#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 0.40 0.31 1.61 0.15 -1.26 -5.13 113.70 109.79 1uht s SER 2 Ca 0.00 -0.42 -0.29 0.00 0.70 0.00 0.00 55.95 55.94 1uht s SER 2 Cb 0.00 0.06 -0.11 0.00 -1.71 0.00 0.00 66.02 64.26 1uht s SER 2 CO 0.00 -0.21 1.43 -0.55 1.20 0.00 0.00 173.24 175.11 1uht s SER 3 N -1.20 6.58 0.72 5.45 0.15 -1.26 -5.01 113.70 119.12 1uht s SER 3 Ca -0.11 2.81 0.00 0.00 0.70 0.00 0.00 55.95 59.35 1uht s SER 3 Cb -0.08 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1uht s SER 3 CO -0.00 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1uht n GLY 4 N 1.30 -0.98 3.77 9.45 0.00 -1.26 -5.03 105.19 112.44 1uht n GLY 4 Ca 0.03 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 1uht n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uht s SER 5 N -1.00 7.48 0.48 1.61 0.15 -1.26 -5.04 113.70 116.13 1uht s SER 5 Ca 0.00 1.77 -0.21 0.00 0.70 0.00 0.00 55.95 58.21 1uht s SER 5 Cb 0.00 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.68 1uht s SER 5 CO 0.00 0.17 1.05 -0.44 1.20 0.00 0.00 173.24 175.22 1uht s SER 6 N -1.19 6.35 0.00 5.45 0.01 -1.26 -5.01 113.70 118.05 1uht s SER 6 Ca 0.39 1.96 0.00 0.00 1.31 0.00 0.00 55.95 59.61 1uht s SER 6 Cb -0.24 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.43 1uht s SER 6 CO 0.28 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.77 1uht n GLY 7 N -0.14 4.26 2.98 3.44 0.00 -1.26 -5.15 105.19 109.31 1uht n GLY 7 Ca 0.09 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 1uht n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1uht s MET 8 N -2.14 1.54 0.00 1.61 0.00 -1.26 -4.99 119.30 114.07 1uht s MET 8 Ca 0.00 -0.34 0.22 0.00 0.00 0.00 0.00 55.69 55.57 1uht s MET 8 Cb 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 34.83 33.40 1uht s MET 8 CO 0.00 -0.05 1.03 1.33 0.00 0.00 0.00 175.02 177.33 1uht n VAL 9 N 4.09 0.00 -3.13 5.16 0.24 -1.26 -4.88 118.33 118.55 1uht n VAL 9 Ca -0.21 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.34 61.55 1uht n VAL 9 Cb 0.51 1.08 -0.07 0.00 -1.47 0.00 0.00 33.84 33.90 1uht n VAL 9 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1uht s THR 10 N -2.73 4.98 0.41 3.34 2.01 -1.26 -5.05 115.64 117.35 1uht s THR 10 Ca 0.14 1.01 -0.24 0.00 0.31 0.00 0.00 61.69 62.92 1uht s THR 10 Cb 0.17 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.65 1uht s THR 10 CO 0.71 -0.01 1.05 -2.16 -0.69 0.00 0.00 174.62 173.52 1uht s PRO 11 N 2.51 4.11 0.60 4.92 0.04 -1.26 -4.66 135.00 141.26 1uht s PRO 11 Ca 0.25 1.51 -0.18 0.00 0.04 0.00 0.00 61.00 62.62 1uht s PRO 11 Cb -0.15 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 1uht s PRO 11 CO 0.10 -0.19 1.18 0.45 0.04 0.00 0.00 177.00 178.58 1uht s SER 12 N -1.60 5.20 -0.39 6.66 0.15 -0.30 -4.63 113.70 118.79 1uht s SER 12 Ca 0.59 2.30 -0.20 0.00 0.70 0.00 0.00 55.95 59.34 1uht s SER 12 Cb -0.22 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.52 1uht s SER 12 CO 0.27 -1.58 0.62 -0.22 1.20 0.00 0.00 173.24 173.53 1uht s LEU 13 N -4.20 4.38 -0.39 3.45 2.96 -0.45 -2.00 118.68 122.43 1uht s LEU 13 Ca 0.75 -0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 54.51 1uht s LEU 13 Cb -0.28 -2.73 0.09 0.00 0.50 0.00 0.00 46.19 43.77 1uht s LEU 13 CO 0.34 -0.67 0.19 -0.60 -1.32 0.00 0.00 176.35 174.29 1uht s ARG 14 N 2.72 2.24 -0.41 1.98 3.52 -0.63 -1.64 118.95 126.73 1uht s ARG 14 Ca 0.23 -1.64 -0.22 0.00 -0.13 0.00 0.00 55.73 53.97 1uht s ARG 14 Cb -0.14 -3.58 0.02 0.00 -1.56 0.00 0.00 34.95 29.69 1uht s ARG 14 CO 0.17 -0.97 0.74 -0.51 -0.81 0.00 0.00 175.30 173.92 1uht s LEU 15 N 1.24 4.24 -0.21 -0.88 1.43 -1.13 -1.60 118.68 121.76 1uht s LEU 15 Ca 0.05 0.06 -0.07 0.00 -1.03 0.00 0.00 54.13 53.13 1uht s LEU 15 Cb -0.22 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 1uht s LEU 15 CO -0.02 -0.79 0.05 -0.69 0.23 0.00 