#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gia n TRP 56 N 0.00 -1.33 -3.93 2.13 7.02 -1.26 -5.01 117.44 115.06 2gia n TRP 56 Ca 0.00 0.03 -0.34 0.00 -1.02 0.00 0.00 57.50 56.17 2gia n TRP 56 Cb 0.00 -1.64 -0.14 0.00 -2.42 0.00 0.00 31.31 27.12 2gia n TRP 56 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2gia s ARG 57 N -3.84 2.09 -0.38 -0.99 0.52 -1.26 -5.09 118.95 110.01 2gia s ARG 57 Ca 0.61 -1.54 -0.11 0.00 -0.52 0.00 0.00 55.73 54.17 2gia s ARG 57 Cb -0.18 -3.22 0.02 0.00 0.52 0.00 0.00 34.95 32.09 2gia s ARG 57 CO 0.66 -0.78 0.22 1.03 0.02 0.00 0.00 175.30 176.44 2gia s ARG 58 N 1.12 2.87 -0.00 3.54 3.00 -1.26 -5.01 118.95 123.21 2gia s ARG 58 Ca 0.01 -1.05 -0.04 0.00 0.00 0.00 0.00 55.73 54.65 2gia s ARG 58 Cb -0.20 -3.76 -0.02 0.00 0.00 0.00 0.00 34.95 30.97 2gia s ARG 58 CO -0.04 -0.69 0.68 -1.35 0.00 0.00 0.00 175.30 173.90 2gia h PRO 59 N 8.46 -0.13 -0.89 3.54 0.11 -2.00 -3.09 132.00 138.00 2gia h PRO 59 Ca -0.26 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2gia h PRO 59 Cb 1.11 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 2gia h PRO 59 CO 0.67 -0.09 0.57 0.66 -0.21 0.00 0.00 178.00 179.61 2gia h SER 60 N -0.20 1.03 -0.98 -2.05 4.64 -1.99 -2.33 113.55 111.68 2gia h SER 60 Ca -0.01 -0.04 0.10 0.00 -0.47 0.00 0.00 61.79 61.36 2gia h SER 60 Cb 0.11 -0.26 -0.07 0.00 -0.31 0.00 0.00 62.40 61.86 2gia h SER 60 CO 0.02 0.76 0.63 -0.07 -0.87 0.00 0.00 176.83 177.31 2gia h LEU 61 N 1.21 0.94 -0.35 5.97 -0.00 -2.00 0.22 115.31 121.30 2gia h LEU 61 Ca 0.32 0.03 -0.18 0.00 -0.00 0.00 0.00 57.88 58.05 2gia h LEU 61 Cb -0.11 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 40.38 2gia h LEU 61 CO -0.07 0.54 -0.52 0.00 -0.00 0.00 0.00 178.44 178.39 2gia h ALA 62 N 1.52 0.52 -0.21 1.53 0.00 -1.37 -2.97 119.26 118.28 2gia h ALA 62 Ca 0.46 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2gia h ALA 62 Cb 0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2gia h ALA 62 CO -0.22 0.68 -0.12 0.37 0.00 0.00 0.00 179.25 179.97 2gia h GLN 63 N 0.65 0.44 0.00 0.00 5.75 -0.65 -3.07 115.11 118.23 2gia h GLN 63 Ca 0.02 -0.20 -0.04 0.00 -0.15 0.00 0.00 58.65 58.28 2gia h GLN 63 Cb 1.12 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.66 2gia h GLN 63 CO 0.12 0.74 -0.20 -0.56 -2.65 0.00 0.00 178.83 176.28 2gia h GLN 64 N 0.14 0.00 0.08 1.69 3.07 -0.73 -2.54 115.11 116.81 2gia h GLN 64 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 2gia h GLN 64 Cb 0.62 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.18 2gia h GLN 64 CO 0.03 0.20 -0.06 0.00 0.09 0.00 0.00 178.83 179.10 