#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uht s SER 2 N 0.00 -0.16 -0.26 1.61 1.04 -1.26 -5.13 113.70 109.54 1uht s SER 2 Ca 0.00 0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.67 1uht s SER 2 Cb 0.00 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.58 1uht s SER 2 CO 0.00 -0.19 0.05 -0.94 0.98 0.00 0.00 173.24 173.14 1uht s SER 3 N -0.40 3.66 -0.13 7.02 1.04 -1.26 -5.01 113.70 118.63 1uht s SER 3 Ca -0.05 -1.30 -0.08 0.00 0.48 0.00 0.00 55.95 55.00 1uht s SER 3 Cb -0.03 -0.86 -0.03 0.00 0.10 0.00 0.00 66.02 65.20 1uht s SER 3 CO 0.01 -0.34 -0.15 1.23 0.98 0.00 0.00 173.24 174.97 1uht h GLY 4 N 8.10 0.00 -3.50 7.32 0.00 -2.11 -3.51 103.07 109.37 1uht h GLY 4 Ca -0.15 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.42 1uht h GLY 4 CO 0.42 0.00 -1.14 1.44 0.00 0.00 0.00 176.54 177.26 1uht n SER 5 N -4.44 -7.61 -3.64 0.19 7.64 -1.26 -5.07 113.62 99.42 1uht n SER 5 Ca -0.06 1.51 -0.03 0.00 1.01 0.00 0.00 58.87 61.30 1uht n SER 5 Cb 0.22 -4.89 -0.01 0.00 -1.01 0.00 0.00 64.21 58.52 1uht n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1uht s SER 6 N -6.68 -0.18 -0.00 6.43 1.04 -1.26 -5.17 113.70 107.88 1uht s SER 6 Ca 0.00 -0.19 -0.00 0.00 0.48 0.00 0.00 55.95 56.24 1uht s SER 6 Cb 0.00 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 1uht s SER 6 CO 0.00 -0.60 0.07 -0.83 0.98 0.00 0.00 173.24 172.86 1uht s GLY 7 N -2.75 1.99 -0.28 7.32 0.00 -1.26 -4.99 107.32 107.35 1uht s GLY 7 Ca 0.11 -0.89 -0.35 0.00 0.00 0.00 0.00 44.72 43.59 1uht s GLY 7 CO -0.03 -0.77 1.37 -0.29 0.00 0.00 0.00 173.10 173.39 1uht s MET 8 N -1.72 0.05 -0.03 2.90 -2.45 -1.26 -5.00 119.30 111.79 1uht s MET 8 Ca 0.22 -0.01 -0.02 0.00 -1.25 0.00 0.00 55.69 54.63 1uht s MET 8 Cb -0.12 0.02 0.00 0.00 1.25 0.00 0.00 34.83 35.99 1uht s MET 8 CO 0.13 -0.02 0.04 1.33 1.05 0.00 0.00 175.02 177.56 1uht n VAL 9 N 0.18 -1.43 -1.54 10.11 0.24 -1.26 -4.47 118.33 120.16 1uht n VAL 9 Ca 0.03 0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.64 1uht n VAL 9 Cb 0.57 -2.01 0.00 0.00 -1.47 0.00 0.00 33.84 30.93 1uht n VAL 9 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1uht n THR 10 N 0.92 -9.62 -2.54 3.34 -1.04 -1.26 -4.85 114.28 99.22 1uht n THR 10 Ca -0.01 2.30 -0.34 0.00 -2.04 0.00 0.00 64.05 63.96 1uht n THR 10 Cb 0.34 -4.33 -0.04 0.00 -1.82 0.00 0.00 70.33 64.49 1uht n THR 10 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1uht s PRO 11 N -1.47 3.86 0.55 -2.82 0.04 -1.26 -4.64 135.00 129.26 1uht s PRO 11 Ca 0.00 1.39 -0.20 0.00 0.04 0.00 0.00 61.00 62.22 1uht s PRO 11 Cb 0.00 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1uht s PRO 11 CO 0.00 -0.39 1.25 -1.12 0.04 0.00 0.00 177.00 176.78 1uht s SER 12 N -1.91 5.39 -0.34 6.66 0.01 -1.07 -4.64 113.70 117.80 1uht s SER 12 Ca 0.66 2.50 -0.20 0.00 1.31 0.00 0.00 55.95 60.22 1uht s SER 12 Cb -0.17 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.44 1uht s SER 12 CO 0.21 -1.47 0.60 -0.22 0.41 0.00 0.00 173.24 172.78 1uht s LEU 13 N -3.71 4.24 -0.38 2.44 2.96 -1.02 -2.06 118.68 121.15 1uht s LEU 13 Ca 0.73 0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.81 1uht s LEU 13 Cb -0.33 -2.75 0.09 0.00 0.50 0.00 0.00 46.19 43.70 1uht s LEU 13 CO 0.38 -0.53 0.15 -0.60 -1.32 0.00 0.00 176.35 174.43 1uht s ARG 14 N 2.61 2.11 -0.41 1.98 3.52 -0.46 -1.72 118.95 126.57 1uht s ARG 14 Ca 0.23 -1.67 -0.24 0.00 -0.13 0.00 0.00 55.73 53.93 1uht s ARG 14 Cb -0.15 -3.48 0.02 0.00 -1.56 0.00 0.00 34.95 29.78 1uht s ARG 14 CO 0.14 -0.95 0.82 -0.51 -0.81 0.00 0.00 175.30 173.99 1uht s LEU 15 N 1.17 4.14 -0.24 -0.88 1.43 -0.90 -1.69 118.68 121.71 1uht s LEU 15 Ca 0.05 0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 1uht s LEU 15 Cb -0.22 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 1uht s LEU 15 CO -0.03 -0.87 0.17 -0.69 0.23 0.00 0.00 176.35 175.16 1uht s VAL 16 N 3.32 5.35 -1.18 -1.59 1.01 0.34 -0.83 120.40 126.82 1uht s VAL 16 Ca 0.32 