#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 3.74 0.27 0.00 0.08 -1.26 -4.66 117.98 116.15 3hm0 s PHE 15 Ca 0.00 1.75 -0.30 0.00 0.12 0.00 0.00 56.93 58.50 3hm0 s PHE 15 Cb 0.00 -3.08 -0.09 0.00 -0.57 0.00 0.00 43.02 39.28 3hm0 s PHE 15 CO 0.00 0.11 1.07 -1.01 -0.10 0.00 0.00 175.22 175.28 3hm0 s HIS 16 N 0.48 3.66 -0.10 0.36 3.76 0.29 -4.81 115.29 118.93 3hm0 s HIS 16 Ca 0.49 1.74 -0.03 0.00 -0.15 0.00 0.00 55.06 57.12 3hm0 s HIS 16 Cb -0.22 -3.22 -0.03 0.00 1.11 0.00 0.00 32.58 30.21 3hm0 s HIS 16 CO 0.29 -0.34 0.03 -0.51 -0.85 0.00 0.00 174.74 173.35 3hm0 s ASP 17 N -0.94 5.45 -0.14 1.40 1.11 -1.26 -1.05 116.67 121.25 3hm0 s ASP 17 Ca 0.44 0.20 -0.11 0.00 0.18 0.00 0.00 52.55 53.25 3hm0 s ASP 17 Cb -0.31 -1.60 0.04 0.00 1.07 0.00 0.00 42.92 42.12 3hm0 s ASP 17 CO 0.39 0.38 0.36 0.12 1.18 0.00 0.00 175.17 177.60 3hm0 s PHE 18 N -0.86 -0.43 0.14 4.23 5.36 0.17 -4.98 117.98 121.60 3hm0 s PHE 18 Ca 0.13 1.01 0.06 0.00 -0.96 0.00 0.00 56.93 57.18 3hm0 s PHE 18 Cb -0.12 0.15 -0.04 0.00 -0.34 0.00 0.00 43.02 42.68 3hm0 s PHE 18 CO 0.03 -0.22 0.01 -0.65 -1.46 0.00 0.00 175.22 172.92 3hm0 s GLN 19 N 0.53 2.50 -0.19 10.12 -0.21 -1.26 0.72 119.66 131.87 3hm0 s GLN 19 Ca -0.03 -0.97 -0.14 0.00 0.02 0.00 0.00 55.36 54.25 3hm0 s GLN 19 Cb -0.04 -2.46 0.06 0.00 1.00 0.00 0.00 33.01 31.56 3hm0 s GLN 19 CO -0.03 0.49 0.48 0.00 -2.12 0.00 0.00 175.29 174.12 3hm0 s ALA 20 N -1.54 -1.22 0.15 6.09 0.00 -0.72 -4.98 121.76 119.53 3hm0 s ALA 20 Ca 0.27 1.57 -0.29 0.00 0.00 0.00 0.00 51.96 53.50 3hm0 s ALA 20 Cb -0.10 -0.93 -0.07 0.00 0.00 0.00 0.00 23.12 22.02 3hm0 s ALA 20 CO 0.19 -0.26 0.93 0.50 0.00 0.00 0.00 175.76 177.11 3hm0 s ARG 21 N 0.90 4.72 -0.23 0.00 6.06 -1.26 -1.35 118.95 127.80 3hm0 s ARG 21 Ca -0.05 1.41 -0.29 0.00 -2.50 0.00 0.00 55.73 54.30 3hm0 s ARG 21 Cb -0.06 -3.34 0.00 0.00 0.06 0.00 0.00 34.95 31.62 3hm0 s ARG 21 CO -0.07 0.34 1.15 0.08 -2.50 0.00 0.00 175.30 174.29 3hm0 s VAL 22 N -0.44 4.46 0.53 7.11 1.01 0.01 -4.97 120.40 128.12 3hm0 s VAL 22 Ca 0.44 1.75 0.05 0.00 0.00 0.00 0.00 61.98 64.22 3hm0 s VAL 22 Cb -0.24 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 31.97 3hm0 s VAL 22 CO 0.30 -0.24 0.34 -0.31 0.00 0.00 0.00 175.10 175.19 3hm0 s TYR 23 N 3.48 1.73 0.20 5.22 2.02 -1.26 -1.67 117.35 127.07 3hm0 s TYR 23 Ca 0.49 -0.84 -0.12 0.00 -0.37 0.00 0.00 57.07 56.24 3hm0 s TYR 23 Cb -0.17 -1.88 0.23 0.00 -0.40 0.00 0.00 41.96 39.74 3hm0 s TYR 23 CO 0.12 -0.35 1.71 0.28 -1.57 0.00 0.00 175.55 175.74 3hm0 h VAL 24 N 0.86 0.69 -0.10 0.71 2.07 -1.97 -0.06 116.25 118.45 3hm0 h VAL 24 Ca -0.38 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3hm0 h VAL 24 Cb 1.30 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3hm0 h VAL 24 CO 0.60 0.04 0.35 0.00 0.02 0.00 0.00 177.57 178.58 3hm0 h ALA 25 N 1.43 1.53 0.00 1.67 0.00 -2.01 -0.10 119.26 121.77 3hm0 h ALA 25 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3hm0 h ALA 25 Cb 0.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hm0 h ALA 25 CO -0.36 -0.40 -0.58 -0.44 0.00 0.00 0.00 179.25 177.47 3hm0 h ASP 26 N 0.00 0.00 -2.31 0.00 3.32 -1.39 -3.48 116.42 112.56 3hm0 h ASP 26 Ca 0.05 -0.08 -0.46 0.00 0.02 0.00 0.00 57.03 56.56 3hm0 h ASP 26 Cb 0.75 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.36 3hm0 h ASP 26 CO -0.00 0.04 0.05 0.42 -1.72 0.00 0.00 179.24 178.03 3hm0 s THR 27 N -3.23 2.35 0.31 0.35 -4.23 -0.05 -0.43 115.64 110.71 3hm0 s THR 27 Ca 0.05 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 59.98 3hm0 s THR 27 Cb 0.11 -2.73 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 3hm0 s THR 27 CO 0.72 0.00 0.21 1.51 -0.54 0.00 0.00 174.62 176.53 3hm0 s ASP 28 N -4.60 1.53 0.07 3.99 1.47 -0.20 -4.44 116.67 114.49 3hm0 s ASP 28 Ca 0.62 -1.65 0.05 0.00 1.18 0.00 0.00 52.55 52.74 3hm0 s ASP 28 Cb -0.08 0.49 0.25 0.00 -0.34 0.00 0.00 42.92 43.24 3hm0 s ASP 28 CO 0.42 -0.98 1.10 2.22 0.68 0.00 0.00 175.17 178.61 3hm0 n PHE 29 N -0.59 0.15 1.65 2.11 -0.00 -1.26 -0.89 117.46 118.63 3hm0 n PHE 29 Ca 0.04 0.08 0.14 0.00 -0.00 0.00 0.00 57.45 57.71 3hm0 n PHE 29 Cb 0.64 -0.59 0.65 0.00 -0.00 0.00 0.00 39.48 40.18 