#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hd1 s VAL 2 N 0.00 4.97 -0.15 12.58 1.01 -1.26 -0.74 120.40 136.81 3hd1 s VAL 2 Ca 0.00 0.56 -0.07 0.00 0.00 0.00 0.00 61.98 62.47 3hd1 s VAL 2 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3hd1 s VAL 2 CO 0.00 -0.20 0.11 0.00 0.00 0.00 0.00 175.10 175.00 3hd1 s ALA 3 N 2.53 3.67 -0.23 5.51 0.00 0.59 -0.72 121.76 133.10 3hd1 s ALA 3 Ca 0.22 -0.69 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 3hd1 s ALA 3 Cb -0.15 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 3hd1 s ALA 3 CO 0.13 0.42 0.06 0.71 0.00 0.00 0.00 175.76 177.08 3hd1 s TYR 4 N -0.39 3.10 -0.13 0.00 2.02 -0.21 -0.31 117.35 121.43 3hd1 s TYR 4 Ca 0.11 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 3hd1 s TYR 4 Cb -0.12 -2.20 -0.01 0.00 -0.40 0.00 0.00 41.96 39.24 3hd1 s TYR 4 CO 0.01 -0.26 -0.16 0.42 -1.57 0.00 0.00 175.55 174.00 3hd1 s ILE 5 N 1.35 2.74 -0.04 2.71 1.01 -0.15 -0.09 121.20 128.72 3hd1 s ILE 5 Ca 0.05 -0.77 -0.20 0.00 0.00 0.00 0.00 60.65 59.74 3hd1 s ILE 5 Cb -0.15 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 3hd1 s ILE 5 CO 0.03 0.53 0.56 0.00 0.00 0.00 0.00 174.94 176.06 3hd1 s ALA 6 N 0.49 3.49 -0.17 9.38 0.00 0.58 -0.99 121.76 134.54 3hd1 s ALA 6 Ca -0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 3hd1 s ALA 6 Cb -0.16 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 3hd1 s ALA 6 CO 0.05 0.12 -0.06 0.42 0.00 0.00 0.00 175.76 176.29 3hd1 s ILE 7 N 0.04 3.51 -0.04 0.00 1.01 0.12 -1.59 121.20 124.26 3hd1 s ILE 7 Ca 0.30 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.51 3hd1 s ILE 7 Cb -0.17 -2.54 -0.00 0.00 0.01 0.00 0.00 42.46 39.75 3hd1 s ILE 7 CO 0.15 0.48 -0.15 -0.83 0.00 0.00 0.00 174.94 174.58 3hd1 s GLY 8 N 0.72 0.84 -0.04 6.18 0.00 -0.27 -1.33 107.32 113.41 3hd1 s GLY 8 Ca -0.03 -0.61 0.04 0.00 0.00 0.00 0.00 44.72 44.12 3hd1 s GLY 8 CO 0.02 -0.28 -0.16 -0.45 0.00 0.00 0.00 173.10 172.23 3hd1 s SER 9 N 0.10 1.99 0.00 1.64 0.15 -0.44 -0.43 113.70 116.71 3hd1 s SER 9 Ca -0.04 -0.32 0.23 0.00 0.70 0.00 0.00 55.95 56.52 3hd1 s SER 9 Cb -0.11 -0.59 0.48 0.00 -1.71 0.00 0.00 66.02 64.10 3hd1 s SER 9 CO 0.02 0.13 1.43 0.00 1.20 0.00 0.00 173.24 176.01 3hd1 n ALA 10 N 3.23 2.47 -1.77 5.45 0.00 -0.54 -1.38 120.51 127.97 3hd1 n ALA 10 Ca -0.19 -0.77 -0.36 0.00 0.00 0.00 0.00 53.44 52.12 3hd1 n ALA 10 Cb 0.53 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 3hd1 n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hd1 s LEU 11 N -1.69 3.95 0.30 0.00 1.43 -1.26 -4.60 118.68 116.80 3hd1 s LEU 11 Ca 0.35 2.27 -0.01 0.00 -1.03 0.00 0.00 54.13 55.70 3hd1 s LEU 11 Cb 0.21 -4.33 0.49 0.00 0.03 0.00 0.00 46.19 42.59 3hd1 s LEU 11 CO 0.30 -0.99 1.95 0.00 0.23 0.00 0.00 176.35 177.85 3hd1 h ALA 12 N 1.83 1.46 -2.87 4.21 0.00 -1.95 -3.29 119.26 118.66 3hd1 h ALA 12 Ca -0.49 -0.04 -0.61 0.00 0.00 0.00 0.00 54.91 53.76 3hd1 h ALA 12 Cb 1.25 -0.31 -0.40 0.00 0.00 0.00 0.00 17.79 18.33 3hd1 h ALA 12 CO 0.59 0.46 -0.75 0.45 0.00 0.00 0.00 179.25 180.01 3hd1 s SER 13 N -6.20 3.46 0.00 0.00 0.15 -1.26 -4.96 113.70 104.88 3hd1 s SER 13 Ca -0.11 -3.11 0.27 0.00 0.70 0.00 0.00 55.95 53.70 3hd1 s SER 13 Cb 0.19 -1.08 0.93 0.00 -1.71 0.00 0.00 66.02 64.35 3hd1 s SER 13 CO 0.79 -0.19 1.68 -0.81 1.20 0.00 0.00 173.24 175.91 3hd1 n PRO 14 N 2.89 0.68 -0.31 5.44 -0.04 -1.24 -4.47 135.00 137.95 3hd1 n PRO 14 Ca 0.17 -0.33 -0.05 0.00 -0.04 0.00 0.00 63.50 63.25 3hd1 n PRO 14 Cb 0.38 -1.49 0.09 0.00 -0.04 0.00 0.00 33.50 32.43 3hd1 n PRO 14 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3hd1 h LEU 15 N 0.82 1.10 -0.56 1.53 3.38 -1.94 -0.85 115.31 118.78 3hd1 h LEU 15 Ca 0.00 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 3hd1 h LEU 15 Cb 0.45 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3hd1 h LEU 15 CO 0.00 0.93 -0.69 -0.33 0.09 0.00 0.00 178.44 178.43 3hd1 h GLU 16 N 1.20 0.00 -0.22 1.13 5.08 -2.00 -0.36 114.58 119.41 3hd1 h GLU 16 Ca 0.29 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 3hd1 h GLU 16 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3hd1 h GLU 16 CO -0.04 0.69 -0.19 0.37 -1.00 0.00 0.00 179.01 178.85 3hd1 h GLN 17 N 0.00 0.52 -0.64 2.33 4.15 -1.78 -2.43 115.11 117.26 3hd1 h GLN 17 Ca -0.01 -0.26 -0.06 0.00 0.77 0.00 0.00 58.65 59.09 3hd1 h GLN 17 Cb 1.26 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.93 3hd1 h GLN 17 CO 0.09 0.84 0.18 0.28 -1.93 0.00 0.00 178.83 178.29 3hd1 h VAL 18 N 0.21 1.25 -0.72 2.39 2.07 -1.01 -0.79 116.25 119.66 3hd1 h VAL 18 Ca 0.04 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 3hd1 h VAL 18 Cb 0.73 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3hd1 h VAL 18 CO 0.05 0.34 0.24 0.78 0.02 0.00 0.00 177.57 178.99 3hd1 h ASN 19 N 0.93 1.02 -0.76 0.57 2.35 -1.12 -0.34 115.58 118.23 3hd1 h ASN 19 Ca 0.20 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 3hd1 h ASN 19 Cb 0.32 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3hd1 h ASN 19 CO -0.00 0.94 0.28 0.00 -1.65 0.00 0.00 177.43 177.00 3hd1 h ALA 20 N 1.20 1.06 -0.40 -0.83 0.00 -1.05 -0.91 119.26 118.33 3hd1 h ALA 20 Ca 0.23 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3hd1 h ALA 20 Cb 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hd1 h ALA 20 CO -0.01 0.65 -0.03 0.00 0.00 0.00 0.00 179.25 179.87 3hd1 h ALA 21 N 1.19 0.54 -0.49 0.00 0.00 -0.83 -1.56 119.26 118.11 3hd1 h ALA 21 Ca 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hd1 h ALA 21 