2gia h ARG 65 N 0.00 -0.13 -0.68 0.06 2.47 -1.43 -0.14 114.38 114.53 2gia h ARG 65 Ca -0.00 0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.66 2gia h ARG 65 Cb 0.63 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.95 2gia h ARG 65 CO 0.03 -0.09 0.14 0.00 0.56 0.00 0.00 179.97 180.61 2gia h ALA 66 N 0.79 0.96 0.20 0.04 0.00 -1.48 -2.38 119.26 117.38 2gia h ALA 66 Ca -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.66 2gia h ALA 66 Cb 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2gia h ALA 66 CO -0.00 0.66 -0.23 0.00 0.00 0.00 0.00 179.25 179.67 2gia h ARG 67 N 1.04 -0.46 -0.93 0.00 2.47 -1.13 -0.10 114.38 115.27 2gia h ARG 67 Ca 0.21 0.03 0.05 0.00 -1.26 0.00 0.00 59.98 59.01 2gia h ARG 67 Cb 0.39 0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.76 2gia h ARG 67 CO 0.01 -0.31 0.61 -0.09 0.56 0.00 0.00 179.97 180.74 2gia h ARG 68 N -0.48 1.09 -0.27 0.04 2.43 -0.97 -1.00 114.38 115.22 2gia h ARG 68 Ca 0.01 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 2gia h ARG 68 Cb 0.46 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2gia h ARG 68 CO -0.08 0.72 -0.30 0.00 -1.51 0.00 0.00 179.97 178.80 2gia h ALA 69 N 1.48 0.40 -0.14 2.80 0.00 -1.01 -3.32 119.26 119.46 2gia h ALA 69 Ca 0.39 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2gia h ALA 69 Cb 0.10 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2gia h ALA 69 CO -0.13 0.42 -0.67 1.96 0.00 0.00 0.00 179.25 180.84 2gia h GLN 70 N 0.41 0.69 -7.32 0.00 4.20 -0.71 -3.46 115.11 108.91 2gia h GLN 70 Ca 0.04 -0.56 -0.50 0.00 0.06 0.00 0.00 58.65 57.68 2gia h GLN 70 Cb 0.88 0.12 0.14 0.00 0.30 0.00 0.00 27.48 28.91 2gia h GLN 70 CO 0.07 1.18 0.30 -0.51 -0.67 0.00 0.00 178.83 179.20 2gia s LEU 71 N -8.49 2.76 0.43 1.46 2.01 -0.41 -4.97 118.68 111.47 2gia s LEU 71 Ca -0.11 1.69 -0.26 0.00 0.01 0.00 0.00 54.13 55.46 2gia s LEU 71 Cb 0.07 -4.29 -0.09 0.00 0.01 0.00 0.00 46.19 41.89 2gia s LEU 71 CO 0.87 -2.23 1.40 -2.84 1.01 0.00 0.00 176.35 174.56 2gia s PRO 72 N -4.92 3.80 0.45 1.29 0.02 -1.26 -4.95 135.00 129.43 2gia s PRO 72 Ca 0.62 2.36 -0.25 0.00 0.02 0.00 0.00 61.00 63.74 2gia s PRO 72 Cb -0.17 -2.71 -0.08 0.00 0.02 0.00 0.00 34.50 31.55 2gia s PRO 72 CO 0.56 -0.70 1.44 -2.14 -0.33 0.00 0.00 177.00 175.83 2gia s PRO 73 N -2.36 3.68 0.08 5.54 0.02 -1.25 -4.77 135.00 135.94 2gia s PRO 73 Ca 0.59 2.45 -0.27 0.00 0.02 0.00 0.00 61.00 63.79 2gia s PRO 73 Cb -0.42 -2.66 0.09 0.00 0.02 0.00 0.00 34.50 31.52 2gia s PRO 73 CO 0.55 -0.83 1.05 0.00 -0.33 0.00 0.00 177.00 177.44 2gia s ALA 74 N -1.19 -1.84 0.07 -1.55 0.00 -1.26 -1.24 121.76 114.74 2gia s ALA 74 Ca 0.61 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.93 2gia s ALA 74 Cb -0.44 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2gia s ALA 74 CO 0.57 -0.99 0.11 -0.59 0.00 0.00 0.00 175.76 174.86 2gia s PHE 75 N -3.00 0.27 -0.01 0.00 -0.12 -0.65 -4.99 117.98 109.47 2gia s PHE 75 Ca 0.12 -0.72 0.03 0.00 -0.05 0.00 0.00 56.93 56.31 2gia s PHE 75 Cb 0.00 -0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.19 2gia s PHE 75 CO -0.01 -0.47 -0.07 -0.51 -0.05 0.00 0.00 175.22 174.11 2gia s ASP 76 N -2.77 4.58 -0.35 1.98 1.01 -1.26 -1.27 116.67 118.58 2gia s ASP 76 Ca 0.04 -0.13 -0.03 0.00 0.71 0.00 0.00 52.55 53.14 2gia s ASP 76 Cb 0.05 -1.07 0.07 0.00 1.01 0.00 0.00 42.92 42.98 2gia s ASP 76 CO -0.10 0.30 0.11 -0.69 0.21 0.00 0.00 175.17 175.00 2gia s VAL 77 N -0.94 3.28 -0.26 -1.27 1.01 0.19 -5.00 120.40 117.42 2gia s VAL 77 Ca 0.16 -1.61 -0.10 0.00 0.00 0.00 0.00 61.98 60.43 2gia s VAL 77 Cb -0.11 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2gia s VAL 77 CO 0.06 -0.37 0.14 -0.69 0.00 0.00 0.00 175.10 174.25 2gia s VAL 78 N 1.24 5.03 -0.46 2.92 1.01 -1.26 -1.25 120.40 127.63 2gia s VAL 78 Ca 0.01 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.15 2gia s VAL 78 Cb -0.21 -3.37 0.35 0.00 0.00 0.00 0.00 36.38 33.15 2gia s VAL 78 CO -0.02 0.31 0.83 1.41 0.00 0.00 0.00 175.10 177.63 2gia n HIS 79 N 4.73 1.82 -1.76 5.22 8.25 -0.18 -5.04 115.22 128.26 2gia n HIS 79 Ca -0.15 -3.87 -0.34 0.00 -0.26 0.00 0.00 57.72 53.10 2gia n HIS 79 Cb 0.52 -0.44 0.05 0.00 1.12 0.00 0.00 29.99 31.24 2gia n HIS 79 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2gia s TRP 80 N -2.88 2.41 -0.39 4.41 0.23 -1.25 -1.29 118.94 120.18 2gia s TRP 80 Ca 0.44 1.56 0.07 0.00 -2.03 0.00 0.00 56.10 56.14 2gia s TRP 80 Cb 0.32 -3.33 0.18 0.00 0.03 0.00 0.00 33.47 30.67 2gia s TRP 80 CO -0.10 -2.04 0.58 1.21 0.96 0.00 0.00 176.95 177.55 2gia s ASN 81 N -2.16 -1.08 0.12 2.95 2.47 -1.26 -4.87 114.94 111.11 2gia s ASN 81 Ca 0.72 -0.81 -0.14 0.00 0.42 0.00 0.00 52.86 53.05 2gia s ASN 81 Cb -0.25 1.73 -0.05 0.00 -1.45 0.00 0.00 41.25 41.23 2gia s ASN 81 CO 0.39 -0.20 1.48 0.44 -3.72 0.00 0.00 177.10 175.49 2gia h ASP 82 N 7.13 0.78 -1.00 -4.21 3.32 -1.95 -1.61 116.42 118.88 2gia h ASP 82 Ca 0.04 -0.42 0.38 0.00 0.02 0.00 0.00 57.03 57.05 2gia h ASP 82 Cb 1.16 -0.22 -0.18 0.00 0.22 0.00 0.00 39.33 40.31 2gia h ASP 82 CO 0.12 1.04 0.45 -0.08 -1.72 0.00 0.00 179.24 179.05 2gia h GLU 83 N 0.54 0.03 -1.90 3.56 4.57 -2.03 -3.17 114.58 116.18 2gia h GLU 83 Ca 0.07 -0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 