#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 -0.36 0.68 1.61 0.01 -1.26 -5.17 113.70 109.21 1uht s SER 2 Ca 0.00 0.47 -0.09 0.00 1.31 0.00 0.00 55.95 57.64 1uht s SER 2 Cb 0.00 0.39 0.03 0.00 0.21 0.00 0.00 66.02 66.65 1uht s SER 2 CO 0.00 -0.28 1.02 -0.44 0.41 0.00 0.00 173.24 173.95 1uht s SER 3 N -0.83 5.24 0.00 2.44 0.01 -1.26 -5.10 113.70 114.20 1uht s SER 3 Ca -0.00 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.06 1uht s SER 3 Cb -0.01 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.62 1uht s SER 3 CO -0.01 -1.38 0.00 0.61 0.41 0.00 0.00 173.24 172.88 1uht n GLY 4 N -2.89 1.84 3.69 3.44 0.00 -1.26 -5.09 105.19 104.92 1uht n GLY 4 Ca 0.06 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 1uht n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uht s SER 5 N -1.00 2.81 0.05 1.61 1.04 -1.26 -5.07 113.70 111.88 1uht s SER 5 Ca 0.00 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1uht s SER 5 Cb 0.00 -1.94 -0.03 0.00 0.10 0.00 0.00 66.02 64.15 1uht s SER 5 CO 0.00 -3.02 -0.05 -0.55 0.98 0.00 0.00 173.24 170.60 1uht s SER 6 N -3.44 0.61 0.96 7.02 0.15 -1.26 -5.17 113.70 112.57 1uht s SER 6 Ca 0.65 -0.75 -0.05 0.00 0.70 0.00 0.00 55.95 56.50 1uht s SER 6 Cb -0.18 0.11 0.08 0.00 -1.71 0.00 0.00 66.02 64.32 1uht s SER 6 CO 0.57 -0.40 0.46 0.61 1.20 0.00 0.00 173.24 175.69 1uht n GLY 7 N 0.84 -1.10 2.51 9.45 0.00 -1.26 -5.08 105.19 110.55 1uht n GLY 7 Ca -0.19 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 1uht n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1uht s MET 8 N -3.97 0.35 0.15 1.61 -2.45 -1.26 -5.13 119.30 108.59 1uht s MET 8 Ca 0.26 -0.86 -0.00 0.00 -1.25 0.00 0.00 55.69 53.84 1uht s MET 8 Cb -0.01 -1.20 0.03 0.00 1.25 0.00 0.00 34.83 34.90 1uht s MET 8 CO 0.18 -1.10 0.20 1.33 1.05 0.00 0.00 175.02 176.68 1uht n VAL 9 N 4.73 0.00 -1.66 10.11 0.24 -1.26 -4.98 118.33 125.51 1uht n VAL 9 Ca 0.02 -0.30 -0.51 0.00 -2.04 0.00 0.00 64.34 61.50 1uht n VAL 9 Cb 0.40 -1.33 -0.06 0.00 -1.47 0.00 0.00 33.84 31.38 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 -1.73 0.19 -2.03 3.34 -1.04 -1.26 -4.92 114.28 106.83 1uht n THR 10 Ca 0.03 -0.03 -0.32 0.00 -2.04 0.00 0.00 64.05 61.68 1uht n THR 10 Cb 0.12 -1.28 0.01 0.00 -1.82 0.00 0.00 70.33 67.35 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 2.07 3.35 0.40 -2.82 0.04 -1.26 -4.79 135.00 131.99 1uht s PRO 11 Ca 0.89 1.14 -0.25 0.00 0.04 0.00 0.00 61.00 62.82 1uht s PRO 11 Cb -0.88 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 31.54 1uht s PRO 11 CO 0.51 -0.78 1.13 0.45 0.04 0.00 0.00 177.00 178.35 1uht s SER 12 N -2.94 6.56 -0.41 6.66 0.15 -0.81 -4.65 113.70 118.26 1uht s SER 12 Ca 0.62 2.25 -0.19 0.00 0.70 0.00 0.00 55.95 59.33 1uht s SER 12 Cb -0.15 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.57 1uht s SER 12 CO 0.38 -0.64 0.57 -0.22 1.20 0.00 0.00 173.24 174.53 1uht s LEU 13 N -2.58 4.52 -0.25 3.45 1.98 -1.06 -2.35 118.68 122.39 1uht s LEU 13 Ca 0.58 -0.30 -0.03 0.00 -2.89 0.00 0.00 54.13 51.48 1uht s LEU 13 Cb -0.28 -2.63 0.02 0.00 0.66 0.00 0.00 46.19 43.96 1uht s LEU 13 CO 0.35 -0.66 -0.03 -0.60 -1.89 0.00 0.00 176.35 173.52 1uht s ARG 14 N 2.58 2.95 -0.43 1.98 3.52 -0.71 -1.13 118.95 127.70 1uht s ARG 14 Ca 0.20 -0.91 -0.17 0.00 -0.13 0.00 0.00 55.73 54.72 1uht s ARG 14 Cb -0.15 -3.06 0.03 0.00 -1.56 0.00 0.00 34.95 30.21 1uht s ARG 14 CO 0.16 -0.38 0.43 -0.51 -0.81 0.00 0.00 175.30 174.19 1uht s LEU 15 N 1.38 4.97 -0.23 -0.88 1.43 -0.45 -1.82 118.68 123.08 1uht s LEU 15 Ca 0.01 -0.78 -0.10 0.00 -1.03 0.00 0.00 54.13 52.24 1uht s LEU 15 Cb -0.16 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 1uht s LEU 15 CO -0.03 -0.60 0.13 -0.69 0.23 0.00 0.00 176.35 175.39 1uht s VAL 16 N 2.08 5.13 -1.00 -1.59 1.01 -0.01 -0.51 120.40 