120 N 0.44 0.00 -0.12 2.19 1.35 -1.86 -1.47 112.91 113.45 1pg5 h THR 120 Ca 0.63 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 66.33 1pg5 h THR 120 Cb 1.46 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1pg5 h THR 120 CO -0.37 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 173.70 1pg5 n SER 121 N -2.86 2.28 0.00 5.36 7.64 -0.20 -4.52 113.62 121.32 1pg5 n SER 121 Ca -0.01 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.10 1pg5 n SER 121 Cb 0.14 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1pg5 n SER 121 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pg5 n ASN 122 N 0.75 2.23 -4.36 6.43 3.02 -0.64 -4.96 115.26 117.73 1pg5 n ASN 122 Ca 0.17 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.37 1pg5 n ASN 122 Cb 0.46 0.25 -0.13 0.00 -0.61 0.00 0.00 39.78 39.75 1pg5 n ASN 122 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pg5 s ASP 123 N -1.77 4.57 0.51 6.41 -1.08 -0.71 -5.00 116.67 119.60 1pg5 s ASP 123 Ca 0.00 -0.32 0.22 0.00 -0.52 0.00 0.00 52.55 51.93 1pg5 s ASP 123 Cb 0.00 -1.79 1.30 0.00 -1.46 0.00 0.00 42.92 40.97 1pg5 s ASP 123 CO 0.00 -0.01 2.00 -0.37 0.52 0.00 0.00 175.17 177.31 1pg5 h VAL 124 N 5.62 0.79 -0.00 1.11 -1.51 -1.90 -1.52 116.25 118.84 1pg5 h VAL 124 Ca -0.40 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1pg5 h VAL 124 Cb 1.17 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1pg5 h VAL 124 CO 0.60 0.02 -0.16 -0.62 -1.23 0.00 0.00 177.57 176.18 1pg5 n GLU 125 N -4.42 0.06 -2.95 5.19 1.02 -1.26 -4.55 120.64 113.74 1pg5 n GLU 125 Ca 0.09 -0.02 -0.44 0.00 -0.02 0.00 0.00 57.16 56.77 1pg5 n GLU 125 Cb 0.52 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.42 1pg5 n GLU 125 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pg5 s ALA 126 N -2.95 3.61 -0.05 0.62 0.00 -0.57 -4.99 121.76 117.42 1pg5 s ALA 126 Ca 0.15 -2.99 -0.30 0.00 0.00 0.00 0.00 51.96 48.82 1pg5 s ALA 126 Cb 0.19 -4.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.21 1pg5 s ALA 126 CO 0.57 -2.89 1.21 0.42 0.00 0.00 0.00 175.76 175.08 1pg5 s ILE 127 N 2.22 4.23 0.15 0.00 1.01 -1.26 -4.37 121.20 123.18 1pg5 s ILE 127 Ca 0.36 1.55 -0.34 0.00 0.00 0.00 0.00 60.65 62.22 1pg5 s ILE 127 Cb -0.04 -4.00 -0.15 0.00 0.01 0.00 0.00 42.46 38.28 1pg5 s ILE 127 CO -0.06 -0.00 1.37 -2.65 0.00 0.00 0.00 174.94 173.60 1pg5 n PRO 128 N 5.22 1.56 -3.76 2.79 -0.02 -1.26 -4.80 135.00 134.72 1pg5 n PRO 128 Ca 0.11 0.56 -0.17 0.00 -2.02 0.00 0.00 63.50 61.97 1pg5 n PRO 128 Cb 0.46 -2.20 -0.17 0.00 -0.02 0.00 0.00 33.50 31.57 1pg5 n PRO 128 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1pg5 s THR 129 N 0.34 -0.01 -0.10 3.45 2.01 -1.26 -1.19 115.64 118.88 1pg5 s THR 129 Ca 0.78 0.26 0.03 0.00 0.31 0.00 0.00 61.69 