0.00 176.35 175.13 1uht s VAL 16 N 3.08 4.42 -0.92 -1.59 1.01 0.84 -1.41 120.40 125.82 1uht s VAL 16 Ca 0.29 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 1uht s VAL 16 Cb -0.13 -3.02 0.09 0.00 0.00 0.00 0.00 36.38 33.32 1uht s VAL 16 CO 0.19 0.40 1.24 -0.36 0.00 0.00 0.00 175.10 176.58 1uht s PHE 17 N 0.98 2.80 0.13 5.22 0.08 0.25 0.20 117.98 127.64 1uht s PHE 17 Ca 0.03 -1.02 0.12 0.00 0.12 0.00 0.00 56.93 56.19 1uht s PHE 17 Cb -0.14 -4.46 0.20 0.00 -0.57 0.00 0.00 43.02 38.05 1uht s PHE 17 CO 0.03 -1.71 1.51 -0.39 -0.10 0.00 0.00 175.22 174.55 1uht h VAL 18 N 6.22 1.30 -3.79 -0.44 -1.51 -1.62 0.76 116.25 117.18 1uht h VAL 18 Ca 0.10 -2.40 -0.27 0.00 -1.23 0.00 0.00 66.70 62.89 1uht h VAL 18 Cb 1.03 2.36 -0.07 0.00 -2.13 0.00 0.00 31.29 32.48 1uht h VAL 18 CO 1.25 0.65 -0.24 0.29 -1.23 0.00 0.00 177.57 178.28 1uht n LYS 19 N -3.50 0.54 0.00 5.19 5.02 -1.00 -4.68 118.16 119.73 1uht n LYS 19 Ca -0.00 -1.78 0.00 0.00 -2.02 0.00 0.00 58.31 54.51 1uht n LYS 19 Cb 0.71 1.15 0.00 0.00 -0.02 0.00 0.00 35.03 36.87 1uht n LYS 19 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uht n GLY 20 N 0.30 -2.79 0.15 0.72 0.00 0.25 -3.11 105.19 100.72 1uht n GLY 20 Ca -0.00 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.37 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 0.00 0.00 -0.30 1.61 0.13 -1.92 -2.56 132.00 128.97 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 -2.47 2.48 -1.67 0.86 1.74 -1.26 -4.99 116.66 111.35 1uht n ARG 22 Ca 0.03 -2.21 -0.65 0.00 -0.77 0.00 0.00 57.85 54.25 1uht n ARG 22 Cb 0.35 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.19 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 1.48 0.00 0.00 5.56 0.00 -0.97 -0.75 120.64 125.96 1uht n GLU 23 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.34 1uht n GLU 23 Cb 0.61 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.58 1uht n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1uht n GLY 24 N 3.52 0.88 3.87 8.31 0.00 0.27 -4.98 105.19 117.05 1uht n GLY 24 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.93 5.95 -0.08 1.61 1.01 0.07 -4.93 116.67 118.37 1uht s ASP 25 Ca 0.00 0.04 -0.16 0.00 0.71 0.00 0.00 52.55 53.14 1uht s ASP 25 Cb 0.00 -1.69 0.03 0.00 1.01 0.00 0.00 42.92 42.27 1uht s ASP 25 CO 0.00 0.08 0.39 0.00 0.21 0.00 0.00 175.17 175.84 1uht s ALA 26 N -1.70 -0.97 0.35 5.23 0.00 -1.26 0.86 121.76 124.27 1uht s ALA 26 Ca 0.33 0.79 0.03 0.00 0.00 0.00 0.00 51.96 53.11 1uht s ALA 26 Cb -0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1uht s ALA 26 CO 0.26 -0.24 0.11 -0.51 0.00 0.00 0.00 175.76 175.38 1uht s LEU 27 N -0.61 1.97 -0.09 0.00 1.43 -0.50 -4.98 118.68 115.89 1uht s LEU 27 Ca -0.07 -1.53 -0.11 0.00 -1.03 0.00 0.00 54.13 51.38 1uht s LEU 27 Cb -0.04 -0.14 0.03 0.00 0.03 0.00 0.00 46.19 46.07 1uht s LEU 27 CO 0.03 -0.80 0.30 1.51 0.23 0.00 0.00 176.35 177.62 1uht s ASP 28 N -3.50 -0.28 0.02 2.29 -4.77 -1.26 -2.84 116.67 106.32 1uht s ASP 28 Ca 0.31 0.49 -0.09 0.00 -3.30 0.00 0.00 52.55 49.96 1uht s ASP 28 Cb 0.05 0.55 0.00 0.00 -1.09 0.00 0.00 42.92 42.44 1uht s ASP 28 CO 0.15 -0.18 0.18 -0.31 0.70 0.00 0.00 175.17 175.72 1uht s TYR 29 N -0.17 0.02 0.76 2.11 2.02 -0.65 -4.97 117.35 116.46 1uht s TYR 29 Ca -0.03 -0.14 -0.11 0.00 -0.37 0.00 0.00 57.07 56.41 1uht s TYR 29 Cb -0.03 -0.02 0.05 0.00 -0.40 0.00 0.00 41.96 41.55 1uht s TYR 29 CO 0.01 -0.36 1.09 0.15 -1.57 0.00 0.00 175.55 174.87 1uht s LYS 30 N -1.88 2.40 0.03 -0.62 1.02 -1.26 -1.34 119.74 118.09 1uht s LYS 30 Ca -0.11 0.60 -0.30 0.00 0.02 0.00 0.00 55.97 56.18 1uht s LYS 30 Cb -0.04 -1.96 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 1uht s LYS 30 CO -0.00 -1.39 1.18 -1.25 -0.92 0.00 0.00 175.35 172.97 1uht s PRO 31 N -5.22 4.43 0.00 -1.68 0.04 -1.26 -3.05 135.00 128.26 1uht s PRO 31 Ca 0.60 