#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tnr s PRO 29 N 0.00 4.44 0.01 1.97 0.04 -1.26 -4.73 135.00 135.47 1tnr s PRO 29 Ca 0.00 2.06 -0.26 0.00 0.04 0.00 0.00 61.00 62.84 1tnr s PRO 29 Cb 0.00 -3.14 0.06 0.00 0.04 0.00 0.00 34.50 31.46 1tnr s PRO 29 CO 0.00 -0.11 0.60 0.00 0.04 0.00 0.00 177.00 177.53 1tnr s ALA 30 N -0.72 -1.55 -0.05 8.56 0.00 -1.01 -1.66 121.76 125.34 1tnr s ALA 30 Ca 0.50 0.91 -0.15 0.00 0.00 0.00 0.00 51.96 53.22 1tnr s ALA 30 Cb -0.37 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.04 1tnr s ALA 30 CO 0.45 -0.47 0.34 0.00 0.00 0.00 0.00 175.76 176.08 1tnr s ALA 31 N -1.98 -0.86 -0.04 0.00 0.00 0.03 -1.72 121.76 117.19 1tnr s ALA 31 Ca -0.08 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 1tnr s ALA 31 Cb -0.01 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.03 1tnr s ALA 31 CO 0.02 -0.24 0.06 -1.58 0.00 0.00 0.00 175.76 174.02 1tnr s HIS 32 N -0.90 0.05 0.09 0.00 2.46 -0.28 -1.71 115.29 114.99 1tnr s HIS 32 Ca -0.10 0.24 0.07 0.00 0.47 0.00 0.00 55.06 55.74 1tnr s HIS 32 Cb -0.04 -0.42 -0.03 0.00 -0.13 0.00 0.00 32.58 31.95 1tnr s HIS 32 CO 0.03 -0.17 -0.19 -0.51 -2.47 0.00 0.00 174.74 171.43 1tnr s LEU 33 N 1.93 2.28 0.15 8.88 1.43 0.14 -0.74 118.68 132.76 1tnr s LEU 33 Ca 0.02 -0.64 0.09 0.00 -1.03 0.00 0.00 54.13 52.56 1tnr s LEU 33 Cb -0.12 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 1tnr s LEU 33 CO -0.03 0.04 -0.11 0.27 0.23 0.00 0.00 176.35 176.74 1tnr s ILE 34 N -1.13 3.14 0.16 -0.59 -4.36 -1.00 -0.86 121.20 116.55 1tnr s ILE 34 Ca 0.05 -1.56 -0.30 0.00 -0.26 0.00 0.00 60.65 58.57 1tnr s ILE 34 Cb -0.10 -2.52 -0.08 0.00 1.25 0.00 0.00 42.46 41.02 1tnr s ILE 34 CO 0.03 -0.03 1.24 -0.83 0.24 0.00 0.00 174.94 175.60 1tnr s GLY 35 N -2.58 2.50 -0.36 6.27 0.00 -0.16 -1.41 107.32 111.59 1tnr s GLY 35 Ca 0.23 0.98 -0.29 0.00 0.00 0.00 0.00 44.72 45.65 1tnr s GLY 35 CO 0.14 1.99 1.63 -0.35 0.00 0.00 0.00 173.10 176.51 1tnr s ASP 36 N 0.47 6.10 0.00 1.64 -1.08 0.10 -4.68 116.67 119.22 1tnr s ASP 36 Ca 0.56 1.13 0.15 0.00 -0.52 0.00 0.00 52.55 53.87 1tnr s ASP 36 Cb -0.33 -2.53 0.80 0.00 -1.46 0.00 0.00 42.92 39.40 1tnr s ASP 36 CO 0.35 -1.57 1.39 -0.81 0.52 0.00 0.00 175.17 175.04 1tnr n PRO 37 N 8.25 0.30 0.02 4.34 -0.04 -1.26 -2.37 135.00 144.24 1tnr n PRO 37 Ca 0.20 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 1tnr n PRO 37 Cb 0.47 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.54 1tnr n PRO 37 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1tnr n SER 38 N -1.20 0.63 -4.46 3.54 3.41 -1.26 -4.72 113.62 109.56 1tnr n SER 38 Ca 0.08 -0.24 -0.43 0.00 -0.26 0.00 0.00 58.87 58.02 1tnr n SER 38 Cb 0.10 0.52 -0.07 0.00 -0.26 0.00 0.00 64.21 64.50 1tnr n SER 38 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1tnr s LYS 39 N -3.11 3.14 0.26 4.33 -0.14 -1.00 -4.93 119.74 118.29 1tnr s LYS 39 Ca 0.07 -0.79 0.11 0.00 -1.36 0.00 0.00 55.97 54.00 1tnr s LYS 39 Cb 0.15 -4.05 0.30 0.00 -1.68 0.00 0.00 37.83 32.56 1tnr s LYS 39 CO 0.76 -1.10 1.57 -0.56 -0.76 0.00 0.00 175.35 175.27 1tnr h GLN 40 N 8.91 0.00 -0.05 1.68 3.07 -1.87 -3.36 115.11 123.49 1tnr h GLN 40 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.47 1tnr h GLN 40 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.66 1tnr h GLN 40 CO 0.91 0.64 0.00 0.09 0.09 0.00 0.00 178.83 180.56 1tnr n ASN 41 N -3.69 1.83 -4.31 0.06 3.02 -1.26 -4.81 115.26 106.10 1tnr n ASN 41 Ca -0.01 -1.44 -0.16 0.00 -0.03 0.00 0.00 54.58 52.94 1tnr n ASN 41 Cb 0.65 -0.03 -0.10 0.00 -0.61 0.00 0.00 39.78 39.69 1tnr n ASN 41 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1tnr s SER 42 N -0.73 1.66 -0.52 6.41 0.15 -1.26 -4.85 113.70 114.57 1tnr s SER 42 Ca 0.11 -1.23 -0.02 0.00 0.70 0.00 0.00 55.95 55.51 1tnr s SER 42 Cb 0.07 0.04 0.14 0.00 -1.71 0.00 0.00 66.02 64.56 1tnr s SER 42 CO 0.10 -0.54 0.32 -0.22 1.20 0.00 0.00 173.24 174.09 1tnr s LEU 43 N -3.28 5.16 -0.20 3.45 2.96 -1.26 -4.83 118.68 120.67 1tnr s LEU 43 Ca 0.29 -2.50 -0.07 0.00 -0.22 0.00 0.00 54.13 51.62 1tnr s LEU 43 Cb 0.06 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1tnr s LEU 43 CO 0.08 -0.43 0.05 -0.76 -1.32 0.00 0.00 176.35 173.97 1tnr s LEU 44 N 0.45 3.60 0.18 -0.68 1.02 -1.26 -4.99 118.68 116.99 1tnr s LEU 44 Ca 0.13 -0.05 -0.21 0.00 0.02 0.00 0.00 54.13 54.02 1tnr s LEU 44 Cb -0.22 -1.92 -0.08 0.00 0.02 0.00 0.00 46.19 43.99 1tnr s LEU 44 CO -0.04 0.11 0.72 0.26 0.02 0.00 0.00 176.35 177.42 1tnr s TRP 45 N 0.76 3.76 0.07 0.29 0.52 -1.26 0.02 118.94 123.10 1tnr s TRP 45 Ca 0.03 1.45 -0.05 0.00 0.02 0.00 0.00 56.10 57.55 1tnr s TRP 45 Cb -0.14 -2.65 -0.02 0.00 -1.15 0.00 0.00 33.47 29.52 1tnr s TRP 45 CO 0.02 0.44 0.09 -0.98 0.02 0.00 0.00 176.95 176.53 1tnr s ARG 46 N -1.57 0.72 -0.05 4.98 1.70 -0.50 -4.90 118.95 119.34 1tnr s ARG 46 Ca 0.38 -1.05 0.08 0.00 -0.47 0.00 0.00 55.73 54.66 1tnr s ARG 46 Cb -0.19 0.28 0.12 0.00 -0.57 0.00 0.00 34.95 34.58 1tnr s ARG 46 CO 0.22 -0.19 