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hd1 h ALA 21 CO -0.02 0.34 0.31 -0.07 0.00 0.00 0.00 179.25 179.82 3hd1 h LEU 22 N 0.54 0.58 -0.68 0.00 3.38 -0.80 0.92 115.31 119.25 3hd1 h LEU 22 Ca 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hd1 h LEU 22 Cb 0.52 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3hd1 h LEU 22 CO 0.03 0.45 0.43 0.50 0.09 0.00 0.00 178.44 179.94 3hd1 h LYS 23 N 0.66 0.91 -0.65 1.13 3.64 -1.08 -1.90 116.57 119.28 3hd1 h LYS 23 Ca 0.18 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 3hd1 h LYS 23 Cb -0.04 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.56 3hd1 h LYS 23 CO -0.04 0.62 0.10 0.00 -2.27 0.00 0.00 179.45 177.86 3hd1 h ALA 24 N 1.23 0.94 -0.91 5.00 0.00 -0.82 -2.40 119.26 122.30 3hd1 h ALA 24 Ca 0.25 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hd1 h ALA 24 Cb -0.07 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 3hd1 h ALA 24 CO -0.05 0.66 0.59 -0.07 0.00 0.00 0.00 179.25 180.38 3hd1 h LEU 25 N 1.00 0.99 -1.49 0.00 3.38 -0.47 -1.14 115.31 117.59 3hd1 h LEU 25 Ca 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3hd1 h LEU 25 Cb 0.44 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3hd1 h LEU 25 CO 0.01 0.69 0.00 1.23 0.09 0.00 0.00 178.44 180.46 3hd1 h GLY 26 N 1.16 0.00 -0.56 0.83 0.00 -0.88 -2.61 103.07 101.02 3hd1 h GLY 26 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3hd1 h GLY 26 CO -0.11 0.00 -0.23 1.22 0.00 0.00 0.00 176.54 177.41 3hd1 n ASP 27 N -2.80 1.69 -4.75 0.19 8.00 -0.45 -4.77 116.55 113.66 3hd1 n ASP 27 Ca 0.00 -1.35 -0.41 0.00 0.71 0.00 0.00 54.79 53.74 3hd1 n ASP 27 Cb 0.23 0.19 -0.01 0.00 -0.02 0.00 0.00 41.12 41.51 3hd1 n ASP 27 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3hd1 n ILE 28 N -0.03 1.15 -1.75 0.53 5.41 -0.98 -4.93 119.36 118.76 3hd1 n ILE 28 Ca 0.13 -0.29 -0.37 0.00 1.00 0.00 0.00 62.75 63.22 3hd1 n ILE 28 Cb 0.42 -1.99 0.06 0.00 -0.71 0.00 0.00 39.64 37.42 3hd1 n ILE 28 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3hd1 s PRO 29 N -0.71 2.70 -1.42 0.38 0.02 -1.26 -3.08 135.00 131.63 3hd1 s PRO 29 Ca 0.62 2.11 -0.00 0.00 0.02 0.00 0.00 61.00 63.75 3hd1 s PRO 29 Cb -0.49 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.09 3hd1 s PRO 29 CO 0.50 -1.50 0.03 0.39 -0.33 0.00 0.00 177.00 176.10 3hd1 n GLU 30 N -1.69 -2.11 -3.83 5.54 1.02 -1.26 -4.81 120.64 113.51 3hd1 n GLU 30 Ca 0.15 0.80 -0.10 0.00 -0.02 0.00 0.00 57.16 57.98 3hd1 n GLU 30 Cb 0.47 -5.44 -0.08 0.00 -0.02 0.00 0.00 31.44 26.37 3hd1 n GLU 30 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3hd1 s SER 31 N -2.08 0.03 -0.03 1.62 0.01 -1.18 -1.56 113.70 110.51 3hd1 s SER 31 Ca 0.02 -0.43 -0.23 0.00 1.31 0.00 0.00 55.95 56.62 3hd1 s SER 31 Cb -0.01 0.32 0.05 0.00 0.21 0.00 0.00 66.02 66.59 3hd1 s SER 31 CO 0.03 -0.63 0.49 -1.38 0.41 0.00 0.00 173.24 172.15 3hd1 s HIS 32 N -3.02 -0.41 0.14 2.43 -3.43 -0.10 -4.77 115.29 106.13 3hd1 s HIS 32 Ca -0.02 0.68 -0.30 0.00 -0.80 0.00 0.00 55.06 54.62 3hd1 s HIS 32 Cb 0.01 0.25 -0.07 0.00 -1.43 0.00 0.00 32.58 31.33 3hd1 s HIS 32 CO -0.06 -0.50 1.18 0.42 -2.00 0.00 0.00 174.74 173.78 3hd1 s ILE 33 N -1.27 3.76 -0.21 -5.38 1.01 -1.26 -0.92 121.20 116.93 3hd1 s ILE 33 Ca -0.12 1.41 -0.13 0.00 0.00 0.00 0.00 60.65 61.81 3hd1 s ILE 33 Cb -0.03 -3.90 -0.19 0.00 0.01 0.00 0.00 42.46 38.35 3hd1 s ILE 33 CO 0.07 0.19 0.08 0.18 0.00 0.00 0.00 174.94 175.46 3hd1 n LEU 34 N 2.96 2.24 -3.46 2.97 4.77 0.52 -4.89 117.00 122.11 3hd1 n LEU 34 Ca 0.06 0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 56.17 3hd1 n LEU 34 Cb 0.45 -0.97 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 3hd1 n LEU 34 CO 0.55 0.58 0.42 0.28 -1.33 0.00 0.00 177.39 177.90 3hd1 s THR 35 N -2.47 0.00 -0.05 -5.08 -1.32 -1.19 -5.01 115.64 100.52 3hd1 s THR 35 Ca -0.30 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.20 3hd1 s THR 35 Cb 0.08 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.08 3hd1 s THR 35 CO 0.62 0.00 -0.11 -0.69 -2.21 0.00 0.00 174.62 172.23 3hd1 s VAL 36 N -2.86 1.05 1.00 5.08 1.01 -1.26 -1.40 120.40 123.02 3hd1 s VAL 36 Ca -0.03 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 3hd1 s VAL 36 Cb -0.01 -0.96 0.19 0.00 0.00 0.00 0.00 36.38 35.61 3hd1 s VAL 36 CO -0.05 0.33 1.11 -0.94 0.00 0.00 0.00 175.10 175.55 3hd1 s SER 37 N 0.53 2.66 1.03 3.32 1.04 0.18 -5.01 113.70 117.45 3hd1 s SER 37 Ca -0.11 1.05 -0.11 0.00 0.48 0.00 0.00 55.95 57.26 3hd1 s SER 37 Cb -0.14 -1.65 0.21 0.00 0.10 0.00 0.00 66.02 64.54 3hd1 s SER 37 CO 0.03 -3.10 1.09 -0.44 0.98 0.00 0.00 173.24 171.80 3hd1 s SER 38 N -3.66 1.99 -0.10 7.02 0.01 -1.26 -4.75 113.70 112.95 3hd1 s SER 38 Ca 0.66 1.88 -0.20 0.00 1.31 0.00 0.00 55.95 59.60 3hd1 s SER 38 Cb -0.17 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 3hd1 s SER 38 CO 0.56 -3.63 0.54 -0.36 0.41 0.00 0.00 173.24 170.77 3hd1 s PHE 39 N -2.56 3.54 0.05 2.43 0.08 -1.26 -4.58 117.98 115.68 3hd1 s PHE 39 Ca 0.68 1.01 0.08 0.00 0.12 0.00 0.00 56.93 58.81 3hd1 s PHE 39 Cb -0.24 -2.62 -0.03 0.00 -0.57 0.00 0.00 43.02 39.56 3hd1 s PHE 39 CO 0.61 0.16 -0.23 0.71 -0.10 0.00 0.00 175.22 176.38 3hd1 s TYR 40 N 0.61 2.43 -0.19 0.36 2.02 -0.43 -0.01 117.35 122.14 3hd1 s TYR 40 Ca 0.29 -0.34 -0.09 0.00 -0.37 0.00 0.00 57.07 56.57 3hd1 s TYR 40 Cb -0.16 -1.42 -0.05 0.00 -0.40 0.00 0.00 41.96 39.94 3hd1 s TYR 40 CO 0.13 0.19 0.10 0.50 -1.57 0.00 0.00 175.55 174.90 3hd1 s ARG 41 N -1.36 4.09 -0.11 -0.62 3.52 0.39 -0.68 118.95 124.17 