#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hm0 s PHE 15 N 0.00 3.14 0.08 0.00 0.08 -1.26 -4.64 117.98 115.38 3hm0 s PHE 15 Ca 0.00 1.19 -0.25 0.00 0.12 0.00 0.00 56.93 57.99 3hm0 s PHE 15 Cb 0.00 -3.43 -0.06 0.00 -0.57 0.00 0.00 43.02 38.96 3hm0 s PHE 15 CO 0.00 -1.36 0.76 -1.01 -0.10 0.00 0.00 175.22 173.51 3hm0 s HIS 16 N 2.41 3.79 -0.07 0.36 3.76 0.04 -4.87 115.29 120.71 3hm0 s HIS 16 Ca 0.56 1.51 -0.04 0.00 -0.15 0.00 0.00 55.06 56.94 3hm0 s HIS 16 Cb -0.24 -2.79 -0.04 0.00 1.11 0.00 0.00 32.58 30.62 3hm0 s HIS 16 CO 0.21 0.36 0.11 -0.51 -0.85 0.00 0.00 174.74 174.06 3hm0 s ASP 17 N -0.42 6.06 -0.09 1.40 1.11 -1.26 -1.28 116.67 122.18 3hm0 s ASP 17 Ca 0.37 0.33 -0.08 0.00 0.18 0.00 0.00 52.55 53.36 3hm0 s ASP 17 Cb -0.21 -1.88 0.03 0.00 1.07 0.00 0.00 42.92 41.93 3hm0 s ASP 17 CO 0.24 0.35 0.24 0.12 1.18 0.00 0.00 175.17 177.30 3hm0 s PHE 18 N -1.09 -0.27 -0.13 4.23 5.36 0.77 -4.96 117.98 121.89 3hm0 s PHE 18 Ca 0.18 0.66 -0.04 0.00 -0.96 0.00 0.00 56.93 56.77 3hm0 s PHE 18 Cb -0.12 0.08 -0.04 0.00 -0.34 0.00 0.00 43.02 42.61 3hm0 s PHE 18 CO 0.08 -0.14 0.04 -0.65 -1.46 0.00 0.00 175.22 173.09 3hm0 s GLN 19 N 0.28 3.41 0.04 10.12 -0.21 -1.26 0.91 119.66 132.95 3hm0 s GLN 19 Ca -0.01 -0.35 0.03 0.00 0.02 0.00 0.00 55.36 55.05 3hm0 s GLN 19 Cb -0.03 -2.99 -0.02 0.00 1.00 0.00 0.00 33.01 30.97 3hm0 s GLN 19 CO -0.01 0.55 -0.10 0.00 -2.12 0.00 0.00 175.29 173.61 3hm0 s ALA 20 N -0.43 0.79 -0.04 6.09 0.00 -0.72 -5.00 121.76 122.44 3hm0 s ALA 20 Ca 0.09 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 3hm0 s ALA 20 Cb -0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3hm0 s ALA 20 CO 0.02 0.08 0.08 0.50 0.00 0.00 0.00 175.76 176.44 3hm0 s ARG 21 N -1.33 3.14 -0.28 0.00 6.06 -1.26 0.05 118.95 125.32 3hm0 s ARG 21 Ca -0.05 -0.39 -0.22 0.00 -2.50 0.00 0.00 55.73 52.57 3hm0 s ARG 21 Cb -0.08 -2.92 -0.01 0.00 0.06 0.00 0.00 34.95 32.00 3hm0 s ARG 21 CO 0.01 0.68 0.69 0.08 -2.50 0.00 0.00 175.30 174.27 3hm0 s VAL 22 N -1.11 4.90 0.52 7.11 1.01 -0.63 -4.98 120.40 127.23 3hm0 s VAL 22 Ca 0.20 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.34 3hm0 s VAL 22 Cb -0.12 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.26 3hm0 s VAL 22 CO 0.10 -0.12 0.46 -0.31 0.00 0.00 0.00 175.10 175.24 3hm0 s TYR 23 N 2.70 1.80 0.29 5.22 2.02 -1.26 -0.68 117.35 127.44 3hm0 s TYR 23 Ca 0.28 -0.75 -0.00 0.00 -0.37 0.00 0.00 57.07 56.23 3hm0 s TYR 23 Cb -0.15 -2.01 0.45 0.00 -0.40 0.00 0.00 41.96 39.85 3hm0 s TYR 23 CO 0.11 -0.52 1.86 0.28 -1.57 0.00 0.00 175.55 175.70 3hm0 h VAL 24 N 0.71 1.21 -1.04 0.71 2.07 -1.97 -1.94 116.25 116.01 3hm0 h VAL 24 Ca -0.36 -0.74 0.26 0.00 0.82 0.00 0.00 66.70 66.68 3hm0 h VAL 24 Cb 1.29 0.63 -0.09 0.00 -1.52 0.00 0.00 31.29 31.60 3hm0 h VAL 24 CO 0.55 0.28 0.66 0.00 0.02 0.00 0.00 177.57 179.08 3hm0 h ALA 25 N 1.39 2.21 -0.00 1.67 0.00 -2.02 -1.36 119.26 121.16 3hm0 h ALA 25 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hm0 h ALA 25 Cb 0.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hm0 h ALA 25 CO -0.01 -0.62 -0.02 -0.25 0.00 0.00 0.00 179.25 178.36 3hm0 n ASP 26 N -4.63 0.06 -4.92 0.00 8.00 -0.73 -4.91 116.55 109.41 3hm0 n ASP 26 Ca 0.25 -0.11 -0.20 0.00 0.71 0.00 0.00 54.79 55.44 3hm0 n ASP 26 Cb 0.87 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 3hm0 n ASP 26 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3hm0 s THR 27 N -2.62 3.53 0.44 -3.53 -4.23 -0.51 -0.75 115.64 107.97 3hm0 s THR 27 Ca 0.26 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 59.60 3hm0 s THR 27 Cb 0.20 -3.21 -0.01 0.00 1.34 0.00 0.00 72.50 70.82 3hm0 s THR 27 CO 0.48 -0.12 0.11 -0.90 -0.54 0.00 0.00 174.62 173.64 3hm0 n ASP 28 N -1.54 1.87 0.00 3.99 5.68 -0.50 -4.54 116.55 121.51 3hm0 n ASP 28 Ca 0.01 -3.22 0.03 0.00 -0.50 0.00 0.00 54.79 51.10 3hm0 n ASP 28 Cb 0.59 0.85 0.17 0.00 -1.14 0.00 0.00 41.12 41.59 3hm0 n ASP 28 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 3hm0 n PHE 29 N -1.03 0.00 0.94 2.11 -0.00 -1.26 -2.23 117.46 115.98 3hm0 n PHE 29 Ca -0.10 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.46 3hm0 n PHE 29 Cb 0.63 -0.06 0.05 0.00 -0.00 0.00 0.00 39.48 40.10 3hm0 n PHE 29 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3hm0 