#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tt6 n PRO 11 N 0.00 0.18 -3.89 0.00 -0.04 -1.26 -4.73 135.00 125.25 1tt6 n PRO 11 Ca 0.00 0.30 -0.21 0.00 -0.04 0.00 0.00 63.50 63.56 1tt6 n PRO 11 Cb 0.00 -1.78 -0.17 0.00 -0.04 0.00 0.00 33.50 31.51 1tt6 n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1tt6 s LEU 12 N -4.23 0.87 0.01 1.53 2.96 -1.26 -0.18 118.68 118.39 1tt6 s LEU 12 Ca 0.07 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 1tt6 s LEU 12 Cb 0.11 -0.36 -0.01 0.00 0.50 0.00 0.00 46.19 46.42 1tt6 s LEU 12 CO 0.46 -0.14 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.95 1tt6 s MET 13 N 1.50 0.55 -0.05 1.98 -2.45 -0.27 -4.41 119.30 116.16 1tt6 s MET 13 Ca -0.02 -0.44 0.06 0.00 -1.25 0.00 0.00 55.69 54.03 1tt6 s MET 13 Cb -0.13 -0.47 -0.01 0.00 1.25 0.00 0.00 34.83 35.47 1tt6 s MET 13 CO -0.03 0.12 -0.23 0.08 1.05 0.00 0.00 175.02 176.01 1tt6 s VAL 14 N -0.60 1.86 -0.04 10.11 1.01 -1.04 -0.44 120.40 131.26 1tt6 s VAL 14 Ca -0.01 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.03 1tt6 s VAL 14 Cb -0.05 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1tt6 s VAL 14 CO 0.00 0.52 -0.09 -0.75 0.00 0.00 0.00 175.10 174.78 1tt6 s LYS 15 N -0.11 1.13 -0.07 2.72 2.20 0.13 -0.81 119.74 124.93 1tt6 s LYS 15 Ca -0.03 -0.29 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 1tt6 s LYS 15 Cb -0.13 -1.02 0.02 0.00 -1.51 0.00 0.00 37.83 35.18 1tt6 s LYS 15 CO 0.03 0.05 -0.09 0.08 -0.36 0.00 0.00 175.35 175.06 1tt6 s VAL 16 N 0.47 0.95 0.21 4.02 1.01 0.07 -0.79 120.40 126.35 1tt6 s VAL 16 Ca -0.08 -0.35 0.12 0.00 0.00 0.00 0.00 61.98 61.67 1tt6 s VAL 16 Cb -0.12 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1tt6 s VAL 16 CO 0.01 0.32 -0.23 -0.76 0.00 0.00 0.00 175.10 174.44 1tt6 s LEU 17 N 0.91 2.47 -0.28 3.92 1.43 -0.41 -1.20 118.68 125.51 1tt6 s LEU 17 Ca -0.10 -0.91 -0.06 0.00 -1.03 0.00 0.00 54.13 52.03 1tt6 s LEU 17 Cb -0.15 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 44.93 1tt6 s LEU 17 CO 0.01 0.10 0.05 -0.62 0.23 0.00 0.00 176.35 176.12 1tt6 s ASP 18 N -2.86 4.96 0.00 2.29 -1.08 0.12 -0.99 116.67 119.11 1tt6 s ASP 18 Ca 0.23 -0.68 0.28 0.00 -0.52 0.00 0.00 52.55 51.86 1tt6 s ASP 18 Cb -0.07 -1.84 1.25 0.00 -1.46 0.00 0.00 42.92 40.80 1tt6 s ASP 18 CO 0.11 -0.16 1.91 0.00 0.52 0.00 0.00 175.17 177.55 1tt6 n ALA 19 N 4.84 2.31 -0.06 3.66 0.00 0.37 -1.44 120.51 130.18 1tt6 n ALA 19 Ca -0.15 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 52.96 1tt6 n ALA 19 Cb 0.48 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.36 1tt6 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tt6 n VAL 20 N -1.44 1.64 0.80 0.00 0.31 -1.26 -4.40 118.33 113.97 1tt6 n VAL 20 Ca 0.09 -0.41 0.11 0.00 -0.01 0.00 0.00 64.34 64.11 1tt6 n VAL 20 Cb 0.30 -1.81 0.02 0.00 -0.91 0.00 0.00 33.84 31.44 1tt6 n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1tt6 n ARG 21 N -3.84 0.14 -2.99 5.55 1.74 -1.25 -4.99 116.66 111.02 1tt6 n ARG 21 Ca -0.36 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 56.58 1tt6 n ARG 21 Cb 0.91 -1.53 0.06 0.00 -1.02 0.00 0.00 32.46 30.87 1tt6 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tt6 n GLY 22 N 1.44 -0.24 3.45 -0.13 0.00 -0.52 -5.03 105.19 104.16 1tt6 n GLY 22 Ca 0.03 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 1tt6 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tt6 s SER 23 N -3.84 -0.11 0.63 1.61 1.04 -1.04 -5.00 113.70 106.99 1tt6 s SER 23 Ca 0.07 -0.70 -0.18 0.00 0.48 0.00 0.00 55.95 55.62 1tt6 s SER 23 Cb -0.01 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 1tt6 s SER 23 CO 0.53 -0.99 1.26 -0.81 0.98 0.00 0.00 173.24 174.21 1tt6 n PRO 24 N -0.29 1.16 -3.01 4.02 -0.04 -1.26 0.14 135.00 135.71 1tt6 n PRO 24 Ca -0.08 0.45 -0.43 0.00 -0.04 0.00 0.00 63.50 63.40 1tt6 n PRO 24 Cb 0.63 -2.