3hd1 s ARG 41 Ca 0.13 -0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 55.44 3hd1 s ARG 41 Cb -0.10 -3.33 0.03 0.00 -1.56 0.00 0.00 34.95 29.99 3hd1 s ARG 41 CO 0.04 0.28 -0.04 0.95 -0.81 0.00 0.00 175.30 175.71 3hd1 s THR 42 N 0.39 0.83 0.78 4.11 -4.23 -0.32 -4.16 115.64 113.03 3hd1 s THR 42 Ca 0.06 -0.24 -0.12 0.00 -1.18 0.00 0.00 61.69 60.20 3hd1 s THR 42 Cb -0.12 -0.94 0.06 0.00 1.34 0.00 0.00 72.50 72.85 3hd1 s THR 42 CO -0.01 0.26 1.14 -2.84 -0.54 0.00 0.00 174.62 172.64 3hd1 s PRO 43 N 1.78 2.01 0.38 3.99 0.02 -1.26 -0.72 135.00 141.20 3hd1 s PRO 43 Ca 0.04 1.46 -0.26 0.00 0.02 0.00 0.00 61.00 62.26 3hd1 s PRO 43 Cb -0.13 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.45 3hd1 s PRO 43 CO -0.07 -1.87 1.21 -2.14 -0.33 0.00 0.00 177.00 173.79 3hd1 s PRO 44 N -4.43 4.12 -0.99 5.54 0.02 -1.26 -4.83 135.00 133.17 3hd1 s PRO 44 Ca 0.67 1.95 -0.02 0.00 0.02 0.00 0.00 61.00 63.62 3hd1 s PRO 44 Cb -0.22 -2.78 0.30 0.00 0.02 0.00 0.00 34.50 31.81 3hd1 s PRO 44 CO 0.51 -0.30 1.34 1.28 -0.33 0.00 0.00 177.00 179.50 3hd1 n LEU 45 N 0.26 5.90 0.00 -5.54 4.77 -1.26 -4.87 117.00 116.27 3hd1 n LEU 45 Ca 0.03 -5.27 0.00 0.00 -0.03 0.00 0.00 56.01 50.75 3hd1 n LEU 45 Cb 0.45 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 3hd1 n LEU 45 CO 0.53 1.77 0.00 0.61 -1.33 0.00 0.00 177.39 178.97 3hd1 n GLY 46 N 1.21 -0.44 3.61 -0.72 0.00 -1.26 -5.09 105.19 102.50 3hd1 n GLY 46 Ca 0.27 0.23 -0.46 0.00 0.00 0.00 0.00 46.02 46.06 3hd1 n GLY 46 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hd1 n PRO 47 N 0.00 2.02 -0.01 1.61 -0.02 -1.26 -4.83 135.00 132.50 3hd1 n PRO 47 Ca 0.00 0.66 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 3hd1 n PRO 47 Cb 0.00 -2.87 0.66 0.00 -0.02 0.00 0.00 33.50 31.27 3hd1 n PRO 47 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hd1 n GLN 48 N 7.80 1.24 0.13 -0.52 1.13 -1.26 -3.38 117.38 122.52 3hd1 n GLN 48 Ca 0.28 -0.36 -0.02 0.00 -1.94 0.00 0.00 57.00 54.96 3hd1 n GLN 48 Cb 0.35 -1.42 0.18 0.00 0.11 0.00 0.00 30.24 29.47 3hd1 n GLN 48 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 3hd1 h ASP 49 N 0.80 0.08 -3.99 1.08 2.03 -1.99 -3.45 116.42 110.98 3hd1 h ASP 49 Ca 0.00 -0.04 -0.53 0.00 -0.73 0.00 0.00 57.03 55.73 3hd1 h ASP 49 Cb 0.17 -0.02 0.10 0.00 -0.83 0.00 0.00 39.33 38.75 3hd1 h ASP 49 CO 0.00 0.64 0.60 -1.10 -1.03 0.00 0.00 179.24 178.35 3hd1 s GLN 50 N -3.73 3.68 0.82 4.15 -0.21 -1.22 -4.99 119.66 118.17 3hd1 s GLN 50 Ca -0.02 2.14 -0.11 0.00 0.02 0.00 0.00 55.36 57.39 3hd1 s GLN 50 Cb 0.13 -2.55 0.09 0.00 1.00 0.00 0.00 33.01 31.67 3hd1 s GLN 50 CO 0.77 -0.72 1.12 -2.14 -2.12 0.00 0.00 175.29 172.20 3hd1 s PRO 51 N -2.52 1.76 0.54 2.91 0.02 -1.26 -4.71 135.00 131.74 3hd1 s PRO 51 Ca 0.62 1.38 -0.22 0.00 0.02 0.00 0.00 61.00 62.81 3hd1 s PRO 51 Cb -0.38 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.27 3hd1 s PRO 51 CO 0.47 -2.05 1.32 -0.51 -0.33 0.00 0.00 177.00 175.90 3hd1 s ASP 52 N -2.96 5.35 0.17 2.53 1.01 -1.26 -4.54 116.67 116.97 3hd1 s ASP 52 Ca 0.65 2.68 -0.21 0.00 0.71 0.00 0.00 52.55 56.37 3hd1 s ASP 52 Cb -0.20 -2.63 -0.08 0.00 1.01 0.00 0.00 42.92 41.02 3hd1 s ASP 52 CO 0.55 -1.50 0.70 -0.31 0.21 0.00 0.00 175.17 174.82 3hd1 s TYR 53 N -1.35 3.75 -0.20 4.23 2.02 0.10 -4.69 117.35 121.20 3hd1 s TYR 53 Ca 0.71 1.41 -0.12 0.00 -0.37 0.00 0.00 57.07 58.70 3hd1 s TYR 53 Cb -0.38 -2.62 -0.05 0.00 -0.40 0.00 0.00 41.96 38.51 3hd1 s TYR 53 CO 0.45 0.44 0.22 -1.17 -1.57 0.00 0.00 175.55 173.92 3hd1 s LEU 54 N -1.59 4.18 -0.03 -1.29 0.20 -0.48 -1.18 118.68 118.49 3hd1 s LEU 54 Ca 0.38 0.30 0.03 0.00 0.69 0.00 0.00 54.13 55.53 3hd1 s LEU 54 Cb -0.19 -2.23 0.00 0.00 -0.43 0.00 0.00 46.19 43.34 3hd1 s LEU 54 CO 0.22 0.08 -0.12 0.20 -0.29 0.00 0.00 176.35 176.44 3hd1 s ASN 55 N 0.73 1.57 0.18 3.68 0.01 0.14 -1.32 114.94 119.93 3hd1 s ASN 55 Ca 0.12 -0.25 -0.08 0.00 -0.71 0.00 0.00 52.86 51.94 3hd1 s ASN 55 Cb -0.13 -0.42 -0.01 0.00 0.41 0.00 0.00 41.25 41.10 3hd1 s ASN 55 CO 0.03 0.10 0.28 0.00 -1.51 0.00 0.00 177.10 176.00 3hd1 s ALA 56 N 0.13 0.18 0.02 0.60 0.00 -0.44 -1.31 121.76 120.93 3hd1 s ALA 56 Ca -0.03 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 50.95 3hd1 s ALA 56 Cb -0.10 0.97 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 3hd1 s ALA 56 CO 0.01 -0.66 -0.17 0.00 0.00 0.00 0.00 175.76 174.94 3hd1 s ALA 57 N -4.01 1.39 -0.05 0.00 0.00 -1.26 -0.70 121.76 117.13 3hd1 s ALA 57 Ca 0.22 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.39 3hd1 s ALA 57 Cb 0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 3hd1 s ALA 57 CO 0.03 0.31 -0.16 0.08 0.00 0.00 0.00 175.76 176.02 3hd1 s VAL 58 N -0.63 1.36 -0.25 0.00 1.01 -0.16 -0.65 120.40 121.08 3hd1 s VAL 58 Ca 0.05 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 3hd1 s VAL 58 Cb -0.07 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3hd1 s VAL 58 CO 0.01 0.40 0.29 0.00 0.00 0.00 0.00 175.10 175.79 3hd1 s ALA 59 N 0.14 3.57 -0.16 5.51 0.00 -0.49 -0.98 121.76 129.35 3hd1 s ALA 59 Ca -0.06 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.08 3hd1 s ALA 59 Cb -0.12 -2.55 0.02 0.00 0.00 0.00 0.00 23.12 20.47 3hd1 s ALA 59 CO 0.02 -0.45 -0.16 -1.17 0.00 0.00 0.00 175.76 174.01 3hd1 s LEU 60 N 1.60 1.85 -0.00 0.00 2.96 0.57 -0.36 118.68 125.30 3hd1 s LEU 60 Ca 0.12 -0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 53.18 3hd1 s LEU 60 Cb -0.15 -1.28 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 3hd1 s LEU 60 CO 0.08 -0.04 0.99 -0.70 -1.32 0.00 0.00 176.35 175.37 3hd1 s GLU 61 N 1.42 4.55 -0.06 1.98 2.56 -0.10 -0.30 118.70 128.75 3hd1 s GLU 61 Ca 0.05 1.44 -0.14 0.00 0.00 0.00 0.00 54.97 56.32 3hd1 s GLU 61 Cb -0.13 -3.46 0.03 0.00 2.00 0.00 0.00 34.13 32.57 3hd1 s GLU 61 CO -0.11 -0.07 0.33 -0.08 -0.56 0.00 0.00 175.26 174.76 3hd1 s THR 62 N 1.05 0.04 -2.16 -1.70 -1.32 0.09 -0.93 115.64 110.71 3hd1 s THR 62 Ca 0.52 -0.29 0.19 0.00 -1.21 0.00 0.00 61.69 60.89 3hd1 s THR 62 Cb -0.21 -0.57 0.24 0.00 -1.51 0.00 0.00 72.50 70.44 3hd1 s THR 62 CO 0.28 -0.16 1.17 -1.54 -2.21 0.00 0.00 174.62 172.16 3hd1 n SER 63 N 1.86 2.80 -4.76 8.08 3.41 -0.60 -1.49 113.62 122.91 3hd1 n SER 63 Ca -0.18 -1.83 -0.34 0.00 -0.26 0.00 0.00 58.87 56.26 3hd1 n SER 63 Cb 0.57 -0.09 0.05 0.00 -0.26 0.00 0.00 64.21 64.47 3hd1 n SER 63 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hd1 s LEU 64 N -1.43 3.45 0.57 1.04 1.43 -1.26 -5.03 118.68 117.45 3hd1 s LEU 64 Ca 0.26 2.10 -0.18 0.00 -1.03 0.00 0.00 54.13 55.28 3hd1 s LEU 64 Cb 0.17 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.78 3hd1 s LEU 64 CO 0.24 -1.66 1.10 0.00 0.23 0.00 0.00 176.35 176.27 3hd1 s ALA 65 N -2.16 2.67 0.23 4.21 0.00 -1.26 -4.84 121.76 120.61 3hd1 s ALA 65 Ca 0.69 0.68 -0.06 0.00 0.00 0.00 0.00 51.96 53.27 3hd1 s ALA 65 Cb -0.23 -3.32 0.38 0.00 0.00 0.00 0.00 23.12 19.95 3hd1 s ALA 65 CO 0.39 -0.83 1.75 -1.35 0.00 0.00 0.00 175.76 175.72 3hd1 h PRO 66 N 0.88 0.48 0.00 0.00 0.11 -1.99 -0.32 132.00 131.16 3hd1 h PRO 66 Ca -0.49 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 3hd1 h PRO 66 Cb 1.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3hd1 h PRO 66 CO 0.57 0.31 -0.45 1.05 -0.21 0.00 0.00 178.00 179.27 3hd1 h GLU 67 N 0.49 0.00 -0.44 1.05 9.09 -1.99 -1.10 114.58 121.68 3hd1 h GLU 67 Ca 0.37 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.66 3hd1 h GLU 67 Cb 0.48 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.57 3hd1 h GLU 67 CO -0.34 0.45 -0.19 0.93 0.05 0.00 0.00 179.01 179.91 3hd1 h GLU 68 N 0.00 0.91 -0.62 1.06 5.08 -1.52 -1.45 114.58 118.04 3hd1 h GLU 68 Ca -0.00 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3hd1 h GLU 68 Cb 0.86 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 3hd1 h GLU 68 CO 0.06 1.04 0.38 1.25 -1.00 0.00 0.00 179.01 180.75 3hd1 h LEU 69 N 0.75 0.74 -0.99 1.33 5.85 -0.71 -2.52 115.31 119.75 3hd1 h LEU 69 Ca 0.10 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3hd1 h LEU 69 Cb 0.76 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.54 3hd1 h LEU 69 CO 0.06 0.57 0.65 0.25 -0.34 0.00 0.00 178.44 179.62 3hd1 h LEU 70 N 0.84 1.09 -0.69 2.25 5.85 -1.05 -0.23 115.31 123.37 3hd1 h LEU 70 Ca 0.22 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.02 3hd1 h LEU 70 Cb -0.04 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.66 3hd1 h LEU 70 CO -0.04 0.75 0.33 0.78 -0.34 0.00 0.00 178.44 179.92 3hd1 h ASN 71 N 1.27 0.42 -0.26 1.25 2.35 -0.86 -0.30 115.58 119.45 3hd1 h ASN 71 Ca 0.39 0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 56.10 3hd1 h ASN 71 Cb -0.03 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 3hd1 h ASN 71 CO -0.12 0.24 -0.22 0.45 -1.65 0.00 0.00 177.43 176.13 3hd1 h HIS 72 N 0.57 0.74 -0.41 1.19 3.86 -0.85 -0.63 115.15 119.62 3hd1 h HIS 72 Ca 0.34 -0.21 -0.07 0.00 -1.16 0.00 0.00 60.37 59.27 3hd1 h HIS 72 Cb 0.37 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 3hd1 h HIS 72 CO -0.12 0.92 -0.05 1.79 0.86 0.00 0.00 177.93 181.33 3hd1 h THR 73 N 0.34 1.24 -0.20 2.45 1.35 -0.89 -0.47 112.91 116.73 3hd1 h THR 73 Ca 0.05 -1.01 -0.15 0.00 -0.55 0.00 0.00 66.41 64.74 3hd1 h THR 73 Cb 0.77 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 3hd1 h THR 73 CO 0.06 0.35 -0.50 1.56 -0.25 0.00 0.00 175.52 176.74 3hd1 h GLN 74 N 0.64 0.53 -0.33 4.72 4.20 -0.97 -1.31 115.11 122.58 3hd1 h GLN 74 Ca 0.12 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 3hd1 h GLN 74 Cb 0.47 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3hd1 h GLN 74 CO 0.02 0.91 0.18 -0.09 -0.67 0.00 0.00 178.83 179.18 3hd1 h ARG 75 N 0.42 0.47 -0.89 1.46 2.43 -0.75 -1.94 114.38 115.58 3hd1 h ARG 75 Ca 0.02 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3hd1 h ARG 75 Cb 1.02 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 3hd1 h ARG 75 CO 0.09 0.41 0.53 0.82 -1.51 0.00 0.00 179.97 180.30 3hd1 h ILE 76 N 0.41 1.25 -0.97 1.20 2.04 -0.89 0.55 117.51 121.11 3hd1 h ILE 76 Ca 0.12 -0.56 0.06 0.00 1.00 0.00 0.00 64.86 65.48 3hd1 h ILE 76 Cb 0.08 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.10 3hd1 h ILE 76 CO -0.02 0.26 0.63 -0.33 0.00 0.00 0.00 178.15 178.69 3hd1 h GLU 77 N 1.23 1.10 -0.08 2.37 5.08 -1.05 0.27 114.58 123.49 3hd1 h GLU 77 Ca 0.32 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.45 3hd1 h GLU 77 Cb -0.03 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 3hd1 h GLU 77 CO -0.06 0.73 -0.63 -0.07 -1.00 0.00 0.00 179.01 177.98 3hd1 h LEU 78 N 1.14 0.35 0.04 1.33 3.38 -0.45 -0.56 115.31 120.54 3hd1 h LEU 78 Ca 0.41 -0.21 -0.31 0.00 0.09 0.00 0.00 57.88 57.86 3hd1 h LEU 78 Cb 0.15 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3hd1 h LEU 78 CO -0.15 0.89 -1.75 1.56 0.09 0.00 0.00 178.44 179.08 3hd1 h GLN 79 N 0.22 0.09 0.00 1.13 4.20 -0.53 -3.41 115.11 116.82 3hd1 h GLN 79 Ca -0.01 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.54 3hd1 h GLN 79 Cb 1.15 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3hd1 h GLN 79 CO 0.10 