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1uht s PRO 31 Cb -0.13 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1uht s PRO 31 CO 0.53 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.71 1uht n GLY 32 N 3.22 0.93 3.21 0.56 0.00 -1.26 -5.07 105.19 106.77 1uht n GLY 32 Ca 0.09 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.07 4.57 -0.01 1.61 0.01 -1.17 -4.92 113.70 111.72 1uht s SER 33 Ca 0.00 -0.97 -0.30 0.00 1.31 0.00 0.00 55.95 55.99 1uht s SER 33 Cb 0.00 -1.70 -0.06 0.00 0.21 0.00 0.00 66.02 64.47 1uht s SER 33 CO 0.00 -0.17 1.57 -0.89 0.41 0.00 0.00 173.24 174.16 1uht s THR 34 N 1.32 3.49 -0.58 1.44 2.01 -1.26 -4.72 115.64 117.34 1uht s THR 34 Ca -0.01 0.78 -0.07 0.00 0.31 0.00 0.00 61.69 62.69 1uht s THR 34 Cb -0.18 -3.50 0.15 0.00 0.01 0.00 0.00 72.50 68.99 1uht s THR 34 CO -0.03 -0.03 0.44 -0.63 -0.69 0.00 0.00 174.62 173.68 1uht s ILE 35 N 3.19 4.18 -0.21 1.82 1.09 0.39 -4.93 121.20 126.73 1uht s ILE 35 Ca 0.70 -2.37 -0.29 0.00 -1.10 0.00 0.00 60.65 57.59 1uht s ILE 35 Cb -0.34 -3.72 -0.01 0.00 -1.06 0.00 0.00 42.46 37.34 1uht s ILE 35 CO 0.29 -0.85 1.25 -0.13 -0.10 0.00 0.00 174.94 175.40 1uht s ARG 36 N 0.60 4.14 -0.27 2.79 0.52 -1.26 -0.81 118.95 124.66 1uht s ARG 36 Ca 0.12 1.50 -0.07 0.00 -0.52 0.00 0.00 55.73 56.76 1uht s ARG 36 Cb -0.21 -3.79 -0.01 0.00 0.52 0.00 0.00 34.95 31.46 1uht s ARG 36 CO -0.04 -0.83 0.07 0.08 0.02 0.00 0.00 175.30 174.61 1uht s VAL 37 N 3.74 4.16 0.00 3.52 1.01 -0.74 0.28 120.40 132.37 1uht s VAL 37 Ca 0.54 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1uht s VAL 37 Cb -0.19 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1uht s VAL 37 CO 0.16 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1uht n GLY 38 N 4.90 5.37 0.07 4.51 0.00 0.21 -2.12 105.19 118.14 1uht n GLY 38 Ca -0.16 -1.30 -0.06 0.00 0.00 0.00 0.00 46.02 44.51 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 1.40 -4.30 1.61 0.63 0.18 -2.23 116.66 113.95 1uht n ARG 39 Ca 0.00 -0.02 -0.35 0.00 -0.92 0.00 0.00 57.85 56.56 1uht n ARG 39 Cb 0.00 -1.39 -0.10 0.00 0.45 0.00 0.00 32.46 31.42 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 -2.45 4.36 0.28 5.15 -4.36 -1.26 -3.66 121.20 119.26 1uht s ILE 40 Ca -0.07 -0.22 -0.00 0.00 -0.26 0.00 0.00 60.65 60.10 1uht s ILE 40 Cb 0.05 -2.87 0.12 0.00 1.25 0.00 0.00 42.46 41.01 1uht s ILE 40 CO 0.63 0.56 1.78 -0.37 0.24 0.00 0.00 174.94 177.78 1uht h VAL 41 N 4.44 1.24 -2.94 8.37 -1.51 -1.89 -3.31 116.25 120.65 1uht h VAL 41 Ca -0.45 -0.99 -0.57 0.00 -1.23 0.00 0.00 66.70 63.45 1uht h VAL 41 Cb 1.19 0.95 -0.04 0.00 -2.13 0.00 0.00 31.29 31.26 1uht h VAL 41 CO 0.59 0.34 1.18 -0.13 -1.23 0.00 0.00 177.57 178.32 1uht s ARG 42 N -4.91 3.45 0.00 5.19 0.52 -1.26 -3.04 118.95 118.89 1uht s ARG 42 Ca -0.09 1.21 0.00 0.00 -0.52 0.00 0.00 55.73 56.33 1uht s ARG 42 Cb 0.15 -4.12 0.00 0.00 0.52 0.00 0.00 34.95 31.50 1uht s ARG 42 CO 0.80 -1.72 0.00 0.41 0.02 0.00 0.00 175.30 174.81 1uht n GLY 43 N 5.27 3.21 3.85 -3.53 0.00 -1.26 -5.00 105.19 107.72 1uht n GLY 43 Ca 0.20 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 5.87 0.01 1.61 0.01 -1.17 -4.96 114.94 116.30 1uht s ASN 44 Ca 0.00 0.06 -0.18 0.00 -0.71 0.00 0.00 52.86 52.03 1uht s ASN 44 Cb 0.00 -1.66 -0.10 0.00 0.41 0.00 0.00 41.25 39.90 1uht s ASN 44 CO 0.00 0.12 0.94 -0.33 -1.51 0.00 0.00 177.10 176.33 1uht h GLU 45 N 2.81 -0.63 -5.90 -0.60 4.39 -0.39 -3.41 114.58 110.84 1uht h GLU 45 Ca -0.47 0.04 -0.61 0.00 0.34 0.00 0.00 59.36 58.67 1uht h GLU 45 Cb 1.18 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.91 1uht h GLU 45 CO 0.68 -0.42 -0.23 0.42 -1.16 0.00 0.00 179.01 178.30 1uht s ILE 46 N -3.91 5.11 -0.00 3.13 1.01 -0.23 -4.90 121.20 121.41 1uht s ILE 46 Ca -0.10 0.77 0.02 0.00 0.00 0.00 0.00 60.65 61.35 1uht s ILE 46 Cb 0.01 