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.54 1tt6 n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tt6 s ALA 25 N -1.39 3.28 0.06 0.55 0.00 -0.34 -4.55 121.76 119.38 1tt6 s ALA 25 Ca 0.81 -1.54 -0.10 0.00 0.00 0.00 0.00 51.96 51.13 1tt6 s ALA 25 Cb -0.39 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.14 1tt6 s ALA 25 CO 0.42 -2.20 0.40 0.42 0.00 0.00 0.00 175.76 174.80 1tt6 s ILE 26 N 3.24 5.10 -1.32 0.00 1.01 -1.26 -4.30 121.20 123.67 1tt6 s ILE 26 Ca 0.22 0.49 -0.02 0.00 0.00 0.00 0.00 60.65 61.34 1tt6 s ILE 26 Cb -0.16 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1tt6 s ILE 26 CO 0.15 0.33 0.25 -3.20 0.00 0.00 0.00 174.94 172.47 1tt6 n ASN 27 N 1.04 -5.06 -4.72 3.58 5.15 -0.28 -4.94 115.26 110.04 1tt6 n ASN 27 Ca -0.09 -0.13 -0.39 0.00 -0.60 0.00 0.00 54.58 53.38 1tt6 n ASN 27 Cb 0.52 -4.03 -0.05 0.00 -0.53 0.00 0.00 39.78 35.69 1tt6 n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1tt6 s VAL 28 N -2.94 5.13 0.22 3.44 1.01 -1.26 -4.74 120.40 121.25 1tt6 s VAL 28 Ca 0.13 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.98 1tt6 s VAL 28 Cb -0.06 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 1tt6 s VAL 28 CO 0.16 0.29 1.08 0.00 0.00 0.00 0.00 175.10 176.63 1tt6 s ALA 29 N 0.70 3.38 -0.05 5.51 0.00 -1.26 -0.90 121.76 129.13 1tt6 s ALA 29 Ca 0.31 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1tt6 s ALA 29 Cb -0.16 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1tt6 s ALA 29 CO 0.14 -0.14 -0.03 0.08 0.00 0.00 0.00 175.76 175.81 1tt6 s VAL 30 N -0.69 0.50 -0.09 0.00 1.01 -0.18 -0.92 120.40 120.03 1tt6 s VAL 30 Ca 0.46 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.43 1tt6 s VAL 30 Cb -0.30 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 1tt6 s VAL 30 CO 0.37 0.24 -0.23 -1.00 0.00 0.00 0.00 175.10 174.48 1tt6 s HIS 31 N 1.24 2.56 -0.10 5.22 3.76 -0.11 -1.44 115.29 126.42 1tt6 s HIS 31 Ca -0.06 -0.86 0.01 0.00 -0.15 0.00 0.00 55.06 54.00 1tt6 s HIS 31 Cb -0.14 -1.69 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 1tt6 s HIS 31 CO -0.02 -0.30 -0.11 0.08 -0.85 0.00 0.00 174.74 173.54 1tt6 s VAL 32 N 0.13 3.27 0.15 -0.90 1.01 0.16 0.31 120.40 124.54 1tt6 s VAL 32 Ca -0.12 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.35 1tt6 s VAL 32 Cb -0.16 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1tt6 s VAL 32 CO 0.06 0.55 -0.21 -0.36 0.00 0.00 0.00 175.10 175.15 1tt6 s PHE 33 N -0.17 1.97 -0.07 5.22 0.08 0.68 -0.37 117.98 125.33 1tt6 s PHE 33 Ca 0.00 -0.42 0.04 0.00 0.12 0.00 0.00 56.93 56.68 1tt6 s PHE 33 Cb -0.13 -1.01 -0.02 0.00 -0.57 0.00 0.00 43.02 41.29 1tt6 s PHE 33 CO 0.03 0.34 -0.20 0.50 -0.10 0.00 0.00 175.22 175.79 1tt6 s ARG 34 N -2.49 2.66 0.14 0.44 3.52 0.08 -0.98 118.95 122.32 1tt6 s ARG 34 Ca 0.14 -0.81 -0.31 0.00 -0.13 0.00 0.00 55.73 54.63 1tt6 s ARG 34 Cb -0.08 -2.30 -0.08 0.00 -1.56 0.00 0.00 34.95 30.93 1tt6 s ARG 34 CO 0.07 0.43 1.37 0.21 -0.81 0.00 0.00 175.30 176.57 1tt6 s LYS 35 N -0.27 4.34 0.50 5.12 2.20 0.54 -1.50 119.74 130.67 1tt6 s LYS 35 Ca 0.00 2.07 0.03 0.00 -0.36 0.00 0.00 55.97 57.71 1tt6 s LYS 35 Cb -0.13 -3.23 0.02 0.00 -1.51 0.00 0.00 37.83 32.98 1tt6 s LYS 35 CO 0.03 -0.38 0.70 0.00 -0.36 0.00 0.00 175.35 175.34 1tt6 s ALA 36 N 0.79 4.03 0.47 3.13 0.00 0.42 -4.75 121.76 125.85 1tt6 s ALA 36 Ca 0.62 -1.37 0.15 0.00 0.00 0.00 0.00 51.96 51.36 1tt6 s ALA 36 Cb -0.37 -1.97 1.13 0.00 0.00 0.00 0.00 23.12 21.91 1tt6 s ALA 36 CO 0.33 -0.57 2.04 0.00 0.00 0.00 0.00 175.76 177.56 1tt6 h ALA 37 N 0.27 2.04 -0.16 0.00 0.00 -1.95 0.15 119.26 119.61 1tt6 h ALA 37 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1tt6 h ALA 37 Cb 1.