n SER 30 N -1.06 2.47 0.00 5.98 3.41 -1.26 -4.96 113.62 118.21 3hm0 n SER 30 Ca 0.04 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 3hm0 n SER 30 Cb 0.03 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3hm0 n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hm0 n GLY 31 N 1.31 2.23 3.60 5.00 0.00 -0.95 -5.08 105.19 111.30 3hm0 n GLY 31 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 3hm0 n GLY 31 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hm0 s VAL 32 N -2.35 2.05 0.02 1.61 -7.23 -1.26 -4.46 120.40 108.77 3hm0 s VAL 32 Ca 0.00 -2.05 -0.36 0.00 -1.81 0.00 0.00 61.98 57.76 3hm0 s VAL 32 Cb 0.00 -2.91 -0.14 0.00 0.56 0.00 0.00 36.38 33.89 3hm0 s VAL 32 CO 0.00 -0.05 1.61 0.52 -0.31 0.00 0.00 175.10 176.87 3hm0 n VAL 33 N -0.92 0.17 -1.77 1.32 0.31 -1.01 -1.41 118.33 115.02 3hm0 n VAL 33 Ca -0.05 -0.03 -0.39 0.00 -0.01 0.00 0.00 64.34 63.86 3hm0 n VAL 33 Cb 0.66 -1.37 0.03 0.00 -0.91 0.00 0.00 33.84 32.25 3hm0 n VAL 33 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3hm0 s TYR 34 N 1.89 2.32 0.28 3.52 5.04 0.07 -4.78 117.35 125.69 3hm0 s TYR 34 Ca 0.86 1.32 -0.01 0.00 -2.44 0.00 0.00 57.07 56.80 3hm0 s TYR 34 Cb -0.81 -3.87 0.40 0.00 0.35 0.00 0.00 41.96 38.03 3hm0 s TYR 34 CO 0.47 -2.99 1.83 1.12 -1.34 0.00 0.00 175.55 174.64 3hm0 h HIS 35 N 1.77 0.86 0.00 4.97 2.07 -1.92 -2.15 115.15 120.75 3hm0 h HIS 35 Ca -0.51 -0.07 -0.05 0.00 -2.85 0.00 0.00 60.37 56.89 3hm0 h HIS 35 Cb 1.29 -0.26 -0.01 0.00 2.57 0.00 0.00 27.41 31.01 3hm0 h HIS 35 CO 0.47 0.71 -0.23 0.00 -3.07 0.00 0.00 177.93 175.81 3hm0 h ALA 36 N 1.35 1.61 0.00 6.11 0.00 -1.97 -3.00 119.26 123.36 3hm0 h ALA 36 Ca 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hm0 h ALA 36 Cb 0.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hm0 h ALA 36 CO -0.00 0.29 -0.11 0.00 0.00 0.00 0.00 179.25 179.42 3hm0 h ARG 37 N 0.00 0.00 -0.32 0.00 2.47 -1.72 0.12 114.38 114.94 3hm0 h ARG 37 Ca -0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3hm0 h ARG 37 Cb 0.41 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 3hm0 h ARG 37 CO 0.03 0.11 0.08 1.88 0.56 0.00 0.00 179.97 182.63 3hm0 h TYR 38 N 0.00 0.46 -0.42 3.04 0.05 -1.64 -1.25 116.97 117.21 3hm0 h TYR 38 Ca -0.00 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.78 3hm0 h TYR 38 Cb 0.32 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.89 3hm0 h TYR 38 CO 0.00 0.41 0.23 -0.07 -1.05 0.00 0.00 178.16 177.68 3hm0 h LEU 39 N 0.45 0.36 -0.49 3.88 4.07 -1.12 -0.49 115.31 121.97 3hm0 h LEU 39 Ca 0.11 0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.15 3hm0 h LEU 39 Cb 0.18 -0.06 -0.06 0.00 1.08 0.00 0.00 40.66 41.80 3hm0 h LEU 39 CO -0.00 0.26 0.16 -0.33 -1.08 0.00 0.00 178.44 177.44 3hm0 h GLU 40 N 0.47 0.31 -0.51 1.13 5.08 -1.30 -0.51 114.58 119.26 3hm0 h GLU 40 Ca 0.18 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3hm0 h GLU 40 Cb 0.05 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3hm0 h GLU 40 CO -0.10 0.21 0.32 0.74 -1.00 0.00 0.00 179.01 179.18 3hm0 h PHE 41 N 0.32 0.61 -0.86 4.33 0.04 -0.75 -1.13 116.94 119.51 3hm0 h PHE 41 Ca 0.24 0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.04 3hm0 h PHE 41 Cb 0.27 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.17 3hm0 h PHE 41 CO -0.18 0.37 0.56 0.74 -0.60 0.00 0.00 178.31 179.21 3hm0 h PHE 42 N 0.66 1.06 -0.83 -0.55 0.04 -0.78 -0.70 116.94 115.83 3hm0 h PHE 42 Ca 0.19 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 3hm0 h PHE 42 Cb -0.04 -0.36 -0.04 0.00 2.20 0.00 0.00 35.95 37.71 3hm0 h PHE 42 CO -0.05 0.64 0.48 1.49 -0.60 0.00 0.00 178.31 180.28 3hm0 h GLU 43 N 1.12 1.15 -1.01 1.51 4.81 -0.62 0.18 114.58 121.73 3hm0 h GLU 43 Ca 0.33 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3hm0 h GLU 43 Cb -0.07 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.02 3hm0 h GLU 43 CO -0.09 0.82 0.67 0.00 -0.73 0.00 0.00 179.01 179.68 3hm0 h ARG 44 N 1.15 1.32 -0.23 1.92 3.08 -0.67 0.16 114.38 121.11 3hm0 h ARG 44 Ca 0.30 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 3hm0 h ARG 44 Cb -0.01 -0.30 -0.01 0.00 0.08 0.00 0.00 29.97 29.73 3hm0 h ARG 44 CO -0.05 0.87 0.12 0.78 -1.07 0.00 0.00 179.97 180.63 3hm0 h GLY 45 N 1.36 0.34 0.94 0.04 