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 -1.63 1.05 0.00 5.98 3.41 -1.26 -4.93 113.62 116.24 3hm0 n SER 30 Ca -0.00 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 3hm0 n SER 30 Cb 0.06 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 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 1.12 1.17 3.81 5.00 0.00 -0.07 -5.05 105.19 111.18 3hm0 n GLY 31 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.48 2.88 0.16 1.61 -7.23 -1.25 -4.39 120.40 109.70 3hm0 s VAL 32 Ca 0.00 -1.49 -0.34 0.00 -1.81 0.00 0.00 61.98 58.34 3hm0 s VAL 32 Cb 0.00 -3.04 -0.14 0.00 0.56 0.00 0.00 36.38 33.76 3hm0 s VAL 32 CO 0.00 -0.08 1.48 0.52 -0.31 0.00 0.00 175.10 176.70 3hm0 n VAL 33 N -1.36 0.22 -2.16 1.32 0.31 -0.74 -1.03 118.33 114.89 3hm0 n VAL 33 Ca -0.00 -0.06 -0.41 0.00 -0.01 0.00 0.00 64.34 63.87 3hm0 n VAL 33 Cb 0.62 -1.34 -0.03 0.00 -0.91 0.00 0.00 33.84 32.18 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 0.58 3.14 0.30 3.52 5.04 0.43 -4.77 117.35 125.59 3hm0 s TYR 34 Ca 0.78 1.35 -0.02 0.00 -2.44 0.00 0.00 57.07 56.74 3hm0 s TYR 34 Cb -0.74 -3.64 0.46 0.00 0.35 0.00 0.00 41.96 38.39 3hm0 s TYR 34 CO 0.43 -1.84 1.95 1.12 -1.34 0.00 0.00 175.55 175.87 3hm0 h HIS 35 N 4.05 0.99 0.00 4.97 2.07 -1.93 -0.48 115.15 124.83 3hm0 h HIS 35 Ca -0.47 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.03 3hm0 h HIS 35 Cb 1.22 -0.33 -0.00 0.00 2.57 0.00 0.00 27.41 30.87 3hm0 h HIS 35 CO 0.58 0.65 -0.14 0.00 -3.07 0.00 0.00 177.93 175.95 3hm0 h ALA 36 N 1.48 1.26 0.00 6.11 0.00 -1.97 -2.47 119.26 123.67 3hm0 h ALA 36 Ca 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hm0 h ALA 36 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hm0 h ALA 36 CO -0.06 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3hm0 h ARG 37 N 0.00 0.00 -0.35 0.00 2.47 -1.42 -1.18 114.38 113.90 3hm0 h ARG 37 Ca -0.00 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 3hm0 h ARG 37 Cb 0.39 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 3hm0 h ARG 37 CO 0.02 0.00 0.01 1.88 0.56 0.00 0.00 179.97 182.44 3hm0 h TYR 38 N 0.00 0.55 0.00 3.04 0.05 -1.54 -0.03 116.97 119.04 3hm0 h TYR 38 Ca 0.00 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 3hm0 h TYR 38 Cb 0.59 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.16 3hm0 h TYR 38 CO 0.00 0.53 -0.04 -0.07 -1.05 0.00 0.00 178.16 177.53 3hm0 h LEU 39 N 0.51 0.00 0.01 3.88 4.07 -1.37 0.16 115.31 122.57 3hm0 h LEU 39 Ca 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 3hm0 h LEU 39 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 3hm0 h LEU 39 CO 0.01 0.04 -0.00 -0.33 -1.08 0.00 0.00 178.44 177.08 3hm0 h GLU 40 N 0.00 -0.01 -0.55 1.13 5.08 -1.10 -1.99 114.58 117.14 3hm0 h GLU 40 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3hm0 h GLU 40 Cb 0.10 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3hm0 h GLU 40 CO 0.01 0.51 0.34 0.74 -1.00 0.00 0.00 179.01 179.61 3hm0 h PHE 41 N -0.54 0.63 -0.67 4.33 0.04 -0.97 -1.06 116.94 118.71 3hm0 h PHE 41 Ca -0.00 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.88 3hm0 h PHE 41 Cb 0.53 -0.21 -0.07 0.00 2.20 0.00 0.00 35.95 38.40 3hm0 h PHE 41 CO 0.11 0.37 0.32 0.74 -0.60 0.00 0.00 178.31 179.25 3hm0 h PHE 42 N 0.67 0.58 -0.75 -0.55 0.04 -0.75 -1.19 116.94 114.99 3hm0 h PHE 42 Ca 0.22 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.98 3hm0 h PHE 42 Cb 0.01 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 3hm0 h PHE 42 CO -0.06 0.21 0.33 1.49 -0.60 0.00 0.00 178.31 179.68 3hm0 h GLU 43 N 0.56 1.11 -0.97 1.51 4.81 -0.55 0.36 114.58 121.40 3hm0 h GLU 43 Ca 0.33 -0.18 0.08 0.00 -0.13 0.00 0.00 59.36 59.45 3hm0 h GLU 43 Cb 0.35 -0.19 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 3hm0 h GLU 43 CO -0.27 0.88 0.62 0.00 -0.73 0.00 0.00 179.01 179.52 3hm0 h ARG 44 N 1.07 1.07 -0.49 1.92 3.08 -0.56 -0.99 114.38 119.48 3hm0 h ARG 44 Ca 0.26 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.25 3hm0 h ARG 44 Cb 0.16 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3hm0 h ARG 44 CO -0.03 0.71 0.31 0.78 -1.07 0.00 0.00 179.97 180.67 3hm0 h GLY 45 N 1.10 0.69 1.03 0.04 0.00 0.21 -1.84 103.07 104.30 3hm0 