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1tt6 h ALA 37 CO 0.51 -0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.24 1tt6 n ASP 38 N -4.47 1.81 0.00 0.00 5.68 -1.26 -4.86 116.55 113.45 1tt6 n ASP 38 Ca 0.05 -2.16 0.00 0.00 -0.50 0.00 0.00 54.79 52.18 1tt6 n ASP 38 Cb 0.28 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 1tt6 n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1tt6 n ASP 39 N 0.12 -3.66 -4.91 -1.12 8.00 0.52 -5.00 116.55 110.49 1tt6 n ASP 39 Ca 0.07 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.30 1tt6 n ASP 39 Cb 0.38 -1.88 0.00 0.00 -0.02 0.00 0.00 41.12 39.60 1tt6 n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1tt6 s THR 40 N -1.68 4.81 -0.30 -3.53 -4.23 -1.25 -4.76 115.64 104.70 1tt6 s THR 40 Ca 0.00 0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.49 1tt6 s THR 40 Cb 0.00 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 1tt6 s THR 40 CO 0.00 -0.79 0.31 0.26 -0.54 0.00 0.00 174.62 173.86 1tt6 s TRP 41 N -2.72 3.23 -0.19 3.99 0.52 -1.26 -0.43 118.94 122.07 1tt6 s TRP 41 Ca 0.47 0.14 -0.09 0.00 0.02 0.00 0.00 56.10 56.64 1tt6 s TRP 41 Cb -0.10 -2.54 -0.05 0.00 -1.15 0.00 0.00 33.47 29.63 1tt6 s TRP 41 CO 0.44 -0.29 0.12 -1.21 0.02 0.00 0.00 176.95 176.03 1tt6 s GLU 42 N 1.94 4.09 0.24 4.98 0.41 -0.56 -4.90 118.70 124.91 1tt6 s GLU 42 Ca 0.11 -0.24 -0.29 0.00 -0.41 0.00 0.00 54.97 54.14 1tt6 s GLU 42 Cb -0.16 -3.36 -0.15 0.00 -1.78 0.00 0.00 34.13 28.68 1tt6 s GLU 42 CO 0.11 0.33 1.00 -2.30 -0.49 0.00 0.00 175.26 173.91 1tt6 n PRO 43 N 3.40 1.14 0.00 0.39 -0.02 -1.26 -0.74 135.00 137.91 1tt6 n PRO 43 Ca -0.16 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1tt6 n PRO 43 Cb 0.52 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1tt6 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1tt6 n PHE 44 N 0.58 0.00 -3.52 6.00 7.35 0.50 -4.72 117.46 123.65 1tt6 n PHE 44 Ca 0.12 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.72 1tt6 n PHE 44 Cb 0.29 0.04 -0.03 0.00 0.35 0.00 0.00 39.48 40.14 1tt6 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tt6 s ALA 45 N -1.68 -1.85 0.25 3.13 0.00 -0.88 -5.01 121.76 115.73 1tt6 s ALA 45 Ca 0.00 1.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.87 1tt6 s ALA 45 Cb 0.00 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.36 1tt6 s ALA 45 CO 0.00 -0.61 0.77 -1.54 0.00 0.00 0.00 175.76 174.38 1tt6 s SER 46 N -2.21 -0.25 0.00 0.00 1.04 -1.26 0.36 113.70 111.38 1tt6 s SER 46 Ca 0.03 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1tt6 s SER 46 Cb -0.01 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1tt6 s SER 46 CO -0.07 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.52 1tt6 n GLY 47 N -0.46 -1.26 3.12 7.32 0.00 -0.52 -4.95 105.19 108.44 1tt6 n GLY 47 Ca -0.05 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 1tt6 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tt6 s LYS 48 N -0.30 1.22 0.55 1.61 1.02 -1.26 -1.02 119.74 121.56 1tt6 s LYS 48 Ca 0.00 -0.54 -0.21 0.00 0.02 0.00 0.00 55.97 55.24 1tt6 s LYS 48 Cb 0.00 -1.18 -0.05 0.00 -0.52 0.00 0.00 37.83 36.08 1tt6 s LYS 48 CO 0.00 0.32 1.33 0.95 -0.92 0.00 0.00 175.35 177.04 1tt6 s THR 49 N -0.35 2.17 0.51 2.17 -4.23 -0.08 -4.77 115.64 111.06 1tt6 s THR 49 Ca 0.06 0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 60.60 1tt6 s THR 49 Cb -0.06 -3.06 0.12 0.00 1.34 0.00 0.00 72.50 70.84 1tt6 s THR 49 CO -0.01 -0.00 0.68 -1.54 -0.54 0.00 0.00 174.62 173.21 1tt6 n SER 50 N -1.09 -0.04 0.29 3.99 3.41 0.87 -1.12 113.62 119.94 1tt6 n SER 50 Ca 0.11 -1.23 0.19 0.00 -0.26 0.00 0.00 58.87 57.68 1tt6 n SER 50 Cb 0.46 -0.53 0.99 0.00 -0.26 0.00 0.00 64.21 64.87 1tt6 n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1tt6 h GLU 51 N 0.00 0.00 -0.28 4.33 3.07 -1.94 -0.13 114.58 119.63 1tt6 h GLU 51 Ca -0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1tt6 h GLU 51 Cb 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1tt6 h GLU 51 CO 0.16 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.64 1tt6 n SER 52 N -2.90 2.53 -0.10 1.42 3.41 -1.26 -4.79 113.62 111.94 1tt6 n SER 52 Ca -0.02 -1.86 -0.01 0.00 -0.26 0.00 0.00 58.87 56.72 1tt6 n SER 52 Cb 0.11 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 1tt6 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tt6 n GLY 53 N 1.31 0.50 3.65 5.00 0.00 -0.06 -4.79 105.19 110.80 1tt6 n GLY 53 Ca 0.17 