0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.31 1uht s VAL 16 Cb -0.12 -3.51 0.08 0.00 0.00 0.00 0.00 36.38 32.82 1uht s VAL 16 CO 0.21 0.33 1.58 -0.36 0.00 0.00 0.00 175.10 176.86 1uht s PHE 17 N 1.14 2.78 0.26 5.22 0.08 0.35 0.60 117.98 128.40 1uht s PHE 17 Ca 0.08 -1.40 0.04 0.00 0.12 0.00 0.00 56.93 55.78 1uht s PHE 17 Cb -0.14 -4.67 0.32 0.00 -0.57 0.00 0.00 43.02 37.96 1uht s PHE 17 CO 0.05 -1.80 1.62 -0.39 -0.10 0.00 0.00 175.22 174.60 1uht h VAL 18 N 5.92 1.35 -4.15 -0.44 -1.51 -1.67 1.07 116.25 116.81 1uht h VAL 18 Ca 0.34 -1.75 -0.50 0.00 -1.23 0.00 0.00 66.70 63.55 1uht h VAL 18 Cb 0.93 1.83 -0.13 0.00 -2.13 0.00 0.00 31.29 31.78 1uht h VAL 18 CO 1.41 0.52 -0.49 -0.54 -1.23 0.00 0.00 177.57 177.24 1uht s LYS 19 N -3.96 1.82 0.00 5.19 1.02 -0.88 -4.61 119.74 118.32 1uht s LYS 19 Ca -0.05 -2.08 0.00 0.00 0.02 0.00 0.00 55.97 53.86 1uht s LYS 19 Cb 0.13 0.03 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1uht s LYS 19 CO 0.79 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 1uht n GLY 20 N -0.73 -2.42 0.14 -3.33 0.00 0.51 -3.17 105.19 96.19 1uht n GLY 20 Ca 0.03 -2.08 0.13 0.00 0.00 0.00 0.00 46.02 44.09 1uht n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uht h PRO 21 N 0.22 0.00 -0.33 1.61 0.13 -1.90 -2.71 132.00 129.01 1uht h PRO 21 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1uht h PRO 21 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1uht h PRO 21 CO 0.00 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.31 1uht n ARG 22 N -2.37 3.10 -1.67 0.86 1.74 -1.26 -5.01 116.66 112.05 1uht n ARG 22 Ca 0.04 -2.65 -0.57 0.00 -0.77 0.00 0.00 57.85 53.90 1uht n ARG 22 Cb 0.34 -1.72 -0.07 0.00 -1.02 0.00 0.00 32.46 29.99 1uht n ARG 22 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1uht n GLU 23 N -0.03 1.13 0.00 5.56 2.13 -1.03 -1.13 120.64 127.27 1uht n GLU 23 Ca 0.19 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1uht n GLU 23 Cb 0.78 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.35 1uht n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uht n GLY 24 N 4.61 1.11 3.90 8.31 0.00 0.37 -4.97 105.19 118.53 1uht n GLY 24 Ca 0.29 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.11 1uht n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uht s ASP 25 N -1.56 5.68 -0.22 1.61 1.11 -0.29 -4.92 116.67 118.07 1uht s ASP 25 Ca 0.00 -0.27 -0.14 0.00 0.18 0.00 0.00 52.55 52.31 1uht s ASP 25 Cb 0.00 -1.27 0.07 0.00 1.07 0.00 0.00 42.92 42.78 1uht s ASP 25 CO 0.00 -0.26 0.56 0.00 1.18 0.00 0.00 175.17 176.65 1uht s ALA 26 N -2.18 -1.46 0.40 5.23 0.00 -1.26 0.13 121.76 122.62 1uht s ALA 26 Ca 0.39 1.91 0.07 0.00 0.00 0.00 0.00 51.96 54.34 1uht s ALA 26 Cb -0.08 -1.13 -0.07 0.00 0.00 0.00 0.00 23.12 21.84 1uht s ALA 26 CO 0.28 -0.31 0.06 -0.51 0.00 0.00 0.00 175.76 175.28 1uht s LEU 27 N 1.26 2.96 -0.06 0.00 1.43 -0.01 -4.97 118.68 119.30 1uht s LEU 27 Ca -0.08 -1.23 -0.13 0.00 -1.03 0.00 0.00 54.13 51.66 1uht s LEU 27 Cb -0.06 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 45.06 1uht s LEU 27 CO -0.13 -0.45 0.30 -0.62 0.23 0.00 0.00 176.35 175.68 1uht s ASP 28 N -3.77 -0.24 0.18 2.29 2.15 -1.26 -2.12 116.67 113.90 1uht s ASP 28 Ca 0.37 0.31 -0.08 0.00 0.43 0.00 0.00 52.55 53.57 1uht s ASP 28 Cb 0.07 0.45 -0.01 0.00 -0.30 0.00 0.00 42.92 43.13 1uht s ASP 28 CO 0.20 -0.29 0.29 -0.31 -0.17 0.00 0.00 175.17 174.89 1uht s TYR 29 N -0.68 0.50 0.58 -5.34 2.02 -0.70 -4.99 117.35 108.75 1uht s TYR 29 Ca -0.08 -0.84 -0.08 0.00 -0.37 0.00 0.00 57.07 55.70 1uht s TYR 29 Cb -0.04 -0.09 -0.01 0.00 -0.40 0.00 0.00 41.96 41.42 1uht s TYR 29 CO 0.02 -0.76 0.93 0.15 -1.57 0.00 0.00 175.55 174.33 1uht s LYS 30 N -4.00 3.25 0.03 -0.62 3.01 -1.26 -2.44 119.74 117.71 1uht s LYS 30 Ca 0.21 0.31 -0.30 0.00 -1.01 0.00 0.00 55.97 55.17 1uht s LYS 30 Cb 0.03 -2.22 -0.05 0.00 -1.01 0.00 0.00 37.83 34.59 1uht s LYS 30 CO 0.03 -0.58 1.18 -1.25 0.51 0.00 0.00 175.35 175.24 