0.76 0.00 1.04 -0.67 0.00 0.00 178.83 180.06 3hd1 n GLN 80 N -3.21 3.03 0.00 1.46 1.13 0.91 -4.78 117.38 115.92 3hd1 n GLN 80 Ca -0.20 -0.25 0.14 0.00 -1.94 0.00 0.00 57.00 54.76 3hd1 n GLN 80 Cb 1.05 -0.75 0.65 0.00 0.11 0.00 0.00 30.24 31.30 3hd1 n GLN 80 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hd1 n GLY 81 N 0.50 -0.88 3.20 1.08 0.00 -0.22 -4.81 105.19 104.06 3hd1 n GLY 81 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 3hd1 n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hd1 s ARG 82 N -2.38 1.11 -0.03 1.61 0.52 -1.26 -0.26 118.95 118.25 3hd1 s ARG 82 Ca 0.32 -0.90 0.07 0.00 -0.52 0.00 0.00 55.73 54.70 3hd1 s ARG 82 Cb 0.20 -1.19 -0.01 0.00 0.52 0.00 0.00 34.95 34.46 3hd1 s ARG 82 CO 0.45 0.29 -0.24 0.08 0.02 0.00 0.00 175.30 175.90 3hd1 s VAL 83 N -0.91 1.93 -0.10 3.52 1.01 -1.26 -4.93 120.40 119.67 3hd1 s VAL 83 Ca 0.04 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 3hd1 s VAL 83 Cb -0.09 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 3hd1 s VAL 83 CO 0.02 0.54 0.42 -0.60 0.00 0.00 0.00 175.10 175.49 3hd1 s ARG 84 N -0.39 4.22 -0.07 2.72 3.52 -1.26 -0.46 118.95 127.23 3hd1 s ARG 84 Ca 0.04 0.37 0.03 0.00 -0.13 0.00 0.00 55.73 56.04 3hd1 s ARG 84 Cb -0.11 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.91 3hd1 s ARG 84 CO 0.01 0.31 -0.14 0.15 -0.81 0.00 0.00 175.30 174.82 3hd1 s LYS 85 N 0.16 1.84 5.03 5.12 -0.14 -0.87 -4.97 119.74 125.91 3hd1 s LYS 85 Ca 0.23 -0.48 0.00 0.00 -1.36 0.00 0.00 55.97 54.36 3hd1 s LYS 85 Cb -0.15 -1.51 0.00 0.00 -1.68 0.00 0.00 37.83 34.49 3hd1 s LYS 85 CO 0.10 0.07 0.00 0.00 -0.76 0.00 0.00 175.35 174.76 3hd1 n ALA 86 N 3.69 0.00 0.92 5.17 0.00 -1.26 -2.41 120.51 126.62 3hd1 n ALA 86 Ca -0.22 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.33 3hd1 n ALA 86 Cb 0.52 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.04 3hd1 n ALA 86 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3hd1 n GLU 87 N 6.95 1.92 -4.31 0.00 0.00 -1.26 -4.96 120.64 118.98 3hd1 n GLU 87 Ca 0.00 -1.64 -0.18 0.00 0.00 0.00 0.00 57.16 55.34 3hd1 n GLU 87 Cb 0.00 -1.42 -0.14 0.00 0.00 0.00 0.00 31.44 29.88 3hd1 n GLU 87 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 3hd1 s ARG 88 N -1.93 0.69 0.09 3.44 1.70 -1.01 -5.12 118.95 116.80 3hd1 s ARG 88 Ca 0.24 -0.38 -0.30 0.00 -0.47 0.00 0.00 55.73 54.82 3hd1 s ARG 88 Cb 0.18 -0.65 -0.06 0.00 -0.57 0.00 0.00 34.95 33.85 3hd1 s ARG 88 CO 0.32 0.17 1.15 -1.58 -1.08 0.00 0.00 175.30 174.29 3hd1 s TRP 89 N -0.35 3.50 0.92 5.89 0.52 -1.26 -2.05 118.94 126.11 3hd1 s TRP 89 Ca 0.02 1.42 -0.13 0.00 0.02 0.00 0.00 56.10 57.43 3hd1 s TRP 89 Cb -0.04 -3.35 0.15 0.00 -1.15 0.00 0.00 33.47 29.07 3hd1 s TRP 89 CO -0.00 -0.97 1.18 0.20 0.02 0.00 0.00 176.95 177.38 3hd1 s GLY 90 N 0.74 1.61 0.96 0.98 0.00 0.39 -4.97 107.32 107.03 3hd1 s GLY 90 Ca 0.55 -0.70 -0.16 0.00 0.00 0.00 0.00 44.72 44.41 3hd1 s GLY 90 CO 0.31 -0.10 1.29 2.56 0.00 0.00 0.00 173.10 177.16 3hd1 s PRO 91 N -5.47 0.64 0.13 2.90 0.04 -1.26 -4.45 135.00 127.53 3hd1 s PRO 91 Ca 0.66 -0.32 -0.33 0.00 0.04 0.00 0.00 61.00 61.05 3hd1 s PRO 91 Cb -0.12 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.46 3hd1 s PRO 91 CO 0.52 -2.43 1.73 -2.13 0.04 0.00 0.00 177.00 174.73 3hd1 n ARG 92 N -3.80 2.51 0.00 4.56 0.63 -1.26 -4.54 116.66 114.76 3hd1 n ARG 92 Ca 0.14 0.91 0.00 0.00 -0.92 0.00 0.00 57.85 57.98 3hd1 n ARG 92 Cb 0.60 -2.74 0.00 0.00 0.45 0.00 0.00 32.46 30.76 3hd1 n ARG 92 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3hd1 n THR 93 N 4.16 0.00 -4.47 5.15 -2.24 0.64 -5.01 114.28 112.50 3hd1 n THR 93 Ca 0.18 -0.40 -0.34 0.00 -2.27 0.00 0.00 64.05 61.22 3hd1 n THR 93 Cb 0.33 1.15 -0.12 0.00 -2.10 0.00 0.00 70.33 69.59 3hd1 n THR 93 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hd1 s LEU 94 N -0.43 3.22 -0.15 3.22 2.96 -1.19 -1.46 118.68 124.85 3hd1 s LEU 94 Ca 0.00 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 3hd1 s LEU 94 Cb 0.00 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.96 3hd1 s LEU 94 CO 0.00 0.22 -0.13 -0.62 -1.32 0.00 0.00 176.35 174.50 3hd1 s ASP 95 N 0.04 2.72 -0.32 3.68 2.15 0.43 -4.92 116.67 120.45 3hd1 s ASP 95 Ca -0.00 -0.51 -0.02 0.00 0.43 0.00 0.00 52.55 52.45 3hd1 s ASP 95 Cb -0.13 -1.16 0.06 0.00 -0.30 0.00 0.00 42.92 41.39 3hd1 s ASP 95 CO 0.03 -0.07 0.04 -0.76 -0.17 0.00 0.00 175.17 174.23 3hd1 s LEU 96 N 1.49 4.16 -0.08 -1.34 1.43 -1.26 -1.11 118.68 121.98 3hd1 s LEU 96 Ca 0.04 -1.44 0.02 0.00 -1.03 0.00 0.00 54.13 51.73 3hd1 s LEU 96 Cb -0.13 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 3hd1 s LEU 96 CO -0.10 -0.31 -0.14 -1.81 0.23 0.00 0.00 176.35 174.21 3hd1 s ASP 97 N 1.33 3.99 -0.46 2.29 1.01 -0.62 -4.89 116.67 119.33 3hd1 s ASP 97 Ca -0.02 -0.25 -0.26 0.00 0.71 0.00 0.00 52.55 52.72 3hd1 s ASP 97 Cb -0.20 -1.12 0.03 0.00 1.01 0.00 0.00 42.92 42.63 3hd1 s ASP 97 CO -0.02 0.28 0.98 -0.63 0.21 0.00 0.00 175.17 175.99 3hd1 s ILE 98 N -0.33 4.41 -0.13 0.77 1.01 -1.26 -0.31 121.20 125.37 3hd1 s ILE 98 Ca 0.03 0.91 -0.28 0.00 0.00 0.00 0.00 60.65 61.31 3hd1 s ILE 98 Cb -0.13 -4.47 -0.25 0.00 0.01 0.00 0.00 42.46 37.63 3hd1 s ILE 98 CO 0.02 -0.85 0.79 0.24 0.00 0.00 0.00 174.94 175.14 3hd1 h MET 99 N 9.06 -0.00 -4.08 2.79 2.86 -0.86 -3.34 114.93 121.36 3hd1 h MET 99 Ca -0.24 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.22 3hd1 h MET 99 Cb 1.07 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.52 3hd1 h MET 99 CO 1.05 0.93 -0.70 -0.51 