125.51 1uht s VAL 16 Ca 0.11 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.97 1uht s VAL 16 Cb -0.18 -3.38 0.08 0.00 0.00 0.00 0.00 36.38 32.90 1uht s VAL 16 CO 0.12 0.37 1.35 -0.36 0.00 0.00 0.00 175.10 176.58 1uht s PHE 17 N 0.97 2.74 0.22 5.22 0.08 0.53 0.11 117.98 127.86 1uht s PHE 17 Ca 0.06 -1.06 0.07 0.00 0.12 0.00 0.00 56.93 56.13 1uht s PHE 17 Cb -0.13 -4.56 0.17 0.00 -0.57 0.00 0.00 43.02 37.93 1uht s PHE 17 CO 0.03 -1.78 1.50 -0.39 -0.10 0.00 0.00 175.22 174.49 1uht h VAL 18 N 6.42 1.48 -2.74 -0.44 -1.51 -1.66 0.77 116.25 118.57 1uht h VAL 18 Ca 0.19 -2.39 -0.05 0.00 -1.23 0.00 0.00 66.70 63.23 1uht h VAL 18 Cb 1.01 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 32.44 1uht h VAL 18 CO 1.32 0.69 -0.04 0.29 -1.23 0.00 0.00 177.57 178.60 1uht n LYS 19 N -3.72 0.53 0.00 5.19 5.02 -1.01 -4.65 118.16 119.52 1uht n LYS 19 Ca -0.02 -0.31 0.00 0.00 -2.02 0.00 0.00 58.31 55.97 1uht n LYS 19 Cb 0.70 0.20 0.00 0.00 -0.02 0.00 0.00 35.03 35.92 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 1.14 -2.23 0.23 0.72 0.00 0.96 -2.83 105.19 103.18 1uht n GLY 20 Ca 0.00 -1.63 0.14 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.26 1.61 0.13 -1.86 -2.61 132.00 129.01 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 -2.96 2.23 -1.51 0.86 1.74 -1.26 -4.96 116.66 110.80 1uht n ARG 22 Ca 0.03 -1.85 -0.64 0.00 -0.77 0.00 0.00 57.85 54.62 1uht n ARG 22 Cb 0.40 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.26 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 1.09 0.05 0.00 5.56 0.00 -0.99 -0.06 120.64 126.29 1uht n GLU 23 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.35 1uht n GLU 23 Cb 0.52 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 30.43 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 5.67 0.89 3.92 8.31 0.00 0.27 -4.97 105.19 119.29 1uht n GLY 24 Ca 0.42 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.13 6.19 -0.18 1.61 1.01 0.91 -4.92 116.67 120.17 1uht s ASP 25 Ca 0.00 0.09 -0.16 0.00 0.71 0.00 0.00 52.55 53.19 1uht s ASP 25 Cb 0.00 -1.81 0.05 0.00 1.01 0.00 0.00 42.92 42.16 1uht s ASP 25 CO 0.00 0.02 0.47 0.00 0.21 0.00 0.00 175.17 175.88 1uht s ALA 26 N -1.81 -1.17 0.35 5.23 0.00 -1.26 0.20 121.76 123.31 1uht s ALA 26 Ca 0.34 1.37 0.05 0.00 0.00 0.00 0.00 51.96 53.72 1uht s ALA 26 Cb -0.10 -0.80 -0.07 0.00 0.00 0.00 0.00 23.12 22.15 1uht s ALA 26 CO 0.28 -0.23 0.05 -0.51 0.00 0.00 0.00 175.76 175.34 1uht s LEU 27 N 0.39 2.36 -0.04 0.00 1.43 0.33 -4.96 118.68 118.18 1uht s LEU 27 Ca -0.01 -1.39 -0.13 0.00 -1.03 0.00 0.00 54.13 51.56 1uht s LEU 27 Cb -0.04 -0.51 0.02 0.00 0.03 0.00 0.00 46.19 45.69 1uht s LEU 27 CO -0.01 -0.58 0.30 1.51 0.23 0.00 0.00 176.35 177.80 1uht s ASP 28 N -3.56 -0.22 0.24 2.29 -4.77 -1.26 -1.34 116.67 108.06 1uht s ASP 28 Ca 0.35 0.22 -0.05 0.00 -3.30 0.00 0.00 52.55 49.77 1uht s ASP 28 Cb 0.09 0.40 -0.02 0.00 -1.09 0.00 0.00 42.92 42.29 1uht s ASP 28 CO 0.16 -0.35 0.31 -0.31 0.70 0.00 0.00 175.17 175.67 1uht s TYR 29 N -0.94 0.89 0.46 2.11 1.51 -0.29 -4.99 117.35 116.11 1uht s TYR 29 Ca -0.10 -1.15 0.01 0.00 -1.01 0.00 0.00 57.07 54.82 1uht s TYR 29 Cb -0.05 -0.24 0.00 0.00 -0.11 0.00 0.00 41.96 41.57 1uht s TYR 29 CO 0.03 -0.84 0.67 0.15 -1.11 0.00 0.00 175.55 174.45 1uht s LYS 30 N -3.93 3.00 0.05 -0.62 1.02 -1.26 -2.57 119.74 115.43 1uht s LYS 30 Ca 0.32 -0.55 -0.31 0.00 0.02 0.00 0.00 55.97 55.46 1uht s LYS 30 Cb 0.03 -2.56 -0.05 0.00 -0.52 0.00 0.00 37.83 34.73 1uht s LYS 30 CO 0.13 -0.31 1.17 -1.25 -0.92 0.00 0.00 175.35 174.17 1uht s PRO 31 N -4.56 4.45 0.00 -1.68 0.04 -1.26 -3.04 135.00 128.95 1uht s PRO 31 Ca 0.49 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1uht s PRO 31 Cb -0.10 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1uht s PRO 31 CO 