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 1uht s ILE 46 CO 0.29 0.53 -0.05 0.00 0.00 0.00 0.00 174.94 175.71 1uht s ALA 47 N -0.71 0.45 -0.10 9.38 0.00 -1.26 -0.62 121.76 128.90 1uht s ALA 47 Ca 0.23 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1uht s ALA 47 Cb -0.16 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1uht s ALA 47 CO 0.11 0.11 -0.11 0.42 0.00 0.00 0.00 175.76 176.29 1uht s ILE 48 N -0.15 1.20 -1.16 0.00 1.09 -0.95 -4.93 121.20 116.32 1uht s ILE 48 Ca 0.02 -0.45 -0.14 0.00 -1.10 0.00 0.00 60.65 58.97 1uht s ILE 48 Cb -0.02 -1.14 -0.06 0.00 -1.06 0.00 0.00 42.46 40.17 1uht s ILE 48 CO -0.00 0.39 2.23 0.29 -0.10 0.00 0.00 174.94 177.74 1uht n LYS 49 N 4.40 2.40 -3.79 2.79 4.76 -1.26 -4.53 118.16 122.93 1uht n LYS 49 Ca -0.18 -2.06 -0.28 0.00 -2.87 0.00 0.00 58.31 52.92 1uht n LYS 49 Cb 0.51 -2.92 -0.16 0.00 -1.84 0.00 0.00 35.03 30.62 1uht n LYS 49 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1uht s ASP 50 N 3.65 3.19 0.56 4.39 2.15 -1.26 -4.92 116.67 124.43 1uht s ASP 50 Ca 0.53 -0.93 0.50 0.00 0.43 0.00 0.00 52.55 53.07 1uht s ASP 50 Cb 0.14 -0.76 1.73 0.00 -0.30 0.00 0.00 42.92 43.72 1uht s ASP 50 CO -0.01 -0.29 1.58 0.00 -0.17 0.00 0.00 175.17 176.28 1uht h ALA 51 N 8.16 3.85 -0.50 3.66 0.00 -2.01 1.48 119.26 133.90 1uht h ALA 51 Ca -0.17 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.73 1uht h ALA 51 Cb 1.10 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1uht h ALA 51 CO 0.36 -2.41 0.22 0.78 0.00 0.00 0.00 179.25 178.20 1uht h GLY 52 N 0.00 0.69 -0.85 0.00 0.00 -1.93 -3.42 103.07 97.55 1uht h GLY 52 Ca 0.92 -0.14 -0.48 0.00 0.00 0.00 0.00 47.33 47.63 1uht h GLY 52 CO -0.01 0.07 0.39 -0.42 0.00 0.00 0.00 176.54 176.57 1uht s ILE 53 N -6.13 2.66 0.28 2.60 1.01 0.51 -4.20 121.20 117.93 1uht s ILE 53 Ca -0.13 0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.71 1uht s ILE 53 Cb 0.14 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1uht s ILE 53 CO 0.73 -0.26 0.13 -0.55 0.00 0.00 0.00 174.94 174.99 1uht s SER 54 N -4.48 1.24 -0.42 3.58 0.15 -1.26 -4.81 113.70 107.71 1uht s SER 54 Ca 0.60 -1.47 -0.28 0.00 0.70 0.00 0.00 55.95 55.49 1uht s SER 54 Cb -0.11 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1uht s SER 54 CO 0.50 -0.83 1.52 0.42 1.20 0.00 0.00 173.24 176.05 1uht s THR 55 N -3.73 3.77 -0.02 6.45 -4.23 -1.26 0.47 115.64 117.09 1uht s THR 55 Ca 0.37 0.76 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 1uht s THR 55 Cb 0.06 -4.10 0.00 0.00 1.34 0.00 0.00 72.50 69.81 1uht s THR 55 CO 0.15 -0.74 0.00 0.29 -0.54 0.00 0.00 174.62 173.79 1uht n LYS 56 N 8.27 -0.02 -0.39 3.99 5.02 -1.26 -4.87 118.16 128.90 1uht n LYS 56 Ca 0.18 0.08 -0.07 0.00 -2.02 0.00 0.00 58.31 56.48 1uht n LYS 56 Cb 0.48 -3.59 -0.05 0.00 -0.02 0.00 0.00 35.03 31.85 1uht n LYS 56 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1uht n HIS 57 N -3.86 -0.25 -4.01 2.13 -0.00 -0.93 -4.73 115.22 103.57 1uht n HIS 57 Ca -0.00 1.18 -0.10 0.00 0.46 0.00 0.00 57.72 59.26 1uht n HIS 57 Cb 0.43 -0.68 -0.05 0.00 -0.12 0.00 0.00 29.99 29.58 1uht n HIS 57 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 1uht s LEU 58 N -10.54 0.44 -0.03 0.27 0.05 -0.90 -2.60 118.68 105.36 1uht s LEU 58 Ca -0.12 -1.05 0.02 0.00 0.05 0.00 0.00 54.13 53.03 1uht s LEU 58 Cb 0.14 1.74 0.01 0.00 -2.05 0.00 0.00 46.19 46.03 1uht s LEU 58 CO 0.62 -1.19 -0.06 0.00 -0.55 0.00 0.00 176.35 175.18 1uht s ARG 59 N -3.77 0.78 -0.14 1.48 1.70 -1.12 -1.79 118.95 116.09 1uht s ARG 59 Ca 0.24 -0.17 -0.07 0.00 -0.47 0.00 0.00 55.73 55.26 1uht s ARG 59 Cb -0.01 -0.76 -0.04 0.00 -0.57 0.00 0.00 34.95 33.57 1uht s ARG 59 CO 0.11 0.01 0.11 0.42 -1.08 0.00 0.00 175.30 174.86 1uht s ILE 60 N 0.52 5.21 0.27 4.99 1.01 0.01 -3.19 121.20 130.03 1uht s ILE 60 Ca -0.07 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.65 