#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hd2 s VAL 2 N 0.00 4.80 -0.09 12.58 1.01 -1.26 -0.55 120.40 136.89 3hd2 s VAL 2 Ca 0.00 0.44 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 3hd2 s VAL 2 Cb 0.00 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 3hd2 s VAL 2 CO 0.00 -0.50 0.22 0.00 0.00 0.00 0.00 175.10 174.82 3hd2 s ALA 3 N 2.91 3.81 -0.23 5.51 0.00 0.27 -0.65 121.76 133.38 3hd2 s ALA 3 Ca 0.26 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.66 3hd2 s ALA 3 Cb -0.14 -2.11 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 3hd2 s ALA 3 CO 0.18 0.55 -0.02 0.71 0.00 0.00 0.00 175.76 177.18 3hd2 s TYR 4 N -0.94 3.00 -0.14 0.00 2.02 -0.58 -0.33 117.35 120.37 3hd2 s TYR 4 Ca 0.17 -0.88 -0.02 0.00 -0.37 0.00 0.00 57.07 55.98 3hd2 s TYR 4 Cb -0.13 -2.14 -0.02 0.00 -0.40 0.00 0.00 41.96 39.27 3hd2 s TYR 4 CO 0.06 -0.53 -0.09 0.42 -1.57 0.00 0.00 175.55 173.85 3hd2 s ILE 5 N 1.50 3.37 -0.05 2.71 1.01 0.02 -0.24 121.20 129.51 3hd2 s ILE 5 Ca 0.05 -0.54 -0.21 0.00 0.00 0.00 0.00 60.65 59.96 3hd2 s ILE 5 Cb -0.15 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 3hd2 s ILE 5 CO -0.02 0.51 0.59 0.00 0.00 0.00 0.00 174.94 176.02 3hd2 s ALA 6 N 0.40 3.44 -0.15 9.38 0.00 0.50 -0.77 121.76 134.57 3hd2 s ALA 6 Ca -0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.85 3hd2 s ALA 6 Cb -0.15 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 3hd2 s ALA 6 CO 0.04 0.05 -0.04 0.42 0.00 0.00 0.00 175.76 176.23 3hd2 s ILE 7 N 0.30 3.86 -0.01 0.00 1.01 0.05 -1.54 121.20 124.86 3hd2 s ILE 7 Ca 0.31 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.62 3hd2 s ILE 7 Cb -0.17 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 3hd2 s ILE 7 CO 0.15 0.50 -0.11 -0.83 0.00 0.00 0.00 174.94 174.66 3hd2 s GLY 8 N 0.26 0.57 -0.02 6.18 0.00 -0.38 -1.42 107.32 112.52 3hd2 s GLY 8 Ca -0.03 -0.47 -0.00 0.00 0.00 0.00 0.00 44.72 44.22 3hd2 s GLY 8 CO 0.03 -0.34 0.03 -0.45 0.00 0.00 0.00 173.10 172.37 3hd2 s SER 9 N -0.15 0.06 -0.33 1.64 0.15 -0.55 -0.69 113.70 113.81 3hd2 s SER 9 Ca 0.02 0.04 0.07 0.00 0.70 0.00 0.00 55.95 56.79 3hd2 s SER 9 Cb -0.06 -0.06 0.50 0.00 -1.71 0.00 0.00 66.02 64.69 3hd2 s SER 9 CO -0.00 -0.12 1.48 -0.46 1.20 0.00 0.00 173.24 175.34 3hd2 n ASN 10 N 4.08 3.39 -4.78 5.45 6.94 -1.11 -0.58 115.26 128.66 3hd2 n ASN 10 Ca -0.26 -3.79 -0.37 0.00 -0.02 0.00 0.00 54.58 50.14 3hd2 n ASN 10 Cb 0.51 -0.62 -0.02 0.00 -2.36 0.00 0.00 39.78 37.29 3hd2 n ASN 10 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3hd2 s LEU 11 N -3.38 4.02 0.30 -4.53 2.96 -1.26 -4.61 118.68 112.18 3hd2 s LEU 11 Ca 0.48 2.18 0.05 0.00 -0.22 0.00 0.00 54.13 56.62 3hd2 s LEU 11 Cb 0.42 -4.27 0.69 0.00 0.50 0.00 0.00 46.19 43.53 3hd2 s LEU 11 CO 0.00 -0.79 1.79 0.00 -1.32 0.00 0.00 176.35 176.03 3hd2 h ALA 12 N 2.10 1.62 -2.65 5.97 0.00 -1.95 -3.18 119.26 121.19 3hd2 h ALA 12 Ca -0.49 0.07 -0.60 0.00 0.00 0.00 0.00 54.91 53.88 3hd2 h ALA 12 Cb 1.24 -0.11 -0.41 0.00 0.00 0.00 0.00 17.79 18.51 3hd2 h ALA 12 CO 0.61 0.01 -0.75 0.45 0.00 0.00 0.00 179.25 179.57 3hd2 n SER 13 N -4.74 1.80 -0.02 0.00 2.88 -1.26 -4.97 113.62 107.32 3hd2 n SER 13 Ca 0.22 -2.94 0.15 0.00 -1.33 0.00 0.00 58.87 54.97 3hd2 n SER 13 Cb 0.52 -0.67 0.74 0.00 -0.75 0.00 0.00 64.21 64.05 3hd2 n SER 13 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3hd2 n PRO 14 N 2.02 0.50 -0.31 -1.46 -0.04 -1.20 -4.30 135.00 130.21 3hd2 n PRO 14 Ca 0.25 -0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.64 3hd2 n PRO 14 Cb 0.41 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.47 3hd2 n PRO 14 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3hd2 h LEU 15 N 0.09 0.94 -0.23 1.53 3.38 -1.94 -0.92 115.31 118.15 3hd2 h LEU 15 Ca 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3hd2 h LEU 15 Cb 0.28 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hd2 h LEU 15 CO 0.00 0.67 0.08 -0.33 0.09 0.00 0.00 178.44 178.95 3hd2 h GLU 16 N 1.11 0.35 -0.59 1.13 4.39 -2.00 -0.32 114.58 118.66 3hd2 h GLU 16 Ca 0.32 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 3hd2 h GLU 16 Cb -0.07 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 3hd2 h GLU 16 CO -0.09 0.42 0.33 0.37 -1.16 0.00 0.00 179.01 178.88 3hd2 h GLN 17 N 0.22 0.81 -0.69 2.33 4.15 -1.75 0.11 115.11 120.30 3hd2 h GLN 17 Ca 0.08 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 3hd2 h GLN 17 Cb 0.20 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 3hd2 h GLN 17 CO -0.00 0.61 0.34 0.28 -1.93 0.00 0.00 178.83 178.13 3hd2 h VAL 18 N 0.79 1.22 -0.27 2.39 2.07 -0.99 -0.09 116.25 121.37 3hd2 h VAL 18 Ca 0.21 -0.61 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 3hd2 h VAL 18 Cb 0.03 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3hd2 h VAL 18 CO -0.04 0.26 -0.24 0.78 0.02 0.00 0.00 177.57 178.35 3hd2 h ASN 19 N 0.95 0.53 -0.57 0.57 2.35 -0.66 0.04 115.58 118.78 3hd2 h ASN 19 Ca 0.24 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 3hd2 h ASN 19 Cb 0.09 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3hd2 h ASN 19 CO -0.03 0.76 -0.00 0.00 -1.65 0.00 0.00 177.43 176.51 3hd2 h ALA 20 N 1.28 0.77 -0.53 -0.83 0.00 -0.63 -1.65 119.26 117.67 3hd2 h ALA 20 Ca 0.07 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3hd2 h ALA 20 Cb 0.67 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3hd2 h ALA 20 CO 0.05 0.61 0.12 0.00 0.00 0.00 0.00 179.25 180.03 3hd2 h ALA 21 N 0.97 0.71 -0.83 0.00 0.00 -0.65 -1.58 119.26 117.88 3hd2 h ALA 21 Ca 