0.38 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.60 1uht n GLY 32 N 3.17 0.94 3.22 0.56 0.00 -1.26 -5.06 105.19 106.76 1uht n GLY 32 Ca 0.08 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.03 5.16 0.01 1.61 0.01 -1.17 -4.94 113.70 112.34 1uht s SER 33 Ca 0.00 -1.25 -0.30 0.00 1.31 0.00 0.00 55.95 55.70 1uht s SER 33 Cb 0.00 -1.81 -0.07 0.00 0.21 0.00 0.00 66.02 64.35 1uht s SER 33 CO 0.00 -0.32 1.61 -0.89 0.41 0.00 0.00 173.24 174.05 1uht s THR 34 N 1.33 3.36 -0.60 1.44 2.01 -1.26 -4.76 115.64 117.16 1uht s THR 34 Ca -0.02 0.67 -0.07 0.00 0.31 0.00 0.00 61.69 62.57 1uht s THR 34 Cb -0.20 -3.43 0.15 0.00 0.01 0.00 0.00 72.50 69.04 1uht s THR 34 CO 0.01 -0.02 0.45 -0.63 -0.69 0.00 0.00 174.62 173.74 1uht s ILE 35 N 3.15 4.21 -0.53 1.82 1.09 0.30 -4.86 121.20 126.37 1uht s ILE 35 Ca 0.72 -2.41 -0.28 0.00 -1.10 0.00 0.00 60.65 57.58 1uht s ILE 35 Cb -0.36 -3.73 0.02 0.00 -1.06 0.00 0.00 42.46 37.34 1uht s ILE 35 CO 0.30 -0.86 1.27 -0.13 -0.10 0.00 0.00 174.94 175.42 1uht s ARG 36 N 0.54 3.51 -0.28 2.79 0.52 -1.26 -0.39 118.95 124.38 1uht s ARG 36 Ca 0.13 0.46 -0.19 0.00 -0.52 0.00 0.00 55.73 55.61 1uht s ARG 36 Cb -0.20 -4.02 -0.02 0.00 0.52 0.00 0.00 34.95 31.22 1uht s ARG 36 CO -0.04 -1.67 0.55 0.08 0.02 0.00 0.00 175.30 174.24 1uht s VAL 37 N 5.21 5.03 0.00 3.52 1.01 -0.88 0.95 120.40 135.24 1uht s VAL 37 Ca 0.49 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.31 1uht s VAL 37 Cb -0.09 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1uht s VAL 37 CO 0.28 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1uht n GLY 38 N 4.42 5.43 0.00 4.51 0.00 0.99 -2.57 105.19 117.97 1uht n GLY 38 Ca -0.03 -1.23 0.02 0.00 0.00 0.00 0.00 46.02 44.78 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 5.65 -4.08 1.61 0.63 -0.95 -2.26 116.66 117.27 1uht n ARG 39 Ca 0.00 -0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.67 1uht n ARG 39 Cb 0.00 -0.68 -0.17 0.00 0.45 0.00 0.00 32.46 32.06 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 -1.37 1.03 0.54 5.15 -4.36 -1.26 -4.20 121.20 116.73 1uht s ILE 40 Ca 0.01 -0.32 0.24 0.00 -0.26 0.00 0.00 60.65 60.32 1uht s ILE 40 Cb 0.03 -1.02 0.36 0.00 1.25 0.00 0.00 42.46 43.08 1uht s ILE 40 CO 0.15 0.36 2.06 -0.37 0.24 0.00 0.00 174.94 177.37 1uht h VAL 41 N 6.13 0.73 0.00 8.37 -1.51 -1.87 -3.25 116.25 124.84 1uht h VAL 41 Ca -0.30 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1uht h VAL 41 Cb 1.15 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 1uht h VAL 41 CO 0.42 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 177.30 1uht n ARG 42 N -4.26 0.00 -2.54 5.19 3.00 -1.26 -2.30 116.66 114.49 1uht n ARG 42 Ca 0.05 0.02 -0.41 0.00 -0.01 0.00 0.00 57.85 57.49 1uht n ARG 42 Cb 0.41 -0.34 0.02 0.00 0.00 0.00 0.00 32.46 32.55 1uht n ARG 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1uht n GLY 43 N -0.04 6.03 3.64 -0.13 0.00 -1.24 -4.89 105.19 108.57 1uht n GLY 43 Ca 0.00 -2.54 -0.09 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.21 -0.63 0.36 1.61 0.01 -0.97 -4.93 114.94 109.16 1uht s ASN 44 Ca 0.41 1.13 0.04 0.00 -0.71 0.00 0.00 52.86 53.73 1uht s ASN 44 Cb 0.21 1.19 0.66 0.00 0.41 0.00 0.00 41.25 43.73 1uht s ASN 44 CO -0.15 -0.19 1.97 -0.08 -1.51 0.00 0.00 177.10 177.14 1uht h GLU 45 N 5.32 0.67 -3.69 -0.60 4.57 0.33 -3.41 114.58 117.77 1uht h GLU 45 Ca -0.29 -0.08 -0.28 0.00 -1.18 0.00 0.00 59.36 57.54 1uht h GLU 45 Cb 1.19 -0.13 -0.31 0.00 -0.16 0.00 0.00 28.75 29.33 1uht h GLU 45 CO 0.12 0.52 -0.73 0.42 -1.18 0.00 0.00 179.01 178.16 1uht s ILE 46 N -5.40 0.03 -0.03 2.32 1.01 -0.91 -4.94 121.20 113.27 1uht s ILE 46 Ca -0.09 0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.70 1uht s ILE 46 Cb 0.17 -0.10 -0.01 0.00 0.01 0.00 0.00 42.46 42.53 1uht s ILE 46 CO 0.76 