1uht s ILE 60 Cb -0.11 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 1uht s ILE 60 CO 0.00 0.56 0.35 -1.83 0.00 0.00 0.00 174.94 174.02 1uht s GLU 61 N -0.56 1.57 -0.04 2.79 4.04 -0.91 0.15 118.70 125.73 1uht s GLU 61 Ca 0.12 -1.60 0.06 0.00 0.04 0.00 0.00 54.97 53.58 1uht s GLU 61 Cb -0.12 0.38 -0.01 0.00 0.02 0.00 0.00 34.13 34.41 1uht s GLU 61 CO 0.02 -0.61 -0.22 0.45 -1.84 0.00 0.00 175.26 173.06 1uht s SER 62 N -3.17 2.72 0.00 0.83 0.15 -1.26 -0.25 113.70 112.73 1uht s SER 62 Ca 0.32 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1uht s SER 62 Cb 0.02 -0.64 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 1uht s SER 62 CO 0.15 0.23 0.00 -0.67 1.20 0.00 0.00 173.24 174.15 1uht n ASP 63 N 2.90 0.04 -4.52 5.45 2.03 0.31 -4.82 116.55 117.93 1uht n ASP 63 Ca -0.17 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 54.91 1uht n ASP 63 Cb 0.52 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.77 1uht n ASP 63 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1uht n SER 64 N 0.00 0.19 -4.32 1.67 7.64 -1.26 -1.88 113.62 115.66 1uht n SER 64 Ca 0.00 -0.75 -0.33 0.00 1.01 0.00 0.00 58.87 58.80 1uht n SER 64 Cb 0.00 -1.05 -0.08 0.00 -1.01 0.00 0.00 64.21 62.07 1uht n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uht n GLY 65 N 6.11 -0.21 3.58 0.23 0.00 -1.26 -4.89 105.19 108.75 1uht n GLY 65 Ca 0.58 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.66 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 -4.09 -0.29 -0.03 1.61 0.01 -0.79 -4.84 114.94 106.53 1uht s ASN 66 Ca 0.22 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.90 1uht s ASN 66 Cb -0.12 0.61 -0.03 0.00 0.41 0.00 0.00 41.25 42.12 1uht s ASN 66 CO 0.99 -1.11 -0.02 0.26 -1.51 0.00 0.00 177.10 175.71 1uht s TRP 67 N -3.88 3.04 0.04 2.20 0.52 -1.26 0.12 118.94 119.72 1uht s TRP 67 Ca 0.09 0.07 -0.04 0.00 0.02 0.00 0.00 56.10 56.24 1uht s TRP 67 Cb -0.02 -1.69 -0.02 0.00 -1.15 0.00 0.00 33.47 30.60 1uht s TRP 67 CO -0.01 0.43 0.07 0.14 0.02 0.00 0.00 176.95 177.59 1uht s VAL 68 N -1.00 0.14 0.08 4.03 -7.23 0.66 0.05 120.40 117.14 1uht s VAL 68 Ca 0.17 -1.17 0.09 0.00 -1.81 0.00 0.00 61.98 59.25 1uht s VAL 68 Cb -0.11 -0.91 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 1uht s VAL 68 CO 0.07 -0.65 -0.23 -0.51 -0.31 0.00 0.00 175.10 173.48 1uht s ILE 69 N -2.68 1.85 -0.04 -0.62 2.07 0.90 -2.15 121.20 120.53 1uht s ILE 69 Ca -0.04 -1.46 -0.02 0.00 -1.41 0.00 0.00 60.65 57.72 1uht s ILE 69 Cb -0.01 -1.64 0.03 0.00 0.13 0.00 0.00 42.46 40.98 1uht s ILE 69 CO -0.05 0.10 0.08 -1.58 -1.91 0.00 0.00 174.94 171.58 1uht s GLN 70 N -1.63 -0.01 -0.43 3.50 0.74 -1.19 -2.44 119.66 118.20 1uht s GLN 70 Ca 0.09 0.32 -0.24 0.00 0.05 0.00 0.00 55.36 55.58 1uht s GLN 70 Cb -0.10 -0.30 0.02 0.00 1.10 0.00 0.00 33.01 33.73 1uht s GLN 70 CO 0.04 -0.23 0.86 0.34 -0.55 0.00 0.00 175.29 175.75 1uht s ASP 71 N 1.52 6.51 -0.86 6.67 2.15 -1.25 -2.80 116.67 128.61 1uht s ASP 71 Ca -0.04 0.16 -0.06 0.00 0.43 0.00 0.00 52.55 53.04 1uht s ASP 71 Cb -0.12 -2.42 -0.09 0.00 -0.30 0.00 0.00 42.92 39.99 1uht s ASP 71 CO -0.04 -0.93 2.37 0.18 -0.17 0.00 0.00 175.17 176.58 1uht n LEU 72 N 6.86 5.36 -3.75 -1.34 4.32 -1.07 -3.90 117.00 123.48 1uht n LEU 72 Ca 0.05 -3.04 -0.26 0.00 -0.02 0.00 0.00 56.01 52.73 1uht n LEU 72 Cb 0.48 -1.15 -0.06 0.00 -1.62 0.00 0.00 43.42 41.07 1uht n LEU 72 CO 0.60 0.97 -0.23 0.61 -1.22 0.00 0.00 177.39 178.12 1uht n GLY 73 N 3.50 -0.18 3.68 -0.72 0.00 -1.26 -4.78 105.19 105.42 1uht n GLY 73 Ca 0.48 0.09 -0.37 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.77 1.57 -4.06 1.61 2.88 -1.25 -4.78 113.62 107.82 1uht n SER 74 Ca -0.08 0.82 -0.36 0.00 -1.33 0.00 0.00 58.87 57.92 1uht n SER 74 Cb 0.42 -1.49 -0.07 0.00 -0.75 0.00 0.00 64.21 62.32 1uht n SER 74 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uht