63.06 1pg5 s THR 129 Cb -0.81 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 1pg5 s THR 129 CO 0.46 0.14 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.97 1pg5 s PHE 130 N 1.48 2.64 -0.17 4.92 0.40 -0.71 -1.73 117.98 124.81 1pg5 s PHE 130 Ca -0.04 -0.87 -0.07 0.00 -0.60 0.00 0.00 56.93 55.36 1pg5 s PHE 130 Cb -0.13 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 1pg5 s PHE 130 CO -0.03 -0.32 0.05 0.21 0.70 0.00 0.00 175.22 175.84 1pg5 s LYS 131 N 0.27 3.84 0.21 0.44 2.20 -0.39 -1.17 119.74 125.14 1pg5 s LYS 131 Ca -0.14 -0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 54.80 1pg5 s LYS 131 Cb -0.17 -3.15 -0.11 0.00 -1.51 0.00 0.00 37.83 32.89 1pg5 s LYS 131 CO 0.07 0.34 1.63 0.99 -0.36 0.00 0.00 175.35 178.02 1pg5 s THR 132 N 0.17 2.27 -0.21 3.43 2.01 -0.12 -0.26 115.64 122.94 1pg5 s THR 132 Ca 0.04 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.13 1pg5 s THR 132 Cb -0.12 -3.13 -0.09 0.00 0.01 0.00 0.00 72.50 69.16 1pg5 s THR 132 CO 0.01 0.02 -0.29 -0.11 -0.69 0.00 0.00 174.62 173.56 1pg5 n LEU 133 N 3.58 1.59 -4.12 4.42 7.94 0.15 -4.90 117.00 125.66 1pg5 n LEU 133 Ca 0.13 0.27 -0.22 0.00 -1.11 0.00 0.00 56.01 55.09 1pg5 n LEU 133 Cb 0.37 -0.66 -0.15 0.00 0.53 0.00 0.00 43.42 43.51 1pg5 n LEU 133 CO 0.63 0.38 -0.47 0.42 -1.11 0.00 0.00 177.39 177.24 1pg5 s THR 134 N -2.44 1.14 0.10 1.96 -4.23 -1.17 -5.00 115.64 105.99 1pg5 s THR 134 Ca -0.30 -0.68 0.12 0.00 -1.18 0.00 0.00 61.69 59.65 1pg5 s THR 134 Cb 0.11 -0.96 -0.02 0.00 1.34 0.00 0.00 72.50 72.97 1pg5 s THR 134 CO 0.39 0.27 1.50 -0.33 -0.54 0.00 0.00 174.62 175.91 1pg5 h GLU 135 N 5.65 0.00 0.00 3.99 5.08 -1.93 -2.26 114.58 125.11 1pg5 h GLU 135 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1pg5 h GLU 135 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1pg5 h GLU 135 CO 0.48 0.65 0.00 1.63 -1.00 0.00 0.00 179.01 180.77 1pg5 n LYS 136 N -3.47 0.00 -2.63 2.33 5.02 -1.26 -3.31 118.16 114.83 1pg5 n LYS 136 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1pg5 n LYS 136 Cb 0.72 -0.63 -0.02 0.00 -0.02 0.00 0.00 35.03 35.08 1pg5 n LYS 136 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1pg5 s PRO 137 N -0.32 4.34 -0.17 1.97 0.04 -1.26 -5.04 135.00 134.56 1pg5 s PRO 137 Ca 0.00 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 1pg5 s PRO 137 Cb 0.00 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 1pg5 s PRO 137 CO 0.00 -0.47 1.49 -1.17 0.04 0.00 0.00 177.00 176.89 1pg5 s LEU 138 N 2.55 4.09 -0.06 -3.56 2.96 -1.21 -4.73 118.68 118.73 1pg5 s LEU 138 Ca 0.48 1.76 0.06 0.00 -0.22 0.00 0.00 54.13 56.21 1pg5 s LEU 138 Cb -0.18 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 1pg5 s LEU 138 CO 0.14 -1.00 -0.23 -0.54 -1.32 0.00 0.00 