h GLY 45 Ca 0.43 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.44 3hm0 h GLY 45 CO -0.19 0.23 0.03 3.21 0.00 0.00 0.00 176.54 179.82 3hm0 h ARG 46 N 0.63 0.95 0.00 4.80 3.08 -0.48 -1.20 114.38 122.16 3hm0 h ARG 46 Ca 0.19 -0.29 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 3hm0 h ARG 46 Cb -0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3hm0 h ARG 46 CO -0.06 0.94 -0.53 0.77 -1.07 0.00 0.00 179.97 180.02 3hm0 h SER 47 N 0.84 0.00 1.06 7.04 0.02 -1.04 -1.70 113.55 119.76 3hm0 h SER 47 Ca 0.16 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.95 3hm0 h SER 47 Cb 0.49 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 3hm0 h SER 47 CO 0.02 0.53 -1.00 -0.33 -1.14 0.00 0.00 176.83 174.92 3hm0 h GLU 48 N 0.00 0.00 0.37 3.45 4.39 -1.28 -1.79 114.58 119.72 3hm0 h GLU 48 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3hm0 h GLU 48 Cb 0.96 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 3hm0 h GLU 48 CO 0.07 0.49 -0.18 0.35 -1.16 0.00 0.00 179.01 178.58 3hm0 h PHE 49 N 0.00 -0.46 -0.42 4.33 3.57 -1.05 -2.01 116.94 120.89 3hm0 h PHE 49 Ca -0.08 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.49 3hm0 h PHE 49 Cb 1.56 0.15 -0.09 0.00 2.79 0.00 0.00 35.95 40.36 3hm0 h PHE 49 CO 0.00 -0.22 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.62 3hm0 h LEU 50 N -0.62 -0.60 -1.52 0.59 3.38 -1.30 -1.11 115.31 114.13 3hm0 h LEU 50 Ca -0.05 0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.20 3hm0 h LEU 50 Cb 0.45 0.34 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 3hm0 h LEU 50 CO 0.08 -0.21 0.49 -0.09 0.09 0.00 0.00 178.44 178.81 3hm0 h ARG 51 N -0.09 0.49 0.00 1.13 2.43 -1.32 -0.71 114.38 116.31 3hm0 h ARG 51 Ca 0.21 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3hm0 h ARG 51 Cb 0.40 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3hm0 h ARG 51 CO -0.48 0.33 -0.14 -0.44 -1.51 0.00 0.00 179.97 177.73 3hm0 h ASP 52 N 0.51 0.00 0.00 -3.80 5.19 -0.42 -3.37 116.42 114.52 3hm0 h ASP 52 Ca 0.36 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.77 3hm0 h ASP 52 Cb 0.68 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.19 3hm0 h ASP 52 CO -0.12 0.14 0.00 0.35 -3.12 0.00 0.00 179.24 176.48 3hm0 n THR 53 N -3.47 0.00 -4.15 0.35 -2.24 -0.38 -5.10 114.28 99.29 3hm0 n THR 53 Ca -0.01 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.62 3hm0 n THR 53 Cb 0.30 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.13 3hm0 n THR 53 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hm0 s GLY 54 N -0.05 1.63 0.00 3.38 0.00 -0.55 -5.09 107.32 106.64 3hm0 s GLY 54 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.08 3hm0 s GLY 54 CO 0.00 -1.16 0.00 1.47 0.00 0.00 0.00 173.10 173.41 3hm0 n LEU 59 N -0.51 0.00 -0.08 0.66 -0.00 -1.26 -4.70 117.00 111.11 3hm0 n LEU 59 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.91 3hm0 n LEU 59 Cb 0.63 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.99 3hm0 n LEU 59 CO 0.30 0.00 0.60 -0.07 -0.00 0.00 0.00 177.39 178.22 3hm0 h LEU 60 N 0.00 0.58 -1.16 1.47 3.38 -1.95 -3.30 115.31 114.34 3hm0 h LEU 60 Ca 0.00 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 57.42 3hm0 h LEU 60 Cb 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3hm0 h LEU 60 CO 0.00 0.93 -0.42 0.00 0.09 0.00 0.00 178.44 179.04 3hm0 h ALA 61 N 0.68 1.30 -0.43 1.53 0.00 -1.90 -0.41 119.26 120.03 3hm0 h ALA 61 Ca 0.04 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 3hm0 h ALA 61 Cb 0.75 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3hm0 h ALA 61 CO 0.05 0.52 -0.10 0.66 0.00 0.00 0.00 179.25 180.39 3hm0 h SER 62 N 0.01 0.75 0.00 0.00 4.64 -1.91 -3.43 113.55 113.61 3hm0 h SER 62 Ca -0.00 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3hm0 h SER 62 Cb 0.74 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3hm0 h SER 62 CO 0.05 0.88 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 3hm0 n GLY 63 N -0.47 3.24 7.00 -0.77 0.00 -1.26 -4.95 105.19 107.97 3hm0 n GLY 63 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3hm0 n GLY 63 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3hm0 n VAL 64 N 0.00 0.00 0.96 1.61 3.14 -1.26 -2.11 118.33 120.67 3hm0 n VAL 64 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3hm0 n VAL 64 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3hm0 n VAL 64 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3hm0 n GLU 65 N 14.00 0.96 0.00 1.45 4.71 -1.26 -4.76 120.64 135.74 3hm0 n GLU 65 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3hm0 n GLU 65 Cb 0.00 -1.22 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 3hm0 n GLU 65 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hm0 n GLY 66 N 0.30 3.06 3.20 0.62 0.00 -0.90 -5.10 105.19 106.37 3hm0 n GLY 66 Ca 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 0.63 -0.04 1.61 -1.05 -1.07 -5.03 118.70 113.75 3hm0 s GLU 67 Ca 0.00 -0.33 -0.30 0.00 -0.15 0.00 0.00 54.97 54.20 3hm0 s GLU 67 Cb 0.00 0.27 -0.06 0.00 -0.44 0.00 0.00 34.13 33.90 3hm0 s GLU 67 CO 0.00 -0.17 1.66 -1.59 0.95 0.00 0.00 175.26 176.11 3hm0 s LYS 68 N -1.57 4.18 0.05 -4.83 -2.85 -1.26 -4.61 119.74 108.85 3hm0 s LYS 68 Ca -0.12 2.21 0.04 0.00 -1.00 0.00 0.00 55.97 57.09 3hm0 s LYS 68 Cb -0.05 -3.97 -0.04 0.00 -2.06 0.00 0.00 37.83 31.71 3hm0 s LYS 68 CO 0.02 -0.84 -0.01 -0.51 0.10 0.00 0.00 175.35 174.11 3hm0 s LEU 69 N 3.96 3.41 0.01 2.77 1.43 -0.16 -2.85 118.68 127.25 3hm0 s LEU 69 Ca 0.74 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 3hm0 s LEU 69 Cb -0.34 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 3hm0 s LEU 69 CO 0.30 0.22 -0.12 -0.36 0.23 0.00 0.00 176.35 176.62 3hm0 s PHE 70 N -1.19 1.05 0.28 0.29 0.08 0.41 -3.57 117.98 115.33 3hm0 s PHE 70 Ca 0.22 -0.26 -0.29 0.00 0.12 0.00 0.00 56.93 56.72 3hm0 s PHE 70 Cb -0.12 -0.65 -0.10 0.00 -0.57 0.00 0.00 43.02 41.59 3hm0 s PHE 70 CO 0.14 -0.00 1.18 -0.06 -0.10 0.00 0.00 175.22 176.38 3hm0 s PHE 71 N -0.53 3.40 -0.02 0.36 0.08 -1.26 -0.33 117.98 119.68 3hm0 s PHE 71 Ca 0.02 1.56 0.02 0.00 0.12 0.00 0.00 56.93 58.66 3hm0 s PHE 71 Cb -0.06 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 38.97 3hm0 s PHE 71 CO 0.00 -1.05 -0.09 0.54 -0.10 0.00 0.00 175.22 174.53 3hm0 s VAL 72 N -0.94 0.73 -0.35 -0.44 0.11 0.24 -4.91 120.40 114.84 3hm0 s VAL 72 Ca 0.47 -0.34 -0.27 0.00 -2.93 0.00 0.00 61.98 58.91 3hm0 s VAL 72 Cb -0.34 -0.65 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 3hm0 s VAL 72 CO 0.43 0.23 0.98 -0.69 -3.33 0.00 0.00 175.10 172.72 3hm0 s VAL 73 N 0.12 4.56 -0.06 2.04 1.01 -1.26 -1.05 120.40 125.77 3hm0 s VAL 73 Ca -0.02 1.41 0.02 0.00 0.00 0.00 0.00 61.98 63.39 3hm0 s VAL 73 Cb -0.07 -4.36 -0.25 0.00 0.00 0.00 0.00 36.38 31.70 3hm0 s VAL 73 CO 0.00 -0.50 0.60 0.03 0.00 0.00 0.00 175.10 175.23 3hm0 h ARG 74 N 8.31 0.16 -2.47 2.72 2.47 -0.49 -3.49 114.38 121.59 3hm0 h ARG 74 Ca -0.22 -0.27 -0.09 0.00 -1.26 0.00 0.00 59.98 58.14 3hm0 h ARG 74 Cb 1.07 0.10 -0.23 0.00 -1.65 0.00 0.00 29.97 29.26 3hm0 h ARG 74 CO 1.00 0.92 -0.10 -1.58 0.56 0.00 0.00 179.97 180.76 3hm0 s HIS 75 N -2.59 -0.59 -0.03 3.04 2.46 -1.12 -4.97 115.29 111.50 3hm0 s HIS 75 Ca -0.12 1.42 -0.02 0.00 0.47 0.00 0.00 55.06 56.81 3hm0 s HIS 75 Cb 0.07 0.21 0.02 0.00 -0.13 0.00 0.00 32.58 32.75 3hm0 s HIS 75 CO 0.81 -0.28 0.07 1.41 -2.47 0.00 0.00 174.74 174.28 3hm0 s MET 76 N 0.33 0.04 -0.12 2.88 1.75 -1.26 0.15 119.30 123.07 3hm0 s MET 76 Ca -0.00 0.18 0.03 0.00 -1.25 0.00 0.00 55.69 54.65 3hm0 s MET 76 Cb -0.04 -0.11 0.00 0.00 2.84 0.00 0.00 34.83 37.52 3hm0 s MET 76 CO -0.00 -0.10 -0.21 -2.00 -0.65 0.00 0.00 175.02 172.06 3hm0 s GLU 77 N 0.64 3.09 -0.04 4.11 2.12 -0.26 -5.00 118.70 123.37 3hm0 s GLU 77 Ca -0.05 -0.83 0.01 0.00 0.36 0.00 0.00 54.97 54.46 3hm0 s GLU 77 Cb -0.07 -2.42 0.02 0.00 0.26 0.00 0.00 34.13 31.91 3hm0 s GLU 77 CO -0.02 0.09 -0.06 0.42 -0.54 0.00 0.00 175.26 175.15 3hm0 s ILE 78 N 0.57 0.61 -0.20 -3.70 1.01 -1.26 -1.56 121.20 116.67 3hm0 s ILE 78 Ca -0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 3hm0 s ILE 78 Cb -0.17 -0.60 0.01 0.00 0.01 0.00 0.00 42.46 41.71 3hm0 s ILE 78 CO 0.04 0.23 -0.12 0.20 0.00 0.00 0.00 174.94 175.28 3hm0 s ASN 79 N 0.72 3.72 -0.43 3.58 0.01 0.05 -4.99 114.94 117.60 3hm0 s ASN 79 Ca -0.10 -0.56 -0.14 0.00 -0.71 0.00 0.00 52.86 51.34 3hm0 s ASN 79 Cb -0.13 -1.60 