1.06 0.00 0.00 176.91 178.74 3hd1 s LEU 100 N -8.31 2.25 -0.38 1.22 1.43 -1.13 -1.64 118.68 112.12 3hd1 s LEU 100 Ca -0.18 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.40 3hd1 s LEU 100 Cb -0.03 0.06 0.12 0.00 0.03 0.00 0.00 46.19 46.38 3hd1 s LEU 100 CO 0.67 -0.29 0.18 0.12 0.23 0.00 0.00 176.35 177.26 3hd1 s PHE 101 N -1.52 1.70 0.00 0.29 5.36 -1.26 -1.04 117.98 121.51 3hd1 s PHE 101 Ca -0.14 -2.05 0.00 0.00 -0.96 0.00 0.00 56.93 53.77 3hd1 s PHE 101 Cb -0.09 -1.69 0.00 0.00 -0.34 0.00 0.00 43.02 40.90 3hd1 s PHE 101 CO -0.01 -0.83 0.00 0.41 -1.46 0.00 0.00 175.22 173.33 3hd1 n GLY 102 N 4.11 2.75 1.71 13.12 0.00 0.10 -1.35 105.19 125.63 3hd1 n GLY 102 Ca 0.05 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 3hd1 n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hd1 n ASN 103 N 1.28 3.21 -4.85 1.61 5.15 -1.26 -4.89 115.26 115.52 3hd1 n ASN 103 Ca 0.00 -3.66 -0.35 0.00 -0.60 0.00 0.00 54.58 49.96 3hd1 n ASN 103 Cb 0.00 -0.74 -0.06 0.00 -0.53 0.00 0.00 39.78 38.46 3hd1 n ASN 103 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3hd1 s GLU 104 N -3.26 3.93 -0.21 1.20 2.02 -0.46 -4.76 118.70 117.16 3hd1 s GLU 104 Ca 0.51 0.41 -0.06 0.00 0.02 0.00 0.00 54.97 55.85 3hd1 s GLU 104 Cb 0.44 -2.98 -0.03 0.00 0.10 0.00 0.00 34.13 31.66 3hd1 s GLU 104 CO 0.06 0.52 0.04 0.08 0.02 0.00 0.00 175.26 175.98 3hd1 s VAL 105 N -1.40 4.33 -0.06 2.63 1.01 -1.26 -4.47 120.40 121.17 3hd1 s VAL 105 Ca 0.35 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.18 3hd1 s VAL 105 Cb -0.15 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3hd1 s VAL 105 CO 0.18 0.41 -0.16 -0.63 0.00 0.00 0.00 175.10 174.90 3hd1 s ILE 106 N 0.98 1.41 -0.40 2.22 1.01 0.18 -4.98 121.20 121.63 3hd1 s ILE 106 Ca 0.03 -0.67 0.10 0.00 0.00 0.00 0.00 60.65 60.11 3hd1 s ILE 106 Cb -0.14 -1.24 0.31 0.00 0.01 0.00 0.00 42.46 41.40 3hd1 s ILE 106 CO 0.02 0.41 0.72 -0.46 0.00 0.00 0.00 174.94 175.64 3hd1 n ASN 107 N 3.48 -0.05 -4.99 3.58 0.23 -1.20 -0.93 115.26 115.39 3hd1 n ASN 107 Ca -0.20 -3.01 -0.22 0.00 -0.53 0.00 0.00 54.58 50.61 3hd1 n ASN 107 Cb 0.52 -0.13 0.04 0.00 -2.08 0.00 0.00 39.78 38.13 3hd1 n ASN 107 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3hd1 s THR 108 N -1.47 1.93 0.41 5.53 -4.23 -0.01 -4.98 115.64 112.83 3hd1 s THR 108 Ca 0.36 -1.18 0.08 0.00 -1.18 0.00 0.00 61.69 59.76 3hd1 s THR 108 Cb 0.28 -2.12 0.26 0.00 1.34 0.00 0.00 72.50 72.26 3hd1 s THR 108 CO -0.10 0.00 2.06 -0.33 -0.54 0.00 0.00 174.62 175.71 3hd1 h GLU 109 N 0.38 0.50 0.00 3.99 3.07 -2.06 -3.02 114.58 117.44 3hd1 h GLU 109 Ca -0.32 -0.03 -0.22 0.00 -0.50 0.00 0.00 59.36 58.29 3hd1 h GLU 109 Cb 1.29 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 29.05 3hd1 h GLU 109 CO 0.47 0.34 -1.67 0.54 -1.40 0.00 0.00 179.01 177.29 3hd1 n ARG 110 N -4.47 0.64 -3.74 2.33 1.74 -1.26 -4.96 116.66 106.93 3hd1 n ARG 110 Ca 0.03 0.18 -0.20 0.00 -0.77 0.00 0.00 57.85 57.09 3hd1 n ARG 110 Cb 0.07 -1.74 -0.17 0.00 -1.02 0.00 0.00 32.46 29.59 3hd1 n ARG 110 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3hd1 s LEU 111 N -5.74 0.51 -0.24 0.55 2.96 -1.14 -5.10 118.68 110.48 3hd1 s LEU 111 Ca -0.05 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3hd1 s LEU 111 Cb 0.08 -0.21 0.04 0.00 0.50 0.00 0.00 46.19 46.61 3hd1 s LEU 111 CO 0.82 -0.20 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.66 3hd1 s THR 112 N 1.82 2.45 -0.03 3.68 2.01 -1.26 -0.83 115.64 123.48 3hd1 s THR 112 Ca 0.01 -1.26 0.01 0.00 0.31 0.00 0.00 61.69 60.76 3hd1 s THR 112 Cb -0.12 -2.28 0.02 0.00 0.01 0.00 0.00 72.50 70.12 3hd1 s THR 112 CO -0.03 0.17 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.35 3hd1 s VAL 113 N 1.23 0.38 0.66 3.82 1.01 -0.10 -3.49 120.40 123.91 3hd1 s VAL 113 Ca -0.03 -0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 3hd1 s VAL 113 Cb -0.17 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 3hd1 s VAL 113 CO -0.06 0.18 1.03 -2.65 0.00 0.00 0.00 175.10 173.60 3hd1 n PRO 114 N 3.97 0.77 -1.55 2.72 -0.02 -1.26 -0.65 135.00 138.99 3hd1 n PRO 114 Ca -0.25 0.32 -0.51 0.00 -2.02 0.00 0.00 63.50 61.03 3hd1 n PRO 114 Cb 0.51 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 3hd1 n PRO 114 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3hd1 n HIS 115 N -2.10 1.07 0.32 6.00 -0.00 -0.65 -4.81 115.22 115.05 3hd1 n HIS 115 Ca 0.14 0.76 0.20 0.00 -0.00 0.00 0.00 57.72 58.82 3hd1 n HIS 115 Cb 0.48 -2.23 1.08 0.00 -0.00 0.00 0.00 29.99 29.33 3hd1 n HIS 115 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 3hd1 h TYR 116 N 3.31 0.00 0.00 1.57 -0.00 -1.93 -3.11 116.97 116.81 3hd1 h TYR 116 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.29 3hd1 h TYR 116 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.09 3hd1 h TYR 116 CO 0.54 0.01 0.00 -3.47 -0.00 0.00 0.00 178.16 175.24 3hd1 n ASP 117 N -3.26 0.71 0.05 0.10 2.03 -1.26 -4.83 116.55 110.08 3hd1 n ASP 117 Ca -0.03 -1.21 0.12 0.00 0.52 0.00 0.00 54.79 54.19 3hd1 n ASP 117 Cb 0.11 0.00 0.58 0.00 -0.72 0.00 0.00 41.12 41.08 3hd1 n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hd1 h MET 118 N 0.00 0.20 0.00 -0.67 -0.00 -1.92 -0.28 114.93 112.26 3hd1 h MET 118 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 3hd1 h MET 118 Cb 0.46 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.01 3hd1 h MET 118 CO 0.00 0.14 0.00 0.87 -0.00 0.00 0.00 176.91 177.92 3hd1 h LYS 119 N 0.21 0.00 -0.02 -0.10 1.57 -1.88 -1.50 116.57 114.84 3hd1 h LYS 119 