1.00 0.00 -1.08 0.00 0.00 175.30 175.26 1tnr n ALA 47 N 0.08 1.99 -0.38 7.88 0.00 -1.26 -2.38 120.51 126.44 1tnr n ALA 47 Ca -0.15 -1.60 0.10 0.00 0.00 0.00 0.00 53.44 51.80 1tnr n ALA 47 Cb 0.61 -0.33 0.30 0.00 0.00 0.00 0.00 19.45 20.04 1tnr n ALA 47 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1tnr n ASN 48 N -0.64 3.91 -4.07 0.00 6.94 -1.26 -4.14 115.26 116.00 1tnr n ASN 48 Ca 0.06 -2.07 -0.09 0.00 -0.02 0.00 0.00 54.58 52.47 1tnr n ASN 48 Cb 0.59 -0.46 -0.09 0.00 -2.36 0.00 0.00 39.78 37.46 1tnr n ASN 48 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1tnr s THR 49 N -1.13 0.14 0.00 5.53 -4.23 -1.26 -5.06 115.64 109.63 1tnr s THR 49 Ca 0.45 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1tnr s THR 49 Cb 0.24 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 72.33 1tnr s THR 49 CO 0.29 -0.64 0.00 0.47 -0.54 0.00 0.00 174.62 174.20 1tnr n ASP 50 N -0.04 0.00 -1.68 3.99 8.00 -1.26 -2.49 116.55 123.06 1tnr n ASP 50 Ca -0.10 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.46 1tnr n ASP 50 Cb 0.63 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 42.07 1tnr n ASP 50 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1tnr n ARG 51 N 14.00 4.31 -2.04 -1.24 5.12 -1.26 -4.96 116.66 130.59 1tnr n ARG 51 Ca 0.00 -2.68 -0.32 0.00 -1.93 0.00 0.00 57.85 52.91 1tnr n ARG 51 Cb 0.00 -2.15 0.01 0.00 -1.16 0.00 0.00 32.46 29.16 1tnr n ARG 51 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1tnr s ALA 52 N -2.48 2.83 -0.02 7.54 0.00 -1.04 -4.92 121.76 123.67 1tnr s ALA 52 Ca 0.46 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 1tnr s ALA 52 Cb 0.35 -3.19 0.11 0.00 0.00 0.00 0.00 23.12 20.39 1tnr s ALA 52 CO 0.14 -0.73 1.12 -0.59 0.00 0.00 0.00 175.76 175.69 1tnr s PHE 53 N -2.63 -0.14 -0.01 0.00 -0.71 0.08 -4.74 117.98 109.84 1tnr s PHE 53 Ca 0.61 -0.01 0.00 0.00 -1.04 0.00 0.00 56.93 56.50 1tnr s PHE 53 Cb -0.14 0.56 0.01 0.00 -1.21 0.00 0.00 43.02 42.24 1tnr s PHE 53 CO 0.39 -0.44 -0.00 -0.51 -1.34 0.00 0.00 175.22 173.33 1tnr s LEU 54 N -2.68 1.81 -0.10 -1.99 1.43 -1.26 -1.12 118.68 114.76 1tnr s LEU 54 Ca 0.11 -0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 52.99 1tnr s LEU 54 Cb 0.01 -0.06 0.05 0.00 0.03 0.00 0.00 46.19 46.22 1tnr s LEU 54 CO -0.04 -0.02 0.50 0.00 0.23 0.00 0.00 176.35 177.03 1tnr s GLN 55 N 0.21 0.75 -1.13 1.70 -2.07 -0.70 -4.97 119.66 113.45 1tnr s GLN 55 Ca -0.02 0.33 -0.02 0.00 -1.82 0.00 0.00 55.36 53.83 1tnr s GLN 55 Cb -0.03 0.35 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 1tnr s GLN 55 CO -0.01 -0.17 0.30 -0.25 -1.32 0.00 0.00 175.29 173.84 1tnr n ASP 56 N 1.84 -4.65 0.00 12.60 8.00 -1.26 -2.41 116.55 130.67 1tnr n ASP 56 Ca -0.17 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.18 1tnr n ASP 56 Cb 0.56 -3.60 0.00 0.00 -0.02 0.00 0.00 41.12 38.06 1tnr n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tnr n GLY 57 N -1.21 2.09 3.78 0.44 0.00 -1.26 -4.37 105.19 104.66 1tnr n GLY 57 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1tnr n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tnr s PHE 58 N -2.31 2.96 0.17 1.61 0.08 -1.25 -4.34 117.98 114.90 1tnr s PHE 58 Ca 0.00 1.57 -0.16 0.00 0.12 0.00 0.00 56.93 58.46 1tnr s PHE 58 Cb 0.00 -3.25 0.02 0.00 -0.57 0.00 0.00 43.02 39.22 1tnr s PHE 58 CO 0.00 -1.19 0.46 -1.54 -0.10 0.00 0.00 175.22 172.85 1tnr s SER 59 N -1.57 -0.20 -0.35 1.36 1.04 -1.25 -4.58 113.70 108.13 1tnr s SER 59 Ca 0.64 -0.51 -0.04 0.00 0.48 0.00 0.00 55.95 56.53 1tnr s SER 59 Cb -0.24 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.48 1tnr s SER 59 CO 0.29 -0.98 0.11 -0.76 0.98 0.00 0.00 173.24 172.88 1tnr s LEU 60 N -2.87 4.53 0.32 2.42 1.43 -1.26 -1.70 118.68 121.55 1tnr s LEU 60 Ca 0.09 -1.51 0.09 0.00 -1.03 0.00 0.00 54.13 51.77 1tnr s LEU 60 Cb 0.00 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 1tnr s LEU 60 CO -0.04 -0.39 -0.03 -0.94 0.23 0.00 0.00 176.35 175.18 1tnr s SER 61 N 1.54 4.12 0.00 2.29 1.04 -1.07 -4.84 113.70 116.78 1tnr s SER 61 Ca 0.01 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1tnr s SER 61 Cb -0.21 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.38 1tnr s SER 61 CO -0.01 -0.17 0.00 0.59 0.98 0.00 0.00 173.24 174.63 1tnr n ASN 62 N -0.89 0.00 -2.18 7.02 4.13 -1.26 0.93 115.26 123.01 1tnr n ASN 62 Ca -0.05 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.12 1tnr n ASN 62 Cb 0.62 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.84 1tnr n ASN 62 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1tnr n ASN 63 N 0.77 -3.11 -4.26 6.41 5.15 -1.26 -4.94 115.26 114.02 1tnr n ASN 63 Ca 0.00 0.26 -0.20 0.00 -0.60 0.00 0.00 54.58 54.04 1tnr n ASN 63 Cb 0.00 -2.75 -0.11 0.00 -0.53 0.00 0.00 39.78 36.39 1tnr n ASN 63 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1tnr s SER 64 N -1.98 2.20 -0.14 1.20 0.01 0.26 -4.74 113.70 110.52 1tnr s SER 64 Ca 0.00 -0.78 -0.12 0.00 1.31 0.00 0.00 55.95 56.36 1tnr s SER 64 Cb 0.00 -0.10 -0.05 0.00 0.21 0.00 0.00 66.02 66.09 1tnr s SER 64 CO 0.00 -0.08 0.24 -0.76 0.41 0.00 0.00 173.24 173.05 1tnr s LEU 65 N -2.33 4.30 -0.28 2.44 1.43 -0.37 -2.61 118.68 121.26 1tnr s LEU 65 Ca 0.09 0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.59 1tnr s LEU 65 Cb -0.06 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1tnr s LEU 65 CO 0.04 0.21 0.18 -0.22 0.23 0.00 0.00 176.35 176.80 1tnr s LEU 66 N -0.09 4.01 -0.18 1.79 0.20 -0.69 -1.16 118.68 122.57 1tnr s LEU 66 Ca 0.15 -0.00 -0.29 0.00 0.69 0.00 0.00 54.13 54.68 1tnr s LEU 66 Cb -0.13 -2.11 -0.02 0.00 -0.43 0.00 0.00 46.19 43.50 1tnr s LEU 66 CO 0.04 -0.04 1.40 -0.69 -0.29 0.00 0.00 176.35 176.78 1tnr s VAL 67 N 1.69 4.02 0.21 1.68 1.01 -0.35 -3.94 120.40 124.72 1tnr s VAL 67 Ca 0.07 1.21 -0.01 0.00 0.00 0.00 0.00 61.98 63.25 1tnr s VAL 67 Cb -0.16 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1tnr s VAL 67 CO 0.10 -0.21 1.52 1.55 0.00 0.00 0.00 175.10 178.06 1tnr h PRO 68 N 9.09 0.45 -3.74 2.72 0.13 -1.91 0.17 132.00 138.91 1tnr h PRO 68 Ca -0.30 -0.29 -0.10 0.00 -0.87 0.00 0.00 66.00 64.44 1tnr h PRO 68 Cb 1.12 0.04 -0.16 0.00 0.13 0.00 0.00 31.00 32.13 1tnr h PRO 68 CO 0.98 0.89 -0.42 0.95 -0.23 0.00 0.00 178.00 180.18 1tnr s THR 69 N -3.92 0.13 0.46 1.56 -4.23 -1.26 -4.68 115.64 103.70 1tnr s THR 69 Ca -0.06 -1.10 -0.23 0.00 -1.18 0.00 0.00 61.69 59.12 1tnr s THR 69 Cb 0.11 -1.12 -0.07 0.00 1.34 0.00 0.00 72.50 72.76 1tnr s THR 69 CO 0.83 -0.61 1.20 -0.44 -0.54 0.00 0.00 174.62 175.06 1tnr s SER 70 N -2.46 6.12 0.00 3.99 0.01 -1.26 -4.12 113.70 115.98 1tnr s SER 70 Ca -0.00 2.40 0.00 0.00 1.31 0.00 0.00 55.95 59.66 1tnr s SER 70 Cb 0.02 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1tnr s SER 70 CO -0.07 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.23 1tnr n GLY 71 N 0.53 -1.09 3.71 3.44 0.00 -0.07 -4.88 105.19 106.83 1tnr n GLY 71 Ca 0.07 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 1tnr n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tnr s ILE 72 N -2.87 5.36 0.03 -0.61 1.01 -1.26 -0.03 121.20 122.83 1tnr s ILE 72 Ca 0.00 0.17 0.06 0.00 0.00 0.00 0.00 60.65 60.88 1tnr s ILE 72 Cb 0.00 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.00 1tnr s ILE 72 CO 0.00 0.43 -0.18 -0.31 0.00 0.00 0.00 174.94 174.88 1tnr s TYR 73 N 0.45 1.55 -0.20 3.97 1.51 0.09 -0.42 117.35 124.30 1tnr s TYR 73 Ca 0.08 -0.35 -0.14 0.00 -1.01 0.00 0.00 57.07 55.64 1tnr s TYR 73 Cb -0.11 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1tnr s TYR 73 CO -0.01 0.05 0.33 0.12 -1.11 0.00 0.00 175.55 174.93 1tnr s PHE 74 N -0.73 3.37 -0.07 2.71 5.36 0.46 -0.54 117.98 128.55 1tnr s PHE 74 Ca 0.05 0.53 0.05 0.00 -0.96 0.00 0.00 56.93 56.60 1tnr s PHE 74 Cb -0.08 -2.44 -0.01 0.00 -0.34 0.00 0.00 43.02 40.14 1tnr s PHE 74 CO 0.01 0.04 -0.21 0.08 -1.46 0.00 0.00 175.22 173.69 1tnr s VAL 75 N 1.13 2.42 0.05 3.12 1.01 0.27 -1.46 120.40 126.95 1tnr s VAL 75 Ca 0.16 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 1tnr s VAL 75 Cb -0.14 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1tnr s VAL 75 CO 0.07 0.57 0.12 -0.72 0.00 0.00 0.00 175.10 175.13 1tnr s TYR 76 N -0.22 0.21 -0.06 5.22 -0.85 0.32 -1.93 117.35 120.05 1tnr s TYR 76 Ca -0.01 -0.58 -0.31 0.00 -0.52 0.00 0.00 57.07 55.65 1tnr s TYR 76 Cb -0.13 -0.14 0.08 0.00 0.38 0.00 0.00 41.96 42.14 1tnr s TYR 76 CO 0.03 -0.42 0.71 0.45 -1.52 0.00 0.00 175.55 174.80 1tnr s SER 77 N -2.43 -0.63 0.01 -0.18 0.15 -0.64 -0.29 113.70 109.69 1tnr s SER 77 Ca -0.01 0.69 0.01 0.00 0.70 0.00 0.00 55.95 57.34 1tnr s SER 77 Cb 0.02 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 64.83 1tnr s SER 77 CO -0.07 -0.58 -0.03 -1.58 1.20 0.00 0.00 173.24 172.18 1tnr s GLN 78 N -1.18 0.27 0.03 5.44 0.74 -0.42 -2.10 119.66 122.45 1tnr s GLN 78 Ca -0.10 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 54.92 1tnr s GLN 78 Cb -0.00 -0.06 -0.02 0.00 1.10 0.00 0.00 33.01 34.02 1tnr s GLN 78 CO 0.09 0.00 -0.04 0.14 -0.55 0.00 0.00 175.29 174.94 1tnr s VAL 79 N -0.83 0.22 -0.04 1.34 -7.23 -0.83 -2.18 120.40 110.85 1tnr s VAL 79 Ca -0.08 -1.09 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 1tnr s VAL 79 Cb -0.06 -0.53 0.01 0.00 0.56 0.00 0.00 36.38 36.37 1tnr s VAL 79 CO -0.00 -0.55 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.47 1tnr s VAL 80 N -1.81 0.74 0.23 1.32 1.01 -1.24 -1.27 120.40 119.36 1tnr s VAL 80 Ca -0.11 -0.28 0.11 0.00 0.00 0.00 0.00 61.98 61.70 1tnr s VAL 80 Cb -0.07 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 1tnr s VAL 80 CO -0.02 0.25 -0.22 -0.36 0.00 0.00 0.00 175.10 174.76 1tnr s PHE 81 N 0.56 2.25 0.19 5.22 0.08 -0.31 -0.80 117.98 125.17 1tnr s PHE 81 Ca -0.09 -0.36 -0.12 0.00 0.12 0.00 0.00 56.93 56.48 1tnr s PHE 81 Cb -0.12 -1.06 -0.00 0.00 -0.57 0.00 0.00 43.02 41.27 1tnr s PHE 81 CO 0.01 0.57 0.38 -1.54 -0.10 0.00 0.00 175.22 174.55 1tnr s SER 82 N -3.01 -0.06 -0.04 1.36 1.04 0.44 -1.31 113.70 112.13 1tnr