176.35 173.39 1pg5 s LYS 139 N 4.10 2.39 0.14 1.98 -0.14 -0.85 -2.87 119.74 124.50 1pg5 s LYS 139 Ca 0.65 -0.84 0.08 0.00 -1.36 0.00 0.00 55.97 54.51 1pg5 s LYS 139 Cb -0.25 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 33.83 1pg5 s LYS 139 CO 0.24 0.34 -0.19 -1.64 -0.76 0.00 0.00 175.35 173.34 1pg5 s MET 140 N -0.09 1.19 -0.06 1.68 -1.94 0.77 -0.67 119.30 120.17 1pg5 s MET 140 Ca -0.04 -1.30 0.03 0.00 -1.71 0.00 0.00 55.69 52.67 1pg5 s MET 140 Cb -0.13 -1.32 0.01 0.00 2.01 0.00 0.00 34.83 35.40 1pg5 s MET 140 CO 0.04 0.28 -0.15 0.50 -0.01 0.00 0.00 175.02 175.67 1pg5 s ARG 141 N -2.45 1.94 0.08 2.03 3.52 0.65 -0.25 118.95 124.46 1pg5 s ARG 141 Ca 0.12 -0.54 -0.32 0.00 -0.13 0.00 0.00 55.73 54.85 1pg5 s ARG 141 Cb -0.07 -1.58 -0.12 0.00 -1.56 0.00 0.00 34.95 31.62 1pg5 s ARG 141 CO 0.05 0.11 1.80 0.00 -0.81 0.00 0.00 175.30 176.45 1pg5 h GLU 143 N 8.24 0.00 0.07 0.00 5.08 -1.69 -0.37 114.58 125.91 1pg5 h GLU 143 Ca -0.47 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.58 1pg5 h GLU 143 Cb 1.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 1pg5 h GLU 143 CO 0.93 0.00 -1.70 0.66 -1.00 0.00 0.00 179.01 177.91 1pg5 n TYR 144 N -2.50 1.14 -0.09 4.33 4.01 -1.26 -4.72 117.16 118.07 1pg5 n TYR 144 Ca 0.02 0.34 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 1pg5 n TYR 144 Cb 0.28 -1.13 0.00 0.00 -0.31 0.00 0.00 39.34 38.18 1pg5 n TYR 144 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pg5 n GLU 146 N -0.06 -1.00 -2.02 0.00 -0.58 -0.15 -4.98 120.64 111.84 1pg5 n GLU 146 Ca 0.00 0.26 -0.41 0.00 -0.42 0.00 0.00 57.16 56.59 1pg5 n GLU 146 Cb 0.02 -4.02 -0.02 0.00 -0.57 0.00 0.00 31.44 26.85 1pg5 n GLU 146 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1pg5 s THR 147 N -1.51 2.63 -0.12 2.62 2.01 -1.26 -4.63 115.64 115.38 1pg5 s THR 147 Ca 0.00 0.56 -0.08 0.00 0.31 0.00 0.00 61.69 62.49 1pg5 s THR 147 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 1pg5 s THR 147 CO 0.00 0.10 0.15 -0.63 -0.69 0.00 0.00 174.62 173.55 1pg5 s ILE 148 N -0.38 5.49 0.09 1.82 1.01 -1.26 -1.15 121.20 126.81 1pg5 s ILE 148 Ca 0.56 0.23 0.08 0.00 0.00 0.00 0.00 60.65 61.52 1pg5 s ILE 148 Cb -0.42 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1pg5 s ILE 148 CO 0.47 0.60 -0.21 0.27 0.00 0.00 0.00 174.94 176.07 1pg5 s ILE 149 N -0.91 1.74 0.52 2.92 -4.36 0.65 -4.96 121.20 116.80 1pg5 s ILE 149 Ca 0.15 -1.47 0.07 0.00 -0.26 0.00 0.00 60.65 59.14 1pg5 s ILE 149 Cb -0.12 -1.56 0.04 0.00 1.25 0.00 0.00 42.46 42.06 1pg5 s ILE 149 CO 0.04 0.02 0.52 1.51 0.24 0.00 0.00 174.94 177.27 1pg5 s ASP 150 N -1.73 4.92 0.29 4.36 1.47 -1.26 -0.16 116.67 124.56 1pg5 s ASP 150 Ca 0.07 -0.97 0.01 0.00 1.18 0.00 0.00 52.55 52.84 1pg5 s ASP 150 Cb -0.10 0.09 