0.06 -0.19 0.00 0.00 0.00 0.00 174.94 175.58 1uht s ALA 47 N 0.55 1.61 -0.08 9.38 0.00 -1.26 -0.01 121.76 131.95 1uht s ALA 47 Ca -0.05 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1uht s ALA 47 Cb -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1uht s ALA 47 CO -0.01 0.34 -0.20 0.42 0.00 0.00 0.00 175.76 176.30 1uht s ILE 48 N -0.20 1.76 -1.23 0.00 1.01 -0.96 -4.87 121.20 116.72 1uht s ILE 48 Ca 0.01 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 1uht s ILE 48 Cb -0.10 -1.53 0.20 0.00 0.01 0.00 0.00 42.46 41.04 1uht s ILE 48 CO 0.01 0.49 1.86 0.29 0.00 0.00 0.00 174.94 177.59 1uht n LYS 49 N 3.47 4.02 0.00 2.79 4.76 -1.26 -4.35 118.16 127.59 1uht n LYS 49 Ca -0.20 -3.79 0.02 0.00 -2.87 0.00 0.00 58.31 51.47 1uht n LYS 49 Cb 0.53 -2.77 -0.02 0.00 -1.84 0.00 0.00 35.03 30.92 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 2.84 0.33 0.00 4.39 2.03 -1.26 -4.78 116.55 120.10 1uht n ASP 50 Ca 0.40 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 55.05 1uht n ASP 50 Cb 0.34 0.90 0.00 0.00 -0.72 0.00 0.00 41.12 41.64 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 -0.97 0.00 0.02 -1.67 0.00 -1.26 -4.56 120.51 112.07 1uht n ALA 51 Ca 0.01 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.66 1uht n ALA 51 Cb 0.07 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.08 1uht n ALA 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1uht h GLY 52 N 0.00 0.00 -5.02 0.00 0.00 -1.93 -3.37 103.07 92.75 1uht h GLY 52 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1uht h GLY 52 CO 0.00 0.00 -0.22 -0.42 0.00 0.00 0.00 176.54 175.90 1uht s ILE 53 N -4.41 5.06 0.21 2.60 1.01 -1.26 -4.32 121.20 120.08 1uht s ILE 53 Ca -0.03 0.79 0.06 0.00 0.00 0.00 0.00 60.65 61.46 1uht s ILE 53 Cb 0.12 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1uht s ILE 53 CO 0.42 0.57 0.20 -0.55 0.00 0.00 0.00 174.94 175.58 1uht s SER 54 N -1.11 5.69 0.22 3.58 0.15 -1.26 -4.59 113.70 116.38 1uht s SER 54 Ca 0.24 -0.13 -0.13 0.00 0.70 0.00 0.00 55.95 56.63 1uht s SER 54 Cb -0.16 -1.52 0.27 0.00 -1.71 0.00 0.00 66.02 62.90 1uht s SER 54 CO 0.13 0.01 1.39 0.35 1.20 0.00 0.00 173.24 176.32 1uht n THR 55 N -0.81 -0.45 -3.30 6.45 -2.24 -1.26 -1.27 114.28 111.40 1uht n THR 55 Ca -0.08 2.09 -0.30 0.00 -2.27 0.00 0.00 64.05 63.49 1uht n THR 55 Cb 0.56 -2.79 -0.06 0.00 -2.10 0.00 0.00 70.33 65.94 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 -5.36 2.99 0.14 -0.78 4.01 -1.26 -3.23 118.16 114.67 1uht n LYS 56 Ca 0.11 -4.67 -0.06 0.00 -0.51 0.00 0.00 58.31 53.17 1uht n LYS 56 Cb 0.38 -2.31 -0.03 0.00 -0.51 0.00 0.00 35.03 32.57 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 4.31 -0.36 -3.60 2.13 2.76 -1.30 -3.45 115.15 115.63 1uht h HIS 57 Ca 0.20 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.28 1uht h HIS 57 Cb 0.63 0.12 -0.08 0.00 1.55 0.00 0.00 27.41 29.64 1uht h HIS 57 CO 0.79 -0.23 -0.06 -0.48 -1.30 0.00 0.00 177.93 176.66 1uht s LEU 58 N -6.91 0.35 0.03 0.26 0.05 -1.06 -2.49 118.68 108.90 1uht s LEU 58 Ca -0.06 -1.02 0.03 0.00 0.05 0.00 0.00 54.13 53.14 1uht s LEU 58 Cb 0.01 1.92 -0.02 0.00 -2.05 0.00 0.00 46.19 46.04 1uht s LEU 58 CO 0.17 -1.24 -0.09 0.00 -0.55 0.00 0.00 176.35 174.64 1uht s ARG 59 N -3.67 0.65 -0.11 1.48 1.70 -1.15 -2.07 118.95 115.78 1uht s ARG 59 Ca 0.22 -0.59 -0.01 0.00 -0.47 0.00 0.00 55.73 54.88 1uht s ARG 59 Cb -0.02 -0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 33.78 1uht s ARG 59 CO 0.11 0.13 -0.07 0.42 -1.08 0.00 0.00 175.30 174.81 1uht s ILE 60 N -0.83 3.61 0.16 4.99 1.01 0.48 -3.21 121.20 127.42 1uht s ILE 60 Ca -0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 1uht s ILE 60 Cb -0.07 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 1uht s ILE 60 CO 0.01 0.54 0.16 -1.83 0.00 0.00 