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3hd2 h ALA 21 Cb 0.55 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3hd2 h ALA 21 CO 0.03 0.41 0.40 -0.07 0.00 0.00 0.00 179.25 180.03 3hd2 h LEU 22 N 0.76 1.09 -1.25 0.00 3.38 -0.88 0.46 115.31 118.86 3hd2 h LEU 22 Ca 0.17 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3hd2 h LEU 22 Cb 0.36 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hd2 h LEU 22 CO 0.00 0.92 -0.36 0.50 0.09 0.00 0.00 178.44 179.60 3hd2 h LYS 23 N 1.18 0.03 0.02 1.13 3.64 -1.12 -2.12 116.57 119.32 3hd2 h LYS 23 Ca 0.29 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.38 3hd2 h LYS 23 Cb 0.12 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3hd2 h LYS 23 CO -0.04 0.38 -1.08 0.00 -2.27 0.00 0.00 179.45 176.44 3hd2 h ALA 24 N 1.62 0.11 -0.85 5.00 0.00 -0.85 -3.18 119.26 121.11 3hd2 h ALA 24 Ca 0.00 -0.71 0.04 0.00 0.00 0.00 0.00 54.91 54.23 3hd2 h ALA 24 Cb 0.64 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3hd2 h ALA 24 CO 0.05 0.69 0.56 -0.07 0.00 0.00 0.00 179.25 180.48 3hd2 h LEU 25 N 0.37 0.91 0.00 0.00 3.38 -0.65 -0.98 115.31 118.33 3hd2 h LEU 25 Ca -0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3hd2 h LEU 25 Cb 1.74 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.28 3hd2 h LEU 25 CO 0.21 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.97 3hd2 n GLY 26 N -1.41 -1.08 0.70 0.83 0.00 -0.82 -2.36 105.19 101.05 3hd2 n GLY 26 Ca 0.11 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.18 3hd2 n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hd2 n ASP 27 N -1.49 2.46 -4.75 1.61 8.00 -0.39 -4.83 116.55 117.15 3hd2 n ASP 27 Ca 0.04 -1.73 -0.41 0.00 0.71 0.00 0.00 54.79 53.40 3hd2 n ASP 27 Cb 0.20 0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 41.53 3hd2 n ASP 27 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hd2 s ILE 28 N -2.21 2.29 0.74 0.53 1.01 -1.00 -4.94 121.20 117.62 3hd2 s ILE 28 Ca 0.22 0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.98 3hd2 s ILE 28 Cb 0.19 -3.16 0.05 0.00 0.01 0.00 0.00 42.46 39.54 3hd2 s ILE 28 CO 0.43 0.05 1.20 -2.84 0.00 0.00 0.00 174.94 173.78 3hd2 s PRO 29 N -0.80 2.07 -1.08 2.79 0.02 -1.26 -3.18 135.00 133.56 3hd2 s PRO 29 Ca 0.59 1.75 -0.05 0.00 0.02 0.00 0.00 61.00 63.31 3hd2 s PRO 29 Cb -0.45 -1.83 0.04 0.00 0.02 0.00 0.00 34.50 32.28 3hd2 s PRO 29 CO 0.49 -1.88 0.25 0.39 -0.33 0.00 0.00 177.00 175.92 3hd2 n GLU 30 N -2.81 -2.89 -3.84 5.54 -0.58 -1.26 -4.82 120.64 109.98 3hd2 n GLU 30 Ca 0.13 0.48 -0.09 0.00 -0.42 0.00 0.00 57.16 57.27 3hd2 n GLU 30 Cb 0.50 -5.13 -0.07 0.00 -0.57 0.00 0.00 31.44 26.17 3hd2 n GLU 30 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3hd2 s SER 31 N -2.38 0.09 -0.01 1.62 0.01 -1.19 -1.34 113.70 110.50 3hd2 s SER 31 Ca 0.20 -0.61 -0.24 0.00 1.31 0.00 0.00 55.95 56.61 3hd2 s SER 31 Cb -0.11 0.35 0.05 0.00 0.21 0.00 0.00 66.02 66.52 3hd2 s SER 31 CO 0.25 -0.73 0.53 -1.38 0.41 0.00 0.00 173.24 172.32 3hd2 s HIS 32 N -3.78 -0.45 0.11 2.43 -3.43 0.17 -4.80 115.29 105.53 3hd2 s HIS 32 Ca 0.04 0.70 -0.30 0.00 -0.80 0.00 0.00 55.06 54.70 3hd2 s HIS 32 Cb 0.04 0.30 -0.07 0.00 -1.43 0.00 0.00 32.58 31.42 3hd2 s HIS 32 CO -0.11 -0.55 1.20 0.42 -2.00 0.00 0.00 174.74 173.70 3hd2 s ILE 33 N -1.56 3.84 -0.19 -5.38 1.01 -1.26 -0.59 121.20 117.06 3hd2 s ILE 33 Ca -0.10 1.40 -0.12 0.00 0.00 0.00 0.00 60.65 61.82 3hd2 s ILE 33 Cb -0.02 -3.89 -0.20 0.00 0.01 0.00 0.00 42.46 38.35 3hd2 s ILE 33 CO 0.05 0.15 0.14 0.18 0.00 0.00 0.00 174.94 175.46 3hd2 n LEU 34 N 3.39 2.29 -3.62 2.97 4.77 0.54 -4.89 117.00 122.46 3hd2 n LEU 34 Ca 0.07 0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 56.21 3hd2 n LEU 34 Cb 0.46 -1.00 -0.04 0.00 -2.33 0.00 0.00 43.42 40.51 3hd2 n LEU 34 CO 0.56 0.61 0.24 0.42 -1.33 0.00 0.00 177.39 177.88 3hd2 s THR 35 N -2.47 0.04 -0.03 -5.08 -4.23 -1.19 -5.01 115.64 97.68 3hd2 s THR 35 Ca -0.29 -0.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 3hd2 s THR 35 Cb 0.08 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.70 3hd2 s THR 35 CO 0.64 -0.20 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.80 3hd2 s VAL 36 N -3.81 0.36 0.99 2.29 1.01 -1.26 -1.77 120.40 118.21 3hd2 s VAL 36 Ca 0.04 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 3hd2 s VAL 36 Cb 0.01 -0.39 0.19 0.00 0.00 0.00 0.00 36.38 36.18 3hd2 s VAL 36 CO -0.10 0.17 1.10 -0.94 0.00 0.00 0.00 175.10 175.33 3hd2 s SER 37 N 0.70 2.70 1.05 3.32 1.04 0.10 -5.01 113.70 117.59 3hd2 s SER 37 Ca -0.08 1.11 -0.12 0.00 0.48 0.00 0.00 55.95 57.34 3hd2 s SER 37 Cb -0.11 -1.76 0.20 0.00 0.10 0.00 0.00 66.02 64.45 3hd2 s SER 37 CO -0.01 -3.08 0.95 -1.20 0.98 0.00 0.00 173.24 170.89 3hd2 n SER 38 N -4.13 -0.93 -4.74 7.02 7.64 -1.26 -4.76 113.62 112.46 3hd2 n SER 38 Ca 0.05 0.13 -0.37 0.00 1.01 0.00 0.00 58.87 59.69 3hd2 n SER 38 Cb 0.58 -1.33 -0.06 0.00 -1.01 0.00 0.00 64.21 62.39 3hd2 n SER 38 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3hd2 s PHE 39 N -2.49 3.52 0.12 1.43 0.08 -1.26 -4.56 117.98 114.82 3hd2 s PHE 39 Ca 0.66 0.81 0.11 0.00 0.12 0.00 0.00 56.93 58.63 3hd2 s PHE 39 Cb -0.23 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 39.73 3hd2 s PHE 39 CO 0.62 0.25 -0.26 0.71 -0.10 0.00 0.00 175.22 176.44 3hd2 s TYR 40 N 0.36 2.33 -0.22 0.36 2.02 -0.19 -0.27 117.35 121.73 3hd2 s TYR 40 Ca 0.23 -0.38 -0.06 0.00 -0.37 0.00 0.00 57.07 56.49 3hd2 s TYR 40 Cb -0.15 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 3hd2 s TYR 40 CO 0.09 0.32 0.04 0.50 -1.57 