57.87 2gia h GLU 83 Cb 0.76 -0.01 -0.30 0.00 -0.16 0.00 0.00 28.75 29.04 2gia h GLU 83 CO 0.06 0.02 -0.72 0.34 -1.18 0.00 0.00 179.01 177.53 2gia s ASP 84 N -4.65 0.86 0.55 1.04 -1.08 -1.05 -5.02 116.67 107.31 2gia s ASP 84 Ca -0.10 -1.90 0.35 0.00 -0.52 0.00 0.00 52.55 50.38 2gia s ASP 84 Cb 0.33 0.55 1.53 0.00 -1.46 0.00 0.00 42.92 43.86 2gia s ASP 84 CO 0.78 -0.21 1.82 0.40 0.52 0.00 0.00 175.17 178.48 2gia h ILE 85 N 4.94 0.43 0.00 4.11 2.04 -1.27 -0.40 117.51 127.35 2gia h ILE 85 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2gia h ILE 85 Cb 1.03 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2gia h ILE 85 CO 0.20 0.00 0.00 0.77 0.00 0.00 0.00 178.15 179.12 2gia h SER 86 N 0.00 0.00 -0.06 1.72 4.64 -1.87 -2.91 113.55 115.07 2gia h SER 86 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 2gia h SER 86 Cb 2.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.22 2gia h SER 86 CO -0.01 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.49 2gia n ARG 87 N -2.79 1.56 -3.37 4.77 1.74 -0.16 -4.95 116.66 113.46 2gia n ARG 87 Ca 0.01 -1.62 -0.38 0.00 -0.77 0.00 0.00 57.85 55.09 2gia n ARG 87 Cb 0.27 -1.35 -0.06 0.00 -1.02 0.00 0.00 32.46 30.30 2gia n ARG 87 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2gia s GLY 88 N -1.44 2.58 0.18 -0.13 0.00 -1.10 -4.84 107.32 102.57 2gia s GLY 88 Ca 0.22 -0.08 -0.11 0.00 0.00 0.00 0.00 44.72 44.75 2gia s GLY 88 CO 0.22 0.35 0.34 -2.38 0.00 0.00 0.00 173.10 171.63 2gia s HIS 89 N -1.00 0.31 -0.03 1.90 -3.43 -0.41 -0.25 115.29 112.38 2gia s HIS 89 Ca 0.27 -0.67 0.01 0.00 -0.80 0.00 0.00 55.06 53.87 2gia s HIS 89 Cb -0.18 0.04 0.02 0.00 -1.43 0.00 0.00 32.58 31.02 2gia s HIS 89 CO 0.16 -0.78 -0.04 -1.17 -2.00 0.00 0.00 174.74 170.91 2gia s LEU 90 N -2.96 1.47 -0.17 5.38 2.96 -0.04 -1.02 118.68 124.32 2gia s LEU 90 Ca 0.16 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2gia s LEU 90 Cb 0.02 -0.37 0.01 0.00 0.50 0.00 0.00 46.19 46.35 2gia s LEU 90 CO 0.00 -0.03 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.60 2gia s LEU 91 N 0.66 2.24 -0.14 -0.68 2.96 -0.38 0.42 118.68 123.76 2gia s LEU 91 Ca -0.08 -0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 53.20 2gia s LEU 91 Cb -0.11 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2gia s LEU 91 CO -0.00 0.04 0.02 -0.13 -1.32 0.00 0.00 176.35 174.96 2gia s ARG 92 N 1.08 3.53 -0.21 1.98 0.52 -0.35 0.53 118.95 126.03 2gia s ARG 92 Ca -0.00 -0.40 -0.03 0.00 -0.52 0.00 0.00 55.73 54.77 2gia s ARG 92 Cb -0.14 -2.99 -0.01 0.00 0.52 0.00 0.00 34.95 32.33 2gia s ARG 