0.00 0.25 -0.68 103.07 105.32 3hm0 h GLY 45 Ca 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 3hm0 h GLY 45 CO -0.08 0.15 0.17 3.21 0.00 0.00 0.00 176.54 179.98 3hm0 h ARG 46 N 0.26 0.52 -0.68 4.80 3.08 -0.18 -0.80 114.38 121.38 3hm0 h ARG 46 Ca 0.08 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3hm0 h ARG 46 Cb 0.07 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3hm0 h ARG 46 CO -0.01 0.48 0.31 0.77 -1.07 0.00 0.00 179.97 180.45 3hm0 h SER 47 N 0.44 0.90 -0.35 7.04 0.02 -0.54 -0.36 113.55 120.70 3hm0 h SER 47 Ca 0.12 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 3hm0 h SER 47 Cb 0.13 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3hm0 h SER 47 CO -0.01 0.80 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.94 3hm0 h GLU 48 N 0.95 0.75 -0.42 3.45 4.39 -1.03 0.78 114.58 123.46 3hm0 h GLU 48 Ca 0.23 -0.34 0.08 0.00 0.34 0.00 0.00 59.36 59.67 3hm0 h GLU 48 Cb 0.14 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.69 3hm0 h GLU 48 CO -0.03 0.96 -0.36 0.35 -1.16 0.00 0.00 179.01 178.78 3hm0 h PHE 49 N 0.54 -1.00 -0.52 4.33 3.57 -0.93 -0.48 116.94 122.44 3hm0 h PHE 49 Ca 0.07 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.69 3hm0 h PHE 49 Cb 0.75 0.50 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 3hm0 h PHE 49 CO 0.06 -0.40 0.25 1.25 -2.23 0.00 0.00 178.31 177.24 3hm0 h LEU 50 N -0.26 0.33 -1.05 0.59 5.85 -0.70 -0.14 115.31 119.93 3hm0 h LEU 50 Ca 0.17 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3hm0 h LEU 50 Cb 0.55 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3hm0 h LEU 50 CO -0.57 0.22 0.00 -1.14 -0.34 0.00 0.00 178.44 176.62 3hm0 n ARG 51 N -4.91 0.13 0.06 1.25 0.63 0.24 -0.78 116.66 113.28 3hm0 n ARG 51 Ca 0.05 0.56 -0.05 0.00 -0.92 0.00 0.00 57.85 57.49 3hm0 n ARG 51 Cb 0.16 -1.87 -0.09 0.00 0.45 0.00 0.00 32.46 31.11 3hm0 n ARG 51 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3hm0 h ASP 52 N 0.00 0.00 0.00 6.15 3.32 0.58 -3.16 116.42 123.31 3hm0 h ASP 52 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hm0 h ASP 52 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3hm0 h ASP 52 CO 0.00 0.88 0.00 0.35 -1.72 0.00 0.00 179.24 178.75 3hm0 n THR 53 N -3.26 0.00 0.00 0.35 -2.24 0.04 -4.82 114.28 104.35 3hm0 n THR 53 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3hm0 n THR 53 Cb 0.91 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 3hm0 n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hm0 n GLY 54 N 0.25 2.03 3.95 3.38 0.00 -1.19 -4.98 105.19 108.63 3hm0 n GLY 54 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3hm0 n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hm0 s PHE 55 N -1.47 3.15 0.25 1.61 0.40 -1.22 -4.98 117.98 115.72 3hm0 s PHE 55 Ca 0.00 0.29 -0.05 0.00 -0.60 0.00 0.00 56.93 56.58 3hm0 s PHE 55 Cb 0.00 -2.53 0.02 0.00 0.51 0.00 0.00 43.02 41.02 3hm0 s PHE 55 CO 0.00 -0.60 0.42 0.27 0.70 0.00 0.00 175.22 176.00 3hm0 n ASN 56 N -2.28 -1.18 -0.21 1.36 0.23 -1.26 -2.62 115.26 109.30 3hm0 n ASN 56 Ca 0.04 -2.22 -0.08 0.00 -0.53 0.00 0.00 54.58 51.79 3hm0 n ASN 56 Cb 0.58 2.09 0.03 0.00 -2.08 0.00 0.00 39.78 40.39 3hm0 n ASN 56 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 3hm0 h ASN 57 N 1.35 0.81 0.13 0.53 2.35 -1.97 -1.73 115.58 117.05 3hm0 h ASN 57 Ca -0.20 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.27 3hm0 h ASN 57 Cb 0.83 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3hm0 h ASN 57 CO 0.27 0.76 -0.37 0.00 -1.65 0.00 0.00 177.43 176.43 3hm0 h THR 58 N 0.80 1.30 -0.07 2.81 1.03 -1.97 -2.26 112.91 114.56 3hm0 h THR 58 Ca 0.19 -1.46 -0.18 0.00 -0.01 0.00 0.00 66.41 64.95 3hm0 h THR 58 Cb 0.21 1.59 -0.01 0.00 -1.07 0.00 0.00 68.15 68.87 3hm0 h THR 58 CO -0.02 0.45 -0.72 0.25 -0.01 0.00 0.00 175.52 175.47 3hm0 h LEU 59 N 0.29 0.41 -0.52 0.00 5.85 -1.91 -2.59 115.31 116.83 3hm0 h LEU 59 Ca 0.03 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 3hm0 h LEU 59 Cb 0.79 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3hm0 h LEU 59 CO 0.06 1.00 -0.09 -0.07 -0.34 0.00 0.00 178.44 179.00 3hm0 h LEU 60 N 0.23 0.98 0.00 2.25 4.07 -1.26 -3.10 115.31 118.49 3hm0 h LEU 60 Ca -0.03 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 57.59 3hm0 h LEU 