0.04 0.00 0.41 0.00 0.00 41.25 39.97 3hm0 s ASN 79 CO 0.01 -0.02 0.32 -0.36 -1.51 0.00 0.00 177.10 175.54 3hm0 s PHE 80 N 1.37 3.25 -0.15 2.20 0.08 -1.26 -0.87 117.98 122.60 3hm0 s PHE 80 Ca 0.05 -0.79 0.10 0.00 0.12 0.00 0.00 56.93 56.41 3hm0 s PHE 80 Cb -0.14 -2.79 -0.16 0.00 -0.57 0.00 0.00 43.02 39.37 3hm0 s PHE 80 CO -0.08 -0.68 0.00 -1.13 -0.10 0.00 0.00 175.22 173.23 3hm0 n SER 81 N 5.15 1.82 -4.00 1.36 3.41 0.32 -5.02 113.62 116.66 3hm0 n SER 81 Ca -0.12 -0.02 -0.09 0.00 -0.26 0.00 0.00 58.87 58.39 3hm0 n SER 81 Cb 0.46 0.59 -0.11 0.00 -0.26 0.00 0.00 64.21 64.89 3hm0 n SER 81 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hm0 s ARG 82 N -2.34 0.42 0.26 4.33 0.52 -0.43 -5.04 118.95 116.67 3hm0 s ARG 82 Ca -0.11 -0.78 -0.07 0.00 -0.52 0.00 0.00 55.73 54.25 3hm0 s ARG 82 Cb 0.05 0.15 -0.06 0.00 0.52 0.00 0.00 34.95 35.60 3hm0 s ARG 82 CO 0.53 -0.08 0.55 -1.25 0.02 0.00 0.00 175.30 175.08 3hm0 s PRO 83 N -2.19 3.72 0.20 3.54 0.04 -1.26 -4.52 135.00 134.53 3hm0 s PRO 83 Ca -0.09 0.15 0.01 0.00 0.04 0.00 0.00 61.00 61.11 3hm0 s PRO 83 Cb -0.05 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 3hm0 s PRO 83 CO -0.04 0.27 0.37 0.00 0.04 0.00 0.00 177.00 177.64 3hm0 s ALA 84 N -1.94 3.88 0.29 8.56 0.00 -1.26 -5.00 121.76 126.29 3hm0 s ALA 84 Ca 0.46 -0.95 0.09 0.00 0.00 0.00 0.00 51.96 51.55 3hm0 s ALA 84 Cb -0.11 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 3hm0 s ALA 84 CO 0.25 0.40 0.05 -0.65 0.00 0.00 0.00 175.76 175.82 3hm0 s GLN 85 N -3.47 2.33 0.24 0.00 -1.52 -1.26 -1.80 119.66 114.19 3hm0 s GLN 85 Ca 0.37 -1.46 -0.28 0.00 -1.95 0.00 0.00 55.36 52.03 3hm0 s GLN 85 Cb -0.11 -2.17 -0.16 0.00 -0.22 0.00 0.00 33.01 30.36 3hm0 s GLN 85 CO 0.29 0.27 0.75 1.51 -0.25 0.00 0.00 175.29 177.87 3hm0 n ILE 86 N -0.99 1.99 0.00 1.08 0.13 -1.26 -2.02 119.36 118.29 3hm0 n ILE 86 Ca -0.05 -0.50 0.00 0.00 -1.10 0.00 0.00 62.75 61.10 3hm0 n ILE 86 Cb 0.60 -0.46 0.00 0.00 -0.84 0.00 0.00 39.64 38.93 3hm0 n ILE 86 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 3hm0 n ASP 87 N 1.64 0.00 -4.65 9.51 8.00 -0.67 -4.99 116.55 125.38 3hm0 n ASP 87 Ca 0.14 0.00 -0.47 0.00 0.71 0.00 0.00 54.79 55.18 3hm0 n ASP 87 Cb 0.28 -0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 3hm0 n ASP 87 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hm0 n ASN 88 N 0.00 2.71 -4.60 -2.24 5.03 -0.86 -4.58 115.26 110.72 3hm0 n ASN 88 Ca 0.00 1.11 -0.42 0.00 0.87 0.00 0.00 54.58 56.14 3hm0 n ASN 88 Cb 0.00 -1.38 -0.05 0.00 -1.02 0.00 0.00 39.78 37.32 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 0.60 4.12 0.09 3.41 2.96 -1.26 -0.81 118.68 127.79 3hm0 s LEU 89 Ca 0.76 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 55.21 3hm0 s LEU 89 Cb -0.72 -2.98 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 3hm0 s LEU 89 CO 0.43 -0.59 0.17 -0.76 -1.32 0.00 0.00 176.35 174.27 3hm0 s LEU 90 N 2.87 4.11 -0.18 -0.68 1.43 -0.46 -4.49 118.68 121.28 3hm0 s LEU 90 Ca 0.30 0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.50 3hm0 s LEU 90 Cb -0.14 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 3hm0 s LEU 90 CO 0.13 0.15 -0.10 -0.89 0.23 0.00 0.00 176.35 175.87 3hm0 s THR 91 N -1.52 3.05 -0.17 5.49 2.01 0.13 -1.75 115.64 122.89 3hm0 s THR 91 Ca 0.33 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.64 3hm0 s THR 91 Cb -0.12 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 3hm0 s THR 91 CO 0.26 0.48 0.03 -0.63 -0.69 0.00 0.00 174.62 174.06 3hm0 s ILE 92 N 1.05 4.49 -0.19 1.82 1.01 0.22 -0.05 121.20 129.56 3hm0 s ILE 92 Ca -0.00 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.52 3hm0 s ILE 92 Cb -0.15 -3.00 0.03 0.00 0.01 0.00 0.00 42.46 39.35 3hm0 s ILE 92 CO -0.02 0.48 -0.17 -0.54 0.00 0.00 0.00 174.94 174.70 3hm0 s LYS 93 N 0.25 2.69 0.05 2.79 1.02 -0.23 -0.66 119.74 125.66 3hm0 s LYS 93 Ca 0.02 -0.86 0.06 0.00 0.02 0.00 0.00 55.97 55.21 3hm0 s LYS 93 Cb -0.13 -2.52 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 3hm0 s LYS 93 CO 0.01 -0.28 -0.17 0.99 -0.92 0.00 0.00 175.35 174.98 3hm0 s THR 94 N 1.31 1.35 -0.01 2.17 2.01 -0.22 -2.08 115.64 120.17 3hm0 s THR 94 Ca 0.03 -1.13 -0.29 0.00 