1uht s PRO 31 N -5.02 4.43 0.00 -1.68 0.04 -1.26 -2.92 135.00 128.59 1uht s PRO 31 Ca 0.53 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1uht s PRO 31 Cb -0.11 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1uht s PRO 31 CO 0.48 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.66 1uht n GLY 32 N 3.21 0.87 3.31 0.56 0.00 -1.26 -5.05 105.19 106.83 1uht n GLY 32 Ca 0.09 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1uht n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uht s SER 33 N -2.08 5.56 -0.00 1.61 0.01 -1.15 -4.85 113.70 112.80 1uht s SER 33 Ca 0.00 -1.17 -0.30 0.00 1.31 0.00 0.00 55.95 55.79 1uht s SER 33 Cb 0.00 -1.96 -0.08 0.00 0.21 0.00 0.00 66.02 64.20 1uht s SER 33 CO 0.00 -0.40 1.86 -0.89 0.41 0.00 0.00 173.24 174.22 1uht s THR 34 N 1.47 3.22 -0.60 1.44 2.01 -1.26 -4.73 115.64 117.18 1uht s THR 34 Ca 0.01 0.26 -0.08 0.00 0.31 0.00 0.00 61.69 62.19 1uht s THR 34 Cb -0.20 -3.17 0.16 0.00 0.01 0.00 0.00 72.50 69.29 1uht s THR 34 CO 0.04 -0.03 0.47 -0.63 -0.69 0.00 0.00 174.62 173.79 1uht s ILE 35 N 4.39 4.37 -0.31 1.82 1.01 0.50 -4.92 121.20 128.06 1uht s ILE 35 Ca 0.83 -2.32 -0.29 0.00 0.00 0.00 0.00 60.65 58.88 1uht s ILE 35 Cb -0.39 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1uht s ILE 35 CO 0.37 -0.87 1.27 -0.13 0.00 0.00 0.00 174.94 175.58 1uht s ARG 36 N 0.63 3.92 -0.19 2.79 3.00 -1.26 0.06 118.95 127.91 1uht s ARG 36 Ca 0.12 1.19 -0.08 0.00 0.00 0.00 0.00 55.73 56.96 1uht s ARG 36 Cb -0.21 -3.86 -0.04 0.00 0.00 0.00 0.00 34.95 30.84 1uht s ARG 36 CO -0.03 -1.11 0.07 0.08 0.00 0.00 0.00 175.30 174.30 1uht s VAL 37 N 4.31 4.82 0.00 3.52 1.01 -0.74 0.20 120.40 133.51 1uht s VAL 37 Ca 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1uht s VAL 37 Cb -0.16 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1uht s VAL 37 CO 0.23 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1uht n GLY 38 N 3.65 4.72 0.15 4.51 0.00 0.63 -2.33 105.19 116.53 1uht n GLY 38 Ca -0.16 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 1uht n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1uht n ARG 39 N 0.00 0.31 -3.37 1.61 0.63 -0.65 -1.95 116.66 113.24 1uht n ARG 39 Ca 0.00 0.08 -0.36 0.00 -0.92 0.00 0.00 57.85 56.65 1uht n ARG 39 Cb 0.00 -1.21 -0.06 0.00 0.45 0.00 0.00 32.46 31.65 1uht n ARG 39 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1uht s ILE 40 N -2.25 4.87 0.21 5.15 -4.36 -1.26 -3.14 121.20 120.42 1uht s ILE 40 Ca -0.17 0.84 -0.05 0.00 -0.26 0.00 0.00 60.65 61.02 1uht s ILE 40 Cb 0.05 -3.75 0.03 0.00 1.25 0.00 0.00 42.46 40.04 1uht s ILE 40 CO 0.28 0.31 1.62 -0.37 0.24 0.00 0.00 174.94 177.02 1uht h VAL 41 N 2.95 1.27 -2.94 8.37 -1.51 -1.90 -3.35 116.25 119.14 1uht h VAL 41 Ca -0.49 -1.36 -0.57 0.00 -1.23 0.00 0.00 66.70 63.05 1uht h VAL 41 Cb 1.20 1.24 -0.04 0.00 -2.13 0.00 0.00 31.29 31.56 1uht h VAL 41 CO 0.65 0.45 0.87 -0.13 -1.23 0.00 0.00 177.57 178.19 1uht s ARG 42 N -4.57 4.25 0.00 5.19 3.00 -1.26 -3.71 118.95 121.85 1uht s ARG 42 Ca -0.09 1.66 0.00 0.00 0.00 0.00 0.00 55.73 57.30 1uht s ARG 42 Cb 0.13 -3.73 0.00 0.00 0.00 0.00 0.00 34.95 31.35 1uht s ARG 42 CO 0.84 -0.67 0.00 0.41 0.00 0.00 0.00 175.30 175.88 1uht n GLY 43 N 3.57 2.60 3.89 -3.53 0.00 -1.26 -5.02 105.19 105.44 1uht n GLY 43 Ca 0.13 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 1uht n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uht s ASN 44 N 0.00 6.51 0.04 1.61 0.01 -1.24 -4.95 114.94 116.91 1uht s ASN 44 Ca 0.00 0.60 -0.30 0.00 -0.71 0.00 0.00 52.86 52.45 1uht s ASN 44 Cb 0.00 -2.10 -0.16 0.00 0.41 0.00 0.00 41.25 39.40 1uht s ASN 44 CO 0.00 0.11 1.33 -0.33 -1.51 0.00 0.00 177.10 176.70 1uht h GLU 45 N 3.14 -1.04 -5.91 -0.60 4.39 0.20 -3.43 114.58 111.34 1uht h GLU 45 Ca -0.47 0.07 -0.63 0.00 0.34 0.00 0.00 59.36 58.68 1uht h GLU 45 Cb 1.17 0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 30.00 1uht h GLU 45 CO 0.71 -0.69 -0.29 0.42 -1.16 