n SER 75 N -1.42 2.57 0.00 -3.46 2.88 -1.26 -3.08 113.62 109.85 1uht n SER 75 Ca 0.15 -2.66 0.00 0.00 -1.33 0.00 0.00 58.87 55.02 1uht n SER 75 Cb 0.48 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1uht n SER 75 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1uht n ASN 76 N 11.10 0.00 0.00 -3.46 3.02 -1.26 -5.00 115.26 119.65 1uht n ASN 76 Ca 0.47 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.02 1uht n ASN 76 Cb 0.43 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1uht n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uht n GLY 77 N 0.00 3.62 3.60 7.41 0.00 -1.18 -5.11 105.19 113.53 1uht n GLY 77 Ca 0.00 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.50 3.66 0.05 2.61 2.01 -1.26 -4.47 115.64 115.74 1uht s THR 78 Ca 0.00 -0.76 0.07 0.00 0.31 0.00 0.00 61.69 61.31 1uht s THR 78 Cb 0.00 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 1uht s THR 78 CO 0.00 0.40 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.40 1uht s LEU 79 N -1.40 2.64 -0.28 4.42 1.43 -0.08 0.08 118.68 125.49 1uht s LEU 79 Ca 0.17 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1uht s LEU 79 Cb -0.11 -1.54 0.08 0.00 0.03 0.00 0.00 46.19 44.66 1uht s LEU 79 CO 0.07 0.25 0.03 -0.22 0.23 0.00 0.00 176.35 176.71 1uht s LEU 80 N -1.51 2.87 0.00 1.79 2.96 0.18 -0.89 118.68 124.08 1uht s LEU 80 Ca 0.15 -1.55 0.00 0.00 -0.22 0.00 0.00 54.13 52.51 1uht s LEU 80 Cb -0.11 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.45 1uht s LEU 80 CO 0.06 -0.34 0.00 0.59 -1.32 0.00 0.00 176.35 175.34 1uht n ASN 81 N 4.66 0.00 -2.49 3.68 3.02 0.34 -1.88 115.26 122.59 1uht n ASN 81 Ca -0.04 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.47 1uht n ASN 81 Cb 0.43 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.69 1uht n ASN 81 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1uht n SER 82 N 1.63 -1.32 -3.67 6.41 3.41 -1.26 -4.93 113.62 113.89 1uht n SER 82 Ca 0.00 -2.03 -0.11 0.00 -0.26 0.00 0.00 58.87 56.48 1uht n SER 82 Cb 0.00 0.71 -0.09 0.00 -0.26 0.00 0.00 64.21 64.57 1uht n SER 82 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1uht s ASN 83 N -0.86 -0.69 -0.12 4.04 0.01 -0.79 -5.13 114.94 111.39 1uht s ASN 83 Ca 0.10 1.21 -0.29 0.00 -0.71 0.00 0.00 52.86 53.17 1uht s ASN 83 Cb 0.32 1.15 -0.02 0.00 0.41 0.00 0.00 41.25 43.11 1uht s ASN 83 CO -0.09 -0.21 1.17 0.00 -1.51 0.00 0.00 177.10 176.46 1uht s ALA 84 N 1.01 3.56 1.20 0.60 0.00 -1.26 0.52 121.76 127.39 1uht s ALA 84 Ca -0.06 0.46 -0.19 0.00 0.00 0.00 0.00 51.96 52.18 1uht s ALA 84 Cb -0.05 -3.54 0.28 0.00 0.00 0.00 0.00 23.12 19.81 1uht s ALA 84 CO -0.09 -0.91 1.09 -0.51 0.00 0.00 0.00 175.76 175.33 1uht s LEU 85 N 2.74 0.62 0.06 0.00 1.43 0.11 -4.94 118.68 118.70 1uht s LEU 85 Ca 0.52 0.74 0.06 0.00 -1.03 0.00 0.00 54.13 54.42 1uht s LEU 85 Cb -0.21 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 1uht s LEU 85 CO 0.17 -4.15 -0.16 -0.62 0.23 0.00 0.00 176.35 171.82 1uht s ASP 86 N -3.73 1.93 0.15 2.29 2.15 -1.26 -4.74 116.67 113.46 1uht s ASP 86 Ca 0.70 -0.54 -0.02 0.00 0.43 0.00 0.00 52.55 53.11 1uht s ASP 86 Cb -0.11 -0.11 -0.03 0.00 -0.30 0.00 0.00 42.92 42.36 1uht s ASP 86 CO 0.57 0.03 1.36 1.55 -0.17 0.00 0.00 175.17 178.50 1uht h PRO 87 N 4.63 0.38 -0.84 4.34 0.13 -1.98 -3.04 132.00 135.61 1uht h PRO 87 Ca -0.41 -0.37 -0.11 0.00 -0.87 0.00 0.00 66.00 64.24 1uht h PRO 87 Cb 1.18 0.10 -0.06 0.00 0.13 0.00 0.00 31.00 32.34 1uht h PRO 87 CO 0.42 1.04 0.14 0.39 -0.23 0.00 0.00 178.00 179.76 1uht n GLU 88 N -3.77 2.72 -3.71 0.86 1.02 -1.26 -4.70 120.64 111.80 1uht n GLU 88 Ca -0.05 -1.80 -0.13 0.00 -0.02 0.00 0.00 57.16 55.16 1uht n GLU 88 Cb 0.79 -1.85 -0.09 0.00 -0.02 0.00 0.00 31.44 30.26 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 -1.98 0.00 -0.13 2.62 2.01 -1.15 -5.15 115.64 