0.31 0.00 0.00 61.69 60.61 3hm0 s THR 94 Cb -0.14 -1.20 0.08 0.00 0.01 0.00 0.00 72.50 71.25 3hm0 s THR 94 CO -0.11 0.05 0.73 0.00 -0.69 0.00 0.00 174.62 174.60 3hm0 s ARG 95 N -1.26 1.02 -0.19 4.92 1.70 -1.13 0.10 118.95 124.11 3hm0 s ARG 95 Ca 0.04 -0.01 -0.27 0.00 -0.47 0.00 0.00 55.73 55.01 3hm0 s ARG 95 Cb -0.08 0.48 -0.00 0.00 -0.57 0.00 0.00 34.95 34.77 3hm0 s ARG 95 CO 0.02 -0.37 0.92 0.42 -1.08 0.00 0.00 175.30 175.21 3hm0 s ILE 96 N -2.07 4.80 -0.20 4.99 1.01 -1.26 -1.92 121.20 126.55 3hm0 s ILE 96 Ca -0.05 1.80 0.22 0.00 0.00 0.00 0.00 60.65 62.62 3hm0 s ILE 96 Cb -0.00 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 3hm0 s ILE 96 CO 0.01 -0.06 0.96 -1.54 0.00 0.00 0.00 174.94 174.30 3hm0 n SER 97 N 5.70 0.77 -3.64 3.58 3.41 0.54 -4.93 113.62 119.04 3hm0 n SER 97 Ca 0.08 0.31 -0.03 0.00 -0.26 0.00 0.00 58.87 58.96 3hm0 n SER 97 Cb 0.48 0.54 -0.07 0.00 -0.26 0.00 0.00 64.21 64.90 3hm0 n SER 97 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3hm0 s ARG 98 N -3.31 0.38 -0.12 4.33 3.52 -1.20 -5.00 118.95 117.54 3hm0 s ARG 98 Ca -0.02 0.60 0.00 0.00 -0.13 0.00 0.00 55.73 56.19 3hm0 s ARG 98 Cb 0.10 0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.57 3hm0 s ARG 98 CO 0.80 -0.07 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.92 3hm0 s LEU 99 N 1.08 2.70 0.00 -0.88 2.96 -1.26 -0.69 118.68 122.59 3hm0 s LEU 99 Ca -0.06 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3hm0 s LEU 99 Cb -0.04 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 45.05 3hm0 s LEU 99 CO -0.13 0.18 0.28 0.00 -1.32 0.00 0.00 176.35 175.36 3hm0 n GLN 100 N 3.43 1.68 0.00 1.98 6.02 0.68 -5.00 117.38 126.16 3hm0 n GLN 100 Ca -0.18 -0.28 0.00 0.00 -0.01 0.00 0.00 57.00 56.53 3hm0 n GLN 100 Cb 0.53 -0.75 0.00 0.00 1.02 0.00 0.00 30.24 31.03 3hm0 n GLN 100 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hm0 n GLY 101 N 0.32 2.75 0.01 1.08 0.00 -1.26 -4.55 105.19 103.53 3hm0 n GLY 101 Ca 0.00 -0.68 0.08 0.00 0.00 0.00 0.00 46.02 45.41 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 4.09 -3.40 4.61 0.00 -1.26 -0.55 120.51 124.00 3hm0 n ALA 102 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 53.44 52.83 3hm0 n ALA 102 Cb 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 3hm0 n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3hm0 s ARG 103 N -2.51 1.02 0.37 0.00 1.70 -1.26 -4.17 118.95 114.11 3hm0 s ARG 103 Ca 0.06 -0.04 0.05 0.00 -0.47 0.00 0.00 55.73 55.33 3hm0 s ARG 103 Cb 0.12 0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 34.91 3hm0 s ARG 103 CO 0.66 -0.35 0.04 -0.59 -1.08 0.00 0.00 175.30 173.98 3hm0 s PHE 104 N -1.90 2.16 -0.02 5.89 -0.71 -0.65 -0.23 117.98 122.52 3hm0 s PHE 104 Ca -0.08 -0.87 0.03 0.00 -1.04 0.00 0.00 56.93 54.97 3hm0 s PHE 104 Cb -0.01 -1.48 0.00 0.00 -1.21 0.00 0.00 43.02 40.32 3hm0 s PHE 104 CO 0.03 0.17 -0.09 -0.06 -1.34 0.00 0.00 175.22 173.93 3hm0 s PHE 105 N -3.05 0.91 0.19 3.49 0.40 0.13 -1.70 117.98 118.35 3hm0 s PHE 105 Ca 0.34 -0.21 0.09 0.00 -0.60 0.00 0.00 56.93 56.55 3hm0 s PHE 105 Cb 0.09 -0.64 -0.04 0.00 0.51 0.00 0.00 43.02 42.94 3hm0 s PHE 105 CO 0.16 -0.08 -0.19 -1.64 0.70 0.00 0.00 175.22 174.17 3hm0 s MET 106 N 0.09 1.37 -0.08 0.44 -1.94 -0.11 -0.34 119.30 118.73 3hm0 s MET 106 Ca -0.01 -1.49 0.04 0.00 -1.71 0.00 0.00 55.69 52.52 3hm0 s MET 106 Cb -0.07 -1.46 0.00 0.00 2.01 0.00 0.00 34.83 35.31 3hm0 s MET 106 CO 0.00 0.29 -0.20 -2.00 -0.01 0.00 0.00 175.02 173.11 3hm0 s GLU 107 N -2.92 2.47 0.05 2.03 2.12 -0.81 -1.48 118.70 120.16 3hm0 s GLU 107 Ca 0.19 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 54.81 3hm0 s GLU 107 Cb -0.06 -1.95 -0.03 0.00 0.26 0.00 0.00 34.13 32.36 3hm0 s GLU 107 CO 0.08 0.17 -0.07 -0.65 -0.54 0.00 0.00 175.26 174.25 3hm0 s GLN 108 N 0.34 0.54 -0.11 4.30 -0.21 -0.28 -2.81 119.66 121.42 3hm0 s GLN 108 Ca -0.14 -0.82 -0.09 0.00 0.02 0.00 0.00 55.36 54.32 3hm0 s GLN 108 Cb -0.16 -0.22 0.03 0.00 1.00 0.00 0.00 33.01 33.67 3hm0 s GLN 108 CO 0.06 0.02 0.29 0.71 -2.12 0.00 0.00 175.29 174.26 3hm0 s TYR 109 N -1.73 -0.34 -0.17 0.91 2.02 -0.88 -0.61 117.35 116.55 3hm0 s TYR 109 Ca -0.08 0.81 -0.03 0.00 -0.37 0.00 