0.00 0.00 179.01 178.00 1uht s ILE 46 N -5.17 5.18 0.03 3.13 1.01 -0.38 -4.94 121.20 120.06 1uht s ILE 46 Ca -0.16 0.59 0.03 0.00 0.00 0.00 0.00 60.65 61.12 1uht s ILE 46 Cb 0.02 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 1uht s ILE 46 CO 0.47 0.55 -0.10 0.00 0.00 0.00 0.00 174.94 175.86 1uht s ALA 47 N -1.11 0.83 -0.07 9.38 0.00 -1.26 -0.27 121.76 129.27 1uht s ALA 47 Ca 0.22 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 1uht s ALA 47 Cb -0.15 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 22.91 1uht s ALA 47 CO 0.11 0.12 0.02 0.42 0.00 0.00 0.00 175.76 176.43 1uht s ILE 48 N -0.89 0.27 -1.31 0.00 1.01 -0.82 -4.94 121.20 114.51 1uht s ILE 48 Ca -0.02 0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.70 1uht s ILE 48 Cb -0.07 -0.47 0.14 0.00 0.01 0.00 0.00 42.46 42.07 1uht s ILE 48 CO 0.01 0.22 1.99 0.29 0.00 0.00 0.00 174.94 177.45 1uht n LYS 49 N 5.18 3.63 0.00 2.79 4.76 -1.26 -4.28 118.16 128.98 1uht n LYS 49 Ca -0.06 -3.38 0.00 0.00 -2.87 0.00 0.00 58.31 52.00 1uht n LYS 49 Cb 0.50 -2.93 0.00 0.00 -1.84 0.00 0.00 35.03 30.76 1uht n LYS 49 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1uht n ASP 50 N 3.89 0.76 0.00 4.39 2.03 -1.26 -4.90 116.55 121.47 1uht n ASP 50 Ca 0.44 -0.88 0.00 0.00 0.52 0.00 0.00 54.79 54.87 1uht n ASP 50 Cb 0.35 0.31 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 1uht n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1uht n ALA 51 N -0.27 0.00 -0.58 -1.67 0.00 -1.26 -4.58 120.51 112.14 1uht n ALA 51 Ca 0.00 0.00 0.47 0.00 0.00 0.00 0.00 53.44 53.91 1uht n ALA 51 Cb 0.02 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.19 1uht n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uht n GLY 52 N 0.00 -0.93 3.84 0.00 0.00 -1.26 -4.13 105.19 102.72 1uht n GLY 52 Ca 0.00 0.61 -0.38 0.00 0.00 0.00 0.00 46.02 46.25 1uht n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uht s ILE 53 N -4.74 5.06 0.29 -0.61 1.01 -1.26 -4.20 121.20 116.75 1uht s ILE 53 Ca -0.04 0.75 0.08 0.00 0.00 0.00 0.00 60.65 61.44 1uht s ILE 53 Cb 0.23 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1uht s ILE 53 CO 0.78 0.54 0.17 -0.44 0.00 0.00 0.00 174.94 175.99 1uht s SER 54 N -1.16 5.08 0.08 3.58 0.01 -1.26 -4.56 113.70 115.47 1uht s SER 54 Ca 0.24 -0.50 -0.15 0.00 1.31 0.00 0.00 55.95 56.85 1uht s SER 54 Cb -0.16 -1.04 -0.03 0.00 0.21 0.00 0.00 66.02 65.00 1uht s SER 54 CO 0.13 -0.16 1.18 0.35 0.41 0.00 0.00 173.24 175.15 1uht n THR 55 N -1.16 -0.32 -3.15 1.44 -2.24 -1.26 -1.63 114.28 105.96 1uht n THR 55 Ca -0.05 1.82 -0.37 0.00 -2.27 0.00 0.00 64.05 63.18 1uht n THR 55 Cb 0.59 -2.31 -0.02 0.00 -2.10 0.00 0.00 70.33 66.49 1uht n THR 55 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1uht n LYS 56 N -4.07 3.80 0.17 -0.78 4.01 -1.26 -3.21 118.16 116.82 1uht n LYS 56 Ca 0.01 -4.60 -0.07 0.00 -0.51 0.00 0.00 58.31 53.14 1uht n LYS 56 Cb 0.12 -2.42 -0.03 0.00 -0.51 0.00 0.00 35.03 32.19 1uht n LYS 56 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1uht h HIS 57 N 4.98 -0.43 -3.35 2.13 2.76 -1.48 -3.42 115.15 116.33 1uht h HIS 57 Ca 0.20 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 1uht h HIS 57 Cb 0.63 0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.67 1uht h HIS 57 CO 0.91 -0.27 0.06 -0.48 -1.30 0.00 0.00 177.93 176.86 1uht s LEU 58 N -7.34 0.11 0.00 0.26 0.05 -0.98 -2.18 118.68 108.60 1uht s LEU 58 Ca -0.07 -0.88 0.02 0.00 0.05 0.00 0.00 54.13 53.25 1uht s LEU 58 Cb 0.01 2.26 -0.01 0.00 -2.05 0.00 0.00 46.19 46.40 1uht s LEU 58 CO 0.20 -1.31 -0.07 0.00 -0.55 0.00 0.00 176.35 174.62 1uht s ARG 59 N -3.67 0.55 -0.09 1.48 1.70 -1.17 -1.80 118.95 115.95 1uht s ARG 59 Ca 0.18 -0.31 -0.03 0.00 -0.47 0.00 0.00 55.73 55.10 1uht s ARG 59 Cb -0.03 -0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 33.81 1uht s ARG 59 CO 0.10 0.13 0.03 0.42 -1.08 0.00 0.00 175.30 174.90 1uht s ILE 60 N -0.32 4.53 0.21 4.99 1.01 0.11 -3.44 