0.00 174.94 173.82 1uht s GLU 61 N -0.13 1.10 -0.01 2.79 4.04 -1.07 0.11 118.70 125.52 1uht s GLU 61 Ca 0.01 -1.41 0.04 0.00 0.04 0.00 0.00 54.97 53.66 1uht s GLU 61 Cb -0.13 0.30 -0.01 0.00 0.02 0.00 0.00 34.13 34.31 1uht s GLU 61 CO 0.03 -0.36 -0.14 0.45 -1.84 0.00 0.00 175.26 173.39 1uht s SER 62 N -3.06 1.71 0.05 0.83 0.15 -1.26 -0.70 113.70 111.43 1uht s SER 62 Ca 0.26 -0.27 -0.06 0.00 0.70 0.00 0.00 55.95 56.58 1uht s SER 62 Cb 0.06 -0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 64.13 1uht s SER 62 CO 0.05 0.17 0.11 -1.81 1.20 0.00 0.00 173.24 172.96 1uht s ASP 63 N -0.28 0.18 -1.10 5.45 1.01 0.27 -4.72 116.67 117.48 1uht s ASP 63 Ca 0.04 -0.57 -0.24 0.00 0.71 0.00 0.00 52.55 52.49 1uht s ASP 63 Cb -0.06 0.25 0.03 0.00 1.01 0.00 0.00 42.92 44.15 1uht s ASP 63 CO -0.00 -0.56 0.67 -1.20 0.21 0.00 0.00 175.17 174.29 1uht n SER 64 N 0.58 -4.41 -4.51 0.27 7.64 -1.26 0.94 113.62 112.85 1uht n SER 64 Ca -0.18 -1.19 -0.42 0.00 1.01 0.00 0.00 58.87 58.09 1uht n SER 64 Cb 0.59 -1.75 -0.08 0.00 -1.01 0.00 0.00 64.21 61.96 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 -1.96 -0.39 3.32 0.23 0.00 -1.26 -4.87 105.19 100.28 1uht n GLY 65 Ca -0.17 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.27 0.07 0.00 1.61 -0.87 0.27 -4.73 114.94 108.01 1uht s ASN 66 Ca 0.80 -0.93 0.05 0.00 -1.57 0.00 0.00 52.86 51.21 1uht s ASN 66 Cb -0.47 0.43 -0.03 0.00 -0.02 0.00 0.00 41.25 41.16 1uht s ASN 66 CO 1.02 -0.89 -0.13 0.26 -2.57 0.00 0.00 177.10 174.80 1uht s TRP 67 N -3.99 2.72 0.03 2.20 0.52 -1.26 0.94 118.94 120.11 1uht s TRP 67 Ca 0.19 -0.15 -0.01 0.00 0.02 0.00 0.00 56.10 56.16 1uht s TRP 67 Cb 0.04 -1.56 -0.03 0.00 -1.15 0.00 0.00 33.47 30.77 1uht s TRP 67 CO 0.01 0.28 -0.02 0.14 0.02 0.00 0.00 176.95 177.38 1uht s VAL 68 N -0.90 0.15 0.06 4.03 -7.23 0.12 0.31 120.40 116.94 1uht s VAL 68 Ca 0.15 -1.24 0.09 0.00 -1.81 0.00 0.00 61.98 59.17 1uht s VAL 68 Cb -0.11 -0.75 -0.03 0.00 0.56 0.00 0.00 36.38 36.06 1uht s VAL 68 CO 0.05 -0.68 -0.25 -0.51 -0.31 0.00 0.00 175.10 173.39 1uht s ILE 69 N -2.40 2.06 -0.04 -0.62 2.07 0.80 -2.59 121.20 120.49 1uht s ILE 69 Ca -0.07 -1.41 -0.02 0.00 -1.41 0.00 0.00 60.65 57.75 1uht s ILE 69 Cb -0.03 -1.78 0.03 0.00 0.13 0.00 0.00 42.46 40.81 1uht s ILE 69 CO -0.04 0.30 0.06 -1.58 -1.91 0.00 0.00 174.94 171.76 1uht s GLN 70 N -1.34 -0.06 -0.54 3.50 0.74 -1.20 -2.40 119.66 118.36 1uht s GLN 70 Ca 0.11 0.33 -0.27 0.00 0.05 0.00 0.00 55.36 55.59 1uht s GLN 70 Cb -0.10 -0.41 0.03 0.00 1.10 0.00 0.00 33.01 33.64 1uht s GLN 70 CO 0.03 -0.28 1.07 0.34 -0.55 0.00 0.00 175.29 175.90 1uht s ASP 71 N 1.82 6.44 -0.77 6.67 2.15 -1.25 -2.94 116.67 128.80 1uht s ASP 71 Ca 0.00 0.01 -0.08 0.00 0.43 0.00 0.00 52.55 52.91 1uht s ASP 71 Cb -0.12 -2.50 -0.07 0.00 -0.30 0.00 0.00 42.92 39.93 1uht s ASP 71 CO -0.03 -1.31 1.94 0.18 -0.17 0.00 0.00 175.17 175.77 1uht n LEU 72 N 7.87 4.15 -4.19 -1.34 4.32 -1.04 -3.67 117.00 123.10 1uht n LEU 72 Ca 0.06 -2.64 -0.35 0.00 -0.02 0.00 0.00 56.01 53.06 1uht n LEU 72 Cb 0.48 -1.02 -0.08 0.00 -1.62 0.00 0.00 43.42 41.19 1uht n LEU 72 CO 0.68 0.20 -0.23 0.61 -1.22 0.00 0.00 177.39 177.43 1uht n GLY 73 N 3.93 -0.28 3.27 -0.72 0.00 -1.26 -4.76 105.19 105.37 1uht n GLY 73 Ca 0.40 0.09 -0.34 0.00 0.00 0.00 0.00 46.02 46.17 1uht n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uht n SER 74 N -2.23 -3.02 -3.72 1.61 3.41 -1.23 -4.80 113.62 103.63 1uht n SER 74 Ca -0.01 0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.37 1uht n SER 74 Cb 0.47 -1.02 -0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1uht n SER 74 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1uht n SER 75 N -0.08 5.95 0.00 4.04 7.64 -1.26 -3.85 113.62 126.06 1uht n SER 75 Ca 0.03 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 