92 CO -0.07 0.44 -0.05 0.08 0.02 0.00 0.00 175.30 175.73 2gia s VAL 93 N -0.15 3.34 0.25 3.52 1.01 -0.39 -0.67 120.40 127.30 2gia s VAL 93 Ca 0.05 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2gia s VAL 93 Cb -0.12 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2gia s VAL 93 CO 0.02 0.44 0.08 -1.48 0.00 0.00 0.00 175.10 174.16 2gia s LEU 94 N 1.35 1.71 -0.17 3.92 2.34 -0.10 -1.63 118.68 126.09 2gia s LEU 94 Ca 0.04 -1.36 0.01 0.00 0.06 0.00 0.00 54.13 52.88 2gia s LEU 94 Cb -0.14 0.00 0.02 0.00 -0.56 0.00 0.00 46.19 45.51 2gia s LEU 94 CO -0.03 -0.71 -0.17 -2.28 -1.06 0.00 0.00 176.35 172.11 2gia s HIS 95 N -3.73 2.51 -0.13 3.48 5.65 -0.38 -0.21 115.29 122.49 2gia s HIS 95 Ca 0.36 -1.47 -0.06 0.00 0.25 0.00 0.00 55.06 54.14 2gia s HIS 95 Cb 0.08 -1.77 0.06 0.00 -1.18 0.00 0.00 32.58 29.76 2gia s HIS 95 CO 0.12 -0.75 0.29 0.50 -0.65 0.00 0.00 174.74 174.25 2gia s ARG 96 N 1.38 0.22 -1.40 2.88 3.52 -0.13 -3.88 118.95 121.54 2gia s ARG 96 Ca 0.05 0.66 -0.03 0.00 -0.13 0.00 0.00 55.73 56.28 2gia s ARG 96 Cb -0.13 -0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.22 2gia s ARG 96 CO -0.12 -0.20 0.61 -0.25 -0.81 0.00 0.00 175.30 174.53 2gia n ASP 97 N 4.63 -1.29 0.00 -2.12 8.00 -1.26 -1.15 116.55 123.36 2gia n ASP 97 Ca -0.19 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.41 2gia n ASP 97 Cb 0.52 -3.52 0.00 0.00 -0.02 0.00 0.00 41.12 38.10 2gia n ASP 97 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2gia n THR 98 N -4.38 0.00 -4.12 -3.53 -2.24 -1.26 -5.01 114.28 93.75 2gia n THR 98 Ca -0.25 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.23 2gia n THR 98 Cb 0.66 -0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.53 2gia n THR 98 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2gia s PHE 99 N -2.38 3.07 -0.22 4.78 0.08 -0.30 -3.50 117.98 119.50 2gia s PHE 99 Ca 0.00 0.03 -0.14 0.00 0.12 0.00 0.00 56.93 56.93 2gia s PHE 99 Cb 0.00 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 2gia s PHE 99 CO 0.00 0.49 0.33 0.08 -0.10 0.00 0.00 175.22 176.02 2gia s VAL 100 N -1.31 5.24 -0.13 -0.44 1.01 -0.56 -0.96 120.40 123.25 2gia s VAL 100 Ca 0.26 0.54 -0.03 0.00 0.00 0.00 0.00 61.98 62.75 2gia s VAL 100 Cb -0.12 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2gia s VAL 100 CO 0.18 0.27 -0.04 -0.69 0.00 0.00 0.00 175.10 174.82 2gia s VAL 101 N 1.31 3.90 -0.32 2.92 1.01 0.71 -0.42 120.40 129.50 2gia s VAL 101 Ca 0.15 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 2gia s VAL 101 Cb -0.14 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.58 2gia s VAL 101 CO 