0.00 0.00 175.55 174.93 3hd2 s ARG 41 N -1.98 3.67 -0.25 -0.62 3.52 0.21 -0.68 118.95 122.82 3hd2 s ARG 41 Ca 0.14 -0.48 0.03 0.00 -0.13 0.00 0.00 55.73 55.28 3hd2 s ARG 41 Cb -0.10 -3.20 0.05 0.00 -1.56 0.00 0.00 34.95 30.14 3hd2 s ARG 41 CO 0.06 -0.05 -0.12 0.95 -0.81 0.00 0.00 175.30 175.33 3hd2 s THR 42 N 1.22 2.18 0.65 4.11 -4.23 -0.09 -4.23 115.64 115.24 3hd2 s THR 42 Ca 0.04 -1.53 -0.15 0.00 -1.18 0.00 0.00 61.69 58.86 3hd2 s THR 42 Cb -0.14 -2.23 -0.01 0.00 1.34 0.00 0.00 72.50 71.46 3hd2 s THR 42 CO 0.02 0.05 1.11 -2.84 -0.54 0.00 0.00 174.62 172.42 3hd2 s PRO 43 N 1.13 2.85 0.28 3.99 0.02 -1.26 -0.90 135.00 141.11 3hd2 s PRO 43 Ca -0.07 1.41 -0.29 0.00 0.02 0.00 0.00 61.00 62.06 3hd2 s PRO 43 Cb -0.19 -1.96 -0.09 0.00 0.02 0.00 0.00 34.50 32.28 3hd2 s PRO 43 CO -0.06 -1.21 1.18 -1.25 -0.33 0.00 0.00 177.00 175.33 3hd2 s PRO 44 N -4.03 4.53 -1.54 5.54 0.04 -1.26 -4.88 135.00 133.39 3hd2 s PRO 44 Ca 0.67 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 63.55 3hd2 s PRO 44 Cb -0.21 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 3hd2 s PRO 44 CO 0.40 0.03 2.63 1.47 0.04 0.00 0.00 177.00 181.58 3hd2 n LEU 45 N 1.36 8.00 0.00 -3.56 -0.00 -1.26 -4.75 117.00 116.79 3hd2 n LEU 45 Ca 0.00 -4.34 0.00 0.00 -0.00 0.00 0.00 56.01 51.68 3hd2 n LEU 45 Cb 0.44 -1.58 0.00 0.00 -0.00 0.00 0.00 43.42 42.28 3hd2 n LEU 45 CO 0.56 1.72 0.00 0.61 -0.00 0.00 0.00 177.39 180.28 3hd2 n GLY 46 N 3.60 1.10 3.63 1.47 0.00 -1.26 -5.15 105.19 108.58 3hd2 n GLY 46 Ca 0.67 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 46.15 3hd2 n GLY 46 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hd2 n PRO 47 N 0.00 1.08 -0.21 1.61 -0.02 -1.26 -4.88 135.00 131.31 3hd2 n PRO 47 Ca 0.00 0.41 0.03 0.00 -2.02 0.00 0.00 63.50 61.92 3hd2 n PRO 47 Cb 0.00 -2.20 0.12 0.00 -0.02 0.00 0.00 33.50 31.40 3hd2 n PRO 47 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hd2 n GLN 48 N -0.82 1.92 -0.15 -0.52 6.02 -1.26 -3.78 117.38 118.79 3hd2 n GLN 48 Ca 0.12 -0.93 0.09 0.00 -0.01 0.00 0.00 57.00 56.27 3hd2 n GLN 48 Cb 0.46 -1.49 0.27 0.00 1.02 0.00 0.00 30.24 30.50 3hd2 n GLN 48 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3hd2 n ASP 49 N 0.19 2.10 -4.69 1.08 -0.08 -1.26 -4.89 116.55 108.99 3hd2 n ASP 49 Ca 0.08 -1.88 -0.24 0.00 -1.51 0.00 0.00 54.79 51.25 3hd2 n ASP 49 Cb 0.39 -0.20 -0.07 0.00 2.34 0.00 0.00 41.12 43.58 3hd2 n ASP 49 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hd2 s ALA 50 N -1.59 3.27 0.63 -1.67 0.00 -1.25 -5.11 121.76 116.04 3hd2 s ALA 50 Ca 0.31 -1.53 -0.17 0.00 0.00 0.00 0.00 51.96 50.56 3hd2 s ALA 50 Cb 0.16 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 3hd2 s ALA 50 CO 0.23 0.32 1.18 -2.14 0.00 0.00 0.00 175.76 175.35 3hd2 s PRO 51 N -3.53 2.80 0.76 0.00 0.02 -1.26 -4.67 135.00 129.11 3hd2 s PRO 51 Ca 0.31 1.72 -0.15 0.00 0.02 0.00 0.00 61.00 62.89 3hd2 s PRO 51 Cb -0.07 -1.92 0.05 0.00 0.02 0.00 0.00 34.50 32.57 3hd2 s PRO 51 CO 0.21 -1.32 1.15 -0.25 -0.33 0.00 0.00 177.00 176.47 3hd2 n ASP 52 N -1.95 1.06 -4.85 2.53 8.00 -1.26 -4.57 116.55 115.51 3hd2 n ASP 52 Ca 0.13 0.65 -0.36 0.00 0.71 0.00 0.00 54.79 55.92 3hd2 n ASP 52 Cb 0.50 -1.49 -0.06 0.00 -0.02 0.00 0.00 41.12 40.06 3hd2 n ASP 52 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hd2 s TYR 53 N -1.90 3.64 -0.21 1.24 1.51 -0.07 -4.48 117.35 117.07 3hd2 s TYR 53 Ca 0.75 0.98 -0.15 0.00 -1.01 0.00 0.00 57.07 57.64 3hd2 s TYR 53 Cb -0.32 -2.30 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 3hd2 s TYR 53 CO 0.49 0.51 0.36 -1.17 -1.11 0.00 0.00 175.55 174.63 3hd2 s LEU 54 N -1.71 4.15 0.05 -1.29 0.20 0.26 -0.92 118.68 119.42 3hd2 s LEU 54 Ca 0.33 0.45 0.07 0.00 0.69 0.00 0.00 54.13 55.67 3hd2 s LEU 54 Cb -0.15 -2.45 -0.03 0.00 -0.43 0.00 0.00 46.19 43.12 3hd2 s LEU 54 CO 0.18 -0.06 -0.18 0.20 -0.29 0.00 0.00 176.35 176.20 3hd2 s ASN 55 N 1.05 3.85 0.21 3.68 0.01 0.14 -1.49 114.94 122.40 3hd2 s ASN 55 Ca 0.17 -0.43 -0.19 0.00 -0.71 0.00 0.00 52.86 51.70 3hd2 s ASN 55 Cb -0.15 -0.62 0.03 0.00 0.41 0.00 0.00 41.25 40.92 3hd2 s ASN 55 CO 0.07 0.25 0.59 0.00 -1.51 0.00 0.00 177.10 176.50 3hd2 s ALA 56 N -0.96 -1.12 0.02 0.60 0.00 -0.51 -1.03 121.76 118.77 3hd2 s ALA 56 Ca 0.15 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.05 3hd2 s ALA 56 Cb -0.11 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 3hd2 s ALA 56 CO 0.06 -0.86 -0.22 0.00 0.00 0.00 0.00 175.76 174.74 3hd2 s ALA 57 N -3.87 1.82 -0.06 0.00 0.00 -1.26 -0.77 121.76 117.62 3hd2 s ALA 57 Ca 0.09 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.06 3hd2 s ALA 57 Cb -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3hd2 s ALA 57 CO -0.02 0.43 -0.16 0.08 0.00 0.00 0.00 175.76 176.09 3hd2 s VAL 58 N -0.67 1.37 -0.26 0.00 1.01 0.05 -0.72 120.40 121.18 3hd2 s VAL 58 Ca 0.08 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 3hd2 s VAL 58 Cb -0.09 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3hd2 s VAL 58 CO 0.01 0.40 0.39 0.00 0.00 0.00 0.00 175.10 175.90 3hd2 s ALA 59 N 0.33 3.57 -0.19 5.51 0.00 -0.73 -0.80 121.76 129.44 3hd2 s ALA 59 Ca -0.10 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3hd2 s ALA 59 Cb -0.14 -2.72 0.03 0.00 0.00 0.00 0.00 23.12 20.29 3hd2 s ALA 59 CO 0.04 -0.62 -0.17 -1.17 0.00 0.00 0.00 175.76 173.83 3hd2 s LEU 60 N 2.00 2.25 -0.01 0.00 2.96 0.55 -0.34 118.68 126.10 3hd2 s LEU 60 Ca 0.16 -0.74 -0.30 0.00 -0.22 0.00 0.00 54.13 53.03 3hd2 s LEU 60 Cb -0.16 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 