60 Cb 1.29 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.76 3hm0 h LEU 60 CO 0.12 1.10 0.00 0.00 -1.08 0.00 0.00 178.44 178.58 3hm0 n ALA 61 N -2.49 2.20 0.02 1.53 0.00 -0.86 -0.86 120.51 120.06 3hm0 n ALA 61 Ca 0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.26 3hm0 n ALA 61 Cb 0.39 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 3hm0 n ALA 61 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hm0 h SER 62 N 0.00 -0.14 0.00 0.00 0.02 -1.38 -3.42 113.55 108.63 3hm0 h SER 62 Ca 0.00 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3hm0 h SER 62 Cb 0.25 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3hm0 h SER 62 CO 0.00 0.46 0.00 0.61 -1.14 0.00 0.00 176.83 176.76 3hm0 n GLY 63 N 1.07 0.57 0.19 -3.77 0.00 -1.24 -4.69 105.19 97.32 3hm0 n GLY 63 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 3hm0 n GLY 63 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3hm0 h VAL 64 N 0.00 0.70 0.00 1.61 3.04 -1.73 -3.05 116.25 116.82 3hm0 h VAL 64 Ca 0.00 -0.65 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 3hm0 h VAL 64 Cb 0.00 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.31 3hm0 h VAL 64 CO 0.00 0.12 0.03 -0.62 -1.01 0.00 0.00 177.57 176.09 3hm0 n GLU 65 N -5.11 0.09 0.00 4.17 1.02 -1.26 -4.80 120.64 114.75 3hm0 n GLU 65 Ca -0.09 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 3hm0 n GLU 65 Cb 0.26 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 3hm0 n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hm0 n GLY 66 N -1.36 1.72 3.63 0.62 0.00 -1.15 -5.09 105.19 103.55 3hm0 n GLY 66 Ca -0.01 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 3hm0 n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hm0 s GLU 67 N 0.00 1.99 -0.51 1.61 -1.05 -1.26 -4.86 118.70 114.61 3hm0 s GLU 67 Ca 0.00 -2.19 -0.27 0.00 -0.15 0.00 0.00 54.97 52.37 3hm0 s GLU 67 Cb 0.00 -1.33 0.03 0.00 -0.44 0.00 0.00 34.13 32.39 3hm0 s GLU 67 CO 0.00 -0.24 1.04 0.15 0.95 0.00 0.00 175.26 177.16 3hm0 s LYS 68 N -3.80 3.52 0.04 -4.83 1.02 -1.26 -3.63 119.74 110.79 3hm0 s LYS 68 Ca 0.24 0.17 -0.00 0.00 0.02 0.00 0.00 55.97 56.40 3hm0 s LYS 68 Cb 0.06 -3.97 -0.04 0.00 -0.52 0.00 0.00 37.83 33.36 3hm0 s LYS 68 CO 0.12 -1.43 0.17 -0.51 -0.92 0.00 0.00 175.35 172.79 3hm0 s LEU 69 N 4.24 4.24 -0.00 3.17 1.43 -0.03 -3.14 118.68 128.59 3hm0 s LEU 69 Ca 0.39 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 3hm0 s LEU 69 Cb -0.09 -2.73 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 3hm0 s LEU 69 CO 0.26 0.21 -0.05 -0.36 0.23 0.00 0.00 176.35 176.63 3hm0 s PHE 70 N -1.41 0.49 0.19 0.29 0.08 0.53 -3.39 117.98 114.76 3hm0 s PHE 70 Ca 0.31 -0.12 -0.28 0.00 0.12 0.00 0.00 56.93 56.96 3hm0 s PHE 70 Cb -0.13 -0.31 -0.08 0.00 -0.57 0.00 0.00 43.02 41.93 3hm0 s PHE 70 CO 0.23 -0.01 0.86 -0.06 -0.10 0.00 0.00 175.22 176.13 3hm0 s PHE 71 N -0.21 3.93 -0.02 0.36 0.08 -1.26 -1.13 117.98 119.73 3hm0 s PHE 71 Ca 0.01 1.76 0.02 0.00 0.12 0.00 0.00 56.93 58.84 3hm0 s PHE 71 Cb -0.03 -2.87 0.00 0.00 -0.57 0.00 0.00 43.02 39.55 3hm0 s PHE 71 CO -0.00 0.47 -0.06 0.08 -0.10 0.00 0.00 175.22 175.61 3hm0 s VAL 72 N -1.07 0.52 -0.20 -0.44 1.01 -0.40 -4.96 120.40 114.87 3hm0 s VAL 72 Ca 0.39 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 3hm0 s VAL 72 Cb -0.24 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.66 3hm0 s VAL 72 CO 0.29 0.17 1.09 -0.69 0.00 0.00 0.00 175.10 175.96 3hm0 s VAL 73 N 0.20 4.59 -0.12 2.92 1.01 -1.26 -1.14 120.40 126.59 3hm0 s VAL 73 Ca -0.02 1.92 0.04 0.00 0.00 0.00 0.00 61.98 63.91 3hm0 s VAL 73 Cb -0.07 -4.24 -0.24 0.00 0.00 0.00 0.00 36.38 31.84 3hm0 s VAL 73 CO -0.00 -0.14 0.34 0.54 0.00 0.00 0.00 175.10 175.84 3hm0 n ARG 74 N 6.18 0.69 -3.68 2.72 5.12 0.51 -4.97 116.66 123.24 3hm0 n ARG 74 Ca 0.12 0.22 -0.13 0.00 -1.93 0.00 0.00 57.85 56.14 3hm0 n ARG 74 Cb 0.46 -1.69 -0.07 0.00 -1.16 0.00 0.00 32.46 30.01 3hm0 n ARG 74 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3hm0 s HIS 75 N -2.56 -0.26 -0.28 -1.55 2.46 -1.17 -5.01 115.29 106.92 3hm0 s HIS 75 Ca -0.17 0.25 -0.15 0.00 0.47 0.00 0.00 55.06 55.46 3hm0 s HIS 75 Cb 0.07 0.20 0.10 0.00 -0.13 0.00 0.00 32.58 32.82 3hm0 s HIS 75 CO 0.77 -0.54 0.74 1.41 -2.47 0.00 0.00 174.74 174.64 3hm0 