121.20 128.29 1uht s ILE 60 Ca 0.01 -0.17 -0.14 0.00 0.00 0.00 0.00 60.65 60.35 1uht s ILE 60 Cb -0.04 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.52 1uht s ILE 60 CO -0.00 0.61 0.46 -1.83 0.00 0.00 0.00 174.94 174.18 1uht s GLU 61 N -0.89 1.41 -0.00 2.79 4.04 -1.09 0.19 118.70 125.14 1uht s GLU 61 Ca 0.13 -1.08 0.06 0.00 0.04 0.00 0.00 54.97 54.13 1uht s GLU 61 Cb -0.11 0.48 -0.02 0.00 0.02 0.00 0.00 34.13 34.49 1uht s GLU 61 CO 0.03 -0.58 -0.20 0.45 -1.84 0.00 0.00 175.26 173.11 1uht s SER 62 N -2.95 2.37 0.09 0.83 0.15 -1.26 -0.33 113.70 112.59 1uht s SER 62 Ca 0.16 -0.39 -0.07 0.00 0.70 0.00 0.00 55.95 56.35 1uht s SER 62 Cb -0.00 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 1uht s SER 62 CO 0.03 0.23 0.14 -0.62 1.20 0.00 0.00 173.24 174.21 1uht s ASP 63 N -0.61 0.21 -1.33 5.45 2.15 0.34 -4.71 116.67 118.17 1uht s ASP 63 Ca 0.08 -0.77 -0.21 0.00 0.43 0.00 0.00 52.55 52.07 1uht s ASP 63 Cb -0.08 0.31 0.03 0.00 -0.30 0.00 0.00 42.92 42.88 1uht s ASP 63 CO -0.00 -0.71 0.45 -0.24 -0.17 0.00 0.00 175.17 174.49 1uht n SER 64 N -0.03 -2.29 -4.25 -0.34 2.88 -1.26 0.90 113.62 109.24 1uht n SER 64 Ca -0.14 -1.27 -0.34 0.00 -1.33 0.00 0.00 58.87 55.79 1uht n SER 64 Cb 0.62 -1.78 -0.05 0.00 -0.75 0.00 0.00 64.21 62.25 1uht n SER 64 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uht n GLY 65 N -2.24 -0.32 3.61 0.46 0.00 -1.26 -4.90 105.19 100.54 1uht n GLY 65 Ca -0.19 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1uht n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uht s ASN 66 N -3.77 -0.19 0.03 1.61 0.01 0.26 -4.72 114.94 108.17 1uht s ASN 66 Ca 0.43 -0.68 0.01 0.00 -0.71 0.00 0.00 52.86 51.92 1uht s ASN 66 Cb -0.24 0.61 -0.04 0.00 0.41 0.00 0.00 41.25 41.99 1uht s ASN 66 CO 0.95 -1.14 0.06 0.26 -1.51 0.00 0.00 177.10 175.72 1uht s TRP 67 N -3.94 3.19 0.05 2.20 0.52 -1.26 0.13 118.94 119.83 1uht s TRP 67 Ca 0.14 0.12 -0.05 0.00 0.02 0.00 0.00 56.10 56.34 1uht s TRP 67 Cb -0.02 -1.67 -0.02 0.00 -1.15 0.00 0.00 33.47 30.61 1uht s TRP 67 CO 0.04 0.52 0.07 0.14 0.02 0.00 0.00 176.95 177.74 1uht s VAL 68 N -1.24 0.15 0.03 4.03 -7.23 0.55 -1.34 120.40 115.35 1uht s VAL 68 Ca 0.24 -1.25 0.06 0.00 -1.81 0.00 0.00 61.98 59.22 1uht s VAL 68 Cb -0.12 -1.05 -0.02 0.00 0.56 0.00 0.00 36.38 35.74 1uht s VAL 68 CO 0.16 -0.69 -0.18 -0.51 -0.31 0.00 0.00 175.10 173.57 1uht s ILE 69 N -3.00 1.44 -0.06 -0.62 2.07 0.10 -2.67 121.20 118.47 1uht s ILE 69 Ca -0.02 -1.04 -0.02 0.00 -1.41 0.00 0.00 60.65 58.16 1uht s ILE 69 Cb 0.01 -1.25 0.04 0.00 0.13 0.00 0.00 42.46 41.38 1uht s ILE 69 CO -0.06 0.19 0.11 -1.58 -1.91 0.00 0.00 174.94 171.68 1uht s GLN 70 N -1.00 0.02 -0.45 3.50 0.74 -1.22 -2.58 119.66 118.67 1uht s GLN 70 Ca 0.06 0.38 -0.26 0.00 0.05 0.00 0.00 55.36 55.58 1uht s GLN 70 Cb -0.08 -0.26 0.03 0.00 1.10 0.00 0.00 33.01 33.79 1uht s GLN 70 CO 0.01 -0.22 0.95 0.34 -0.55 0.00 0.00 175.29 175.82 1uht s ASP 71 N 1.56 6.54 -0.84 6.67 -1.08 -1.25 -3.03 116.67 125.23 1uht s ASP 71 Ca -0.04 0.21 -0.06 0.00 -0.52 0.00 0.00 52.55 52.14 1uht s ASP 71 Cb -0.12 -2.46 -0.11 0.00 -1.46 0.00 0.00 42.92 38.77 1uht s ASP 71 CO -0.05 -1.05 2.55 0.18 0.52 0.00 0.00 175.17 177.32 1uht n LEU 72 N 7.20 5.66 -3.81 -1.34 4.32 -0.93 -3.85 117.00 124.25 1uht n LEU 72 Ca 0.07 -3.17 -0.25 0.00 -0.02 0.00 0.00 56.01 52.64 1uht n LEU 72 Cb 0.48 -1.21 -0.02 0.00 -1.62 0.00 0.00 43.42 41.06 1uht n LEU 72 CO 0.64 1.17 -0.18 0.61 -1.22 0.00 0.00 177.39 178.41 1uht n GLY 73 N 3.37 -0.33 0.00 -0.72 0.00 -1.26 -4.75 105.19 101.51 1uht n GLY 73 Ca 0.50 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1uht n GLY 73 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uht n SER 74 N -1.19 0.00 0.16 1.61 2.88 -1.22 -4.97 113.62 110.90 1uht n SER 74 Ca -0.12 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1uht n SER 74 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1uht n SER 74 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uht