0.00 57.07 57.41 3hm0 s TYR 109 Cb -0.08 0.11 -0.02 0.00 -0.40 0.00 0.00 41.96 41.57 3hm0 s TYR 109 CO -0.01 -0.18 -0.06 0.42 -1.57 0.00 0.00 175.55 174.16 3hm0 s ILE 110 N 0.41 3.57 0.28 2.71 1.01 -0.36 -1.06 121.20 127.75 3hm0 s ILE 110 Ca -0.02 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.25 3hm0 s ILE 110 Cb -0.04 -2.57 -0.06 0.00 0.01 0.00 0.00 42.46 39.81 3hm0 s ILE 110 CO -0.02 0.48 -0.10 -0.76 0.00 0.00 0.00 174.94 174.54 3hm0 s LEU 111 N 0.67 2.56 -0.32 2.97 1.02 0.93 -1.48 118.68 125.03 3hm0 s LEU 111 Ca -0.03 -1.14 0.03 0.00 0.02 0.00 0.00 54.13 53.01 3hm0 s LEU 111 Cb -0.15 -0.79 0.09 0.00 0.02 0.00 0.00 46.19 45.36 3hm0 s LEU 111 CO 0.02 -0.22 0.00 -2.28 0.02 0.00 0.00 176.35 173.89 3hm0 s HIS 112 N -2.85 3.58 0.00 0.29 5.65 -0.60 0.22 115.29 121.58 3hm0 s HIS 112 Ca 0.29 -2.72 0.00 0.00 0.25 0.00 0.00 55.06 52.88 3hm0 s HIS 112 Cb 0.01 -2.58 0.00 0.00 -1.18 0.00 0.00 32.58 28.83 3hm0 s HIS 112 CO 0.12 -0.92 0.00 0.41 -0.65 0.00 0.00 174.74 173.70 3hm0 n GLY 113 N 4.34 2.99 0.02 1.59 0.00 -1.26 -1.54 105.19 111.33 3hm0 n GLY 113 Ca -0.03 0.29 0.11 0.00 0.00 0.00 0.00 46.02 46.39 3hm0 n GLY 113 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hm0 n GLU 114 N 8.66 0.18 -2.76 1.61 -0.00 -1.26 -4.92 120.64 122.14 3hm0 n GLU 114 Ca 0.00 -0.00 -0.42 0.00 -0.00 0.00 0.00 57.16 56.74 3hm0 n GLU 114 Cb 0.00 -1.56 -0.03 0.00 -0.00 0.00 0.00 31.44 29.85 3hm0 n GLU 114 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3hm0 s SER 115 N -3.58 7.21 -0.17 -1.84 0.15 -0.59 -5.02 113.70 109.86 3hm0 s SER 115 Ca 0.06 1.48 -0.29 0.00 0.70 0.00 0.00 55.95 57.89 3hm0 s SER 115 Cb 0.15 -2.53 -0.00 0.00 -1.71 0.00 0.00 66.02 61.93 3hm0 s SER 115 CO 0.79 -0.36 1.05 -0.32 1.20 0.00 0.00 173.24 175.60 3hm0 s MET 116 N 1.66 4.32 -0.22 5.44 1.75 -1.26 -1.56 119.30 129.43 3hm0 s MET 116 Ca 0.47 1.41 -0.14 0.00 -1.25 0.00 0.00 55.69 56.18 3hm0 s MET 116 Cb -0.19 -3.61 -0.09 0.00 2.84 0.00 0.00 34.83 33.78 3hm0 s MET 116 CO 0.20 -0.51 -0.32 1.28 -0.65 0.00 0.00 175.02 175.02 3hm0 n LEU 117 N 5.79 1.79 -3.85 4.11 4.77 -0.55 -4.22 117.00 124.84 3hm0 n LEU 117 Ca 0.11 0.31 -0.12 0.00 -0.03 0.00 0.00 56.01 56.28 3hm0 n LEU 117 Cb 0.47 -0.73 -0.13 0.00 -2.33 0.00 0.00 43.42 40.71 3hm0 n LEU 117 CO 0.52 0.26 -0.25 -0.69 -1.33 0.00 0.00 177.39 175.90 3hm0 s VAL 118 N -2.57 0.01 0.10 4.08 1.01 -1.12 -0.52 120.40 121.39 3hm0 s VAL 118 Ca -0.32 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 61.64 3hm0 s VAL 118 Cb 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.27 3hm0 s VAL 118 CO 0.42 -0.06 -0.26 0.42 0.00 0.00 0.00 175.10 175.63 3hm0 s THR 119 N -0.16 2.11 -0.05 3.92 -4.23 -0.05 -1.23 115.64 115.95 3hm0 s THR 119 Ca -0.02 -1.61 -0.09 0.00 -1.18 0.00 0.00 61.69 58.78 3hm0 s THR 119 Cb -0.02 -1.86 0.02 0.00 1.34 0.00 0.00 72.50 71.98 3hm0 s THR 119 CO 0.00 0.13 0.22 0.00 -0.54 0.00 0.00 174.62 174.44 3hm0 s ALA 120 N -1.00 -0.55 -0.18 3.99 0.00 0.22 -0.77 121.76 123.47 3hm0 s ALA 120 Ca 0.12 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 3hm0 s ALA 120 Cb -0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 3hm0 s ALA 120 CO 0.05 -0.17 -0.09 0.15 0.00 0.00 0.00 175.76 175.70 3hm0 s LYS 121 N -0.58 3.37 -0.04 0.00 -0.14 -0.60 -1.12 119.74 120.62 3hm0 s LYS 121 Ca -0.07 -0.66 0.06 0.00 -1.36 0.00 0.00 55.97 53.95 3hm0 s LYS 121 Cb -0.04 -2.82 -0.01 0.00 -1.68 0.00 0.00 37.83 33.28 3hm0 s LYS 121 CO 0.01 -0.01 -0.23 0.08 -0.76 0.00 0.00 175.35 174.44 3hm0 s VAL 122 N 0.95 1.89 -0.21 3.17 1.01 -0.55 -1.10 120.40 125.55 3hm0 s VAL 122 Ca -0.01 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 3hm0 s VAL 122 Cb -0.15 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 3hm0 s VAL 122 CO -0.00 0.53 0.00 -0.70 0.00 0.00 0.00 175.10 174.93 3hm0 s GLU 123 N -0.23 3.57 -0.16 2.72 2.12 0.12 -0.93 118.70 125.90 3hm0 s GLU 123 Ca -0.00 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 54.80 3hm0 s GLU 123 Cb -0.12 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.18 3hm0 s GLU 123 CO 0.02 -0.07 -0.20 0.42 -0.54 0.00 0.00 175.26 174.89 3hm0 s ILE 124 N 1.21 2.12 0.54 -3.70 -1.09 -0.69 0.33 121.20 119.94 