s MET 76 N -2.28 0.63 -0.18 2.88 1.75 -1.26 -1.50 119.30 119.34 3hm0 s MET 76 Ca -0.07 1.15 0.01 0.00 -1.25 0.00 0.00 55.69 55.54 3hm0 s MET 76 Cb -0.01 0.22 0.02 0.00 2.84 0.00 0.00 34.83 37.89 3hm0 s MET 76 CO -0.01 -0.14 -0.19 -2.00 -0.65 0.00 0.00 175.02 172.03 3hm0 s GLU 77 N 1.75 2.90 -0.05 4.11 2.12 -0.34 -4.99 118.70 124.18 3hm0 s GLU 77 Ca -0.09 -0.84 0.06 0.00 0.36 0.00 0.00 54.97 54.45 3hm0 s GLU 77 Cb -0.06 -2.56 -0.01 0.00 0.26 0.00 0.00 34.13 31.77 3hm0 s GLU 77 CO -0.19 -0.23 -0.23 0.42 -0.54 0.00 0.00 175.26 174.48 3hm0 s ILE 78 N 1.29 1.90 -0.27 -3.70 1.01 -1.26 -1.13 121.20 119.05 3hm0 s ILE 78 Ca 0.04 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 3hm0 s ILE 78 Cb -0.13 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.74 3hm0 s ILE 78 CO -0.12 0.53 -0.01 0.21 0.00 0.00 0.00 174.94 175.55 3hm0 s ASN 79 N -0.12 4.63 -0.72 3.58 2.47 -0.37 -5.01 114.94 119.42 3hm0 s ASN 79 Ca -0.04 -0.82 -0.20 0.00 0.42 0.00 0.00 52.86 52.23 3hm0 s ASN 79 Cb -0.13 -1.75 0.10 0.00 -1.45 0.00 0.00 41.25 38.03 3hm0 s ASN 79 CO 0.03 -0.15 0.91 -0.36 -3.72 0.00 0.00 177.10 173.81 3hm0 s PHE 80 N 1.39 2.95 -0.15 0.43 0.08 -1.26 -2.53 117.98 118.88 3hm0 s PHE 80 Ca 0.01 -0.97 -0.11 0.00 0.12 0.00 0.00 56.93 55.98 3hm0 s PHE 80 Cb -0.17 -4.18 -0.04 0.00 -0.57 0.00 0.00 43.02 38.06 3hm0 s PHE 80 CO -0.02 -1.46 -0.19 0.43 -0.10 0.00 0.00 175.22 173.88 3hm0 n SER 81 N 6.78 1.83 -4.35 1.36 7.64 -0.46 -5.00 113.62 121.43 3hm0 n SER 81 Ca 0.02 0.58 -0.26 0.00 1.01 0.00 0.00 58.87 60.23 3hm0 n SER 81 Cb 0.45 -0.85 -0.12 0.00 -1.01 0.00 0.00 64.21 62.68 3hm0 n SER 81 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3hm0 s ARG 82 N -2.35 1.29 0.31 1.43 0.52 -0.70 -5.06 118.95 114.39 3hm0 s ARG 82 Ca -0.18 -1.31 -0.05 0.00 -0.52 0.00 0.00 55.73 53.67 3hm0 s ARG 82 Cb 0.03 -1.61 -0.05 0.00 0.52 0.00 0.00 34.95 33.83 3hm0 s ARG 82 CO 0.27 0.37 0.58 -1.25 0.02 0.00 0.00 175.30 175.28 3hm0 s PRO 83 N -2.20 3.63 0.01 3.54 0.04 -1.26 -4.52 135.00 134.24 3hm0 s PRO 83 Ca 0.12 0.03 -0.13 0.00 0.04 0.00 0.00 61.00 61.06 3hm0 s PRO 83 Cb -0.09 -2.62 -0.06 0.00 0.04 0.00 0.00 34.50 31.78 3hm0 s PRO 83 CO 0.06 0.17 0.38 0.00 0.04 0.00 0.00 177.00 177.65 3hm0 s ALA 84 N -2.15 3.73 0.31 8.56 0.00 -1.26 -5.02 121.76 125.93 3hm0 s ALA 84 Ca 0.44 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.15 3hm0 s ALA 84 Cb -0.11 -2.31 -0.02 0.00 0.00 0.00 0.00 23.12 20.69 3hm0 s ALA 84 CO 0.31 0.52 0.45 -0.65 0.00 0.00 0.00 175.76 176.39 3hm0 s GLN 85 N -1.28 3.24 0.07 0.00 -1.52 -1.26 -2.42 119.66 116.49 3hm0 s GLN 85 Ca 0.25 -0.85 -0.36 0.00 -1.95 0.00 0.00 55.36 52.45 3hm0 s GLN 85 Cb -0.15 -2.81 -0.15 0.00 -0.22 0.00 0.00 33.01 29.67 3hm0 s GLN 85 CO 0.14 0.16 1.50 1.51 -0.25 0.00 0.00 175.29 178.34 3hm0 n ILE 86 N -1.61 0.07 -0.90 1.08 0.13 -1.26 -1.82 119.36 115.04 3hm0 n ILE 86 Ca -0.03 -0.01 0.00 0.00 -1.10 0.00 0.00 62.75 61.61 3hm0 n ILE 86 Cb 0.58 -1.18 0.00 0.00 -0.84 0.00 0.00 39.64 38.20 3hm0 n ILE 86 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 3hm0 n ASP 87 N 3.36 0.00 -4.74 9.51 2.03 0.14 -5.00 116.55 121.85 3hm0 n ASP 87 Ca 0.19 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.11 3hm0 n ASP 87 Cb 0.23 -0.42 0.03 0.00 -0.72 0.00 0.00 41.12 40.24 3hm0 n ASP 87 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3hm0 n ASN 88 N 0.00 2.80 -4.47 1.67 5.03 -0.76 -4.67 115.26 114.87 3hm0 n ASN 88 Ca 0.00 1.04 -0.41 0.00 0.87 0.00 0.00 54.58 56.08 3hm0 n ASN 88 Cb 0.00 -1.57 -0.11 0.00 -1.02 0.00 0.00 39.78 37.09 3hm0 n ASN 88 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3hm0 s LEU 89 N -2.88 4.62 0.08 3.41 2.96 -1.26 -1.60 118.68 124.00 3hm0 s LEU 89 Ca 0.67 -0.65 -0.02 0.00 -0.22 0.00 0.00 54.13 53.91 3hm0 s LEU 89 Cb -0.44 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 3hm0 s LEU 89 CO 0.53 -0.30 0.26 -0.76 -1.32 0.00 0.00 176.35 174.76 3hm0 s LEU 90 N 1.66 4.33 -0.16 -0.68 1.43 0.11 -4.28 118.68 121.10 3hm0 s LEU 90 Ca 0.05 0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 53.52 3hm0 s LEU 90 Cb -0.18 -3.