111.86 1uht s THR 89 Ca 0.32 -0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.34 1uht s THR 89 Cb 0.25 -0.66 0.01 0.00 0.01 0.00 0.00 72.50 72.11 1uht s THR 89 CO 0.08 -0.00 -0.21 -0.55 -0.69 0.00 0.00 174.62 173.25 1uht s SER 90 N 0.23 2.97 0.04 3.53 0.15 -1.26 -4.27 113.70 115.09 1uht s SER 90 Ca -0.00 -0.56 -0.00 0.00 0.70 0.00 0.00 55.95 56.08 1uht s SER 90 Cb -0.03 -1.37 -0.04 0.00 -1.71 0.00 0.00 66.02 62.87 1uht s SER 90 CO 0.01 0.07 0.17 -0.69 1.20 0.00 0.00 173.24 174.00 1uht s VAL 91 N 0.83 5.22 -0.38 4.45 1.01 -1.02 -4.88 120.40 125.63 1uht s VAL 91 Ca -0.08 -0.38 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 1uht s VAL 91 Cb -0.15 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1uht s VAL 91 CO -0.01 0.21 0.92 0.54 0.00 0.00 0.00 175.10 176.76 1uht s ASN 92 N -2.27 6.65 1.02 3.32 4.22 -1.26 -0.07 114.94 126.55 1uht s ASN 92 Ca 0.31 0.51 -0.16 0.00 -2.14 0.00 0.00 52.86 51.37 1uht s ASN 92 Cb -0.13 -2.46 0.02 0.00 1.28 0.00 0.00 41.25 39.96 1uht s ASN 92 CO 0.23 -0.88 -0.04 0.18 -2.04 0.00 0.00 177.10 174.55 1uht n LEU 93 N 6.83 -1.89 -4.00 3.54 4.77 0.11 -4.90 117.00 121.46 1uht n LEU 93 Ca 0.07 0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 1uht n LEU 93 Cb 0.48 -1.01 -0.09 0.00 -2.33 0.00 0.00 43.42 40.47 1uht n LEU 93 CO 0.59 -3.67 -0.23 -0.83 -1.33 0.00 0.00 177.39 171.93 1uht s GLY 94 N -1.75 0.39 -0.66 -0.72 0.00 -1.26 -4.73 107.32 98.59 1uht s GLY 94 Ca 0.53 -1.00 -0.27 0.00 0.00 0.00 0.00 44.72 43.98 1uht s GLY 94 CO 0.69 -1.09 1.61 0.51 0.00 0.00 0.00 173.10 174.81 1uht s ASP 95 N -2.92 5.67 0.00 1.64 1.47 -1.26 -2.09 116.67 119.18 1uht s ASP 95 Ca 0.09 0.01 0.00 0.00 1.18 0.00 0.00 52.55 53.83 1uht s ASP 95 Cb 0.06 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 40.10 1uht s ASP 95 CO -0.08 -2.13 0.00 0.61 0.68 0.00 0.00 175.17 174.24 1uht n GLY 96 N 5.55 1.60 3.66 2.12 0.00 0.48 -4.97 105.19 113.64 1uht n GLY 96 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 6.74 -0.22 1.61 1.11 -0.89 -4.80 116.67 118.22 1uht s ASP 97 Ca 0.00 0.90 -0.16 0.00 0.18 0.00 0.00 52.55 53.47 1uht s ASP 97 Cb 0.00 -2.37 -0.04 0.00 1.07 0.00 0.00 42.92 41.59 1uht s ASP 97 CO 0.00 -0.29 0.41 -0.69 1.18 0.00 0.00 175.17 175.78 1uht s VAL 98 N 1.93 5.17 -0.45 -1.27 1.01 -1.26 -0.16 120.40 125.37 1uht s VAL 98 Ca 0.30 0.72 -0.12 0.00 0.00 0.00 0.00 61.98 62.88 1uht s VAL 98 Cb -0.16 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 32.56 1uht s VAL 98 CO 0.11 0.21 0.34 -0.63 0.00 0.00 0.00 175.10 175.13 1uht s ILE 99 N 1.57 4.66 -0.50 2.22 1.01 0.52 0.13 121.20 130.80 1uht s ILE 99 Ca 0.19 -1.33 -0.19 0.00 0.00 0.00 0.00 60.65 59.32 1uht s ILE 99 Cb -0.15 -3.86 0.06 0.00 0.01 0.00 0.00 42.46 38.52 1uht s ILE 99 CO 0.08 -0.59 0.60 -0.54 0.00 0.00 0.00 174.94 174.50 1uht s LYS 100 N 1.51 3.11 0.28 2.79 1.02 -0.07 0.36 119.74 128.73 1uht s LYS 100 Ca 0.04 -0.94 0.07 0.00 0.02 0.00 0.00 55.97 55.16 1uht s LYS 100 Cb -0.24 -4.10 -0.06 0.00 -0.52 0.00 0.00 37.83 32.91 1uht s LYS 100 CO 0.03 -1.20 -0.07 -0.48 -0.92 0.00 0.00 175.35 172.71 1uht s LEU 101 N 2.51 2.50 0.00 3.17 2.34 0.91 -0.91 118.68 129.21 1uht s LEU 101 Ca 0.14 -1.17 0.00 0.00 0.06 0.00 0.00 54.13 53.16 1uht s LEU 101 Cb -0.20 -0.67 0.00 0.00 -0.56 0.00 0.00 46.19 44.76 1uht s LEU 101 CO 0.11 -0.31 0.00 0.61 -1.06 0.00 0.00 176.35 175.71 1uht n GLY 102 N -0.57 1.99 0.01 -3.48 0.00 -1.26 -2.49 105.19 99.38 1uht n GLY 102 Ca -0.06 -0.43 -0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 13.06 0.03 -2.61 1.61 1.02 -1.26 -4.81 120.64 127.68 1uht n GLU 103 Ca 0.00 0.14 -0.17 0.00 -0.02 0.00 0.00 57.16 57.11 1uht n GLU 103 Cb 0.00 -0.69 0.01 0.00 -0.02 0.00 0.00 31.44 30.75 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 -2.53 2.07 -3.94 -0.32 4.01 -1.26 -5.04 117.16 110.14 1uht n TYR 104 Ca -0.01 -2.98 -0.35 0.00 -0.16 0.00 0.00 57.90 54.41 1uht n TYR 104 Cb 0.03 -0.27 -0.14 0.00 -0.31 0.00 0.00 39.34 38.65 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 -4.07 3.00 -0.10 -0.72 2.01 -1.04 0.88 115.64 115.61 1uht s THR 105 Ca 0.36 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.50 1uht s THR 105 Cb 0.43 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 1uht s THR 105 CO -0.06 0.26 -0.20 -0.44 -0.69 0.00 0.00 174.62 173.49 1uht s SER 106 N 1.37 3.47 -0.15 3.53 0.01 -1.24 -0.06 113.70 120.63 1uht s SER 106 Ca 0.02 -0.44 0.02 0.00 1.31 0.00 0.00 55.95 56.85 1uht s SER 106 Cb -0.16 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 64.79 1uht s SER 106 CO -0.04 0.20 -0.20 -0.63 0.41 0.00 0.00 173.24 172.98 1uht s ILE 107 N 0.13 2.21 -0.03 1.44 1.01 0.16 -1.73 121.20 124.37 1uht s ILE 107 Ca -0.10 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.46 1uht s ILE 107 Cb -0.16 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 1uht s ILE 107 CO 0.06 0.54 0.45 -0.22 0.00 0.00 0.00 174.94 175.77 1uht s LEU 108 N 0.90 4.41 -0.26 2.97 0.20 0.54 0.19 118.68 127.62 1uht s LEU 108 Ca -0.05 0.94 -0.10 0.00 0.69 0.00 0.00 54.13 55.62 1uht s LEU 108 Cb -0.15 -2.66 -0.04 0.00 -0.43 0.00 0.00 46.19 42.90 1uht s LEU 108 CO -0.03 0.20 0.15 -0.69 -0.29 0.00 0.00 176.35 175.69 1uht s VAL 109 N -0.45 5.07 -0.08 1.68 1.01 0.77 -0.12 120.40 128.29 1uht s VAL 109 Ca 0.25 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1uht s VAL 109 Cb -0.16 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1uht s VAL 109 CO 0.13 0.29 -0.12 0.20 0.00 0.00 0.00 175.10 175.60 1uht s ASN 110 N 1.58 1.93 -0.47 3.32 0.02 -0.63 0.18 114.94 120.88 1uht s ASN 110 Ca 0.07 -0.32 -0.22 0.00 -1.02 0.00 0.00 52.86 51.37 1uht s ASN 110 Cb -0.15 -0.86 0.03 0.00 0.02 0.00 0.00 41.25 40.28 1uht s ASN 110 CO 0.08 0.01 0.76 -0.36 0.02 0.00 0.00 177.10 177.61 1uht s PHE 111 N 0.87 2.98 -0.44 2.20 0.08 -1.26 -1.61 117.98 120.81 1uht s PHE 111 Ca -0.10 0.02 -0.23 0.00 0.12 0.00 0.00 56.93 56.73 1uht s PHE 111 Cb -0.15 -3.65 0.02 0.00 -0.57 0.00 0.00 43.02 38.67 1uht s PHE 111 CO 0.01 -1.02 0.79 0.08 -0.10 0.00 0.00 175.22 174.98 1uht s VAL 112 N 3.23 4.65 -0.13 -0.44 1.01 -0.85 -4.85 120.40 123.02 1uht s VAL 112 Ca 0.27 0.51 -0.06 0.00 0.00 0.00 0.00 61.98 62.69 1uht s VAL 112 Cb -0.13 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1uht s VAL 112 CO 0.20 -0.69 0.11 -0.55 0.00 0.00 0.00 175.10 174.18 1uht s SER 113 N 2.10 6.13 0.54 3.32 0.15 -1.26 -1.15 113.70 123.54 1uht s SER 113 Ca 0.30 0.37 -0.06 0.00 0.70 0.00 0.00 55.95 57.26 1uht s SER 113 Cb -0.12 -1.96 -0.01 0.00 -1.71 0.00 0.00 66.02 62.21 1uht s SER 113 CO 0.22 0.37 0.86 -0.83 1.20 0.00 0.00 173.24 175.05 1uht s GLY 114 N -0.78 1.56 -1.15 9.45 0.00 -1.26 -4.95 107.32 110.19 1uht s GLY 114 Ca 0.13 -0.60 -0.19 0.00 0.00 0.00 0.00 44.72 44.07 1uht s GLY 114 CO 0.03 -0.37 1.99 -1.55 0.00 0.00 0.00 173.10 173.20 1uht n PRO 115 N -2.45 2.23 -2.67 2.90 -0.04 -1.26 -4.91 135.00 128.80 1uht n PRO 115 Ca 0.03 -2.43 -0.43 0.00 -0.04 0.00 0.00 63.50 60.63 1uht n PRO 115 Cb 0.56 -3.27 -0.02 0.00 -0.04 0.00 0.00 33.50 30.73 1uht n PRO 115 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1uht s SER 116 N 4.54 6.81 0.07 3.54 1.04 -1.26 -5.02 113.70 123.42 1uht s SER 116 Ca 0.55 0.82 0.09 0.00 0.48 0.00 0.00 55.95 57.89 1uht s SER 116 Cb 0.10 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 1uht s SER 116 CO 0.05 -0.96 -0.25 -0.44 0.98 0.00 0.00 173.24 172.62 1uht s SER 117 N 1.88 3.07 0.00 7.02 0.01 -1.26 -5.19 113.70 119.24 1uht s SER 117 Ca 0.44 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1uht s SER 117 Cb -0.11 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.87 1uht s SER 117 CO 0.20 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.67