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3hd1 h LYS 119 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3hd1 h LYS 119 CO -0.03 0.00 -0.00 0.09 -0.57 0.00 0.00 179.45 178.94 3hd1 n ASN 120 N -2.39 2.18 -3.97 0.86 3.02 -0.12 -4.90 115.26 109.94 3hd1 n ASN 120 Ca 0.01 -1.73 -0.31 0.00 -0.03 0.00 0.00 54.58 52.52 3hd1 n ASN 120 Cb 0.19 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.21 3hd1 n ASN 120 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hd1 s ARG 121 N -2.00 1.49 0.42 3.52 0.52 -0.57 -4.96 118.95 117.37 3hd1 s ARG 121 Ca 0.33 -1.54 0.15 0.00 -0.52 0.00 0.00 55.73 54.15 3hd1 s ARG 121 Cb 0.21 -2.87 1.02 0.00 0.52 0.00 0.00 34.95 33.83 3hd1 s ARG 121 CO 0.32 -0.84 1.91 0.78 0.02 0.00 0.00 175.30 177.49 3hd1 h GLY 122 N 7.76 0.77 2.00 -3.53 0.00 -1.90 -0.41 103.07 107.76 3hd1 h GLY 122 Ca -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3hd1 h GLY 122 CO 0.49 0.07 0.00 0.27 0.00 0.00 0.00 176.54 177.36 3hd1 h PHE 123 N 0.45 0.00 0.04 5.60 -5.15 -1.93 -0.49 116.94 115.47 3hd1 h PHE 123 Ca 0.38 0.00 -0.34 0.00 -0.20 0.00 0.00 57.97 57.81 3hd1 h PHE 123 Cb 0.82 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.95 3hd1 h PHE 123 CO -0.00 0.00 -1.87 -1.33 -2.00 0.00 0.00 178.31 173.11 3hd1 n MET 124 N -2.77 0.65 -0.16 6.09 2.81 -0.48 -4.53 117.12 118.72 3hd1 n MET 124 Ca 0.01 0.37 -0.10 0.00 -1.81 0.00 0.00 57.70 56.17 3hd1 n MET 124 Cb 0.27 -1.66 -0.00 0.00 -0.71 0.00 0.00 33.22 31.12 3hd1 n MET 124 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3hd1 h LEU 125 N -0.52 0.79 -0.18 4.03 3.38 -0.86 -2.90 115.31 119.04 3hd1 h LEU 125 Ca -0.46 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.16 3hd1 h LEU 125 Cb 1.67 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 3hd1 h LEU 125 CO -0.13 0.90 -0.04 -0.50 0.09 0.00 0.00 178.44 178.76 3hd1 h TRP 126 N 0.65 0.39 -0.61 1.13 4.06 -1.34 0.77 115.95 121.00 3hd1 h TRP 126 Ca 0.13 -0.08 -0.04 0.00 2.06 0.00 0.00 58.89 60.96 3hd1 h TRP 126 Cb 0.50 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 28.53 3hd1 h TRP 126 CO 0.04 0.60 0.24 -1.35 -3.56 0.00 0.00 178.44 174.41 3hd1 h PRO 127 N 0.07 0.89 -0.64 0.49 0.11 -1.78 -1.80 132.00 129.34 3hd1 h PRO 127 Ca 0.05 -0.14 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 3hd1 h PRO 127 Cb 0.47 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 3hd1 h PRO 127 CO 0.02 0.74 0.28 1.25 -0.21 0.00 0.00 178.00 180.08 3hd1 h LEU 128 N 0.88 0.86 -1.49 2.35 5.85 -1.32 -2.70 115.31 119.75 3hd1 h LEU 128 Ca 0.21 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3hd1 h LEU 128 Cb 0.18 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3hd1 h LEU 128 CO -0.02 0.78 0.11 0.15 -0.34 0.00 0.00 178.44 179.12 3hd1 h PHE 129 N 0.89 0.45 -0.87 1.25 3.57 -0.39 0.22 116.94 122.06 3hd1 h PHE 129 Ca 0.22 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3hd1 h PHE 129 Cb 0.16 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 3hd1 h PHE 129 CO 0.01 0.37 0.50 1.49 -2.23 0.00 0.00 178.31 178.45 3hd1 h GLU 130 N 0.46 1.19 0.00 1.11 4.81 -1.00 -2.57 114.58 118.57 3hd1 h GLU 130 Ca 0.11 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3hd1 h GLU 130 Cb 0.12 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3hd1 h GLU 130 CO -0.01 0.85 -1.28 0.44 -0.73 0.00 0.00 179.01 178.28 3hd1 n ILE 131 N -4.35 0.00 -3.06 2.32 -5.35 -0.88 -4.67 119.36 103.37 3hd1 n ILE 131 Ca 0.09 -0.16 -0.16 0.00 -0.27 0.00 0.00 62.75 62.25 3hd1 n ILE 131 Cb 0.08 0.70 -0.00 0.00 -1.74 0.00 0.00 39.64 38.67 3hd1 n ILE 131 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hd1 n ALA 132 N -1.72 1.22 0.28 -1.28 0.00 0.71 -4.99 120.51 114.73 3hd1 n ALA 132 Ca 0.02 -2.83 0.12 0.00 0.00 0.00 0.00 53.44 50.74 3hd1 n ALA 132 Cb 0.39 -0.99 0.79 0.00 0.00 0.00 0.00 19.45 19.65 3hd1 n ALA 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3hd1 h PRO 133 N 3.24 0.00 -0.60 0.00 0.13 -1.66 -1.85 132.00 131.25 3hd1 h PRO 133 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3hd1 h PRO 133 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3hd1 h PRO 133 CO 0.40 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.56 3hd1 n GLU 134 N -4.15 2.58 -1.73 0.86 -0.58 -1.26 -4.34 120.64 112.02 3hd1 n GLU 134 Ca -0.03 -2.18 -0.42 0.00 -0.42 0.00 0.00 57.16 54.11 3hd1 n GLU 134 Cb 0.09 -1.54 -0.02 0.00 -0.57 0.00 0.00 31.44 29.40 3hd1 n GLU 134 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3hd1 n LEU 135 N 1.15 4.10 -4.40 -4.62 0.00 -0.70 -4.91 117.00 107.63 3hd1 n LEU 135 Ca 0.20 1.11 -0.33 0.00 0.00 0.00 0.00 56.01 56.99 3hd1 n LEU 135 Cb 0.56 -1.57 -0.14 0.00 0.00 0.00 0.00 43.42 42.27 3hd1 n LEU 135 CO 0.15 0.13 -0.46 -0.69 0.00 0.00 0.00 177.39 176.52 3hd1 s VAL 136 N 0.56 2.98 0.71 1.96 1.01 -1.26 -1.52 120.40 124.84 3hd1 s VAL 136 Ca 0.70 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 3hd1 s VAL 136 Cb -0.51 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 33.67 3hd1 s VAL 136 CO 0.41 0.55 1.07 -0.36 0.00 0.00 0.00 175.10 176.77 3hd1 s PHE 137 N -0.06 3.19 0.41 5.22 0.40 0.17 -4.92 117.98 122.38 3hd1 s PHE 137 Ca -0.03 1.22 0.15 0.00 -0.60 0.00 0.00 56.93 57.67 3hd1 s PHE 137 Cb -0.14 -2.97 1.01 0.00 0.51 0.00 0.00 43.02 41.44 3hd1 s PHE 137 CO 0.04 -1.26 1.87 -1.35 0.70 0.00 0.00 175.22 175.22 3hd1 h PRO 138 N -0.73 0.46 -0.07 0.24 0.11 -1.87 -0.77 132.00 129.38 3hd1 h PRO 138 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hd1 h PRO 138 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hd1 