56.85 1uht n SER 75 Cb 0.57 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1uht n SER 75 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1uht n ASN 76 N 3.51 0.00 0.00 6.43 3.02 -1.26 -5.00 115.26 121.95 1uht n ASN 76 Ca 0.49 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1uht n ASN 76 Cb 0.33 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 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 2.88 3.90 7.41 0.00 -1.25 -5.08 105.19 113.05 1uht n GLY 77 Ca 0.00 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.57 5.33 0.01 2.61 2.01 -1.26 -4.59 115.64 118.18 1uht s THR 78 Ca 0.00 -0.10 0.08 0.00 0.31 0.00 0.00 61.69 61.98 1uht s THR 78 Cb 0.00 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 1uht s THR 78 CO 0.00 0.22 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.14 1uht s LEU 79 N -2.22 2.10 -0.29 4.42 1.43 -0.30 0.13 118.68 123.95 1uht s LEU 79 Ca 0.33 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1uht s LEU 79 Cb -0.13 -1.27 0.09 0.00 0.03 0.00 0.00 46.19 44.91 1uht s LEU 79 CO 0.22 0.28 0.04 -0.22 0.23 0.00 0.00 176.35 176.90 1uht s LEU 80 N -0.86 2.93 0.00 1.79 2.96 0.13 -0.85 118.68 124.78 1uht s LEU 80 Ca 0.10 -1.59 0.00 0.00 -0.22 0.00 0.00 54.13 52.42 1uht s LEU 80 Cb -0.10 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.45 1uht s LEU 80 CO 0.00 -0.35 0.00 0.59 -1.32 0.00 0.00 176.35 175.28 1uht n ASN 81 N 4.65 0.00 -2.71 3.68 3.02 0.14 -2.53 115.26 121.52 1uht n ASN 81 Ca -0.04 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.44 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 -1.20 -2.62 0.00 0.00 177.26 173.44 1uht n SER 82 N 1.38 -2.06 -3.64 6.41 7.64 -1.26 -4.95 113.62 117.13 1uht n SER 82 Ca 0.00 -3.15 -0.03 0.00 1.01 0.00 0.00 58.87 56.70 1uht n SER 82 Cb 0.00 1.63 -0.07 0.00 -1.01 0.00 0.00 64.21 64.76 1uht n SER 82 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1uht s ASN 83 N -1.06 -0.35 -0.17 6.43 2.47 -1.05 -5.13 114.94 116.07 1uht s ASN 83 Ca 0.21 0.60 -0.29 0.00 0.42 0.00 0.00 52.86 53.79 1uht s ASN 83 Cb 0.30 0.95 -0.01 0.00 -1.45 0.00 0.00 41.25 41.04 1uht s ASN 83 CO -0.08 -0.10 1.12 0.00 -3.72 0.00 0.00 177.10 174.32 1uht s ALA 84 N 0.85 3.61 0.98 1.71 0.00 -1.26 0.17 121.76 127.82 1uht s ALA 84 Ca -0.04 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.15 1uht s ALA 84 Cb -0.04 -3.55 0.18 0.00 0.00 0.00 0.00 23.12 19.71 1uht s ALA 84 CO -0.12 -0.98 1.08 -0.51 0.00 0.00 0.00 175.76 175.24 1uht s LEU 85 N 2.97 1.93 0.15 0.00 1.43 0.35 -4.95 118.68 120.55 1uht s LEU 85 Ca 0.49 1.59 0.10 0.00 -1.03 0.00 0.00 54.13 55.28 1uht s LEU 85 Cb -0.19 -3.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 1uht s LEU 85 CO 0.12 -3.17 -0.22 -0.62 0.23 0.00 0.00 176.35 172.69 1uht s ASP 86 N -3.06 3.00 0.08 2.29 2.15 -1.26 -4.56 116.67 115.31 1uht s ASP 86 Ca 0.65 -0.80 -0.14 0.00 0.43 0.00 0.00 52.55 52.69 1uht s ASP 86 Cb -0.21 -0.19 -0.21 0.00 -0.30 0.00 0.00 42.92 42.01 1uht s ASP 86 CO 0.59 0.08 1.22 1.55 -0.17 0.00 0.00 175.17 178.44 1uht h PRO 87 N 3.55 0.72 -0.40 4.34 0.13 -1.97 -3.04 132.00 135.32 1uht h PRO 87 Ca -0.46 -0.70 0.00 0.00 -0.87 0.00 0.00 66.00 63.97 1uht h PRO 87 Cb 1.19 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1uht h PRO 87 CO 0.45 1.29 0.00 0.39 -0.23 0.00 0.00 178.00 179.90 1uht n GLU 88 N -3.92 1.72 -3.93 0.86 1.02 -1.26 -4.75 120.64 110.39 1uht n GLU 88 Ca -0.10 -0.89 -0.12 0.00 -0.02 0.00 0.00 57.16 56.04 1uht n GLU 88 Cb 0.82 -1.33 -0.14 0.00 -0.02 0.00 0.00 31.44 30.77 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 -1.65 0.08 -0.09 2.62 2.01 -1.15 -5.15 115.64 112.32 1uht s THR 89 Ca 0.16 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 61.98 1uht s THR 89 Cb 0.09 -0.11 0.02 0.00 0.01 0.00 0.00 72.50 72.52 