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1tt6 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tt6 s GLU 54 N -1.04 2.41 -0.22 1.61 2.02 -1.26 -0.75 118.70 121.48 1tt6 s GLU 54 Ca 0.00 -0.91 -0.01 0.00 0.02 0.00 0.00 54.97 54.07 1tt6 s GLU 54 Cb 0.00 -2.46 0.06 0.00 0.10 0.00 0.00 34.13 31.83 1tt6 s GLU 54 CO 0.00 0.52 -0.01 -1.17 0.02 0.00 0.00 175.26 174.63 1tt6 s LEU 55 N -2.33 1.90 0.43 1.80 2.96 0.00 -0.09 118.68 123.35 1tt6 s LEU 55 Ca 0.25 -1.01 0.07 0.00 -0.22 0.00 0.00 54.13 53.22 1tt6 s LEU 55 Cb -0.11 -0.89 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 1tt6 s LEU 55 CO 0.17 -0.27 0.33 -1.00 -1.32 0.00 0.00 176.35 174.26 1tt6 s HIS 56 N 1.62 2.54 -0.60 5.38 3.76 -1.26 -2.49 115.29 124.24 1tt6 s HIS 56 Ca -0.03 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 1tt6 s HIS 56 Cb -0.18 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.43 1tt6 s HIS 56 CO -0.07 -0.08 0.00 0.41 -0.85 0.00 0.00 174.74 174.14 1tt6 n GLY 57 N -1.49 0.81 0.30 -2.22 0.00 -1.26 -4.91 105.19 96.41 1tt6 n GLY 57 Ca 0.02 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.36 1tt6 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tt6 h LEU 58 N 0.00 0.97 -8.24 0.99 3.38 -1.85 -3.47 115.31 107.09 1tt6 h LEU 58 Ca -0.12 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.52 1tt6 h LEU 58 Cb 0.43 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1tt6 h LEU 58 CO 0.17 0.92 0.05 0.28 0.09 0.00 0.00 178.44 179.95 1tt6 s THR 59 N -5.41 0.00 0.33 0.22 -1.32 -1.26 -4.75 115.64 103.45 1tt6 s THR 59 Ca -0.12 -1.28 0.10 0.00 -1.21 0.00 0.00 61.69 59.17 1tt6 s THR 59 Cb 0.14 -2.69 -0.06 0.00 -1.51 0.00 0.00 72.50 68.38 1tt6 s THR 59 CO 0.82 0.00 -0.08 0.42 -2.21 0.00 0.00 174.62 173.57 1tt6 s THR 60 N -2.81 2.42 0.26 5.08 -4.23 -1.26 -4.51 115.64 110.59 1tt6 s THR 60 Ca 0.22 -2.17 -0.01 0.00 -1.18 0.00 0.00 61.69 58.54 1tt6 s THR 60 Cb -0.03 -2.63 0.24 0.00 1.34 0.00 0.00 72.50 71.42 1tt6 s THR 60 CO 0.15 -0.24 1.79 -0.33 -0.54 0.00 0.00 174.62 175.44 1tt6 h GLU 61 N 2.01 0.71 -0.71 3.99 3.07 -1.97 -0.81 114.58 120.86 1tt6 h GLU 61 Ca -0.42 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.34 1tt6 h GLU 61 Cb 1.25 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.97 1tt6 h GLU 61 CO 0.67 0.47 0.21 0.93 -1.40 0.00 0.00 179.01 179.89 1tt6 h GLU 62 N 0.73 1.11 0.00 2.33 3.07 -2.04 -2.92 114.58 116.85 1tt6 h GLU 62 Ca 0.46 -0.25 -0.17 0.00 -0.50 0.00 0.00 59.36 58.90 1tt6 h GLU 62 Cb 0.56 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1tt6 h GLU 62 CO -0.32 0.96 -0.83 1.49 -1.40 0.00 0.00 179.01 178.92 1tt6 h GLU 63 N 1.05 0.00 -3.63 2.33 4.81 -1.83 -3.41 114.58 113.90 1tt6 h GLU 63 Ca 0.23 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.72 1tt6 h GLU 63 Cb 0.32 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.60 1tt6 h GLU 63 CO -0.01 0.83 2.52 0.34 -0.73 0.00 0.00 179.01 181.96 1tt6 n PHE 64 N -3.33 3.12 -1.88 0.92 7.35 -0.36 -4.97 117.46 118.31 1tt6 n PHE 64 Ca 0.01 -2.87 -0.30 0.00 -0.76 0.00 0.00 57.45 53.53 1tt6 n PHE 64 Cb 0.86 -2.19 0.05 0.00 0.35 0.00 0.00 39.48 38.55 1tt6 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1tt6 s VAL 65 N 1.44 3.25 0.58 -2.13 -7.23 -1.26 -4.96 120.40 110.09 1tt6 s VAL 65 Ca 0.44 0.41 -0.19 0.00 -1.81 0.00 0.00 61.98 60.82 1tt6 s VAL 65 Cb 0.12 -3.40 -0.05 0.00 0.56 0.00 0.00 36.38 33.61 1tt6 s VAL 65 CO -0.04 -0.53 1.01 -0.62 -0.31 0.00 0.00 175.10 174.61 1tt6 n GLU 66 N -3.06 1.00 0.00 4.82 1.02 -1.26 -4.87 120.64 118.29 1tt6 n GLU 66 Ca 0.07 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1tt6 n GLU 66 Cb 0.58 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 1tt6 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tt6 n GLY 67 N 1.23 -0.58 3.72 0.62 0.00 -1.16 -4.96 105.19 104.06 1tt6 n GLY 67 Ca 0.13 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.40 1tt6 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tt6 s ILE 68 N -1.88 5.38 0.08 -0.61 1.01 -1.26 -0.69 121.20 123.23 1tt6 s ILE 68 Ca 0.00 0.28 0.10 0.00 0.00 0.00 0.00 60.65 61.03 1tt6 s ILE 68 Cb 0.00 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1tt6 s ILE 68 CO 0.00 0.42 -0.25 -0.31 0.00 0.00 0.00 174.94 174.79 1tt6 s TYR 69 N 0.45 2.21 -0.13 3.97 1.51 0.26 -0.34 117.35 125.27 1tt6 s TYR 69 Ca 0.10 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 1tt6 s TYR 69 Cb -0.12 -1.26 0.01 0.00 -0.11 0.00 0.00 41.96 40.49 1tt6 s TYR 69 CO -0.00 0.21 -0.18 0.21 -1.11 0.00 0.00 175.55 174.68 1tt6 s LYS 70 N -1.61 2.54 -0.27 -0.62 2.20 -0.15 -1.21 119.74 120.62 1tt6 s LYS 70 Ca 0.12 -0.68 -0.07 0.00 -0.36 0.00 0.00 55.97 54.98 1tt6 s LYS 70 Cb -0.10 -2.13 -0.01 0.00 -1.51 0.00 0.00 37.83 34.08 1tt6 s LYS 70 CO 0.04 -0.07 0.08 0.08 -0.36 0.00 0.00 175.35 175.12 1tt6 s VAL 71 N 0.99 4.21 -0.21 4.02 1.01 0.61 -0.23 120.40 130.80 1tt6 s VAL 71 Ca -0.05 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1tt6 s VAL 71 Cb -0.15 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1tt6 s VAL 71 CO -0.03 0.24 0.01 -1.61 0.00 0.00 0.00 175.10 173.70 1tt6 s GLU 72 N 1.58 3.58 -0.24 2.72 2.02 0.15 -0.75 118.70 127.76 1tt6 s GLU 72 Ca 0.05 -0.53 -0.07 0.00 0.02 0.00 0.00 54.97 54.44 1tt6 s GLU 72 Cb -0.16 -3.11 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 1tt6 s GLU 72 CO 0.03 -0.06 0.06 0.42 0.02 0.00 0.00 175.26 175.73 1tt6 s ILE 73 N 1.21 4.26 -1.36 -1.63 1.01 0.12 -0.93 121.20 123.88 1tt6 s ILE 73 Ca 0.03 -0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.33 1tt6 s ILE 73 Cb -0.15 -2.98 0.07 0.00 0.01 0.00 0.00 42.46 39.41 1tt6 s ILE 73 CO 0.01 0.36 1.92 -0.67 0.00 0.00 0.00 174.94 176.56 1tt6 n ASP 74 N 4.75 4.55 -0.01 3.58 2.03 -0.10 -0.83 116.55 130.51 1tt6 n ASP 74 Ca -0.16 -2.90 -0.05 0.00 0.52 0.00 0.00 54.79 52.19 1tt6 n ASP 74 Cb 0.51 -1.69 0.15 0.00 -0.72 0.00 0.00 41.12 39.38 1tt6 n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1tt6 h THR 75 N 4.82 1.28 -0.22 5.18 1.35 -1.87 -3.10 112.91 120.34 1tt6 h THR 75 Ca 0.49 -1.36 0.03 0.00 -0.55 0.00 0.00 66.41 65.02 1tt6 h THR 75 Cb 0.77 1.37 -0.03 0.00 -1.73 0.00 0.00 68.15 68.53 1tt6 h THR 75 CO 1.62 0.44 0.02 0.50 -0.25 0.00 0.00 175.52 177.85 1tt6 h LYS 76 N 0.49 0.10 -0.51 4.72 3.64 -1.69 -1.42 116.57 121.90 1tt6 h LYS 76 Ca 0.06 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1tt6 h LYS 76 Cb 0.74 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.51 1tt6 h LYS 76 CO 0.06 0.07 0.25 0.77 -2.27 0.00 0.00 179.45 178.32 1tt6 h SER 77 N 0.10 0.64 0.07 4.20 0.02 -1.84 -0.98 113.55 115.77 1tt6 h SER 77 Ca 0.10 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1tt6 h SER 77 Cb 0.11 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1tt6 h SER 77 CO -0.15 0.54 -0.04 0.22 -1.14 0.00 0.00 176.83 176.27 1tt6 h TYR 78 N 0.72 -0.09 -0.70 3.45 3.20 -1.27 -1.05 116.97 121.21 1tt6 h TYR 78 Ca 0.18 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1tt6 h TYR 78 Cb 0.07 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1tt6 h TYR 78 CO 0.01 0.06 0.24 -1.49 -1.64 0.00 0.00 178.16 175.34 1tt6 h TRP 79 N -0.22 1.09 -0.64 -3.82 -0.00 -1.08 -2.74 115.95 108.54 1tt6 h TRP 79 Ca -0.01 -0.09 0.01 0.00 -0.00 0.00 0.00 58.89 58.80 1tt6 h TRP 79 Cb 0.19 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.16 28.99 1tt6 h TRP 79 CO -0.03 0.85 0.42 0.87 -0.00 0.00 0.00 178.44 180.55 1tt6 h LYS 80 N 1.03 0.84 0.00 0.49 1.57 -0.95 -0.77 116.57 118.78 1tt6 h LYS 80 Ca 0.23 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1tt6 h LYS 80 Cb 0.25 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1tt6 h LYS 80 CO -0.01 0.56 0.00 0.00 -0.57 0.00 0.00 179.45 179.42 1tt6 h ALA 81 N 1.23 1.00 -0.02 3.86 0.00 -0.89 -1.25 119.26 123.20 1tt6 h ALA 81 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1tt6 h ALA 81 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1tt6 h ALA 81 CO -0.05 0.00 -0.40 1.28 0.00 0.00 0.00 179.25 180.08 1tt6 n LEU 82 N -2.72 2.00 -0.33 