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 3hm0 s LEU 90 CO 0.09 0.15 -0.06 -0.89 0.23 0.00 0.00 176.35 175.87 3hm0 s THR 91 N -1.52 3.63 -0.26 5.49 2.01 0.11 -1.76 115.64 123.33 3hm0 s THR 91 Ca 0.36 -0.45 -0.09 0.00 0.31 0.00 0.00 61.69 61.83 3hm0 s THR 91 Cb -0.13 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 3hm0 s THR 91 CO 0.25 0.49 0.11 -0.63 -0.69 0.00 0.00 174.62 174.15 3hm0 s ILE 92 N 0.56 4.62 -0.20 1.82 1.01 0.26 -0.24 121.20 129.03 3hm0 s ILE 92 Ca -0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 3hm0 s ILE 92 Cb -0.15 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 3hm0 s ILE 92 CO 0.03 0.29 0.00 -0.54 0.00 0.00 0.00 174.94 174.72 3hm0 s LYS 93 N 1.66 3.62 -0.05 2.79 1.02 0.37 -0.16 119.74 128.99 3hm0 s LYS 93 Ca 0.06 -0.52 0.02 0.00 0.02 0.00 0.00 55.97 55.55 3hm0 s LYS 93 Cb -0.16 -3.08 0.02 0.00 -0.52 0.00 0.00 37.83 34.09 3hm0 s LYS 93 CO 0.06 0.01 -0.08 0.99 -0.92 0.00 0.00 175.35 175.41 3hm0 s THR 94 N 1.00 0.82 0.05 2.17 2.01 -0.41 0.22 115.64 121.50 3hm0 s THR 94 Ca 0.02 -0.30 -0.06 0.00 0.31 0.00 0.00 61.69 61.66 3hm0 s THR 94 Cb -0.14 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.57 3hm0 s THR 94 CO 0.02 0.28 0.10 0.00 -0.69 0.00 0.00 174.62 174.33 3hm0 s ARG 95 N 0.75 0.67 -0.04 4.92 1.70 -0.62 -0.78 118.95 125.54 3hm0 s ARG 95 Ca -0.13 -0.90 -0.28 0.00 -0.47 0.00 0.00 55.73 53.96 3hm0 s ARG 95 Cb -0.15 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.46 3hm0 s ARG 95 CO 0.02 -0.18 0.88 0.42 -1.08 0.00 0.00 175.30 175.37 3hm0 s ILE 96 N -3.21 4.92 -0.13 4.99 1.01 -1.26 -1.18 121.20 126.34 3hm0 s ILE 96 Ca 0.00 1.83 0.19 0.00 0.00 0.00 0.00 60.65 62.68 3hm0 s ILE 96 Cb 0.02 -4.22 -0.27 0.00 0.01 0.00 0.00 42.46 38.00 3hm0 s ILE 96 CO -0.07 0.17 0.29 -1.54 0.00 0.00 0.00 174.94 173.78 3hm0 n SER 97 N 4.06 0.08 -3.54 3.58 3.41 -0.48 -4.88 113.62 115.85 3hm0 n SER 97 Ca 0.04 0.04 -0.14 0.00 -0.26 0.00 0.00 58.87 58.54 3hm0 n SER 97 Cb 0.51 1.28 -0.05 0.00 -0.26 0.00 0.00 64.21 65.69 3hm0 n SER 97 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hm0 s ARG 98 N -2.90 1.08 0.27 4.33 0.52 -1.23 -5.03 118.95 116.00 3hm0 s ARG 98 Ca -0.09 -0.20 0.09 0.00 -0.52 0.00 0.00 55.73 55.01 3hm0 s ARG 98 Cb 0.09 0.50 -0.05 0.00 0.52 0.00 0.00 34.95 36.01 3hm0 s ARG 98 CO 0.86 -0.40 -0.12 -0.51 0.02 0.00 0.00 175.30 175.15 3hm0 s LEU 99 N -1.99 2.56 0.00 2.53 1.02 -1.26 -2.02 118.68 119.52 3hm0 s LEU 99 Ca -0.05 -1.10 0.00 0.00 0.02 0.00 0.00 54.13 53.00 3hm0 s LEU 99 Cb -0.01 -0.80 0.00 0.00 0.02 0.00 0.00 46.19 45.40 3hm0 s LEU 99 CO -0.02 -0.18 0.07 0.00 0.02 0.00 0.00 176.35 176.24 3hm0 n GLN 100 N -0.56 0.53 0.00 1.70 1.13 -0.10 -4.98 117.38 115.10 3hm0 n GLN 100 Ca -0.06 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 3hm0 n GLN 100 Cb 0.62 -0.42 0.00 0.00 0.11 0.00 0.00 30.24 30.55 3hm0 n GLN 100 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hm0 n GLY 101 N 0.10 2.56 0.47 1.08 0.00 -1.26 -4.53 105.19 103.60 3hm0 n GLY 101 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 3hm0 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hm0 n ALA 102 N 0.00 1.94 -2.80 4.61 0.00 -1.26 -1.20 120.51 121.79 3hm0 n ALA 102 Ca 0.00 -0.64 -0.35 0.00 0.00 0.00 0.00 53.44 52.45 3hm0 n ALA 102 Cb 0.00 0.28 -0.09 0.00 0.00 0.00 0.00 19.45 19.64 3hm0 n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hm0 s ARG 103 N -2.29 3.67 0.03 0.00 1.81 -1.26 -4.15 118.95 116.75 3hm0 s ARG 103 Ca -0.22 -0.31 0.05 0.00 -1.72 0.00 0.00 55.73 53.53 3hm0 s ARG 103 Cb 0.08 -3.12 -0.02 0.00 -0.45 0.00 0.00 34.95 31.44 3hm0 s ARG 103 CO 0.29 0.47 -0.15 -0.59 -0.68 0.00 0.00 175.30 174.64 3hm0 s PHE 104 N -0.18 1.29 -0.01 -0.53 -0.71 0.26 -0.92 117.98 117.17 3hm0 s PHE 104 Ca 0.08 -0.33 0.02 0.00 -1.04 0.00 0.00 56.93 55.66 3hm0 s PHE 104 Cb -0.12 -0.78 -0.03 0.00 -1.21 0.00 0.00 43.02 40.88 3hm0 s PHE 104 CO 0.01 0.03 -0.03 -0.06 -1.34 0.00 0.00 175.22 173.83 3hm0 s PHE 105 N -0.72 3.01 0.06 3.49 0.40 -0.86 -0.27 117.98 123.09 3hm0 s PHE 105 Ca 0.03 0.05 0.07 0.00 -0.60 0.00 0.00 56.93 56.48 3hm0 s PHE 105 Cb -0.07 -1.66 -0.03 0.00 0.51 0.00 0.00 43.02 41.77 3hm0 s PHE 105 CO 0.01 0.42 -0.19 -1.64 0.70 0.00 0.00 175.22 174.52 3hm0 s MET 106 N -1.40 1.22 -0.14 0.44 -1.94 0.53 -1.38 119.30 116.63 3hm0 s MET 106 Ca 0.18 -0.97 -0.05 0.00 -1.71 0.00 0.00 55.69 53.13 3hm0 s MET 106 Cb -0.11 -1.36 -0.04 