1uht s THR 89 CO 0.09 -0.07 -0.11 -0.55 -0.69 0.00 0.00 174.62 173.29 1uht s SER 90 N -0.28 1.96 0.25 3.53 0.15 -1.26 -4.16 113.70 113.88 1uht s SER 90 Ca -0.02 -0.31 0.05 0.00 0.70 0.00 0.00 55.95 56.37 1uht s SER 90 Cb -0.02 -0.85 -0.03 0.00 -1.71 0.00 0.00 66.02 63.41 1uht s SER 90 CO -0.00 -0.02 0.35 -0.69 1.20 0.00 0.00 173.24 174.08 1uht s VAL 91 N 1.07 5.07 -0.24 4.45 1.01 -1.01 -4.89 120.40 125.86 1uht s VAL 91 Ca -0.07 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 60.72 1uht s VAL 91 Cb -0.15 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1uht s VAL 91 CO -0.01 -0.32 0.40 0.54 0.00 0.00 0.00 175.10 175.71 1uht s ASN 92 N -3.98 6.35 1.12 3.32 4.22 -1.26 -0.14 114.94 124.57 1uht s ASN 92 Ca 0.35 0.41 -0.13 0.00 -2.14 0.00 0.00 52.86 51.34 1uht s ASN 92 Cb -0.09 -2.23 0.23 0.00 1.28 0.00 0.00 41.25 40.45 1uht s ASN 92 CO 0.29 -0.15 0.85 0.18 -2.04 0.00 0.00 177.10 176.23 1uht n LEU 93 N 5.00 -0.82 -3.61 3.54 4.77 0.15 -4.91 117.00 121.11 1uht n LEU 93 Ca -0.08 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.71 1uht n LEU 93 Cb 0.51 -1.24 -0.06 0.00 -2.33 0.00 0.00 43.42 40.29 1uht n LEU 93 CO 0.39 -3.12 0.24 -0.83 -1.33 0.00 0.00 177.39 172.74 1uht s GLY 94 N -2.33 -0.38 -0.39 -0.72 0.00 -1.26 -4.74 107.32 97.50 1uht s GLY 94 Ca 0.66 0.60 -0.28 0.00 0.00 0.00 0.00 44.72 45.70 1uht s GLY 94 CO 0.64 0.31 1.95 -0.35 0.00 0.00 0.00 173.10 175.66 1uht s ASP 95 N -1.78 5.52 0.00 1.64 -1.08 -1.26 -1.44 116.67 118.28 1uht s ASP 95 Ca -0.07 1.18 0.00 0.00 -0.52 0.00 0.00 52.55 53.13 1uht s ASP 95 Cb -0.01 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 1uht s ASP 95 CO 0.01 -2.03 0.00 0.61 0.52 0.00 0.00 175.17 174.28 1uht n GLY 96 N 5.60 1.50 3.67 2.66 0.00 0.50 -4.97 105.19 114.15 1uht n GLY 96 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 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 6.51 -0.26 1.61 1.11 -0.52 -4.84 116.67 118.28 1uht s ASP 97 Ca 0.00 0.60 -0.15 0.00 0.18 0.00 0.00 52.55 53.19 1uht s ASP 97 Cb 0.00 -2.26 -0.04 0.00 1.07 0.00 0.00 42.92 41.69 1uht s ASP 97 CO 0.00 -0.11 0.36 -0.69 1.18 0.00 0.00 175.17 175.91 1uht s VAL 98 N 1.38 5.19 -0.41 -1.27 1.01 -1.26 -0.89 120.40 124.16 1uht s VAL 98 Ca 0.22 0.56 -0.12 0.00 0.00 0.00 0.00 61.98 62.64 1uht s VAL 98 Cb -0.15 -3.69 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1uht s VAL 98 CO 0.09 0.18 0.26 -0.63 0.00 0.00 0.00 175.10 175.00 1uht s ILE 99 N 1.94 4.66 -0.47 2.22 1.01 0.29 0.29 121.20 131.14 1uht s ILE 99 Ca 0.15 -1.02 -0.16 0.00 0.00 0.00 0.00 60.65 59.61 1uht s ILE 99 Cb -0.16 -3.70 0.06 0.00 0.01 0.00 0.00 42.46 38.67 1uht s ILE 99 CO 0.10 -0.38 0.45 -0.54 0.00 0.00 0.00 174.94 174.57 1uht s LYS 100 N 1.55 3.02 0.25 2.79 1.02 -0.03 0.01 119.74 128.35 1uht s LYS 100 Ca 0.03 -1.18 0.08 0.00 0.02 0.00 0.00 55.97 54.92 1uht s LYS 100 Cb -0.21 -4.10 -0.05 0.00 -0.52 0.00 0.00 37.83 32.94 1uht s LYS 100 CO 0.06 -1.04 -0.11 -0.48 -0.92 0.00 0.00 175.35 172.85 1uht s LEU 101 N 1.91 2.54 0.00 3.17 2.34 0.17 -1.15 118.68 127.67 1uht s LEU 101 Ca 0.07 -1.10 0.00 0.00 0.06 0.00 0.00 54.13 53.16 1uht s LEU 101 Cb -0.22 -0.74 0.00 0.00 -0.56 0.00 0.00 46.19 44.67 1uht s LEU 101 CO 0.09 -0.21 0.00 0.61 -1.06 0.00 0.00 176.35 175.77 1uht n GLY 102 N -0.52 2.11 0.21 -3.48 0.00 -1.26 -2.74 105.19 99.50 1uht n GLY 102 Ca -0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 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 12.73 0.06 -2.61 1.61 1.02 -1.26 -4.85 120.64 127.34 1uht n GLU 103 Ca 0.00 0.02 -0.18 0.00 -0.02 0.00 0.00 57.16 56.99 1uht n GLU 103 Cb 0.00 -0.52 0.01 0.00 -0.02 0.00 0.00 31.44 30.91 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 -2.75 2.22 -4.04 -0.32 4.01 -1.26 -5.04 117.16 109.97 1uht n TYR 104 Ca -0.02 -3.01 -0.34 