n SER 75 N -0.47 -2.83 -0.01 -3.46 7.64 -1.26 -4.97 113.62 108.26 1uht n SER 75 Ca 0.00 0.68 -0.20 0.00 1.01 0.00 0.00 58.87 60.36 1uht n SER 75 Cb 0.00 2.78 -0.14 0.00 -1.01 0.00 0.00 64.21 65.84 1uht n SER 75 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1uht h ASN 76 N 0.00 0.29 -4.69 6.43 2.35 -1.93 -3.51 115.58 114.53 1uht h ASN 76 Ca 0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 54.89 1uht h ASN 76 Cb 0.00 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1uht h ASN 76 CO 0.00 1.43 0.00 0.61 -1.65 0.00 0.00 177.43 177.82 1uht n GLY 77 N 1.66 2.89 3.52 2.83 0.00 -1.26 -5.09 105.19 109.74 1uht n GLY 77 Ca -0.20 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.49 1uht n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uht s THR 78 N -2.10 3.38 -0.01 2.61 2.01 -1.26 -4.57 115.64 115.69 1uht s THR 78 Ca 0.00 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.42 1uht s THR 78 Cb 0.00 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 1uht s THR 78 CO 0.00 0.59 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.72 1uht s LEU 79 N -0.67 3.30 -0.25 4.42 1.43 0.03 0.73 118.68 127.67 1uht s LEU 79 Ca 0.10 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1uht s LEU 79 Cb -0.11 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.32 1uht s LEU 79 CO 0.01 0.30 -0.01 -0.22 0.23 0.00 0.00 176.35 176.66 1uht s LEU 80 N -1.36 2.56 0.00 1.79 2.96 0.20 -0.29 118.68 124.54 1uht s LEU 80 Ca 0.17 -1.30 0.00 0.00 -0.22 0.00 0.00 54.13 52.78 1uht s LEU 80 Cb -0.11 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.48 1uht s LEU 80 CO 0.07 -0.29 0.00 0.59 -1.32 0.00 0.00 176.35 175.41 1uht n ASN 81 N 4.71 0.00 -2.69 3.68 3.02 0.43 -1.50 115.26 122.90 1uht n ASN 81 Ca -0.08 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.40 1uht n ASN 81 Cb 0.44 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.71 1uht n ASN 81 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1uht n SER 82 N 1.29 -1.21 -3.64 6.41 7.64 -1.26 -4.90 113.62 117.94 1uht n SER 82 Ca 0.00 -2.44 -0.13 0.00 1.01 0.00 0.00 58.87 57.32 1uht n SER 82 Cb 0.00 0.68 -0.07 0.00 -1.01 0.00 0.00 64.21 63.81 1uht n SER 82 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1uht s ASN 83 N -1.57 -0.76 -0.14 6.43 0.01 -0.56 -5.14 114.94 113.21 1uht s ASN 83 Ca 0.21 1.41 -0.27 0.00 -0.71 0.00 0.00 52.86 53.50 1uht s ASN 83 Cb 0.41 1.40 -0.01 0.00 0.41 0.00 0.00 41.25 43.46 1uht s ASN 83 CO -0.08 -0.24 0.89 0.00 -1.51 0.00 0.00 177.10 176.16 1uht s ALA 84 N 0.61 3.47 0.95 0.60 0.00 -1.26 0.60 121.76 126.73 1uht s ALA 84 Ca -0.02 0.16 -0.13 0.00 0.00 0.00 0.00 51.96 51.98 1uht s ALA 84 Cb -0.05 -3.29 0.16 0.00 0.00 0.00 0.00 23.12 19.94 1uht s ALA 84 CO -0.03 -0.61 1.13 -0.51 0.00 0.00 0.00 175.76 175.73 1uht s LEU 85 N 2.05 1.85 0.09 0.00 1.43 0.22 -4.95 118.68 119.37 1uht s LEU 85 Ca 0.42 1.00 0.06 0.00 -1.03 0.00 0.00 54.13 54.58 1uht s LEU 85 Cb -0.17 -3.26 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 1uht s LEU 85 CO 0.14 -2.78 -0.16 -0.62 0.23 0.00 0.00 176.35 173.16 1uht s ASP 86 N -3.87 2.04 0.13 2.29 2.15 -1.26 -4.61 116.67 113.55 1uht s ASP 86 Ca 0.65 -0.68 -0.06 0.00 0.43 0.00 0.00 52.55 52.89 1uht s ASP 86 Cb -0.16 -0.09 -0.08 0.00 -0.30 0.00 0.00 42.92 42.30 1uht s ASP 86 CO 0.55 -0.04 1.32 1.55 -0.17 0.00 0.00 175.17 178.38 1uht h PRO 87 N 4.06 0.50 -1.15 4.34 0.13 -1.98 -3.15 132.00 134.75 1uht h PRO 87 Ca -0.42 -0.48 -0.36 0.00 -0.87 0.00 0.00 66.00 63.86 1uht h PRO 87 Cb 1.19 0.12 -0.19 0.00 0.13 0.00 0.00 31.00 32.25 1uht h PRO 87 CO 0.42 1.12 0.47 0.39 -0.23 0.00 0.00 178.00 180.16 1uht n GLU 88 N -3.81 1.89 -3.61 0.86 1.02 -1.26 -4.74 120.64 111.00 1uht n GLU 88 Ca -0.07 -1.95 -0.16 0.00 -0.02 0.00 0.00 57.16 54.96 1uht n GLU 88 Cb 0.80 -1.77 -0.07 0.00 -0.02 0.00 0.00 31.44 30.38 1uht n GLU 88 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1uht s THR 89 N -2.44 