0.00 2.01 0.00 0.00 34.83 35.33 3hm0 s MET 106 CO 0.08 0.34 0.04 -1.21 -0.01 0.00 0.00 175.02 174.25 3hm0 s GLU 107 N -1.39 3.57 0.04 2.03 2.02 -0.32 -0.67 118.70 123.98 3hm0 s GLU 107 Ca 0.06 -0.36 0.03 0.00 0.02 0.00 0.00 54.97 54.71 3hm0 s GLU 107 Cb -0.09 -3.04 -0.02 0.00 0.10 0.00 0.00 34.13 31.08 3hm0 s GLU 107 CO 0.02 0.46 -0.09 -0.65 0.02 0.00 0.00 175.26 175.03 3hm0 s GLN 108 N -0.17 0.57 -0.07 1.61 -0.21 0.13 -1.60 119.66 119.93 3hm0 s GLN 108 Ca 0.06 -0.70 -0.03 0.00 0.02 0.00 0.00 55.36 54.70 3hm0 s GLN 108 Cb -0.12 -0.41 0.03 0.00 1.00 0.00 0.00 33.01 33.51 3hm0 s GLN 108 CO 0.02 0.08 0.15 0.71 -2.12 0.00 0.00 175.29 174.13 3hm0 s TYR 109 N -1.17 -0.18 -0.19 0.91 2.02 0.13 -0.45 117.35 118.43 3hm0 s TYR 109 Ca -0.07 0.49 -0.00 0.00 -0.37 0.00 0.00 57.07 57.12 3hm0 s TYR 109 Cb -0.09 -0.05 0.01 0.00 -0.40 0.00 0.00 41.96 41.44 3hm0 s TYR 109 CO 0.01 -0.15 -0.15 0.42 -1.57 0.00 0.00 175.55 174.10 3hm0 s ILE 110 N 0.96 2.41 0.10 2.71 1.01 0.15 0.14 121.20 128.68 3hm0 s ILE 110 Ca -0.07 -0.85 0.10 0.00 0.00 0.00 0.00 60.65 59.83 3hm0 s ILE 110 Cb -0.09 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3hm0 s ILE 110 CO -0.05 0.48 -0.26 -0.76 0.00 0.00 0.00 174.94 174.35 3hm0 s LEU 111 N 1.33 2.27 -0.48 2.97 1.02 0.67 -0.40 118.68 126.06 3hm0 s LEU 111 Ca 0.05 -0.69 -0.15 0.00 0.02 0.00 0.00 54.13 53.36 3hm0 s LEU 111 Cb -0.14 -1.21 0.09 0.00 0.02 0.00 0.00 46.19 44.95 3hm0 s LEU 111 CO -0.10 0.19 0.41 -2.28 0.02 0.00 0.00 176.35 174.59 3hm0 s HIS 112 N -0.99 3.26 0.00 0.29 5.65 -0.14 0.07 115.29 123.44 3hm0 s HIS 112 Ca 0.13 -1.11 0.00 0.00 0.25 0.00 0.00 55.06 54.33 3hm0 s HIS 112 Cb -0.10 -3.32 0.00 0.00 -1.18 0.00 0.00 32.58 27.98 3hm0 s HIS 112 CO 0.05 -0.86 0.00 0.41 -0.65 0.00 0.00 174.74 173.68 3hm0 n GLY 113 N 5.18 0.94 0.25 1.59 0.00 -1.26 -1.14 105.19 110.75 3hm0 n GLY 113 Ca -0.12 0.48 0.04 0.00 0.00 0.00 0.00 46.02 46.41 3hm0 n GLY 113 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hm0 n GLU 114 N 0.00 0.64 -2.89 1.61 2.13 -1.26 -4.90 120.64 115.98 3hm0 n GLU 114 Ca 0.00 -0.81 -0.42 0.00 0.66 0.00 0.00 57.16 56.60 3hm0 n GLU 114 Cb 0.00 -1.09 -0.04 0.00 0.27 0.00 0.00 31.44 30.58 3hm0 n GLU 114 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3hm0 s SER 115 N -0.73 6.85 -0.03 4.31 0.01 -0.29 -5.02 113.70 118.80 3hm0 s SER 115 Ca 0.08 1.06 -0.30 0.00 1.31 0.00 0.00 55.95 58.10 3hm0 s SER 115 Cb 0.06 -2.44 -0.07 0.00 0.21 0.00 0.00 66.02 63.78 3hm0 s SER 115 CO 0.11 -0.51 1.84 -0.32 0.41 0.00 0.00 173.24 174.78 3hm0 s MET 116 N 2.77 4.07 -0.28 12.44 1.75 -1.26 -0.96 119.30 137.83 3hm0 s MET 116 Ca 0.35 2.36 -0.13 0.00 -1.25 0.00 0.00 55.69 57.02 3hm0 s MET 116 Cb -0.15 -4.10 -0.12 0.00 2.84 0.00 0.00 34.83 33.29 3hm0 s MET 116 CO 0.08 -1.01 -0.35 1.28 -0.65 0.00 0.00 175.02 174.37 3hm0 n LEU 117 N 7.72 2.03 -3.77 4.11 4.77 0.47 -4.20 117.00 128.13 3hm0 n LEU 117 Ca 0.19 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 56.34 3hm0 n LEU 117 Cb 0.42 -0.82 -0.11 0.00 -2.33 0.00 0.00 43.42 40.58 3hm0 n LEU 117 CO 0.65 0.61 -0.01 -0.69 -1.33 0.00 0.00 177.39 176.62 3hm0 s VAL 118 N -2.51 0.01 0.02 4.08 1.01 -0.99 -1.35 120.40 120.67 3hm0 s VAL 118 Ca -0.38 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.57 3hm0 s VAL 118 Cb 0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 3hm0 s VAL 118 CO 0.50 -0.04 -0.13 0.42 0.00 0.00 0.00 175.10 175.85 3hm0 s THR 119 N -0.02 1.03 0.01 3.92 -4.23 -1.05 -0.68 115.64 114.61 3hm0 s THR 119 Ca -0.02 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.70 3hm0 s THR 119 Cb -0.03 -0.90 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 3hm0 s THR 119 CO 0.01 0.12 0.01 0.00 -0.54 0.00 0.00 174.62 174.22 3hm0 s ALA 120 N -0.60 -0.01 -0.17 3.99 0.00 0.41 -1.24 121.76 124.14 3hm0 s ALA 120 Ca 0.03 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.64 3hm0 s ALA 120 Cb -0.06 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3hm0 s ALA 120 CO 0.00 -0.12 -0.00 0.15 0.00 0.00 0.00 175.76 175.79 3hm0 s LYS 121 N -0.94 3.73 -0.08 0.00 1.02 -0.29 -0.69 119.74 122.49 3hm0 s LYS 121 Ca -0.10 -0.48 0.02 0.00 0.02 0.00 0.00 55.97 55.43 3hm0 s LYS 121 Cb -0.06 -3.03 0.01 0.00 -0.52 0.00 0.00 37.83 34.23 3hm0 s LYS 121 