0.07 0.52 0.11 -0.76 0.00 0.00 0.00 175.10 175.04 2gia s LEU 102 N 0.06 4.17 -0.43 3.92 1.43 0.36 -0.92 118.68 127.27 2gia s LEU 102 Ca -0.00 -0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 52.04 2gia s LEU 102 Cb -0.13 -1.89 0.06 0.00 0.03 0.00 0.00 46.19 44.25 2gia s LEU 102 CO 0.03 -0.28 0.30 -1.81 0.23 0.00 0.00 176.35 174.82 2gia s ASP 103 N 1.46 5.88 -0.11 2.29 1.01 0.15 -0.80 116.67 126.55 2gia s ASP 103 Ca 0.01 -1.29 -0.18 0.00 0.71 0.00 0.00 52.55 51.80 2gia s ASP 103 Cb -0.18 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 2gia s ASP 103 CO 0.03 -0.54 0.46 -0.47 0.21 0.00 0.00 175.17 174.86 2gia s TYR 104 N 1.55 3.53 0.08 4.23 6.14 0.52 -1.21 117.35 132.18 2gia s TYR 104 Ca 0.03 0.88 0.08 0.00 0.64 0.00 0.00 57.07 58.70 2gia s TYR 104 Cb -0.22 -2.52 -0.03 0.00 0.42 0.00 0.00 41.96 39.61 2gia s TYR 104 CO 0.05 0.21 -0.20 -1.01 0.64 0.00 0.00 175.55 175.24 2gia s HIS 105 N 0.48 1.76 0.06 4.97 3.76 0.17 -0.40 115.29 126.09 2gia s HIS 105 Ca 0.25 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 54.76 2gia s HIS 105 Cb -0.15 -0.99 -0.04 0.00 1.11 0.00 0.00 32.58 32.51 2gia s HIS 105 CO 0.10 0.17 0.16 -0.98 -0.85 0.00 0.00 174.74 173.34 2gia s ARG 106 N -1.69 3.26 0.20 1.40 1.70 -0.77 -0.86 118.95 122.20 2gia s ARG 106 Ca 0.06 -0.50 -0.30 0.00 -0.47 0.00 0.00 55.73 54.52 2gia s ARG 106 Cb -0.10 -2.95 -0.09 0.00 -0.57 0.00 0.00 34.95 31.24 2gia s ARG 106 CO 0.03 0.61 1.42 -1.14 -1.08 0.00 0.00 175.30 175.14 2gia s GLN 107 N -2.38 4.30 -0.03 3.89 0.74 0.65 -2.05 119.66 124.78 2gia s GLN 107 Ca 0.32 2.21 -0.01 0.00 0.05 0.00 0.00 55.36 57.93 2gia s GLN 107 Cb -0.13 -3.16 -0.00 0.00 1.10 0.00 0.00 33.01 30.82 2gia s GLN 107 CO 0.25 -0.40 -0.02 0.00 -0.55 0.00 0.00 175.29 174.56 2gia h ALA 108 N 5.62 0.00 -2.11 1.58 0.00 0.17 -3.45 119.26 121.06 2gia h ALA 108 Ca -0.45 -0.16 -0.47 0.00 0.00 0.00 0.00 54.91 53.84 2gia h ALA 108 Cb 1.21 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 2gia h ALA 108 CO 0.81 0.05 -0.68 -0.98 0.00 0.00 0.00 179.25 178.46 2gia s ARG 109 N -1.19 1.49 0.74 0.00 3.03 -1.25 -5.02 118.95 116.75 2gia s ARG 109 Ca -0.02 -1.75 -0.15 0.00 2.03 0.00 0.00 55.73 55.85 2gia s ARG 109 Cb 0.00 -1.06 0.05 0.00 -1.03 0.00 0.00 34.95 32.91 2gia s ARG 109 CO 0.02 0.03 1.21 -1.64 -1.13 0.00 0.00 175.30 173.79 2gia s MET 110 N -3.74 2.05 0.63 3.89 -1.94 -1.26 -4.78 119.30 114.14 2gia s MET 110 Ca 0.29 1.77 0.42 0.00 -1.71 0.00 0.00 55.69 56.46 2gia s MET 110 Cb 0.04 -1.82 2.26 0.00 2.01 0.00 0.00 34.83 37.32 2gia s MET 110 CO 0.11 -1.91 2.28 -0.07 -0.01 0.00 0.00 175.02 175.42 