0.01 -0.10 2.62 2.01 -1.19 -5.16 115.64 111.39 1uht s THR 89 Ca 0.38 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.34 1uht s THR 89 Cb 0.31 -0.89 -0.00 0.00 0.01 0.00 0.00 72.50 71.92 1uht s THR 89 CO 0.04 -0.04 -0.23 -0.94 -0.69 0.00 0.00 174.62 172.75 1uht s SER 90 N -0.70 3.14 0.09 3.53 1.04 -1.26 -4.51 113.70 115.02 1uht s SER 90 Ca -0.08 -0.54 0.07 0.00 0.48 0.00 0.00 55.95 55.88 1uht s SER 90 Cb -0.02 -1.38 -0.04 0.00 0.10 0.00 0.00 66.02 64.68 1uht s SER 90 CO 0.06 0.17 -0.10 -0.69 0.98 0.00 0.00 173.24 173.66 1uht s VAL 91 N 0.30 3.36 -0.21 5.02 1.01 -1.07 -4.97 120.40 123.85 1uht s VAL 91 Ca -0.17 -1.22 -0.19 0.00 0.00 0.00 0.00 61.98 60.39 1uht s VAL 91 Cb -0.18 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1uht s VAL 91 CO 0.08 0.15 0.56 0.54 0.00 0.00 0.00 175.10 176.44 1uht s ASN 92 N -2.10 6.60 1.13 3.32 2.20 -1.26 -0.72 114.94 124.10 1uht s ASN 92 Ca 0.21 0.72 -0.14 0.00 -0.94 0.00 0.00 52.86 52.71 1uht s ASN 92 Cb -0.11 -2.31 0.26 0.00 -2.00 0.00 0.00 41.25 37.08 1uht s ASN 92 CO 0.13 -0.23 1.06 -0.76 -2.94 0.00 0.00 177.10 174.35 1uht s LEU 93 N 1.82 0.93 -0.00 3.54 1.43 -0.45 -4.94 118.68 121.01 1uht s LEU 93 Ca 0.26 1.20 -0.27 0.00 -1.03 0.00 0.00 54.13 54.29 1uht s LEU 93 Cb -0.16 -3.15 0.06 0.00 0.03 0.00 0.00 46.19 42.97 1uht s LEU 93 CO 0.10 -3.87 0.60 -0.83 0.23 0.00 0.00 176.35 172.58 1uht s GLY 94 N -3.12 -0.52 -0.35 -3.19 0.00 -1.26 -4.79 107.32 94.09 1uht s GLY 94 Ca 0.67 0.99 -0.27 0.00 0.00 0.00 0.00 44.72 46.11 1uht s GLY 94 CO 0.60 0.65 2.13 -0.35 0.00 0.00 0.00 173.10 176.14 1uht s ASP 95 N -1.55 5.29 0.00 1.64 -1.08 -1.25 -0.99 116.67 118.73 1uht s ASP 95 Ca -0.09 1.39 0.00 0.00 -0.52 0.00 0.00 52.55 53.33 1uht s ASP 95 Cb -0.01 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1uht s ASP 95 CO 0.04 -2.17 0.00 0.61 0.52 0.00 0.00 175.17 174.17 1uht n GLY 96 N 5.74 1.50 3.64 2.66 0.00 0.26 -4.98 105.19 114.00 1uht n GLY 96 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 1uht n GLY 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uht s ASP 97 N -2.00 6.66 -0.30 1.61 1.11 -0.16 -4.84 116.67 118.75 1uht s ASP 97 Ca 0.00 0.82 -0.16 0.00 0.18 0.00 0.00 52.55 53.38 1uht s ASP 97 Cb 0.00 -2.36 -0.02 0.00 1.07 0.00 0.00 42.92 41.60 1uht s ASP 97 CO 0.00 -0.38 0.44 -0.69 1.18 0.00 0.00 175.17 175.72 1uht s VAL 98 N 2.43 5.11 -0.42 -1.27 1.01 -1.26 -1.03 120.40 124.97 1uht s VAL 98 Ca 0.29 0.48 -0.17 0.00 0.00 0.00 0.00 61.98 62.59 1uht s VAL 98 Cb -0.16 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1uht s VAL 98 CO 0.09 0.00 0.40 -0.63 0.00 0.00 0.00 175.10 174.96 1uht s ILE 99 N 2.20 5.14 -0.47 2.22 1.01 0.52 0.16 121.20 131.97 1uht s ILE 99 Ca 0.17 -0.46 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 1uht s ILE 99 Cb -0.16 -4.01 0.08 0.00 0.01 0.00 0.00 42.46 38.38 1uht s ILE 99 CO 0.11 -0.40 0.40 -0.54 0.00 0.00 0.00 174.94 174.51 1uht s LYS 100 N 2.00 2.97 0.36 2.79 1.02 0.60 -0.05 119.74 129.43 1uht s LYS 100 Ca 0.10 -1.38 0.04 0.00 0.02 0.00 0.00 55.97 54.75 1uht s LYS 100 Cb -0.18 -4.13 -0.06 0.00 -0.52 0.00 0.00 37.83 32.94 1uht s LYS 100 CO 0.12 -1.04 0.05 -0.48 -0.92 0.00 0.00 175.35 173.08 1uht s LEU 101 N 1.63 2.32 0.00 3.17 2.34 -0.28 -0.79 118.68 127.06 1uht s LEU 101 Ca 0.04 -1.42 0.00 0.00 0.06 0.00 0.00 54.13 52.81 1uht s LEU 101 Cb -0.25 -0.49 0.00 0.00 -0.56 0.00 0.00 46.19 44.90 1uht s LEU 101 CO 0.06 -0.62 0.00 0.61 -1.06 0.00 0.00 176.35 175.34 1uht n GLY 102 N -0.80 2.71 0.33 -3.48 0.00 -1.26 -2.70 105.19 99.98 1uht n GLY 102 Ca -0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 1uht n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uht n GLU 103 N 13.42 0.29 -2.59 1.61 1.02 -1.26 -4.83 120.64 128.31 1uht n GLU 103 Ca 0.00 0.11 -0.14 0.00 -0.02 0.00 0.00 57.16 57.11 1uht n GLU 103 Cb 0.00 -0.97 0.02 0.00 -0.02 0.00 0.00 31.44 30.48 1uht n GLU 103 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1uht n