h PRO 138 CO 0.60 0.30 0.00 -0.40 -0.21 0.00 0.00 178.00 178.30 3hd1 n ASP 139 N -4.52 0.95 0.00 -2.05 5.75 -1.26 -4.90 116.55 110.53 3hd1 n ASP 139 Ca 0.18 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 3hd1 n ASP 139 Cb 0.60 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 3hd1 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hd1 n GLY 140 N 1.03 0.33 3.74 6.12 0.00 -0.29 -5.06 105.19 111.05 3hd1 n GLY 140 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3hd1 n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hd1 s GLU 141 N -0.91 2.59 -0.07 1.61 2.02 -1.26 -4.73 118.70 117.95 3hd1 s GLU 141 Ca 0.00 1.82 0.05 0.00 0.02 0.00 0.00 54.97 56.85 3hd1 s GLU 141 Cb 0.00 -1.88 -0.01 0.00 0.10 0.00 0.00 34.13 32.33 3hd1 s GLU 141 CO 0.00 -1.50 -0.22 -1.64 0.02 0.00 0.00 175.26 171.92 3hd1 s MET 142 N -3.60 2.66 0.24 1.61 -1.94 -1.26 0.42 119.30 117.43 3hd1 s MET 142 Ca 0.77 -0.84 -0.05 0.00 -1.71 0.00 0.00 55.69 53.85 3hd1 s MET 142 Cb -0.31 -2.26 0.41 0.00 2.01 0.00 0.00 34.83 34.69 3hd1 s MET 142 CO 0.39 0.40 1.74 1.25 -0.01 0.00 0.00 175.02 178.78 3hd1 h LEU 143 N 6.03 0.28 -1.06 -0.03 5.85 -1.59 0.96 115.31 125.76 3hd1 h LEU 143 Ca -0.33 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.52 3hd1 h LEU 143 Cb 1.18 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 3hd1 h LEU 143 CO 0.49 0.12 0.63 -0.09 -0.34 0.00 0.00 178.44 179.25 3hd1 h ARG 144 N 0.45 1.18 -0.24 1.25 2.43 -1.80 -2.16 114.38 115.49 3hd1 h ARG 144 Ca 0.39 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 3hd1 h ARG 144 Cb 0.56 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3hd1 h ARG 144 CO -0.38 0.78 0.12 0.37 -1.51 0.00 0.00 179.97 179.35 3hd1 h GLN 145 N 1.21 0.34 -0.09 0.20 4.15 -1.25 -0.63 115.11 119.04 3hd1 h GLN 145 Ca 0.39 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.77 3hd1 h GLN 145 Cb 0.02 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 3hd1 h GLN 145 CO -0.12 0.33 -0.00 0.82 -1.93 0.00 0.00 178.83 177.93 3hd1 h ILE 146 N 0.27 0.93 -0.76 2.39 5.03 -0.91 -0.49 117.51 123.97 3hd1 h ILE 146 Ca 0.08 -0.01 -0.04 0.00 -0.12 0.00 0.00 64.86 64.78 3hd1 h ILE 146 Cb 0.10 0.90 -0.03 0.00 -3.03 0.00 0.00 36.82 34.76 3hd1 h ILE 146 CO -0.01 0.00 0.32 -0.07 -0.68 0.00 0.00 178.15 177.71 3hd1 h LEU 147 N 0.03 1.02 -0.52 1.44 3.38 -1.34 -1.59 115.31 117.73 3hd1 h LEU 147 Ca 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3hd1 h LEU 147 Cb 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3hd1 h LEU 147 CO -0.08 0.90 0.24 -0.74 0.09 0.00 0.00 178.44 178.85 3hd1 h HIS 148 N 1.09 0.76 -0.20 1.13 2.76 -0.82 -0.86 115.15 119.01 3hd1 h HIS 148 Ca 0.26 -0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 58.32 3hd1 h HIS 148 Cb 0.18 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 3hd1 h HIS 148 CO 0.02 0.60 -0.13 1.15 -1.30 0.00 0.00 177.93 178.26 3hd1 h THR 149 N 0.70 1.32 0.00 6.26 2.02 -0.83 -3.32 112.91 119.05 3hd1 h THR 149 Ca 0.18 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 3hd1 h THR 149 Cb 0.13 1.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3hd1 h THR 149 CO -0.02 0.37 -0.86 0.03 0.37 0.00 0.00 175.52 175.41 3hd1 h ARG 150 N 0.13 0.00 -3.75 6.66 2.47 -1.32 -3.48 114.38 115.09 3hd1 h ARG 150 Ca 0.04 0.00 -0.39 0.00 -1.26 0.00 0.00 59.98 58.37 3hd1 h ARG 150 Cb 0.64 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 3hd1 h ARG 150 CO 0.04 0.05 -0.53 0.00 0.56 0.00 0.00 179.97 180.09 3hd1 n ALA 151 N -2.19 -0.78 -1.63 0.04 0.00 -0.33 -4.90 120.51 110.71 3hd1 n ALA 151 Ca -0.00 0.19 -0.46 0.00 0.00 0.00 0.00 53.44 53.17 3hd1 n ALA 151 Cb 0.59 -2.66 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 3hd1 n ALA 151 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hd1 n PHE 152 N -4.07 1.73 -2.04 0.00 3.72 -1.26 -4.91 117.46 110.63 3hd1 n PHE 152 Ca -0.18 0.57 -0.39 0.00 -0.05 0.00 0.00 57.45 57.41 3hd1 n PHE 152 Cb 0.65 -2.36 0.00 0.00 -0.94 0.00 0.00 39.48 36.83 3hd1 n PHE 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hd1 s ASP 153 N -0.01 6.05 0.64 4.37 1.01 -1.26 -4.98 116.67 122.49 3hd1 s ASP 153 Ca 0.67 2.60 -0.18 0.00 0.71 0.00 0.00 52.55 56.35 3hd1 s ASP 153 Cb -0.72 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 40.57 3hd1 s ASP 153 CO 0.53 -1.02 1.23 -0.54 0.21 0.00 0.00 175.17 175.58 3hd1 s LYS 154 N -2.49 2.67 -0.01 8.23 1.02 -1.26 -4.97 119.74 122.92 3hd1 s LYS 154 Ca 0.62 1.86 -0.04 0.00 0.02 0.00 0.00 55.97 58.42 3hd1 s LYS 154 Cb -0.36 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.02 3hd1 s LYS 154 CO 0.46 -1.45 0.21 -0.51 -0.92 0.00 0.00 175.35 173.13 3hd1 s LEU 155 N -4.42 4.37 0.31 3.17 1.02 -1.26 -5.08 118.68 116.79 3hd1 s LEU 155 Ca 0.78 0.43 -0.29 0.00 0.02 0.00 0.00 54.13 55.08 3hd1 s LEU 155 Cb -0.32 -2.58 -0.10 0.00 0.02 0.00 0.00 46.19 43.21 3hd1 s LEU 155 CO 0.38 0.27 1.15 0.20 0.02 0.00 0.00 176.35 178.37 3hd1 s ASN 156 N -1.76 7.05 0.57 2.29 -0.87 -1.26 -4.89 114.94 116.07 3hd1 s ASN 156 Ca 0.26 2.36 -0.18 0.00 -1.57 0.00 0.00 52.86 53.73 3hd1 s ASN 156 Cb -0.13 -2.63 -0.05 0.00 -0.02 0.00 0.00 41.25 38.43 3hd1 s ASN 156 CO 0.16 -0.30 1.11 -0.54 -2.57 0.00 0.00 177.10 174.96 3hd1 s LYS 157 N -1.67 3.27 0.00 -0.60 1.02 -1.26 -0.46 119.74 120.04 3hd1 s LYS 157 Ca 0.47 1.50 0.00 0.00 0.02 0.00 0.00 55.97 57.96 3hd1 s LYS 157 Cb -0.33 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 3hd1 s LYS 157 CO 0.43 -0.89 0.41 1.87 -0.92 0.00 0.00 175.35 176.24