3hd2 s LEU 60 CO 0.09 -0.04 1.05 -0.70 -1.32 0.00 0.00 176.35 175.43 3hd2 s GLU 61 N 1.30 4.50 -0.04 1.98 2.56 0.24 -0.57 118.70 128.66 3hd2 s GLU 61 Ca 0.03 1.51 -0.12 0.00 0.00 0.00 0.00 54.97 56.39 3hd2 s GLU 61 Cb -0.14 -3.45 0.02 0.00 2.00 0.00 0.00 34.13 32.56 3hd2 s GLU 61 CO -0.11 -0.16 0.27 -0.08 -0.56 0.00 0.00 175.26 174.61 3hd2 s THR 62 N 1.25 0.04 -2.36 -1.70 -1.32 0.28 -0.65 115.64 111.17 3hd2 s THR 62 Ca 0.53 -0.35 0.20 0.00 -1.21 0.00 0.00 61.69 60.87 3hd2 s THR 62 Cb -0.23 -0.50 0.23 0.00 -1.51 0.00 0.00 72.50 70.49 3hd2 s THR 62 CO 0.26 -0.19 1.19 -1.20 -2.21 0.00 0.00 174.62 172.48 3hd2 n SER 63 N 1.90 2.85 -4.77 8.08 7.64 -0.45 -1.35 113.62 127.53 3hd2 n SER 63 Ca -0.19 -1.87 -0.34 0.00 1.01 0.00 0.00 58.87 57.49 3hd2 n SER 63 Cb 0.57 -0.07 0.04 0.00 -1.01 0.00 0.00 64.21 63.73 3hd2 n SER 63 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hd2 s LEU 64 N -1.56 3.51 0.68 -3.43 1.43 -1.26 -5.02 118.68 113.03 3hd2 s LEU 64 Ca 0.27 2.10 -0.14 0.00 -1.03 0.00 0.00 54.13 55.32 3hd2 s LEU 64 Cb 0.18 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.84 3hd2 s LEU 64 CO 0.26 -1.54 1.11 0.00 0.23 0.00 0.00 176.35 176.40 3hd2 s ALA 65 N -2.10 2.44 0.17 4.21 0.00 -1.26 -4.83 121.76 120.39 3hd2 s ALA 65 Ca 0.70 0.49 -0.14 0.00 0.00 0.00 0.00 51.96 53.01 3hd2 s ALA 65 Cb -0.23 -3.31 0.13 0.00 0.00 0.00 0.00 23.12 19.71 3hd2 s ALA 65 CO 0.37 -1.35 1.74 -1.35 0.00 0.00 0.00 175.76 175.17 3hd2 h PRO 66 N -0.16 0.26 0.00 0.00 0.11 -2.00 -0.75 132.00 129.47 3hd2 h PRO 66 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hd2 h PRO 66 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hd2 h PRO 66 CO 0.54 0.17 0.00 0.93 -0.21 0.00 0.00 178.00 179.43 3hd2 h GLU 67 N 0.27 0.00 -0.00 1.05 5.08 -1.99 -1.15 114.58 117.84 3hd2 h GLU 67 Ca 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3hd2 h GLU 67 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3hd2 h GLU 67 CO -0.24 0.00 -0.00 0.93 -1.00 0.00 0.00 179.01 178.70 3hd2 h GLU 68 N 0.00 0.01 -0.82 2.33 4.39 -1.65 -2.23 114.58 116.61 3hd2 h GLU 68 Ca 0.00 -0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 3hd2 h GLU 68 Cb 0.59 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.15 3hd2 h GLU 68 CO 0.00 0.60 0.42 1.25 -1.16 0.00 0.00 179.01 180.12 3hd2 h LEU 69 N -0.59 0.52 -0.97 1.33 5.85 -0.78 -1.09 115.31 119.58 3hd2 h LEU 69 Ca -0.00 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3hd2 h LEU 69 Cb 0.60 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3hd2 h LEU 69 CO 0.00 0.25 0.63 0.25 -0.34 0.00 0.00 178.44 179.23 3hd2 h LEU 70 N 0.63 1.13 -0.66 2.25 5.85 -1.22 0.06 115.31 123.35 3hd2 h LEU 70 Ca 0.43 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.20 3hd2 h LEU 70 Cb 0.56 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 3hd2 h LEU 70 CO -0.33 0.82 0.32 0.78 -0.34 0.00 0.00 178.44 179.69 3hd2 h ASN 71 N 1.32 0.40 -0.26 1.25 2.35 -0.57 -0.10 115.58 119.97 3hd2 h ASN 71 Ca 0.35 0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 56.09 3hd2 h ASN 71 Cb -0.14 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3hd2 h ASN 71 CO -0.07 0.24 -0.13 0.45 -1.65 0.00 0.00 177.43 176.27 3hd2 h HIS 72 N 0.55 0.63 -0.59 1.19 3.86 -0.76 -0.63 115.15 119.40 3hd2 h HIS 72 Ca 0.32 -0.16 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 3hd2 h HIS 72 Cb 0.33 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 3hd2 h HIS 72 CO -0.12 0.80 0.17 1.79 0.86 0.00 0.00 177.93 181.43 3hd2 h THR 73 N 0.27 1.23 -0.33 2.45 1.35 -0.80 -0.65 112.91 116.44 3hd2 h THR 73 Ca 0.06 -0.82 -0.12 0.00 -0.55 0.00 0.00 66.41 64.98 3hd2 h THR 73 Cb 0.64 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 67.64 3hd2 h THR 73 CO 0.04 0.31 -0.30 1.56 -0.25 0.00 0.00 175.52 176.88 3hd2 h GLN 74 N 0.88 0.69 -0.46 4.72 4.20 -0.93 -1.35 115.11 122.85 3hd2 h GLN 74 Ca 0.19 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3hd2 h GLN 74 Cb 0.28 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3hd2 h GLN 74 CO -0.01 0.90 0.30 -0.09 -0.67 0.00 0.00 178.83 179.27 3hd2 h ARG 75 N 0.59 0.62 -0.82 1.46 2.43 -0.75 -1.53 114.38 116.37 3hd2 h ARG 75 Ca 0.07 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3hd2 h ARG 75 Cb 0.81 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.18 3hd2 h ARG 75 CO 0.07 0.42 0.44 0.82 -1.51 0.00 0.00 179.97 180.21 3hd2 h ILE 76 N 0.63 1.24 -0.79 1.20 2.04 -0.85 0.11 117.51 121.09 3hd2 h ILE 76 Ca 0.17 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.45 3hd2 h ILE 76 Cb -0.06 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.12 3hd2 h ILE 76 CO -0.04 0.28 0.50 -0.33 0.00 0.00 0.00 178.15 178.56 3hd2 h GLU 77 N 1.15 0.94 -0.37 2.37 5.08 -0.99 0.13 114.58 122.88 3hd2 h GLU 77 Ca 0.29 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 3hd2 h GLU 77 Cb 0.04 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3hd2 h GLU 77 CO -0.05 0.62 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.21 3hd2 h LEU 78 N 0.96 0.82 0.08 1.33 3.38 -0.40 0.11 115.31 121.60 3hd2 h LEU 78 Ca 0.32 -0.33 -0.28 0.00 0.09 0.00 0.00 57.88 57.68 3hd2 h LEU 78 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3hd2 h LEU 78 CO -0.12 1.06 -1.37 1.56 0.09 0.00 0.00 178.44 179.66 3hd2 h GLN 79 N 0.67 0.18 0.00 1.13 4.20 -0.49 -3.40 115.11 117.40 3hd2 h GLN 79 Ca 0.08 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3hd2 h GLN 79 Cb 0.84 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.73 3hd2 h GLN 79 