0.00 4.77 -0.41 -4.96 117.00 115.35 1tt6 n LEU 82 Ca -0.01 -0.72 -0.04 0.00 -0.03 0.00 0.00 56.01 55.21 1tt6 n LEU 82 Cb 0.12 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1tt6 n LEU 82 CO 0.18 0.37 -0.04 0.61 -1.33 0.00 0.00 177.39 177.18 1tt6 n GLY 83 N 1.40 0.67 3.52 -0.72 0.00 -0.47 -5.03 105.19 104.56 1tt6 n GLY 83 Ca 0.10 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 1tt6 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tt6 s ILE 84 N -2.16 3.72 -0.26 -0.61 1.01 -0.52 -5.02 121.20 117.35 1tt6 s ILE 84 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 59.91 1tt6 s ILE 84 Cb 0.00 -2.57 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 1tt6 s ILE 84 CO 0.00 0.55 1.27 -0.55 0.00 0.00 0.00 174.94 176.21 1tt6 s SER 85 N -0.18 6.77 0.26 3.58 0.15 -1.26 -3.91 113.70 119.11 1tt6 s SER 85 Ca 0.02 1.34 0.05 0.00 0.70 0.00 0.00 55.95 58.06 1tt6 s SER 85 Cb -0.13 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1tt6 s SER 85 CO 0.03 -0.97 0.38 -2.16 1.20 0.00 0.00 173.24 171.71 1tt6 s PRO 86 N 3.93 3.41 -0.24 5.44 0.04 -1.26 -4.84 135.00 141.47 1tt6 s PRO 86 Ca 0.55 -0.77 -0.18 0.00 0.04 0.00 0.00 61.00 60.64 1tt6 s PRO 86 Cb -0.18 -2.87 -0.16 0.00 0.04 0.00 0.00 34.50 31.33 1tt6 s PRO 86 CO 0.20 0.38 -0.07 0.34 0.04 0.00 0.00 177.00 177.88 1tt6 n PHE 87 N -1.45 0.51 -2.87 0.56 7.35 -0.29 -5.00 117.46 116.27 1tt6 n PHE 87 Ca -0.08 0.22 -0.33 0.00 -0.76 0.00 0.00 57.45 56.51 1tt6 n PHE 87 Cb 0.57 -1.05 -0.06 0.00 0.35 0.00 0.00 39.48 39.29 1tt6 n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1tt6 s HIS 88 N -2.44 3.35 0.10 -5.13 3.76 -1.26 -4.98 115.29 108.70 1tt6 s HIS 88 Ca -0.34 1.45 -0.14 0.00 -0.15 0.00 0.00 55.06 55.87 1tt6 s HIS 88 Cb 0.10 -2.73 -0.10 0.00 1.11 0.00 0.00 32.58 30.97 1tt6 s HIS 88 CO 0.54 -0.08 1.39 0.93 -0.85 0.00 0.00 174.74 176.68 1tt6 h GLU 89 N 1.87 0.72 -2.77 1.40 4.39 -1.97 -3.35 114.58 114.87 1tt6 h GLU 89 Ca -0.48 -0.42 0.08 0.00 0.34 0.00 0.00 59.36 58.88 1tt6 h GLU 89 Cb 1.18 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.83 1tt6 h GLU 89 CO 0.63 1.04 0.36 -3.38 -1.16 0.00 0.00 179.01 176.50 1tt6 s HIS 90 N -4.22 -0.03 -0.09 4.33 -3.43 -1.26 -3.22 115.29 107.37 1tt6 s HIS 90 Ca -0.12 -0.45 -0.01 0.00 -0.80 0.00 0.00 55.06 53.67 1tt6 s HIS 90 Cb 0.09 0.73 -0.03 0.00 -1.43 0.00 0.00 32.58 31.94 1tt6 s HIS 90 CO 0.84 -1.20 -0.03 0.00 -2.00 0.00 0.00 174.74 172.35 1tt6 s ALA 91 N -2.96 3.13 -0.04 -1.38 0.00 -0.01 -4.87 121.76 115.62 1tt6 s ALA 91 Ca 0.15 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.32 1tt6 s ALA 91 Cb -0.04 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.66 1tt6 s ALA 91 CO 0.07 0.51 -0.20 -1.21 0.00 0.00 0.00 175.76 174.93 1tt6 s GLU 92 N -0.61 1.95 -0.16 0.00 2.02 -1.26 0.11 118.70 120.75 1tt6 s GLU 92 Ca 0.10 -0.70 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 1tt6 s GLU 92 Cb -0.12 -1.71 0.04 0.00 0.10 0.00 0.00 34.13 32.45 1tt6 s GLU 92 CO 0.02 0.31 -0.05 0.08 0.02 0.00 0.00 175.26 175.64 1tt6 s VAL 93 N -0.10 1.07 -0.14 2.63 1.01 0.07 -4.98 120.40 119.97 1tt6 s VAL 93 Ca -0.02 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1tt6 s VAL 93 Cb -0.11 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 1tt6 s VAL 93 CO 0.02 0.13 -0.19 -0.69 0.00 0.00 0.00 175.10 174.37 1tt6 s VAL 94 N 1.65 2.43 0.08 2.92 1.01 -1.26 -0.29 120.40 126.94 1tt6 s VAL 94 Ca 0.01 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1tt6 s VAL 94 Cb -0.15 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.27 1tt6 s VAL 94 CO -0.08 0.53 0.43 0.72 0.00 0.00 0.00 175.10 176.71 1tt6 s PHE 95 N 0.65 -0.27 -0.06 5.22 -0.71 -0.35 -4.99 117.98 117.46 1tt6 s PHE 95 Ca -0.09 0.14 -0.16 0.00 -1.04 0.00 0.00 56.93 55.78 1tt6 s PHE 95 Cb -0.16 0.26 -0.05 0.00 -1.21 0.00 0.00 43.02 41.86 1tt6 s PHE 95 CO 0.02 -0.63 0.44 0.99 -1.34 0.00 0.00 175.22 174.70 1tt6 s THR 96 N -2.96 5.11 -0.14 -4.49 2.01 -1.26 -0.57 115.64 113.32 1tt6 s THR 96 Ca -0.02 0.89 -0.17 0.00 0.31 0.00 0.00 61.69 62.69 1tt6 s THR 96 Cb 0.00 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1tt6 s THR 96 CO -0.06 0.45 0.44 0.00 -0.69 0.00 0.00 174.62 174.76 1tt6 s ALA 97 N -0.17 3.51 -0.05 7.40 0.00 0.14 -4.97 121.76 127.61 1tt6 s ALA 97 Ca 0.24 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1tt6 s ALA 97 Cb -0.16 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.35 1tt6 s ALA 97 CO 0.11 -0.06 -0.13 -0.80 0.00 0.00 0.00 175.76 174.89 1tt6 s ASN 98 N 0.69 1.80 -1.13 0.00 -0.87 -1.26 -3.00 114.94 111.18 1tt6 s ASN 98 Ca 0.23 -0.30 -0.19 0.00 -1.57 0.00 0.00 52.86 51.03 1tt6 s ASN 98 Cb -0.15 -0.68 0.09 0.00 -0.02 0.00 0.00 41.25 40.49 1tt6 s ASN 98 CO 0.09 0.08 1.50 -1.81 -2.57 0.00 0.00 177.10 174.38 1tt6 s ASP 99 N 0.39 6.71 -0.77 -1.22 1.01 -1.26 -4.89 116.67 116.65 1tt6 s ASP 99 Ca -0.10 -2.09 0.02 0.00 0.71 0.00 0.00 52.55 51.09 1tt6 s ASP 99 Cb -0.13 -2.53 0.19 0.00 1.01 0.00 0.00 42.92 41.46 1tt6 s ASP 99 CO 0.03 -1.22 0.59 -0.94 0.21 0.00 0.00 175.17 173.83 1tt6 s SER 100 N 4.23 5.27 0.71 0.27 1.04 -1.26 -5.03 113.70 118.94 1tt6 s SER 100 Ca 0.46 -3.73 0.00 0.00 0.48 0.00 0.00 55.95 53.17 1tt6 s SER 100 Cb 0.00 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.37 1tt6 s SER 100 CO -0.02 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1tt6 n GLY 101 N 2.22 -1.29 3.70 7.32 0.00 -1.26 -4.71 105.19 111.18 1tt6 n GLY 101 Ca 0.19 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1tt6 n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tt6 s PRO 102 N -0.24 4.30 -0.07 1.61 0.02 -1.26 -5.01 135.00 134.35 1tt6 s PRO 102 Ca 0.00 2.07 -0.03 0.00 0.02 0.00 0.00 61.00 63.06 1tt6 s PRO 102 Cb 0.00 -3.38 0.04 0.00 0.02 0.00 0.00 34.50 31.18 1tt6 s PRO 102 CO 0.00 -0.51 0.15 1.03 -0.33 0.00 0.00 177.00 177.34 1tt6 s ARG 103 N 1.64 0.10 -0.11 5.54 3.00 -1.26 -4.03 118.95 123.83 1tt6 s ARG 103 Ca 0.65 0.38 -0.02 0.00 0.00 0.00 0.00 55.73 56.75 1tt6 s ARG 103 Cb -0.36 -0.18 -0.03 0.00 0.00 0.00 0.00 34.95 34.39 1tt6 s ARG 103 CO 0.29 -0.17 -0.05 -0.98 0.00 0.00 0.00 175.30 174.40 1tt6 s ARG 104 N 1.19 3.23 -0.21 3.54 1.70 0.40 -4.82 118.95 123.97 1tt6 s ARG 104 Ca -0.09 -0.52 -0.07 0.00 -0.47 0.00 0.00 55.73 54.58 1tt6 s ARG 104 Cb -0.12 -2.77 -0.03 0.00 -0.57 0.00 0.00 34.95 31.46 1tt6 s ARG 104 CO -0.06 0.46 0.05 0.71 -1.08 0.00 0.00 175.30 175.38 1tt6 s TYR 105 N -0.24 3.12 -0.19 5.89 1.51 0.75 -1.95 117.35 126.24 1tt6 s TYR 105 Ca 0.04 -0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 55.83 1tt6 s TYR 105 Cb -0.13 -2.15 -0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1tt6 s TYR 105 CO 0.02 -0.15 -0.09 0.99 -1.11 0.00 0.00 175.55 175.21 1tt6 s THR 106 N 1.04 3.05 -0.33 -0.71 2.01 0.33 -1.11 115.64 119.92 1tt6 s THR 106 Ca 0.04 -0.62 -0.11 0.00 0.31 0.00 0.00 61.69 61.31 1tt6 s THR 106 Cb -0.14 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 1tt6 s THR 106 CO 0.03 0.47 0.20 -0.63 -0.69 0.00 0.00 174.62 174.00 1tt6 s ILE 107 N 1.16 4.89 -0.07 1.82 -1.09 0.42 -0.87 121.20 127.45 1tt6 s ILE 107 Ca 0.01 -0.40 0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1tt6 s ILE 107 Cb -0.14 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 1tt6 s ILE 107 CO -0.03 -0.02 -0.07 0.00 -1.23 0.00 0.00 174.94 173.60 1tt6 s ALA 108 N 1.65 2.98 -0.02 9.38 0.00 -0.56 -0.69 121.76 134.51 1tt6 s ALA 108 Ca 0.05 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1tt6 s ALA 108 Cb -0.18 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.71 1tt6 s ALA 108 CO 0.08 0.56 -0.03 0.00 0.00 0.00 0.00 175.76 176.37 1tt6 s ALA 109 N -0.75 0.35 -0.17 0.00 0.00 0.03 -1.32 121.76 119.89 1tt6 s ALA 109 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.02 1tt6 s ALA 109 Cb -0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1tt6 s ALA 109 CO 0.02 0.02 -0.10 -1.17 0.00 0.00 0.00 175.76 174.53 1tt6 s LEU 110 N 0.37 2.75 -0.13 0.00 2.96 0.60 -1.29 118.68 123.95 1tt6 s LEU 110 Ca -0.04 