3hm0 s ILE 124 Ca 0.03 -0.94 0.04 0.00 -2.23 0.00 0.00 60.65 57.55 3hm0 s ILE 124 Cb -0.15 -1.87 0.03 0.00 -1.58 0.00 0.00 42.46 38.89 3hm0 s ILE 124 CO 0.01 0.54 0.28 0.00 -1.23 0.00 0.00 174.94 174.54 3hm0 s ALA 125 N 1.08 4.38 -0.04 9.38 0.00 -0.21 -1.63 121.76 134.71 3hm0 s ALA 125 Ca -0.00 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.14 3hm0 s ALA 125 Cb -0.14 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 3hm0 s ALA 125 CO -0.08 -0.31 -0.25 -1.17 0.00 0.00 0.00 175.76 173.95 3hm0 s LEU 126 N -4.16 2.06 0.07 0.00 2.96 -1.26 -0.59 118.68 117.75 3hm0 s LEU 126 Ca 0.23 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 3hm0 s LEU 126 Cb -0.01 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 3hm0 s LEU 126 CO 0.15 0.27 -0.05 0.27 -1.32 0.00 0.00 176.35 175.67 3hm0 s ILE 127 N -0.35 0.42 0.66 6.68 -4.36 0.55 -2.06 121.20 122.75 3hm0 s ILE 127 Ca 0.02 -1.74 0.04 0.00 -0.26 0.00 0.00 60.65 58.72 3hm0 s ILE 127 Cb -0.12 -1.42 0.12 0.00 1.25 0.00 0.00 42.46 42.29 3hm0 s ILE 127 CO 0.02 -0.87 0.91 0.54 0.24 0.00 0.00 174.94 175.78 3hm0 s ASN 128 N -2.76 4.64 0.26 4.36 2.20 -0.87 0.16 114.94 122.92 3hm0 s ASN 128 Ca 0.06 -0.65 -0.04 0.00 -0.94 0.00 0.00 52.86 51.28 3hm0 s ASN 128 Cb 0.04 0.24 0.51 0.00 -2.00 0.00 0.00 41.25 40.04 3hm0 s ASN 128 CO -0.07 -1.67 1.65 -0.08 -2.94 0.00 0.00 177.10 173.99 3hm0 h GLU 129 N -0.23 0.15 -0.10 3.55 4.81 -1.89 0.27 114.58 121.15 3hm0 h GLU 129 Ca -0.32 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3hm0 h GLU 129 Cb 1.28 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3hm0 h GLU 129 CO 0.39 0.10 0.00 -0.85 -0.73 0.00 0.00 179.01 177.92 3hm0 n GLU 130 N -5.28 1.31 -0.79 1.92 0.00 -1.26 -4.92 120.64 111.61 3hm0 n GLU 130 Ca 0.16 -0.47 0.00 0.00 0.00 0.00 0.00 57.16 56.85 3hm0 n GLU 130 Cb 0.52 -1.23 0.00 0.00 0.00 0.00 0.00 31.44 30.73 3hm0 n GLU 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3hm0 n GLY 131 N 0.83 0.57 3.79 -1.84 0.00 0.95 -5.06 105.19 104.43 3hm0 n GLY 131 Ca 0.10 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 3hm0 n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hm0 s LYS 132 N -1.60 4.36 0.43 1.61 1.02 -1.26 -4.79 119.74 119.50 3hm0 s LYS 132 Ca 0.00 0.90 -0.26 0.00 0.02 0.00 0.00 55.97 56.64 3hm0 s LYS 132 Cb 0.00 -3.27 -0.08 0.00 -0.52 0.00 0.00 37.83 33.95 3hm0 s LYS 132 CO 0.00 0.55 1.35 -2.14 -0.92 0.00 0.00 175.35 174.19 3hm0 s PRO 133 N -0.89 3.84 0.07 -1.68 0.02 -1.26 -2.05 135.00 133.06 3hm0 s PRO 133 Ca 0.32 2.25 0.03 0.00 0.02 0.00 0.00 61.00 63.63 3hm0 s PRO 133 Cb -0.21 -2.70 -0.03 0.00 0.02 0.00 0.00 34.50 31.58 3hm0 s PRO 133 CO 0.21 -0.63 -0.10 1.03 -0.33 0.00 0.00 177.00 177.19 3hm0 s ARG 134 N -2.34 0.71 0.97 5.54 1.81 -0.87 -4.90 118.95 119.86 3hm0 s ARG 134 Ca 0.59 -0.97 -0.13 0.00 -1.72 0.00 0.00 55.73 53.50 3hm0 s ARG 134 Cb -0.40 -0.46 0.17 0.00 -0.45 0.00 0.00 34.95 33.81 3hm0 s ARG 134 CO 0.52 0.08 1.14 1.03 -0.68 0.00 0.00 175.30 177.38 3hm0 s ARG 135 N -2.18 0.66 0.03 3.54 0.52 -1.26 -4.30 118.95 115.95 3hm0 s ARG 135 Ca -0.02 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.42 3hm0 s ARG 135 Cb -0.06 -1.79 -0.04 0.00 0.52 0.00 0.00 34.95 33.58 3hm0 s ARG 135 CO 0.00 -2.51 0.11 -0.51 0.02 0.00 0.00 175.30 172.40 3hm0 s LEU 136 N -6.22 3.97 0.00 2.53 1.43 0.29 -4.98 118.68 115.70 3hm0 s LEU 136 Ca 0.66 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 3hm0 s LEU 136 Cb -0.14 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.63 3hm0 s LEU 136 CO 0.54 0.23 0.00 -0.81 0.23 0.00 0.00 176.35 176.54 3hm0 n PRO 137 N 0.85 1.71 -3.01 1.29 -0.04 -1.26 -4.98 135.00 129.55 3hm0 n PRO 137 Ca -0.11 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.96 3hm0 n PRO 137 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 3hm0 n PRO 137 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3hm0 s LYS 138 N 0.00 4.47 0.00 0.54 0.00 -1.26 -5.10 119.74 118.38 3hm0 s LYS 138 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 55.97 56.98 3hm0 s LYS 138 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 37.83 34.46 3hm0 s LYS 138 CO 0.00 0.26 0.36 -0.85 0.00 0.00 0.00 175.35 175.13