s SER 82 Ca 0.24 -0.81 -0.30 0.00 0.48 0.00 0.00 55.95 55.56 1tnr s SER 82 Cb -0.06 0.51 0.11 0.00 0.10 0.00 0.00 66.02 66.68 1tnr s SER 82 CO 0.12 -0.99 1.32 -0.83 0.98 0.00 0.00 173.24 173.84 1tnr s GLY 83 N -2.97 -0.29 -0.29 7.32 0.00 -0.95 -4.68 107.32 105.46 1tnr s GLY 83 Ca 0.17 0.42 0.01 0.00 0.00 0.00 0.00 44.72 45.33 1tnr s GLY 83 CO 0.02 3.03 0.67 1.25 0.00 0.00 0.00 173.10 178.07 1tnr s LYS 84 N -2.15 0.50 -0.09 2.90 2.20 -1.26 -1.45 119.74 120.39 1tnr s LYS 84 Ca 0.22 0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 56.15 1tnr s LYS 84 Cb 0.03 0.31 -0.06 0.00 -1.51 0.00 0.00 37.83 36.60 1tnr s LYS 84 CO -0.03 -0.81 1.85 0.00 -0.36 0.00 0.00 175.35 176.00 1tnr s ALA 85 N 2.86 3.37 -0.15 3.13 0.00 -1.26 -4.90 121.76 124.81 1tnr s ALA 85 Ca 0.14 0.93 0.17 0.00 0.00 0.00 0.00 51.96 53.20 1tnr s ALA 85 Cb -0.10 -3.86 -0.05 0.00 0.00 0.00 0.00 23.12 19.10 1tnr s ALA 85 CO -0.24 -1.83 1.05 1.88 0.00 0.00 0.00 175.76 176.63 1tnr h TYR 86 N 11.12 0.00 -3.16 0.00 -1.99 -1.97 -0.42 116.97 120.55 1tnr h TYR 86 Ca -0.42 0.00 -0.47 0.00 2.00 0.00 0.00 58.73 59.84 1tnr h TYR 86 Cb 1.20 0.00 -0.16 0.00 2.00 0.00 0.00 36.73 39.77 1tnr h TYR 86 CO 0.93 0.48 -0.76 -1.54 -0.00 0.00 0.00 178.16 177.27 1tnr s SER 87 N -5.95 2.53 0.54 3.88 1.04 -1.26 -4.86 113.70 109.62 1tnr s SER 87 Ca -0.00 -0.92 0.25 0.00 0.48 0.00 0.00 55.95 55.75 1tnr s SER 87 Cb 0.08 -0.13 1.50 0.00 0.10 0.00 0.00 66.02 67.57 1tnr s SER 87 CO 0.79 -0.11 2.15 -0.65 0.98 0.00 0.00 173.24 176.39 1tnr h PRO 88 N 2.99 0.00 -0.76 4.02 0.11 -2.01 -2.49 132.00 133.86 1tnr h PRO 88 Ca -0.40 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.72 1tnr h PRO 88 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1tnr h PRO 88 CO 0.56 0.06 0.51 0.87 -0.21 0.00 0.00 178.00 179.79 1tnr h LYS 89 N 0.00 1.01 0.00 1.05 1.57 -2.01 -2.50 116.57 115.69 1tnr h LYS 89 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1tnr h LYS 89 Cb 0.15 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1tnr h LYS 89 CO 0.01 0.67 0.00 0.00 -0.57 0.00 0.00 179.45 179.56 1tnr h ALA 90 N 1.28 1.00 -0.00 3.86 0.00 -1.83 -2.79 119.26 120.77 1tnr h ALA 90 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1tnr h ALA 90 Cb -0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1tnr h ALA 90 CO -0.06 0.00 -0.36 2.41 0.00 0.00 0.00 179.25 181.24 1tnr n THR 91 N -2.83 0.00 0.12 0.00 -1.04 -0.94 -4.42 114.28 105.17 1tnr n THR 91 Ca -0.00 -0.04 -0.05 0.00 -2.04 0.00 0.00 64.05 61.92 1tnr n THR 91 Cb 0.22 0.18 -0.02 0.00 -1.82 0.00 0.00 70.33 68.89 1tnr n THR 91 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1tnr h SER 92 N 0.35 -0.29 -2.99 8.00 0.02 -1.53 -3.45 113.55 113.66 1tnr h SER 92 Ca 0.00 0.01 -0.61 0.00 -0.84 0.00 0.00 61.79 60.35 1tnr h SER 92 Cb 0.49 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.06 1tnr h SER 92 CO 0.00 -0.11 -0.35 -0.44 -1.14 0.00 0.00 176.83 174.79 1tnr s SER 93 N -3.44 6.52 1.11 3.07 0.01 -1.26 -5.08 113.70 114.63 1tnr s SER 93 Ca -0.05 0.60 -0.16 0.00 1.31 0.00 0.00 55.95 57.64 1tnr s SER 93 Cb 0.00 -2.10 0.24 0.00 0.21 0.00 0.00 66.02 64.38 1tnr s SER 93 CO 0.15 0.20 1.12 -2.16 0.41 0.00 0.00 173.24 172.95 1tnr s PRO 94 N -1.99 -0.46 -0.10 12.44 0.04 -1.26 -4.79 135.00 138.89 1tnr s PRO 94 Ca 0.31 0.13 0.03 0.00 0.04 0.00 0.00 61.00 61.51 1tnr s PRO 94 Cb -0.13 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 1tnr s PRO 94 CO 0.19 -3.24 -0.20 -0.51 0.04 0.00 0.00 177.00 173.27 1tnr s LEU 95 N -6.68 2.34 -0.22 -3.56 1.02 0.73 -4.95 118.68 107.36 1tnr s LEU 95 Ca 0.69 -0.45 -0.12 0.00 0.02 0.00 0.00 54.13 54.27 1tnr s LEU 95 Cb -0.13 -1.48 -0.05 0.00 0.02 0.00 0.00 46.19 44.56 1tnr s LEU 95 CO 0.56 0.19 0.21 -0.47 0.02 0.00 0.00 176.35 176.87 1tnr s TYR 96 N 0.15 3.35 -0.08 0.29 5.04 -1.26 -0.68 117.35 124.17 1tnr s TYR 96 Ca -0.11 0.35 0.05 0.00 -2.44 0.00 0.00 57.07 54.91 1tnr s TYR 96 Cb -0.16 -2.31 -0.00 0.00 0.35 0.00 0.00 41.96 39.84 1tnr s TYR 96 CO 0.06 0.10 -0.22 -0.51 -1.34 0.00 0.00 175.55 173.64 1tnr s LEU 97 N 0.94 2.01 -0.06 6.97 1.43 -0.14 -4.50 118.68 125.33 1tnr s LEU 97 Ca 0.11 -0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 1tnr s LEU 97 Cb -0.13 -1.28 0.03 0.00 0.03 0.00 0.00 46.19 44.84 1tnr s LEU 97 CO 0.04 0.17 0.39 0.00 0.23 0.00 0.00 176.35 177.18 1tnr s ALA 98 N 0.18 -0.99 0.02 4.21 0.00 -0.50 -1.30 121.76 123.38 1tnr s ALA 98 Ca -0.12 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.55 1tnr s ALA 98 Cb -0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1tnr s ALA 98 CO 0.06 -0.26 -0.06 -1.58 0.00 0.00 0.00 175.76 173.93 1tnr s HIS 99 N -0.90 0.48 -0.18 0.00 5.04 -0.63 -0.72 115.29 118.38 1tnr s HIS 99 Ca -0.10 -0.37 -0.24 0.00 -1.54 0.00 0.00 55.06 52.81 1tnr s HIS 99 Cb -0.04 -0.30 0.06 0.00 0.04 0.00 0.00 32.58 32.34 1tnr s HIS 99 CO 0.04 -0.08 0.64 -2.00 -2.34 0.00 0.00 174.74 171.00 1tnr s GLU 100 N -1.10 0.83 -0.22 2.88 2.12 -0.60 -0.84 118.70 121.77 