TYR 104 N -3.75 1.92 -4.13 -0.32 4.01 -1.26 -5.05 117.16 108.58 1uht n TYR 104 Ca -0.08 -2.76 -0.34 0.00 -0.16 0.00 0.00 57.90 54.57 1uht n TYR 104 Cb 0.28 -0.27 -0.15 0.00 -0.31 0.00 0.00 39.34 38.89 1uht n TYR 104 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1uht s THR 105 N -4.00 2.90 -0.05 -0.72 2.01 -1.10 -0.36 115.64 114.31 1uht s THR 105 Ca 0.35 -0.67 0.06 0.00 0.31 0.00 0.00 61.69 61.74 1uht s THR 105 Cb 0.42 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 1uht s THR 105 CO -0.04 0.48 -0.24 -0.44 -0.69 0.00 0.00 174.62 173.70 1uht s SER 106 N 1.22 2.89 -0.06 3.53 0.01 -1.19 -1.13 113.70 118.97 1uht s SER 106 Ca 0.02 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 56.84 1uht s SER 106 Cb -0.14 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.34 1uht s SER 106 CO -0.05 0.23 -0.17 -0.63 0.41 0.00 0.00 173.24 173.04 1uht s ILE 107 N -0.17 1.47 -0.07 1.44 1.01 0.93 -2.03 121.20 123.78 1uht s ILE 107 Ca -0.02 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 1uht s ILE 107 Cb -0.13 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1uht s ILE 107 CO 0.03 0.43 0.14 -0.22 0.00 0.00 0.00 174.94 175.31 1uht s LEU 108 N 0.33 4.28 -0.28 2.97 2.96 0.20 0.20 118.68 129.34 1uht s LEU 108 Ca -0.11 0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 54.10 1uht s LEU 108 Cb -0.15 -2.23 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 1uht s LEU 108 CO 0.04 0.35 0.09 -0.69 -1.32 0.00 0.00 176.35 174.82 1uht s VAL 109 N -1.12 4.23 -0.08 1.68 1.01 -0.20 -0.51 120.40 125.42 1uht s VAL 109 Ca 0.19 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1uht s VAL 109 Cb -0.12 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1uht s VAL 109 CO 0.09 0.19 -0.17 0.20 0.00 0.00 0.00 175.10 175.42 1uht s ASN 110 N 1.57 2.25 -0.50 3.32 0.02 -0.68 0.92 114.94 121.84 1uht s ASN 110 Ca 0.05 -0.39 -0.20 0.00 -1.02 0.00 0.00 52.86 51.30 1uht s ASN 110 Cb -0.16 -1.02 0.05 0.00 0.02 0.00 0.00 41.25 40.14 1uht s ASN 110 CO 0.04 0.08 0.67 -0.36 0.02 0.00 0.00 177.10 177.55 1uht s PHE 111 N 0.52 3.02 -0.56 2.20 0.08 -1.26 -1.35 117.98 120.63 1uht s PHE 111 Ca -0.16 -0.39 -0.28 0.00 0.12 0.00 0.00 56.93 56.22 1uht s PHE 111 Cb -0.16 -3.57 0.02 0.00 -0.57 0.00 0.00 43.02 38.74 1uht s PHE 111 CO 0.06 -1.04 1.26 0.08 -0.10 0.00 0.00 175.22 175.47 1uht s VAL 112 N 2.83 3.96 0.06 -0.44 1.01 -0.87 -4.53 120.40 122.42 1uht s VAL 112 Ca 0.18 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1uht s VAL 112 Cb -0.17 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.59 1uht s VAL 112 CO 0.14 -1.24 0.00 -1.20 0.00 0.00 0.00 175.10 172.80 1uht n SER 113 N 8.71 -0.43 0.00 3.32 7.64 -1.26 -2.59 113.62 129.01 1uht n SER 113 Ca 0.10 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1uht n SER 113 Cb 0.49 0.74 0.00 0.00 -1.01 0.00 0.00 64.21 64.43 1uht n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uht n GLY 114 N -0.76 1.93 2.87 0.23 0.00 -1.26 -4.08 105.19 104.12 1uht n GLY 114 Ca 0.00 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1uht n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uht n PRO 115 N -1.12 2.22 -0.14 1.61 -0.04 -1.26 -4.75 135.00 131.52 1uht n PRO 115 Ca 0.00 -2.15 -0.10 0.00 -0.04 0.00 0.00 63.50 61.21 1uht n PRO 115 Cb 0.00 -3.03 -0.08 0.00 -0.04 0.00 0.00 33.50 30.35 1uht n PRO 115 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1uht h SER 116 N 6.85 -1.47 -6.25 3.54 0.02 -2.02 -3.46 113.55 110.77 1uht h SER 116 Ca 0.51 0.20 -0.18 0.00 -0.84 0.00 0.00 61.79 61.48 1uht h SER 116 Cb 0.60 0.61 0.01 0.00 0.14 0.00 0.00 62.40 63.76 1uht h SER 116 CO 1.89 -0.29 -1.05 -1.54 -1.14 0.00 0.00 176.83 174.70 1uht n SER 117 N -4.74 -6.34 -0.87 3.07 3.41 -1.26 -5.31 113.62 101.57 1uht n SER 117 Ca -0.02 0.25 0.12 0.00 -0.26 0.00 0.00 58.87 58.96 1uht n SER 117 Cb 0.25 -2.28 0.18 0.00 -0.26 0.00 0.00 64.21 62.10 1uht n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49