0.00 -0.16 0.00 0.00 57.90 54.37 1uht n TYR 104 Cb 0.06 -0.25 -0.15 0.00 -0.31 0.00 0.00 39.34 38.69 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 -4.22 2.80 -0.05 -0.72 2.01 -1.11 -0.03 115.64 114.32 1uht s THR 105 Ca 0.37 -0.69 0.06 0.00 0.31 0.00 0.00 61.69 61.75 1uht s THR 105 Cb 0.42 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 1uht s THR 105 CO -0.07 0.48 -0.25 -0.44 -0.69 0.00 0.00 174.62 173.64 1uht s SER 106 N 1.35 3.06 -0.09 3.53 0.01 -1.25 -0.66 113.70 119.66 1uht s SER 106 Ca 0.05 -0.51 0.04 0.00 1.31 0.00 0.00 55.95 56.84 1uht s SER 106 Cb -0.14 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 65.30 1uht s SER 106 CO -0.07 0.25 -0.21 -0.63 0.41 0.00 0.00 173.24 172.99 1uht s ILE 107 N -0.20 1.80 -0.09 1.44 1.01 0.10 -1.96 121.20 123.30 1uht s ILE 107 Ca -0.02 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 1uht s ILE 107 Cb -0.13 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 1uht s ILE 107 CO 0.03 0.50 0.26 -0.22 0.00 0.00 0.00 174.94 175.51 1uht s LEU 108 N 0.38 4.39 -0.31 2.97 0.20 0.31 0.11 118.68 126.73 1uht s LEU 108 Ca -0.16 0.64 -0.10 0.00 0.69 0.00 0.00 54.13 55.19 1uht s LEU 108 Cb -0.17 -2.30 -0.02 0.00 -0.43 0.00 0.00 46.19 43.27 1uht s LEU 108 CO 0.07 0.32 0.17 -0.69 -0.29 0.00 0.00 176.35 175.93 1uht s VAL 109 N -0.74 4.83 -0.05 1.68 1.01 -0.07 -0.83 120.40 126.24 1uht s VAL 109 Ca 0.18 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.95 1uht s VAL 109 Cb -0.14 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1uht s VAL 109 CO 0.07 0.11 -0.19 0.20 0.00 0.00 0.00 175.10 175.29 1uht s ASN 110 N 1.66 2.38 -0.46 3.32 0.02 -0.76 0.19 114.94 121.29 1uht s ASN 110 Ca 0.06 -0.39 -0.16 0.00 -1.02 0.00 0.00 52.86 51.34 1uht s ASN 110 Cb -0.17 -0.66 0.05 0.00 0.02 0.00 0.00 41.25 40.50 1uht s ASN 110 CO 0.08 0.18 0.42 -0.36 0.02 0.00 0.00 177.10 177.43 1uht s PHE 111 N -0.01 3.21 -0.52 2.20 0.08 -1.26 -1.74 117.98 119.93 1uht s PHE 111 Ca -0.04 -0.74 -0.23 0.00 0.12 0.00 0.00 56.93 56.05 1uht s PHE 111 Cb -0.12 -3.08 0.04 0.00 -0.57 0.00 0.00 43.02 39.29 1uht s PHE 111 CO 0.03 -0.78 0.84 0.08 -0.10 0.00 0.00 175.22 175.28 1uht s VAL 112 N 1.86 4.55 -0.22 -0.44 1.01 -0.99 -4.82 120.40 121.35 1uht s VAL 112 Ca 0.07 0.14 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 1uht s VAL 112 Cb -0.22 -4.44 -0.09 0.00 0.00 0.00 0.00 36.38 31.64 1uht s VAL 112 CO 0.09 -0.96 -0.33 -1.20 0.00 0.00 0.00 175.10 172.70 1uht n SER 113 N 7.01 1.87 0.00 3.32 7.64 -1.26 -1.92 113.62 130.29 1uht n SER 113 Ca 0.00 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1uht n SER 113 Cb 0.47 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 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 1.46 -1.35 3.81 0.23 0.00 -1.26 -4.98 105.19 103.10 1uht n GLY 114 Ca -0.34 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 1uht n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uht s PRO 115 N -1.06 3.28 -0.22 1.61 0.04 -1.26 -5.04 135.00 132.35 1uht s PRO 115 Ca 0.00 1.11 -0.07 0.00 0.04 0.00 0.00 61.00 62.08 1uht s PRO 115 Cb 0.00 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1uht s PRO 115 CO 0.00 -0.83 0.06 0.45 0.04 0.00 0.00 177.00 176.72 1uht s SER 116 N -3.09 5.32 -0.29 6.66 0.15 -1.26 -5.05 113.70 116.13 1uht s SER 116 Ca 0.62 -0.09 -0.01 0.00 0.70 0.00 0.00 55.95 57.16 1uht s SER 116 Cb -0.15 -1.93 0.13 0.00 -1.71 0.00 0.00 66.02 62.35 1uht s SER 116 CO 0.41 0.06 0.25 -0.55 1.20 0.00 0.00 173.24 174.60 1uht s SER 117 N 1.07 2.26 0.00 5.45 0.15 -1.26 -5.34 113.70 116.04 1uht s SER 117 Ca 0.04 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1uht s SER 117 Cb -0.14 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1uht s SER 117 CO 0.03 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.68