1tnr s GLU 100 Ca -0.08 0.69 -0.06 0.00 0.36 0.00 0.00 54.97 55.88 1tnr s GLU 100 Cb -0.07 0.40 -0.03 0.00 0.26 0.00 0.00 34.13 34.69 1tnr s GLU 100 CO -0.00 -0.16 0.03 0.08 -0.54 0.00 0.00 175.26 174.67 1tnr s VAL 101 N -0.13 4.11 0.21 3.70 1.01 0.24 -1.19 120.40 128.34 1tnr s VAL 101 Ca -0.03 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 61.79 1tnr s VAL 101 Cb -0.03 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1tnr s VAL 101 CO 0.03 0.40 -0.08 -1.10 0.00 0.00 0.00 175.10 174.35 1tnr s GLN 102 N 1.22 2.09 -0.04 2.72 -0.21 0.10 -0.22 119.66 125.32 1tnr s GLN 102 Ca 0.04 -1.35 0.06 0.00 0.02 0.00 0.00 55.36 54.13 1tnr s GLN 102 Cb -0.15 -2.12 -0.02 0.00 1.00 0.00 0.00 33.01 31.72 1tnr s GLN 102 CO 0.02 0.41 -0.21 -1.17 -2.12 0.00 0.00 175.29 172.21 1tnr s LEU 103 N -3.11 2.32 -0.31 2.90 2.96 0.15 -1.22 118.68 122.37 1tnr s LEU 103 Ca 0.27 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1tnr s LEU 103 Cb -0.08 -1.43 0.09 0.00 0.50 0.00 0.00 46.19 45.28 1tnr s LEU 103 CO 0.16 0.32 0.06 0.12 -1.32 0.00 0.00 176.35 175.69 1tnr s PHE 104 N -0.58 2.41 0.19 5.38 5.36 -0.15 -0.89 117.98 129.70 1tnr s PHE 104 Ca 0.08 -2.11 0.07 0.00 -0.96 0.00 0.00 56.93 54.01 1tnr s PHE 104 Cb -0.11 -2.06 -0.04 0.00 -0.34 0.00 0.00 43.02 40.47 1tnr s PHE 104 CO 0.00 -0.88 0.03 0.45 -1.46 0.00 0.00 175.22 173.36 1tnr s SER 105 N 1.37 4.88 0.18 6.13 0.15 -1.26 -0.95 113.70 124.21 1tnr s SER 105 Ca 0.08 -0.38 0.21 0.00 0.70 0.00 0.00 55.95 56.56 1tnr s SER 105 Cb -0.18 -1.07 0.87 0.00 -1.71 0.00 0.00 66.02 63.93 1tnr s SER 105 CO -0.17 0.07 1.64 -1.54 1.20 0.00 0.00 173.24 174.43 1tnr n SER 106 N -0.28 0.47 0.22 5.45 3.41 -1.26 -2.78 113.62 118.84 1tnr n SER 106 Ca -0.09 0.62 0.15 0.00 -0.26 0.00 0.00 58.87 59.29 1tnr n SER 106 Cb 0.56 -0.71 0.64 0.00 -0.26 0.00 0.00 64.21 64.43 1tnr n SER 106 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1tnr h GLN 107 N 0.00 0.00 -2.58 4.33 4.20 -2.00 -3.44 115.11 115.62 1tnr h GLN 107 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1tnr h GLN 107 Cb 0.33 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 27.87 1tnr h GLN 107 CO 0.00 0.00 -0.19 -0.47 -0.67 0.00 0.00 178.83 177.50 1tnr s TYR 108 N -3.55 -0.57 -1.75 2.96 5.04 -1.12 -5.05 117.35 113.31 1tnr s TYR 108 Ca 0.02 1.31 0.13 0.00 -2.44 0.00 0.00 57.07 56.09 1tnr s TYR 108 Cb 0.09 0.23 0.72 0.00 0.35 0.00 0.00 41.96 43.34 1tnr s TYR 108 CO 0.46 -0.29 1.25 -0.35 -1.34 0.00 0.00 175.55 175.28 1tnr n PRO 109 N 3.29 0.31 -4.43 4.97 -0.04 -1.26 -4.44 135.00 133.40 1tnr n PRO 109 Ca -0.16 0.07 -0.25 0.00 -0.04 0.00 0.00 63.50 63.12 1tnr n PRO 109 Cb 0.56 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 1tnr n PRO 109 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1tnr s PHE 110 N -2.25 2.34 0.19 0.54 0.08 -1.26 -5.08 117.98 112.53 1tnr s PHE 110 Ca 0.16 -0.33 -0.30 0.00 0.12 0.00 0.00 56.93 56.58 1tnr s PHE 110 Cb 0.09 -1.09 -0.08 0.00 -0.57 0.00 0.00 43.02 41.37 1tnr s PHE 110 CO 0.17 0.61 1.20 -1.01 -0.10 0.00 0.00 175.22 176.08 1tnr s HIS 111 N -2.08 3.43 -0.08 0.36 3.76 -1.26 -4.71 115.29 114.70 1tnr s HIS 111 Ca 0.26 1.43 0.03 0.00 -0.15 0.00 0.00 55.06 56.63 1tnr s HIS 111 Cb -0.07 -3.43 0.01 0.00 1.11 0.00 0.00 32.58 30.20 1tnr s HIS 111 CO 0.13 -1.19 -0.16 0.08 -0.85 0.00 0.00 174.74 172.74 1tnr s VAL 112 N -0.09 1.46 0.10 -0.90 1.01 -0.06 -4.92 120.40 116.99 1tnr s VAL 112 Ca 0.53 -0.67 -0.31 0.00 0.00 0.00 0.00 61.98 61.53 1tnr s VAL 112 Cb -0.33 -1.30 -0.07 0.00 0.00 0.00 0.00 36.38 34.69 1tnr s VAL 112 CO 0.37 0.43 1.27 -2.84 0.00 0.00 0.00 175.10 174.33 1tnr s PRO 113 N 0.53 4.39 -0.19 2.72 0.02 -1.26 0.33 135.00 141.54 1tnr s PRO 113 Ca -0.16 1.90 0.07 0.00 0.02 0.00 0.00 61.00 62.84 1tnr s PRO 113 Cb -0.16 -3.29 -0.17 0.00 0.02 0.00 0.00 34.50 30.89 1tnr s PRO 113 CO 0.05 -0.31 -0.09 1.28 -0.33 0.00 0.00 177.00 177.61 1tnr n LEU 114 N 3.76 1.73 -3.78 -5.54 4.77 0.70 -4.91 117.00 113.72 1tnr n LEU 114 Ca 0.09 -0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 1tnr n LEU 114 Cb 0.45 -0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 41.15 1tnr n LEU 114 CO 0.57 0.67 -0.11 -0.76 -1.33 0.00 0.00 177.39 176.43 1tnr s LEU 115 N -5.82 1.00 -0.04 2.23 1.43 -1.14 -4.99 118.68 111.33 1tnr s LEU 115 Ca -0.20 0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 53.33 1tnr s LEU 115 Cb 0.06 0.77 0.02 0.00 0.03 0.00 0.00 46.19 47.07 1tnr s LEU 115 CO 0.57 -0.09 0.11 -0.44 0.23 0.00 0.00 176.35 176.73 1tnr s SER 116 N 0.33 -0.11 -0.04 2.29 0.01 -1.26 -0.59 113.70 114.32 1tnr s SER 116 Ca -0.02 0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.50 1tnr s SER 116 Cb -0.03 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1tnr s SER 116 CO -0.01 -0.06 -0.12 -0.44 0.41 0.00 0.00 173.24 173.02 1tnr s SER 117 N 0.25 1.64 0.08 2.44 0.01 -0.02 -5.00 113.70 113.10 1tnr s SER 117 Ca -0.02 -0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.01 1tnr s SER 117 Cb -0.03 -0.55 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 1tnr s SER 117 CO -0.01 0.08 -0.09 -1.10 0.41 0.00 0.00 173.24 172.53 1tnr s GLN 118 N 0.31 0.77 -0.17 12.44 -0.21 -1.26 -1.60 119.66 129.94 1tnr s GLN 118 Ca -0.07 -1.09 -0.25 0.00 0.02 0.00 0.00 55.36 53.97 1tnr s GLN 118 Cb -0.12 -0.44 0.06 0.00 1.00 0.00 0.00 33.01 33.52 1tnr s GLN 118 CO 0.02 0.06 0.64 0.21 -2.12 0.00 0.00 175.29 174.10 1tnr s LYS 119 N -2.64 0.85 -0.13 2.91 2.47 -0.42 -5.01 119.74 117.76 1tnr s LYS 119 Ca 0.03 0.62 -0.00 0.00 -1.56 0.00 0.00 55.97 55.05 1tnr s LYS 119 Cb -0.03 0.41 -0.01 0.00 -1.46 0.00 0.00 37.83 36.73 1tnr s LYS 119 CO -0.01 -0.18 -0.12 1.41 0.16 0.00 0.00 175.35 176.61 1tnr s MET 120 N -0.27 3.39 -0.10 4.03 -2.45 -1.26 -0.97 119.30 121.67 1tnr s MET 120 Ca -0.05 -0.68 0.02 0.00 -1.25 0.00 0.00 55.69 53.73 1tnr s MET 120 Cb -0.03 -2.66 -0.02 0.00 1.25 0.00 0.00 34.83 33.38 1tnr s MET 120 CO 0.04 0.20 -0.15 0.08 1.05 0.00 0.00 175.02 176.23 1tnr s VAL 121 N 0.40 2.87 -0.65 10.11 1.01 0.14 -4.93 120.40 129.34 1tnr s VAL 121 Ca -0.10 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 1tnr s VAL 121 Cb -0.16 -2.16 0.17 0.00 0.00 0.00 0.00 36.38 34.23 1tnr s VAL 121 CO 0.05 0.55 0.49 -0.31 0.00 0.00 0.00 175.10 175.88 1tnr s TYR 122 N 0.04 3.49 0.32 5.22 2.02 -1.26 -0.19 117.35 126.98 1tnr s TYR 122 Ca -0.06 -2.51 -0.29 0.00 -0.37 0.00 0.00 57.07 53.84 1tnr s TYR 122 Cb -0.15 -3.34 -0.11 0.00 -0.40 0.00 0.00 41.96 37.96 1tnr s TYR 122 CO 0.05 -0.89 1.57 -2.30 -1.57 0.00 0.00 175.55 172.41 1tnr n PRO 123 N 3.72 2.72 -3.95 -1.71 -0.02 -1.26 -5.02 135.00 129.47 1tnr n PRO 123 Ca 0.08 0.96 -0.29 0.00 -2.02 0.00 0.00 63.50 62.23 1tnr n PRO 123 Cb 0.40 -2.74 -0.04 0.00 -0.02 0.00 0.00 33.50 31.10 1tnr n PRO 123 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1tnr s GLY 124 N 0.33 1.99 -0.21 -1.23 0.00 -1.26 -4.58 107.32 102.36 1tnr s GLY 124 Ca 0.61 -0.94 -0.29 0.00 0.00 0.00 0.00 44.72 44.10 1tnr s GLY 124 CO 0.53 -0.93 1.98 -2.27 0.00 0.00 0.00 173.10 172.41 1tnr s LEU 125 N -2.76 3.67 0.00 0.66 2.96 -1.26 -3.01 118.68 118.93 1tnr s LEU 125 Ca 0.34 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 56.06 1tnr s LEU 125 Cb -0.12 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.05 1tnr s LEU 125 CO 0.27 -1.66 0.00 1.67 -1.32 0.00 0.00 176.35 175.32 1tnr n GLN 126 N 8.33 0.00 -3.08 1.98 -0.06 -0.17 -5.01 117.38 119.37 1tnr n GLN 126 Ca 0.25 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.84 1tnr n GLN 126 Cb 0.45 -1.52 -0.06 0.00 -4.06 0.00 0.00 30.24 25.05 1tnr n GLN 126 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1tnr s GLU 127 N 0.00 4.03 0.38 3.69 2.02 -1.17 -4.89 118.70 122.76 1tnr s GLU 127 Ca 0.00 0.50 -0.25 0.00 0.02 0.00 0.00 54.97 55.24 1tnr s GLU 127 Cb 0.00 -3.68 -0.09 0.00 0.10 0.00 0.00 34.13 30.46 1tnr s GLU 127 CO 0.00 -0.50 1.08 -1.25 0.02 0.00 0.00 175.26 174.61 1tnr s PRO 128 N 2.62 4.20 0.14 0.39 0.04 -1.26 -4.39 135.00 136.74 1tnr s PRO 128 Ca 0.27 1.63 0.09 0.00 0.04 0.00 0.00 61.00 63.03 1tnr s PRO 128 Cb -0.15 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 1tnr s PRO 128 CO 0.10 -0.13 -0.13 1.67 0.04 0.00 0.00 177.00 178.55 1tnr s TRP 129 N -1.53 2.61 -0.06 0.56 1.48 -0.53 -4.97 118.94 116.51 1tnr s TRP 129 Ca 0.56 -0.23 -0.02 0.00 -1.06 0.00 0.00 56.10 55.35 1tnr s TRP 129 Cb -0.25 -1.33 0.04 0.00 -1.16 0.00 0.00 33.47 30.76 1tnr s TRP 129 CO 0.32 0.45 0.12 -0.51 -4.06 0.00 0.00 176.95 173.27 1tnr s LEU 130 N -2.46 0.56 0.02 -4.66 1.43 -1.26 -2.24 118.68 110.07 1tnr s LEU 130 Ca 0.22 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 1tnr s LEU 130 Cb -0.10 0.21 -0.01 0.00 0.03 0.00 0.00 46.19 46.31 1tnr s LEU 130 CO 0.13 -0.18 -0.05 -2.28 0.23 0.00 0.00 176.35 174.21 1tnr s HIS 131 N 1.50 0.40 0.03 0.29 2.46 -0.43 -5.01 115.29 114.53 1tnr s HIS 131 Ca -0.05 -0.34 0.07 0.00 0.47 0.00 0.00 55.06 55.21 1tnr s HIS 131 Cb -0.12 -0.25 -0.02 0.00 -0.13 0.00 0.00 32.58 32.05 1tnr s HIS 131 CO -0.05 -0.08 -0.21 -1.12 -2.47 0.00 0.00 174.74 170.80 1tnr s SER 132 N -0.98 2.52 -0.02 9.88 0.01 -1.26 -1.16 113.70 122.69 1tnr s SER 132 Ca -0.08 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.71 1tnr s SER 132 Cb -0.07 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.94 1tnr s SER 132 CO -0.00 0.19 -0.05 -0.04 0.41 0.00 0.00 173.24 173.75 1tnr s MET 133 N -0.99 0.58 0.02 12.44 -1.94 -0.40 -5.02 119.30 123.99 1tnr s MET 133 Ca 0.08 -0.16 0.01 0.00 -1.71 0.00 0.00 55.69 53.90 1tnr s MET 133 Cb -0.09 -0.59 -0.02 0.00 2.01 0.00 0.00 34.83 36.15 1tnr s MET 133 CO 0.01 0.05 -0.04 -0.47 -0.01 0.00 0.00 175.02 174.56 1tnr s TYR 134 N 0.25 0.32 -0.06 -0.03 5.04 -1.26 -1.97 117.35 119.65 1tnr s TYR 134 Ca -0.03 -0.41 -0.27 0.00 -2.44 0.00 0.00 57.07 53.92 1tnr s TYR 134 Cb -0.07 -0.21 0.06 0.00 0.35 0.00 0.00 41.96 42.09 1tnr s TYR 134 CO -0.00 -0.13 0.60 -3.38 -1.34 0.00 0.00 175.55 171.31 1tnr s HIS 135 N -1.13 -0.57 -0.21 4.97 -3.43 -0.89 -5.03 115.29 108.99 1tnr s HIS 135 Ca -0.11 1.01 -0.27 0.00 -0.80 0.00 0.00 55.06 54.88 1tnr s HIS 135 Cb -0.08 0.34 0.11 0.00 -1.43 0.00 0.00 32.58 31.51 1tnr s HIS 135 CO -0.00 -0.55 0.92 0.20 -2.00 0.00 0.00 174.74 173.31 1tnr s GLY 136 N -1.10 -0.31 0.27 -1.38 0.00 -1.26 -1.63 107.32 101.92 1tnr s GLY 136 Ca -0.11 2.20 -0.20 0.00 0.00 0.00 0.00 44.72 46.61 1tnr s GLY 136 CO 0.08 1.48 0.68 0.00 0.00 0.00 0.00 173.10 175.34 1tnr s ALA 137 N -0.31 -1.05 -0.12 3.20 0.00 -0.81 -4.97 121.76 117.70 1tnr s ALA 137 Ca -0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 1tnr s ALA 137 Cb -0.03 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1tnr s ALA 137 CO -0.01 -1.01 0.05 0.00 0.00 0.00 0.00 175.76 174.79 1tnr s ALA 138 N -3.94 3.45 0.05 0.00 0.00 -1.26 -0.57 121.76 119.50 1tnr s ALA 138 Ca 0.13 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.33 1tnr s ALA 138 Cb -0.05 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1tnr s ALA 138 CO 0.07 0.50 -0.03 -0.06 0.00 0.00 0.00 175.76 176.24 1tnr s PHE 139 N -0.63 0.52 -0.54 0.00 0.08 0.30 -4.95 117.98 112.76 1tnr s PHE 139 Ca 0.11 -0.95 -0.20 0.00 0.12 0.00 0.00 56.93 56.01 1tnr s PHE 139 Cb -0.12 -0.37 0.07 0.00 -0.57 0.00 0.00 43.02 42.03 1tnr s PHE 139 CO 0.02 -0.32 0.70 -0.65 -0.10 0.00 0.00 175.22 174.88 1tnr s GLN 140 N -3.45 3.13 0.25 0.44 -0.21 -1.26 -0.73 119.66 117.82 1tnr s GLN 140 Ca 0.03 -0.91 0.06 0.00 0.02 0.00 0.00 55.36 54.56 1tnr s GLN 140 Cb 0.04 -4.14 -0.03 0.00 1.00 0.00 0.00 33.01 29.88 1tnr s GLN 140 CO -0.08 -1.37 0.29 -0.51 -2.12 0.00 0.00 175.29 171.51 1tnr s LEU 141 N 2.90 4.09 -0.02 2.90 1.43 0.96 -4.96 118.68 125.97 1tnr s LEU 141 Ca 0.17 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1tnr s LEU 141 Cb -0.19 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 1tnr s LEU 141 CO 0.11 -0.07 -0.11 -0.89 0.23 0.00 0.00 176.35 175.62 1tnr s THR 142 N -2.05 3.31 0.27 5.49 2.01 -1.26 -0.90 115.64 122.52 1tnr s THR 142 Ca 0.34 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 61.29 1tnr s THR 142 Cb -0.08 -2.37 -0.14 0.00 0.01 0.00 0.00 72.50 69.92 1tnr s THR 142 CO 0.27 0.49 1.04 1.67 -0.69 0.00 0.00 174.62 177.41 1tnr n GLN 143 N 1.95 1.34 0.00 4.92 7.27 -1.26 -1.56 117.38 130.04 1tnr n GLN 143 Ca -0.17 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.38 1tnr n GLN 143 Cb 0.52 -1.87 0.00 0.00 2.41 0.00 0.00 30.24 31.31 1tnr n GLN 143 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1tnr n GLY 144 N 1.36 3.07 3.58 1.69 0.00 0.59 -4.91 105.19 110.56 1tnr n GLY 144 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1tnr n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tnr n ASP 145 N 0.17 0.01 -4.21 1.61 8.00 -0.60 -4.65 116.55 116.88 1tnr n ASP 145 Ca 0.00 0.63 -0.29 0.00 0.71 0.00 0.00 54.79 55.83 1tnr n ASP 145 Cb 0.00 -1.36 -0.16 0.00 -0.02 0.00 0.00 41.12 39.57 1tnr n ASP 145 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1tnr s GLN 146 N -3.29 2.28 -0.16 -1.24 -0.21 -0.12 -1.21 119.66 115.71 1tnr s GLN 146 Ca 0.71 -0.79 -0.04 0.00 0.02 0.00 0.00 55.36 55.25 1tnr s GLN 146 Cb -0.33 -1.93 -0.03 0.00 1.00 0.00 0.00 33.01 31.72 1tnr s GLN 146 CO 0.53 0.32 -0.02 -0.51 -2.12 0.00 0.00 175.29 173.49 1tnr s LEU 147 N -0.05 3.34 0.20 2.90 1.43 -0.31 -0.98 118.68 125.21 1tnr s LEU 147 Ca -0.05 -0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 52.90 1tnr s LEU 147 Cb -0.13 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1tnr s LEU 147 CO 0.03 0.16 0.25 -0.94 0.23 0.00 0.00 176.35 176.08 1tnr s SER 148 N 0.42 0.08 0.17 2.29 1.04 -0.36 -1.23 113.70 116.10 1tnr s SER 148 Ca -0.02 -1.17 0.10 0.00 0.48 0.00 0.00 55.95 55.34 1tnr s SER 148 Cb -0.14 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 1tnr s SER 148 CO 0.02 -0.93 -0.23 0.42 0.98 0.00 0.00 173.24 173.51 1tnr s THR 149 N -4.08 2.14 -0.03 2.02 -4.23 -1.26 0.01 115.64 110.21 1tnr s THR 149 Ca 0.30 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 58.91 1tnr s THR 149 Cb 0.04 -1.98 0.01 0.00 1.34 0.00 0.00 72.50 71.91 1tnr s THR 149 CO 0.09 -0.14 -0.06 -2.28 -0.54 0.00 0.00 174.62 171.69 1tnr s HIS 150 N -1.64 0.76 -0.03 3.99 5.04 -0.34 -4.94 115.29 118.12 1tnr s HIS 150 Ca 0.17 -0.19 0.03 0.00 -1.54 0.00 0.00 55.06 53.53 1tnr s HIS 150 Cb -0.08 -0.59 0.00 0.00 0.04 0.00 0.00 32.58 31.95 1tnr s HIS 150 CO 0.08 -0.12 -0.11 0.99 -2.34 0.00 0.00 174.74 173.24 1tnr s THR 151 N 0.45 0.97 -0.35 0.89 2.01 -1.26 -1.56 115.64 116.80 1tnr s THR 151 Ca -0.06 -0.46 -0.07 0.00 0.31 0.00 0.00 61.69 61.41 1tnr s THR 151 Cb -0.10 -0.86 0.04 0.00 0.01 0.00 0.00 72.50 71.60 1tnr s THR 151 CO 0.00 0.30 0.12 -1.81 -0.69 0.00 0.00 174.62 172.54 1tnr s ASP 152 N 0.18 5.36 0.00 3.53 1.01 0.10 -4.44 116.67 122.42 1tnr s ASP 152 Ca -0.04 -1.16 0.00 0.00 0.71 0.00 0.00 52.55 52.06 1tnr s ASP 152 Cb -0.10 -1.88 0.00 0.00 1.01 0.00 0.00 42.92 41.95 1tnr s ASP 152 CO 0.01 -0.34 0.00 0.61 0.21 0.00 0.00 175.17 175.66 1tnr