CO -0.00 0.19 -0.14 0.08 -0.92 0.00 0.00 175.35 174.56 3hm0 s VAL 122 N 0.52 1.33 -0.26 3.17 1.01 0.16 -1.20 120.40 125.13 3hm0 s VAL 122 Ca -0.01 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 3hm0 s VAL 122 Cb -0.14 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3hm0 s VAL 122 CO 0.02 0.40 0.12 -0.70 0.00 0.00 0.00 175.10 174.94 3hm0 s GLU 123 N 0.77 3.78 -0.05 2.72 2.12 -0.56 -0.35 118.70 127.13 3hm0 s GLU 123 Ca -0.12 -0.41 0.05 0.00 0.36 0.00 0.00 54.97 54.85 3hm0 s GLU 123 Cb -0.16 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.76 3hm0 s GLU 123 CO 0.02 -0.17 -0.20 0.42 -0.54 0.00 0.00 175.26 174.80 3hm0 s ILE 124 N 1.63 2.57 0.39 -3.70 -1.09 0.62 -0.36 121.20 121.26 3hm0 s ILE 124 Ca 0.07 -0.89 0.08 0.00 -2.23 0.00 0.00 60.65 57.67 3hm0 s ILE 124 Cb -0.15 -1.97 -0.06 0.00 -1.58 0.00 0.00 42.46 38.69 3hm0 s ILE 124 CO 0.06 0.58 0.06 0.00 -1.23 0.00 0.00 174.94 174.41 3hm0 s ALA 125 N -0.43 3.30 -0.13 9.38 0.00 -0.29 -0.58 121.76 133.01 3hm0 s ALA 125 Ca 0.04 -2.16 0.01 0.00 0.00 0.00 0.00 51.96 49.86 3hm0 s ALA 125 Cb -0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 3hm0 s ALA 125 CO 0.02 -0.08 -0.18 -1.17 0.00 0.00 0.00 175.76 174.34 3hm0 s LEU 126 N -3.77 2.37 0.09 0.00 2.96 -1.26 -1.27 118.68 117.81 3hm0 s LEU 126 Ca 0.37 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 3hm0 s LEU 126 Cb 0.05 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 3hm0 s LEU 126 CO 0.20 0.12 -0.07 0.27 -1.32 0.00 0.00 176.35 175.54 3hm0 s ILE 127 N 0.60 0.71 0.35 6.68 -4.36 -0.28 -1.30 121.20 123.60 3hm0 s ILE 127 Ca -0.10 -1.79 -0.01 0.00 -0.26 0.00 0.00 60.65 58.48 3hm0 s ILE 127 Cb -0.16 -1.51 0.07 0.00 1.25 0.00 0.00 42.46 42.11 3hm0 s ILE 127 CO 0.03 -0.77 0.49 -0.46 0.24 0.00 0.00 174.94 174.46 3hm0 n ASN 128 N 0.22 0.53 0.21 4.36 6.94 -0.72 -0.35 115.26 126.45 3hm0 n ASN 128 Ca -0.14 -1.48 0.15 0.00 -0.02 0.00 0.00 54.58 53.10 3hm0 n ASN 128 Cb 0.60 -0.33 0.80 0.00 -2.36 0.00 0.00 39.78 38.49 3hm0 n ASN 128 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 3hm0 h GLU 129 N 0.00 0.00 0.00 -3.83 -0.00 -1.88 -2.21 114.58 106.66 3hm0 h GLU 129 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.20 3hm0 h GLU 129 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.31 3hm0 h GLU 129 CO 0.16 0.00 -0.15 1.05 -0.00 0.00 0.00 179.01 180.07 3hm0 h GLU 130 N 0.00 0.00 0.00 1.06 -0.00 -1.92 -3.46 114.58 110.25 3hm0 h GLU 130 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.43 3hm0 h GLU 130 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.12 3hm0 h GLU 130 CO -0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 179.42 3hm0 n GLY 131 N 1.19 0.88 3.69 1.06 0.00 -0.83 -5.07 105.19 106.12 3hm0 n GLY 131 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3hm0 n GLY 131 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hm0 s LYS 132 N -0.87 4.24 0.92 1.61 0.00 -1.26 -4.86 119.74 119.52 3hm0 s LYS 132 Ca 0.00 0.35 -0.13 0.00 0.00 0.00 0.00 55.97 56.18 3hm0 s LYS 132 Cb 0.00 -3.50 0.03 0.00 0.00 0.00 0.00 37.83 34.35 3hm0 s LYS 132 CO 0.00 0.01 0.45 -2.30 0.00 0.00 0.00 175.35 173.50 3hm0 n PRO 133 N 4.25 -0.20 -3.63 1.78 -0.02 -1.26 -1.76 135.00 134.15 3hm0 n PRO 133 Ca -0.07 -0.02 -0.13 0.00 -2.02 0.00 0.00 63.50 61.27 3hm0 n PRO 133 Cb 0.51 -1.87 -0.07 0.00 -0.02 0.00 0.00 33.50 32.05 3hm0 n PRO 133 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hm0 s ARG 134 N -3.54 0.79 0.75 -0.52 0.52 -0.42 -4.79 118.95 111.74 3hm0 s ARG 134 Ca 0.58 0.97 -0.12 0.00 -0.52 0.00 0.00 55.73 56.64 3hm0 s ARG 134 Cb -0.23 0.37 0.05 0.00 0.52 0.00 0.00 34.95 35.66 3hm0 s ARG 134 CO 0.66 -0.10 1.11 1.03 0.02 0.00 0.00 175.30 178.02 3hm0 s ARG 135 N 0.44 2.27 0.07 3.54 3.00 -1.26 -4.38 118.95 122.63 3hm0 s ARG 135 Ca -0.00 1.30 -0.30 0.00 0.00 0.00 0.00 55.73 56.73 3hm0 s ARG 135 Cb -0.05 -1.89 -0.05 0.00 0.00 0.00 0.00 34.95 32.96 3hm0 s ARG 135 CO -0.01 -1.65 0.99 -0.51 0.00 0.00 0.00 175.30 174.13 3hm0 s LEU 136 N -5.66 4.44 0.00 2.53 2.01 -0.34 -4.99 118.68 116.67 3hm0 s LEU 136 Ca 0.64 1.78 0.27 0.00 0.01 0.00 0.00 54.13 56.82 3hm0 s LEU 136 Cb -0.19 -3.58 0.75 0.00 0.01 0.00 0.00 46.19 43.18 3hm0 s LEU 136 CO 0.52 -0.18 1.58 -0.81 1.01 0.00 0.00 176.35 178.46