CO 0.07 1.06 -0.22 1.04 -0.67 0.00 0.00 178.83 180.11 3hd2 n GLN 80 N -3.41 4.90 0.00 1.46 1.13 0.42 -4.80 117.38 117.07 3hd2 n GLN 80 Ca -0.11 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.06 3hd2 n GLN 80 Cb 1.02 -0.57 0.51 0.00 0.11 0.00 0.00 30.24 31.30 3hd2 n GLN 80 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hd2 n GLY 81 N 1.23 -1.32 3.36 1.08 0.00 0.03 -4.71 105.19 104.85 3hd2 n GLY 81 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3hd2 n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hd2 s ARG 82 N -3.00 1.89 -0.07 1.61 0.52 -1.26 -0.87 118.95 117.77 3hd2 s ARG 82 Ca 0.11 -1.07 0.02 0.00 -0.52 0.00 0.00 55.73 54.27 3hd2 s ARG 82 Cb 0.15 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 33.57 3hd2 s ARG 82 CO 0.44 0.52 -0.10 0.08 0.02 0.00 0.00 175.30 176.25 3hd2 s VAL 83 N -0.81 3.37 0.03 3.52 1.01 -1.26 -4.91 120.40 121.35 3hd2 s VAL 83 Ca 0.12 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 3hd2 s VAL 83 Cb -0.10 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 3hd2 s VAL 83 CO 0.02 0.58 1.44 -0.60 0.00 0.00 0.00 175.10 176.54 3hd2 s ARG 84 N -0.55 4.27 0.30 2.72 6.06 -1.26 -0.78 118.95 129.71 3hd2 s ARG 84 Ca 0.08 2.04 0.02 0.00 -2.50 0.00 0.00 55.73 55.37 3hd2 s ARG 84 Cb -0.12 -3.54 0.06 0.00 0.06 0.00 0.00 34.95 31.42 3hd2 s ARG 84 CO 0.02 -0.58 0.42 1.63 -2.50 0.00 0.00 175.30 174.28 3hd2 n LYS 85 N 5.22 0.49 -0.02 5.12 5.02 0.11 -4.87 118.16 129.23 3hd2 n LYS 85 Ca 0.13 -1.29 -0.10 0.00 -2.02 0.00 0.00 58.31 55.04 3hd2 n LYS 85 Cb 0.43 -0.23 -0.04 0.00 -0.02 0.00 0.00 35.03 35.17 3hd2 n LYS 85 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hd2 h ALA 86 N -0.21 0.14 0.00 7.82 0.00 -2.00 -3.32 119.26 121.69 3hd2 h ALA 86 Ca -0.14 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3hd2 h ALA 86 Cb 0.55 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3hd2 h ALA 86 CO 0.17 -0.43 -1.61 0.39 0.00 0.00 0.00 179.25 177.76 3hd2 n GLU 87 N -5.11 0.52 -3.99 0.00 -0.58 -1.26 -5.05 120.64 105.17 3hd2 n GLU 87 Ca -0.04 -0.11 -0.10 0.00 -0.42 0.00 0.00 57.16 56.50 3hd2 n GLU 87 Cb 0.08 -1.31 -0.06 0.00 -0.57 0.00 0.00 31.44 29.58 3hd2 n GLU 87 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 3hd2 s ARG 88 N -2.85 1.39 0.22 3.49 3.03 -1.25 -5.14 118.95 117.84 3hd2 s ARG 88 Ca -0.05 -1.24 -0.30 0.00 2.03 0.00 0.00 55.73 56.17 3hd2 s ARG 88 Cb 0.08 0.43 -0.08 0.00 -1.03 0.00 0.00 34.95 34.34 3hd2 s ARG 88 CO 0.54 -0.55 1.10 -1.58 -1.13 0.00 0.00 175.30 173.68 3hd2 s TRP 89 N -4.01 3.60 1.01 5.89 0.52 -1.26 0.08 118.94 124.76 3hd2 s TRP 89 Ca 0.22 1.64 -0.16 0.00 0.02 0.00 0.00 56.10 57.83 3hd2 s TRP 89 Cb 0.01 -3.28 0.20 0.00 -1.15 0.00 0.00 33.47 29.26 3hd2 s TRP 89 CO 0.06 -0.57 1.20 0.20 0.02 0.00 0.00 176.95 177.86 3hd2 s GLY 90 N -0.46 1.65 0.91 0.98 0.00 0.04 -4.82 107.32 105.62 3hd2 s GLY 90 Ca 0.47 -0.90 -0.14 0.00 0.00 0.00 0.00 44.72 44.15 3hd2 s GLY 90 CO 0.37 -0.17 1.25 2.56 0.00 0.00 0.00 173.10 177.11 3hd2 s PRO 91 N -5.55 1.13 0.12 2.90 0.04 -1.26 -4.50 135.00 127.87 3hd2 s PRO 91 Ca 0.69 -0.15 -0.31 0.00 0.04 0.00 0.00 61.00 61.27 3hd2 s PRO 91 Cb -0.09 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 3hd2 s PRO 91 CO 0.54 -2.13 1.70 0.50 0.04 0.00 0.00 177.00 177.65 3hd2 s ARG 92 N -5.71 4.17 0.00 4.56 3.52 -1.26 -4.47 118.95 119.76 3hd2 s ARG 92 Ca 0.69 2.45 0.01 0.00 -0.13 0.00 0.00 55.73 58.75 3hd2 s ARG 92 Cb -0.08 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 3hd2 s ARG 92 CO 0.52 -0.75 0.14 0.25 -0.81 0.00 0.00 175.30 174.65 3hd2 n THR 93 N 4.52 0.00 -3.89 4.11 -2.24 -0.05 -5.01 114.28 111.72 3hd2 n THR 93 Ca 0.16 -0.47 -0.35 0.00 -2.27 0.00 0.00 64.05 61.12 3hd2 n THR 93 Cb 0.39 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.53 3hd2 n THR 93 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hd2 s LEU 94 N -1.73 3.91 -0.14 3.22 2.96 -1.18 -2.77 118.68 122.95 3hd2 s LEU 94 Ca 0.01 0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3hd2 s LEU 94 Cb 0.01 -2.00 0.02 0.00 0.50 0.00 0.00 46.19 44.71 3hd2 s LEU 94 CO 0.05 0.15 -0.17 -0.62 -1.32 0.00 0.00 176.35 174.44 3hd2 s ASP 95 N 0.53 2.75 -0.33 3.68 2.15 0.13 -4.91 116.67 120.67 3hd2 s ASP 95 Ca 0.05 -0.51 -0.01 0.00 0.43 0.00 0.00 52.55 52.51 3hd2 s ASP 95 Cb -0.12 -1.24 0.07 0.00 -0.30 0.00 0.00 42.92 41.33 3hd2 s ASP 95 CO 0.01 -0.01 0.04 -0.76 -0.17 0.00 0.00 175.17 174.28 3hd2 s LEU 96 N 1.21 4.30 -0.09 -1.34 1.43 -1.26 -1.24 118.68 121.70 3hd2 s LEU 96 Ca -0.00 -1.61 0.01 0.00 -1.03 0.00 0.00 54.13 51.50 3hd2 s LEU 96 Cb -0.14 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3hd2 s LEU 96 CO -0.07 -0.34 -0.10 -1.81 0.23 0.00 0.00 176.35 174.25 3hd2 s ASP 97 N 1.32 4.31 -0.44 2.29 1.01 -0.59 -4.90 116.67 119.66 3hd2 s ASP 97 Ca 0.00 -0.16 -0.26 0.00 0.71 0.00 0.00 52.55 52.83 3hd2 s ASP 97 Cb -0.20 -1.24 0.02 0.00 1.01 0.00 0.00 42.92 42.51 3hd2 s ASP 97 CO -0.03 0.29 0.97 -0.63 0.21 0.00 0.00 175.17 175.98 3hd2 s ILE 98 N -0.37 4.44 -0.12 0.77 1.01 -1.26 -0.37 121.20 125.29 3hd2 s ILE 98 Ca 0.05 0.96 -0.24 0.00 0.00 0.00 0.00 60.65 61.42 3hd2 s ILE 98 Cb -0.12 -4.45 -0.21 0.00 0.01 0.00 0.00 42.46 37.68 3hd2 s ILE 98 CO 0.02 -0.80 0.69 0.24 0.00 0.00 0.00 174.94 175.09 3hd2 h MET 99 N 8.96 -0.01 -4.74 2.79 2.86 -0.97 -3.35 114.93 120.47 3hd2 h MET 99 Ca -0.24 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.13 3hd2 h MET 99 Cb 1.07 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 32.56 3hd2 h MET 99 CO 1.04 0.77 -0.72 -0.51 1.06 0.00 0.00 176.91 178.55 3hd2 s LEU 100 N -8.38 2.39 -0.37 1.22 2.01 -1.13 -1.49 118.68 112.93 3hd2 s LEU 100 Ca -0.16 -0.79 0.00 0.00 0.01 0.00 0.00 54.13 53.20 3hd2 s LEU 100 Cb -0.02 -0.19 0.13 0.00 0.01 0.00 0.00 46.19 46.12 3hd2 s LEU 100 CO 0.57 -0.31 0.20 0.12 1.01 0.00 0.00 176.35 177.94 3hd2 s PHE 101 N -2.47 1.21 0.00 0.29 5.36 -1.26 -1.53 117.98 119.57 3hd2 s PHE 101 Ca 0.02 -1.82 0.00 0.00 -0.96 0.00 0.00 56.93 54.18 3hd2 s PHE 101 Cb -0.03 -1.33 0.00 0.00 -0.34 0.00 0.00 43.02 41.33 3hd2 s PHE 101 CO -0.01 -0.82 0.00 0.41 -1.46 0.00 0.00 175.22 173.34 3hd2 n GLY 102 N 4.11 2.81 1.65 13.12 0.00 0.18 -1.21 105.19 125.84 3hd2 n GLY 102 Ca 0.07 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 3hd2 n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hd2 n ASN 103 N 1.78 3.94 -4.83 1.61 5.15 -1.26 -4.87 115.26 116.78 3hd2 n ASN 103 Ca 0.00 -3.38 -0.35 0.00 -0.60 0.00 0.00 54.58 50.24 3hd2 n ASN 103 Cb 0.00 -0.70 -0.06 0.00 -0.53 0.00 0.00 39.78 38.49 3hd2 n ASN 103 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3hd2 s GLU 104 N -3.08 4.16 -0.23 1.20 2.02 -0.35 -4.69 118.70 117.73 3hd2 s GLU 104 Ca 0.51 0.77 -0.07 0.00 0.02 0.00 0.00 54.97 56.20 3hd2 s GLU 104 Cb 0.42 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 3hd2 s GLU 104 CO 0.09 0.36 0.05 0.08 0.02 0.00 0.00 175.26 175.86 3hd2 s VAL 105 N -1.61 4.29 -0.06 2.63 1.01 -1.26 -4.48 120.40 120.93 3hd2 s VAL 105 Ca 0.44 -0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.29 3hd2 s VAL 105 Cb -0.15 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 3hd2 s VAL 105 CO 0.20 0.37 -0.23 -0.63 0.00 0.00 0.00 175.10 174.81 3hd2 s ILE 106 N 1.35 1.90 -0.42 2.22 -1.09 -0.16 -4.99 121.20 120.01 3hd2 s ILE 106 Ca 0.05 -0.98 0.04 0.00 -2.23 0.00 0.00 60.65 57.53 3hd2 s ILE 106 Cb -0.15 -1.61 0.17 0.00 -1.58 0.00 0.00 42.46 39.29 3hd2 s ILE 106 CO 0.03 0.53 0.40 0.20 -1.23 0.00 0.00 174.94 174.87 3hd2 s ASN 107 N -0.09 1.01 0.49 3.58 -0.87 -1.24 -1.61 114.94 116.20 3hd2 s ASN 107 Ca -0.04 -2.58 0.02 0.00 -1.57 0.00 0.00 52.86 48.69 3hd2 s ASN 107 Cb -0.13 0.10 -0.02 0.00 -0.02 0.00 0.00 41.25 41.18 3hd2 s ASN 107 CO 0.04 -0.17 0.03 0.42 -2.57 0.00 0.00 177.10 174.84 3hd2 s THR 108 N 0.46 1.07 0.40 1.60 -4.23 0.49 -4.99 115.64 110.43 3hd2 s THR 108 Ca 0.29 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.88 3hd2 s THR 108 Cb -0.02 -2.23 0.29 0.00 1.34 0.00 0.00 72.50 71.88 3hd2 s THR 108 CO -0.13 0.00 2.01 -0.33 -0.54 0.00 0.00 174.62 175.63 3hd2 h GLU 109 N 1.46 0.58 0.00 3.99 3.07 -2.06 -3.05 114.58 118.56 3hd2 h GLU 109 Ca -0.42 -0.03 -0.25 0.00 -0.50 0.00 0.00 59.36 58.15 3hd2 h GLU 109 Cb 1.30 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 29.04 3hd2 h GLU 109 CO 0.71 0.38 -1.83 0.54 -1.40 0.00 0.00 179.01 177.41 3hd2 n ARG 110 N -4.47 0.65 -4.54 2.33 1.74 -1.26 -4.97 116.66 106.13 3hd2 n ARG 110 Ca 0.07 0.15 -0.22 0.00 -0.77 0.00 0.00 57.85 57.08 3hd2 n ARG 110 Cb 0.18 -1.70 -0.16 0.00 -1.02 0.00 0.00 32.46 29.77 3hd2 n ARG 110 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hd2 s LEU 111 N -5.71 1.84 -0.19 0.55 1.43 -1.15 -5.09 118.68 110.35 3hd2 s LEU 111 Ca -0.06 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3hd2 s LEU 111 Cb 0.08 -0.69 0.05 0.00 0.03 0.00 0.00 46.19 45.66 3hd2 s LEU 111 CO 0.83 0.10 -0.04 -0.89 0.23 0.00 0.00 176.35 176.58 3hd2 s THR 112 N 0.11 1.15 -0.04 5.49 2.01 -1.26 -0.38 115.64 122.72 3hd2 s THR 112 Ca -0.03 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.18 3hd2 s THR 112 Cb -0.09 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 71.04 3hd2 s THR 112 CO 0.01 0.01 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.21 3hd2 s VAL 113 N 1.60 0.49 0.68 3.82 1.01 -0.63 -3.55 120.40 123.82 3hd2 s VAL 113 Ca -0.02 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 3hd2 s VAL 113 Cb -0.17 -0.52 -0.00 0.00 0.00 0.00 0.00 36.38 35.70 3hd2 s VAL 113 CO -0.07 0.21 1.11 -2.65 0.00 0.00 0.00 175.10 173.70 3hd2 n PRO 114 N 3.96 0.76 -1.58 2.72 -0.02 -1.26 -0.99 135.00 138.59 3hd2 n PRO 114 Ca -0.25 0.32 -0.49 0.00 -2.02 0.00 0.00 63.50 61.06 3hd2 n PRO 114 Cb 0.51 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 3hd2 n PRO 114 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3hd2 n HIS 115 N -2.25 1.32 0.31 6.00 -0.00 -0.56 -4.81 115.22 115.24 3hd2 n HIS 115 Ca 0.14 0.67 0.18 0.00 -0.00 0.00 0.00 57.72 58.72 3hd2 n HIS 115 Cb 0.49 -2.28 1.01 0.00 -0.00 0.00 0.00 29.99 29.21 3hd2 n HIS 115 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 3hd2 h TYR 116 N 3.43 0.00 0.00 1.57 -0.00 -1.93 -3.06 116.97 116.97 3hd2 h TYR 116 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 3hd2 h TYR 116 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.07 3hd2 h TYR 116 CO 0.54 0.01 0.00 -3.47 -0.00 0.00 0.00 178.16 175.24 3hd2 n ASP 117 N -3.51 0.96 0.04 0.10 2.03 -1.26 -4.83 116.55 110.07 3hd2 n ASP 117 Ca -0.03 -1.37 0.10 0.00 0.52 0.00 0.00 54.79 54.01 3hd2 n ASP 117 Cb 0.10 0.00 0.54 0.00 -0.72 0.00 0.00 41.12 41.04 3hd2 n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hd2 h MET 118 N 0.00 0.28 0.00 -0.67 -0.00 -1.91 -0.80 114.93 111.83 3hd2 h MET 118 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 3hd2 h MET 118 Cb 0.52 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 32.06 3hd2 h MET 118 CO 0.00 0.19 0.00 1.63 -0.00 0.00 0.00 176.91 178.73 3hd2 n LYS 119 N -4.48 0.18 -0.01 -0.10 5.02 -1.26 -1.69 118.16 115.82 3hd2 n LYS 119 Ca 0.04 0.42 