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1tt6 s LEU 110 Cb -0.07 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1tt6 s LEU 110 CO -0.01 0.07 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.30 1tt6 s LEU 111 N 0.91 3.28 0.18 -0.68 1.43 -0.16 -1.56 118.68 122.08 1tt6 s LEU 111 Ca -0.02 -0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.07 1tt6 s LEU 111 Cb -0.15 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1tt6 s LEU 111 CO -0.00 0.24 -0.10 -0.44 0.23 0.00 0.00 176.35 176.28 1tt6 s SER 112 N -0.07 2.06 0.28 2.29 0.01 -0.28 -0.48 113.70 117.50 1tt6 s SER 112 Ca 0.02 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.22 1tt6 s SER 112 Cb -0.13 -0.05 0.52 0.00 0.21 0.00 0.00 66.02 66.57 1tt6 s SER 112 CO 0.03 -0.32 1.84 -0.65 0.41 0.00 0.00 173.24 174.54 1tt6 h PRO 113 N 2.65 0.96 -0.18 12.44 0.11 -1.99 -2.94 132.00 143.04 1tt6 h PRO 113 Ca -0.37 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1tt6 h PRO 113 Cb 1.21 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1tt6 h PRO 113 CO 0.63 0.64 0.00 0.66 -0.21 0.00 0.00 178.00 179.72 1tt6 n TYR 114 N -4.62 0.39 -3.70 0.65 4.02 -1.26 -1.14 117.16 111.49 1tt6 n TYR 114 Ca 0.18 -0.68 -0.14 0.00 -0.01 0.00 0.00 57.90 57.25 1tt6 n TYR 114 Cb 0.33 -0.12 -0.08 0.00 -0.02 0.00 0.00 39.34 39.45 1tt6 n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1tt6 s SER 115 N -1.55 -0.29 0.04 7.72 1.04 -1.11 -4.98 113.70 114.57 1tt6 s SER 115 Ca 0.24 0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.81 1tt6 s SER 115 Cb 0.17 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1tt6 s SER 115 CO 0.08 -0.50 0.12 -0.72 0.98 0.00 0.00 173.24 173.20 1tt6 s TYR 116 N -1.41 0.17 -0.02 5.02 -0.85 -1.26 -1.13 117.35 117.88 1tt6 s TYR 116 Ca -0.12 -0.48 0.03 0.00 -0.52 0.00 0.00 57.07 55.98 1tt6 s TYR 116 Cb -0.04 -0.12 -0.00 0.00 0.38 0.00 0.00 41.96 42.18 1tt6 s TYR 116 CO 0.05 -0.39 -0.11 0.45 -1.52 0.00 0.00 175.55 174.03 1tt6 s SER 117 N -2.20 1.31 0.02 -0.18 0.15 -0.60 -4.98 113.70 107.21 1tt6 s SER 117 Ca -0.04 -0.20 0.01 0.00 0.70 0.00 0.00 55.95 56.42 1tt6 s SER 117 Cb -0.00 -0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 64.05 1tt6 s SER 117 CO -0.05 0.11 -0.05 0.28 1.20 0.00 0.00 173.24 174.73 1tt6 s THR 118 N -0.05 0.32 0.09 6.45 -1.32 -1.26 -0.29 115.64 119.57 1tt6 s THR 118 Ca 0.01 -0.60 0.02 0.00 -1.21 0.00 0.00 61.69 59.91 1tt6 s THR 118 Cb -0.06 -0.36 -0.04 0.00 -1.51 0.00 0.00 72.50 70.53 1tt6 s THR 118 CO 0.00 -0.19 -0.06 0.28 -2.21 0.00 0.00 174.62 172.44 1tt6 s THR 119 N -0.77 0.64 -0.06 5.08 -1.32 -0.43 -5.00 115.64 113.77 1tt6 s THR 119 Ca -0.06 -1.84 0.03 0.00 -1.21 0.00 0.00 61.69 58.62 1tt6 s THR 119 Cb -0.06 -1.56 -0.02 0.00 -1.51 0.00 0.00 72.50 69.35 1tt6 s THR 119 CO -0.00 -0.84 -0.16 0.00 -2.21 0.00 0.00 174.62 171.42 1tt6 s ALA 120 N -3.43 2.58 -0.20 11.08 0.00 -1.26 -1.49 121.76 129.05 1tt6 s ALA 120 Ca 0.09 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 1tt6 s ALA 120 Cb 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.20 1tt6 s ALA 120 CO -0.05 0.49 -0.11 0.08 0.00 0.00 0.00 175.76 176.17 1tt6 s VAL 121 N -0.49 2.86 -0.27 0.00 1.01 -0.05 -4.97 120.40 118.49 1tt6 s VAL 121 Ca 0.06 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1tt6 s VAL 121 Cb -0.12 -2.26 0.06 0.00 0.00 0.00 0.00 36.38 34.07 1tt6 s VAL 121 CO 0.02 0.48 -0.09 -0.69 0.00 0.00 0.00 175.10 174.81 1tt6 s VAL 122 N 1.29 2.21 0.28 2.92 1.01 -1.26 -0.52 120.40 126.34 1tt6 s VAL 122 Ca 0.04 -1.69 0.09 0.00 0.00 0.00 0.00 61.98 60.41 1tt6 s VAL 122 Cb -0.14 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 1tt6 s VAL 122 CO -0.06 -0.08 -0.11 0.42 0.00 0.00 0.00 175.10 175.27 1tt6 s THR 123 N 1.09 1.98 -2.77 3.92 -4.23 -0.82 -4.92 115.64 109.88 1tt6 s THR 123 Ca -0.07 -2.22 0.22 0.00 -1.18 0.00 0.00 61.69 58.44 1tt6 s THR 123 Cb -0.20 -2.40 0.18 0.00 1.34 0.00 0.00 72.50 71.42 1tt6 s THR 123 CO -0.05 -0.35 1.20 -3.20 -0.54 0.00 0.00 174.62 171.68