n GLY 153 N 4.83 1.34 0.32 0.21 0.00 -1.26 -1.41 105.19 109.21 1tnr n GLY 153 Ca -0.12 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.06 1tnr n GLY 153 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1tnr h ILE 154 N 0.00 0.29 0.00 -0.61 2.04 -1.94 0.15 117.51 117.44 1tnr h ILE 154 Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1tnr h ILE 154 Cb 0.00 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.12 1tnr h ILE 154 CO 0.00 0.04 0.01 -0.65 0.00 0.00 0.00 178.15 177.55 1tnr h PRO 155 N 0.23 0.00 -0.49 2.37 0.11 -1.88 -2.56 132.00 129.77 1tnr h PRO 155 Ca 0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.72 1tnr h PRO 155 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1tnr h PRO 155 CO -0.66 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 177.85 1tnr n HIS 156 N -2.48 0.73 -2.34 0.65 8.25 0.52 -5.01 115.22 115.55 1tnr n HIS 156 Ca -0.02 -0.52 -0.38 0.00 -0.26 0.00 0.00 57.72 56.54 1tnr n HIS 156 Cb 0.05 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1tnr n HIS 156 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1tnr s LEU 157 N -1.14 4.15 -0.76 2.41 1.43 -0.97 -0.42 118.68 123.39 1tnr s LEU 157 Ca 0.35 2.28 -0.14 0.00 -1.03 0.00 0.00 54.13 55.58 1tnr s LEU 157 Cb 0.19 -4.09 0.20 0.00 0.03 0.00 0.00 46.19 42.52 1tnr s LEU 157 CO 0.22 -0.68 0.70 -0.69 0.23 0.00 0.00 176.35 176.13 1tnr s VAL 158 N -1.48 5.48 -0.46 -1.59 1.01 0.02 -4.82 120.40 118.56 1tnr s VAL 158 Ca 0.58 -2.26 -0.28 0.00 0.00 0.00 0.00 61.98 60.02 1tnr s VAL 158 Cb -0.29 -4.42 0.01 0.00 0.00 0.00 0.00 36.38 31.69 1tnr s VAL 158 CO 0.36 -0.99 1.41 -0.76 0.00 0.00 0.00 175.10 175.12 1tnr s LEU 159 N 0.48 3.53 0.05 3.92 1.43 -1.26 -4.39 118.68 122.45 1tnr s LEU 159 Ca 0.14 0.64 -0.19 0.00 -1.03 0.00 0.00 54.13 53.69 1tnr s LEU 159 Cb -0.15 -3.39 0.04 0.00 0.03 0.00 0.00 46.19 42.73 1tnr s LEU 159 CO -0.06 -1.52 0.45 -0.94 0.23 0.00 0.00 176.35 174.50 1tnr s SER 160 N 4.08 -0.33 0.60 2.29 1.04 -1.26 -4.80 113.70 115.32 1tnr s SER 160 Ca 0.58 0.03 0.37 0.00 0.48 0.00 0.00 55.95 57.41 1tnr s SER 160 Cb -0.12 0.45 1.88 0.00 0.10 0.00 0.00 66.02 68.33 1tnr s SER 160 CO 0.30 -0.70 2.19 1.55 0.98 0.00 0.00 173.24 177.56 1tnr h PRO 161 N 2.87 0.00 -0.00 4.02 0.13 -1.86 -2.24 132.00 134.92 1tnr h PRO 161 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1tnr h PRO 161 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1tnr h PRO 161 CO 0.43 0.03 -0.65 -1.13 -0.23 0.00 0.00 178.00 176.44 1tnr n SER 162 N -3.24 0.76 -0.07 1.44 3.41 -1.26 -4.51 113.62 110.16 1tnr n SER 162 Ca -0.02 -0.59 -0.09 0.00 -0.26 0.00 0.00 58.87 57.91 1tnr n SER 162 Cb 0.18 0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 64.55 1tnr n SER 162 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1tnr n THR 163 N -1.39 0.90 -3.99 6.66 -2.24 -1.02 -4.92 114.28 108.28 1tnr n THR 163 Ca 0.06 -0.44 -0.31 0.00 -2.27 0.00 0.00 64.05 61.09 1tnr n THR 163 Cb 0.34 -0.88 -0.15 0.00 -2.10 0.00 0.00 70.33 67.54 1tnr n THR 163 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1tnr s VAL 164 N -2.31 2.00 0.23 2.28 1.01 -0.87 -3.69 120.40 119.04 1tnr s VAL 164 Ca -0.14 -1.93 -0.02 0.00 0.00 0.00 0.00 61.98 59.89 1tnr s VAL 164 Cb 0.05 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1tnr s VAL 164 CO 0.44 -0.41 0.22 0.72 0.00 0.00 0.00 175.10 176.08 1tnr s PHE 165 N 1.09 1.09 -0.24 5.22 -0.12 -0.93 -0.98 117.98 123.12 1tnr s PHE 165 Ca 0.04 -1.30 -0.19 0.00 -0.05 0.00 0.00 56.93 55.43 1tnr s PHE 165 Cb -0.19 -0.43 0.06 0.00 -0.63 0.00 0.00 43.02 41.84 1tnr s PHE 165 CO -0.09 -0.75 0.61 0.12 -0.05 0.00 0.00 175.22 175.06 1tnr s PHE 166 N -3.99 -0.75 0.22 3.49 5.36 -0.04 -1.30 117.98 120.98 1tnr s PHE 166 Ca 0.36 1.72 -0.22 0.00 -0.96 0.00 0.00 56.93 57.83 1tnr s PHE 166 Cb 0.05 0.31 0.06 0.00 -0.34 0.00 0.00 43.02 43.10 1tnr s PHE 166 CO 0.14 -0.37 0.91 0.20 -1.46 0.00 0.00 175.22 174.65 1tnr s GLY 167 N 0.67 -0.02 0.12 13.12 0.00 0.60 0.26 107.32 122.08 1tnr s GLY 167 Ca -0.03 -0.21 -0.21 0.00 0.00 0.00 0.00 44.72 44.27 1tnr s GLY 167 CO -0.04 0.54 0.53 0.00 0.00 0.00 0.00 173.10 174.13 1tnr s ALA 168 N -2.94 -1.37 -0.19 3.20 0.00 -0.69 -0.52 121.76 119.24 1tnr s ALA 168 Ca 0.15 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.29 1tnr s ALA 168 Cb -0.03 0.71 0.06 0.00 0.00 0.00 0.00 23.12 23.86 1tnr s ALA 168 CO 0.05 -0.67 0.58 -0.59 0.00 0.00 0.00 175.76 175.13 1tnr s PHE 169 N -3.43 -0.62 0.26 0.00 -0.12 -0.53 -0.79 117.98 112.74 1tnr s PHE 169 Ca -0.00 1.47 -0.30 0.00 -0.05 0.00 0.00 56.93 58.05 1tnr s PHE 169 Cb -0.00 0.23 -0.09 0.00 -0.63 0.00 0.00 43.02 42.53 1tnr s PHE 169 CO -0.10 -0.34 1.09 0.00 -0.05 0.00 0.00 175.22 175.83 1tnr s ALA 170 N 0.10 3.40 -2.33 1.99 0.00 -0.66 -0.40 121.76 123.86 1tnr s ALA 170 Ca -0.02 0.87 0.29 0.00 0.00 0.00 0.00 51.96 53.11 1tnr s ALA 170 Cb -0.04 -3.32 1.34 0.00 0.00 0.00 0.00 23.12 21.10 1tnr s ALA 170 CO 0.02 -0.15 1.91 1.28 0.00 0.00 0.00 175.76 178.82