0.13 0.00 -2.02 0.00 0.00 58.31 56.89 3hd2 n LYS 119 Cb 0.23 -1.85 0.33 0.00 -0.02 0.00 0.00 35.03 33.72 3hd2 n LYS 119 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hd2 n ASN 120 N -2.19 2.19 -3.95 4.39 3.02 -0.31 -4.90 115.26 113.51 3hd2 n ASN 120 Ca 0.02 -1.73 -0.31 0.00 -0.03 0.00 0.00 54.58 52.53 3hd2 n ASN 120 Cb 0.21 -0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.22 3hd2 n ASN 120 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hd2 s ARG 121 N -1.99 1.45 0.46 3.52 0.52 -0.68 -4.96 118.95 117.29 3hd2 s ARG 121 Ca 0.34 -1.46 0.15 0.00 -0.52 0.00 0.00 55.73 54.24 3hd2 s ARG 121 Cb 0.21 -2.79 1.12 0.00 0.52 0.00 0.00 34.95 34.00 3hd2 s ARG 121 CO 0.32 -0.83 2.02 0.78 0.02 0.00 0.00 175.30 177.61 3hd2 h GLY 122 N 7.80 0.38 2.00 -3.53 0.00 -1.90 -0.52 103.07 107.30 3hd2 h GLY 122 Ca -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3hd2 h GLY 122 CO 0.48 0.08 0.00 0.27 0.00 0.00 0.00 176.54 177.37 3hd2 h PHE 123 N 0.29 0.00 0.03 5.60 -5.15 -1.93 -0.35 116.94 115.42 3hd2 h PHE 123 Ca 0.21 0.00 -0.38 0.00 -0.20 0.00 0.00 57.97 57.60 3hd2 h PHE 123 Cb 0.47 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 36.58 3hd2 h PHE 123 CO -0.00 0.00 -2.21 -1.33 -2.00 0.00 0.00 178.31 172.77 3hd2 n MET 124 N -2.32 0.65 -0.09 6.09 2.81 -0.35 -4.55 117.12 119.37 3hd2 n MET 124 Ca 0.02 0.26 -0.14 0.00 -1.81 0.00 0.00 57.70 56.03 3hd2 n MET 124 Cb 0.24 -1.59 -0.04 0.00 -0.71 0.00 0.00 33.22 31.12 3hd2 n MET 124 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3hd2 h LEU 125 N -0.36 0.85 -0.20 4.03 3.38 -0.92 -3.06 115.31 119.04 3hd2 h LEU 125 Ca -0.54 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 56.90 3hd2 h LEU 125 Cb 1.78 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 3hd2 h LEU 125 CO -0.14 1.19 0.02 -0.50 0.09 0.00 0.00 178.44 179.10 3hd2 h TRP 126 N 0.54 0.37 -0.39 1.13 4.06 -1.32 0.76 115.95 121.10 3hd2 h TRP 126 Ca 0.03 -0.06 -0.05 0.00 2.06 0.00 0.00 58.89 60.88 3hd2 h TRP 126 Cb 1.00 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 29.04 3hd2 h TRP 126 CO 0.07 0.50 0.03 -1.35 -3.56 0.00 0.00 178.44 174.14 3hd2 h PRO 127 N 0.13 0.61 -0.56 0.49 0.11 -1.78 -1.82 132.00 129.17 3hd2 h PRO 127 Ca 0.06 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 3hd2 h PRO 127 Cb 0.34 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 3hd2 h PRO 127 CO 0.01 0.61 0.17 1.25 -0.21 0.00 0.00 178.00 179.83 3hd2 h LEU 128 N 0.58 0.82 -1.37 2.35 5.85 -1.39 -2.81 115.31 119.34 3hd2 h LEU 128 Ca 0.13 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3hd2 h LEU 128 Cb 0.32 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3hd2 h LEU 128 CO 0.01 0.82 0.01 0.15 -0.34 0.00 0.00 178.44 179.08 3hd2 h PHE 129 N 0.79 0.43 -0.69 1.25 3.57 -0.42 0.16 116.94 122.03 3hd2 h PHE 129 Ca 0.18 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.69 3hd2 h PHE 129 Cb 0.29 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 3hd2 h PHE 129 CO 0.02 0.43 0.42 1.49 -2.23 0.00 0.00 178.31 178.43 3hd2 h GLU 130 N 0.41 0.78 0.00 1.11 4.81 -1.08 -2.67 114.58 117.94 3hd2 h GLU 130 Ca 0.09 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3hd2 h GLU 130 Cb 0.26 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3hd2 h GLU 130 CO 0.01 0.52 -0.97 0.44 -0.73 0.00 0.00 179.01 178.27 3hd2 n ILE 131 N -4.70 0.03 -2.98 2.32 -5.35 -0.85 -4.62 119.36 103.21 3hd2 n ILE 131 Ca 0.08 -0.08 -0.15 0.00 -0.27 0.00 0.00 62.75 62.33 3hd2 n ILE 131 Cb 0.11 0.64 0.01 0.00 -1.74 0.00 0.00 39.64 38.66 3hd2 n ILE 131 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hd2 n ALA 132 N -1.61 0.66 0.27 -1.28 0.00 0.50 -4.99 120.51 114.05 3hd2 n ALA 132 Ca 0.03 -2.47 0.12 0.00 0.00 0.00 0.00 53.44 51.12 3hd2 n ALA 132 Cb 0.37 -1.05 0.75 0.00 0.00 0.00 0.00 19.45 19.52 3hd2 n ALA 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3hd2 h PRO 133 N 3.38 0.00 -0.59 0.00 0.13 -1.68 -2.16 132.00 131.07 3hd2 h PRO 133 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3hd2 h PRO 133 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3hd2 h PRO 133 CO 0.35 0.09 0.00 0.39 -0.23 0.00 0.00 178.00 178.60 3hd2 n GLU 134 N -3.85 2.50 -1.75 0.86 -0.58 -1.26 -4.30 120.64 112.27 3hd2 n GLU 134 Ca -0.02 -2.14 -0.42 0.00 -0.42 0.00 0.00 57.16 54.16 3hd2 n GLU 134 Cb 0.18 -1.51 -0.01 0.00 -0.57 0.00 0.00 31.44 29.53 3hd2 n GLU 134 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3hd2 n LEU 135 N 1.15 4.35 -4.34 -4.62 0.00 -0.81 -4.89 117.00 107.83 3hd2 n LEU 135 Ca 0.20 1.16 -0.32 0.00 0.00 0.00 0.00 56.01 57.05 3hd2 n LEU 135 Cb 0.54 -1.59 -0.15 0.00 0.00 0.00 0.00 43.42 42.22 3hd2 n LEU 135 CO 0.14 0.10 -0.50 -0.69 0.00 0.00 0.00 177.39 176.45 3hd2 s VAL 136 N -0.24 2.62 0.69 1.96 1.01 -1.26 -1.39 120.40 123.79 3hd2 s VAL 136 Ca 0.62 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 3hd2 s VAL 136 Cb -0.50 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 33.85 3hd2 s VAL 136 CO 0.52 0.56 1.07 -0.36 0.00 0.00 0.00 175.10 176.88 3hd2 s PHE 137 N -0.03 3.27 0.38 5.22 0.40 0.12 -4.94 117.98 122.40 3hd2 s PHE 137 Ca -0.05 1.24 0.13 0.00 -0.60 0.00 0.00 56.93 57.65 3hd2 s PHE 137 Cb -0.14 -2.92 0.96 0.00 0.51 0.00 0.00 43.02 41.42 3hd2 s PHE 137 CO 0.04 -1.15 1.85 -1.35 0.70 0.00 0.00 175.22 175.31 3hd2 h PRO 138 N -0.65 0.52 -0.06 0.24 0.11 -1.87 -0.85 132.00 129.44 3hd2 h PRO 138 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hd2 h PRO 138 Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hd2 h PRO 