0.54 0.00 -0.34 0.00 0.00 42.92 43.11 1pg5 s ASP 150 CO 0.04 -1.05 1.87 -0.08 0.68 0.00 0.00 175.17 176.63 1pg5 h GLU 151 N 0.64 0.99 -0.74 2.11 4.57 -1.93 -0.83 114.58 119.40 1pg5 h GLU 151 Ca -0.36 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 57.74 1pg5 h GLU 151 Cb 1.29 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.62 1pg5 h GLU 151 CO 0.52 0.66 0.39 -0.91 -1.18 0.00 0.00 179.01 178.48 1pg5 h ASN 152 N 1.02 0.95 0.01 1.04 2.35 -1.96 0.94 115.58 119.93 1pg5 h ASN 152 Ca 0.45 -0.11 -0.20 0.00 -0.55 0.00 0.00 56.30 55.89 1pg5 h ASN 152 Cb 0.36 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1pg5 h ASN 152 CO -0.21 0.79 -0.73 -0.08 -1.65 0.00 0.00 177.43 175.55 1pg5 h GLU 153 N 1.03 0.64 0.26 0.81 4.22 -1.71 -1.60 114.58 118.23 1pg5 h GLU 153 Ca 0.26 -0.50 0.00 0.00 0.08 0.00 0.00 59.36 59.20 1pg5 h GLU 153 Cb 0.07 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1pg5 h GLU 153 CO -0.04 1.12 -0.28 0.82 -2.18 0.00 0.00 179.01 178.45 1pg5 h ILE 154 N 0.44 0.41 -0.33 2.32 2.04 -0.76 -1.55 117.51 120.07 1pg5 h ILE 154 Ca -0.03 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.74 1pg5 h ILE 154 Cb 1.33 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1pg5 h ILE 154 CO 0.14 0.00 -0.15 0.24 0.00 0.00 0.00 178.15 178.38 1pg5 h MET 155 N -0.58 0.59 0.00 2.37 2.86 -0.79 -2.37 114.93 117.01 1pg5 h MET 155 Ca -0.01 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1pg5 h MET 155 Cb 0.54 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1pg5 h MET 155 CO -0.07 0.73 -0.12 -1.13 1.06 0.00 0.00 176.91 177.37 1pg5 n SER 156 N -4.17 0.15 -0.09 1.22 3.41 -0.61 -1.56 113.62 111.99 1pg5 n SER 156 Ca 0.01 0.33 -0.09 0.00 -0.26 0.00 0.00 58.87 58.86 1pg5 n SER 156 Cb 0.36 -0.33 0.07 0.00 -0.26 0.00 0.00 64.21 64.05 1pg5 n SER 156 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1pg5 h GLN 157 N 0.00 0.79 0.11 4.33 4.20 -0.76 -3.27 115.11 120.51 1pg5 h GLN 157 Ca 0.00 -0.34 -0.36 0.00 0.06 0.00 0.00 58.65 58.01 1pg5 h GLN 157 Cb 0.51 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1pg5 h GLN 157 CO 0.00 0.96 -2.00 -0.89 -0.67 0.00 0.00 178.83 176.23 1pg5 n ILE 158 N -4.10 1.76 1.41 2.54 5.41 -1.10 -3.28 119.36 122.00 1pg5 n ILE 158 Ca -0.00 -0.66 0.00 0.00 1.00 0.00 0.00 62.75 63.08 1pg5 n ILE 158 Cb 0.45 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 1pg5 n ILE 158 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1pg5 n LEU 159 N -3.44 0.51 0.00 1.39 4.77 -0.60 -4.87 117.00 114.75 1pg5 n LEU 159 Ca -0.31 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1pg5 n LEU 159 Cb 1.05 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1pg5 n LEU 159 CO 0.43 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.22