138 CO 0.61 0.34 0.00 -0.40 -0.21 0.00 0.00 178.00 178.34 3hd2 n ASP 139 N -4.56 0.93 0.00 -2.05 5.75 -1.26 -4.90 116.55 110.47 3hd2 n ASP 139 Ca 0.19 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.49 3hd2 n ASP 139 Cb 0.61 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 3hd2 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hd2 n GLY 140 N 1.03 0.36 3.75 6.12 0.00 -0.32 -5.07 105.19 111.06 3hd2 n GLY 140 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3hd2 n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hd2 s GLU 141 N -0.90 3.09 -0.09 1.61 2.02 -1.26 -4.76 118.70 118.40 3hd2 s GLU 141 Ca 0.00 1.97 0.01 0.00 0.02 0.00 0.00 54.97 56.98 3hd2 s GLU 141 Cb 0.00 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 3hd2 s GLU 141 CO 0.00 -1.15 -0.12 -1.64 0.02 0.00 0.00 175.26 172.36 3hd2 s MET 142 N -3.11 2.97 0.25 1.61 -1.94 -1.26 0.12 119.30 117.94 3hd2 s MET 142 Ca 0.74 -0.66 -0.03 0.00 -1.71 0.00 0.00 55.69 54.03 3hd2 s MET 142 Cb -0.34 -2.54 0.50 0.00 2.01 0.00 0.00 34.83 34.46 3hd2 s MET 142 CO 0.39 0.43 1.72 1.25 -0.01 0.00 0.00 175.02 178.80 3hd2 h LEU 143 N 5.99 0.26 -0.78 -0.03 5.85 -1.55 0.14 115.31 125.19 3hd2 h LEU 143 Ca -0.37 0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.55 3hd2 h LEU 143 Cb 1.18 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 3hd2 h LEU 143 CO 0.54 0.07 0.44 -0.09 -0.34 0.00 0.00 178.44 179.06 3hd2 h ARG 144 N 0.42 0.74 -0.50 1.25 2.43 -1.79 -2.13 114.38 114.79 3hd2 h ARG 144 Ca 0.44 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.56 3hd2 h ARG 144 Cb 0.70 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3hd2 h ARG 144 CO -0.44 0.49 0.31 0.37 -1.51 0.00 0.00 179.97 179.19 3hd2 h GLN 145 N 0.76 0.68 -0.41 0.20 4.15 -1.13 -0.36 115.11 118.99 3hd2 h GLN 145 Ca 0.37 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.71 3hd2 h GLN 145 Cb 0.31 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 3hd2 h GLN 145 CO -0.23 0.48 0.17 0.82 -1.93 0.00 0.00 178.83 178.15 3hd2 h ILE 146 N 0.68 1.19 -0.64 2.39 2.04 -0.83 -0.11 117.51 122.23 3hd2 h ILE 146 Ca 0.18 -0.57 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 3hd2 h ILE 146 Cb -0.03 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 3hd2 h ILE 146 CO -0.04 0.21 0.09 -0.07 0.00 0.00 0.00 178.15 178.34 3hd2 h LEU 147 N 0.51 1.01 -0.57 1.44 3.38 -1.26 -1.61 115.31 118.21 3hd2 h LEU 147 Ca 0.14 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3hd2 h LEU 147 Cb 0.16 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3hd2 h LEU 147 CO -0.01 1.02 0.23 -0.74 0.09 0.00 0.00 178.44 179.03 3hd2 h HIS 148 N 0.99 0.87 -0.22 1.13 2.76 -0.82 -0.65 115.15 119.20 3hd2 h HIS 148 Ca 0.19 -0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 3hd2 h HIS 148 Cb 0.44 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 3hd2 h HIS 148 CO 0.03 0.70 -0.11 1.15 -1.30 0.00 0.00 177.93 178.39 3hd2 h THR 149 N 0.79 1.31 0.00 6.26 2.02 -0.85 -3.33 112.91 119.11 3hd2 h THR 149 Ca 0.19 -1.19 -0.10 0.00 0.77 0.00 0.00 66.41 66.08 3hd2 h THR 149 Cb 0.19 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 3hd2 h THR 149 CO -0.02 0.37 -1.00 0.03 0.37 0.00 0.00 175.52 175.27 3hd2 h ARG 150 N 0.17 0.00 -3.06 6.66 2.47 -1.32 -3.48 114.38 115.82 3hd2 h ARG 150 Ca 0.05 0.00 -0.42 0.00 -1.26 0.00 0.00 59.98 58.35 3hd2 h ARG 150 Cb 0.61 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.92 3hd2 h ARG 150 CO 0.03 0.24 -0.54 0.00 0.56 0.00 0.00 179.97 180.26 3hd2 n ALA 151 N -2.28 -0.64 -1.65 0.04 0.00 -0.25 -4.92 120.51 110.81 3hd2 n ALA 151 Ca -0.04 0.18 -0.45 0.00 0.00 0.00 0.00 53.44 53.13 3hd2 n ALA 151 Cb 0.72 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.86 3hd2 n ALA 151 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hd2 n PHE 152 N -4.04 1.90 -1.85 0.00 3.72 -1.26 -4.90 117.46 111.02 3hd2 n PHE 152 Ca -0.24 0.54 -0.39 0.00 -0.05 0.00 0.00 57.45 57.31 3hd2 n PHE 152 Cb 0.69 -2.39 0.02 0.00 -0.94 0.00 0.00 39.48 36.86 3hd2 n PHE 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hd2 s ASP 153 N -0.03 5.80 0.68 4.37 1.01 -1.26 -4.97 116.67 122.26 3hd2 s ASP 153 Ca 0.64 2.82 -0.16 0.00 0.71 0.00 0.00 52.55 56.56 3hd2 s ASP 153 Cb -0.67 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 40.63 3hd2 s ASP 153 CO 0.55 -1.22 1.21 -0.54 0.21 0.00 0.00 175.17 175.38 3hd2 s LYS 154 N -2.55 2.43 0.11 8.23 1.02 -1.26 -4.98 119.74 122.74 3hd2 s LYS 154 Ca 0.63 1.79 -0.06 0.00 0.02 0.00 0.00 55.97 58.35 3hd2 s LYS 154 Cb -0.41 -1.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 3hd2 s LYS 154 CO 0.52 -1.61 0.36 -0.51 -0.92 0.00 0.00 175.35 173.19 3hd2 s LEU 155 N -4.78 4.30 0.26 3.17 1.43 -1.26 -5.08 118.68 116.73 3hd2 s LEU 155 Ca 0.76 0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 54.19 3hd2 s LEU 155 Cb -0.30 -3.14 -0.09 0.00 0.03 0.00 0.00 46.19 42.69 3hd2 s LEU 155 CO 0.41 0.11 1.02 0.20 0.23 0.00 0.00 176.35 178.33 3hd2 s ASN 156 N -2.17 7.45 0.53 2.29 -0.87 -1.26 -4.95 114.94 115.96 3hd2 s ASN 156 Ca 0.37 2.11 -0.19 0.00 -1.57 0.00 0.00 52.86 53.59 3hd2 s ASN 156 Cb -0.13 -2.62 -0.07 0.00 -0.02 0.00 0.00 41.25 38.42 3hd2 s ASN 156 CO 0.22 0.00 1.07 -0.54 -2.57 0.00 0.00 177.10 175.28 3hd2 s LYS 157 N -1.31 3.55 0.00 -0.60 1.02 -1.26 -0.62 119.74 120.52 3hd2 s LYS 157 Ca 0.43 1.39 0.00 0.00 0.02 0.00 0.00 55.97 57.81 3hd2 s LYS 157 Cb -0.29 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 3hd2 s LYS 157 CO 0.37 -0.64 0.41 1.87 -0.92 0.00 0.00 175.35 176.44