2gia h LEU 111 N -0.39 0.00 -5.80 -0.03 3.38 -1.96 -3.22 115.31 107.29 2gia h LEU 111 Ca -0.47 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 56.74 2gia h LEU 111 Cb 1.30 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.90 2gia h LEU 111 CO 0.49 0.00 2.19 0.35 0.09 0.00 0.00 178.44 181.57 2gia n THR 112 N -2.99 5.29 0.00 0.22 -2.24 -1.26 -4.89 114.28 108.41 2gia n THR 112 Ca -0.03 -4.56 0.00 0.00 -2.27 0.00 0.00 64.05 57.19 2gia n THR 112 Cb 0.08 -2.03 0.00 0.00 -2.10 0.00 0.00 70.33 66.27 2gia n THR 112 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2gia n GLU 113 N 1.67 0.00 -0.93 -0.78 0.28 -1.22 -5.17 120.64 114.49 2gia n GLU 113 Ca 0.58 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 57.29 2gia n GLU 113 Cb 0.26 0.00 0.22 0.00 1.43 0.00 0.00 31.44 33.35 2gia n GLU 113 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2gia s GLU 114 N -2.00 -0.69 0.00 3.44 4.04 -1.26 -4.96 118.70 117.27 2gia s GLU 114 Ca 0.00 0.38 0.00 0.00 0.04 0.00 0.00 54.97 55.39 2gia s GLU 114 Cb 0.00 -1.62 0.00 0.00 0.02 0.00 0.00 34.13 32.53 2gia s GLU 114 CO 0.00 -3.45 0.00 0.41 -1.84 0.00 0.00 175.26 170.38 2gia n GLY 115 N -0.38 -0.92 3.68 -3.83 0.00 -1.26 -4.89 105.19 97.59 2gia n GLY 115 Ca 0.07 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2gia n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gia s ASN 116 N -2.74 6.59 0.25 1.61 0.02 -1.26 -4.88 114.94 114.52 2gia s ASN 116 Ca 0.00 2.47 0.23 0.00 -1.02 0.00 0.00 52.86 54.54 2gia s ASN 116 Cb 0.00 -2.55 0.96 0.00 0.02 0.00 0.00 41.25 39.68 2gia s ASN 116 CO 0.00 -0.91 1.71 0.29 0.02 0.00 0.00 177.10 178.20 2gia n LYS 117 N 6.05 0.19 -4.10 -0.60 4.01 -1.26 -4.34 118.16 118.11 2gia n LYS 117 Ca 0.17 0.41 -0.11 0.00 -0.51 0.00 0.00 58.31 58.26 2gia n LYS 117 Cb 0.41 -1.86 -0.11 0.00 -0.51 0.00 0.00 35.03 32.96 2gia n LYS 117 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2gia s ALA 118 N -3.30 0.67 -0.07 7.82 0.00 -1.26 0.18 121.76 125.81 2gia s ALA 118 Ca 0.05 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2gia s ALA 118 Cb 0.09 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.35 2gia s ALA 118 CO 0.39 -0.14 -0.04 -2.00 0.00 0.00 0.00 175.76 173.98 2gia s GLU 119 N -2.55 0.94 -0.05 0.00 -6.30 -0.87 -4.80 118.70 105.06 2gia s GLU 119 Ca -0.01 -0.08 -0.30 0.00 -2.50 0.00 0.00 54.97 52.08 2gia s GLU 119 Cb -0.03 -1.06 -0.05 0.00 0.00 0.00 0.00 34.13 32.99 2gia s GLU 119 CO -0.02 -0.18 1.58 0.50 0.02 0.00 0.00 175.26 177.15 2gia s ARG 120 N 1.41 4.20 -0.20 4.30 3.52 -1.26 -1.85 118.95 129.07 2gia s ARG 120 Ca -0.03 2.11 -0.01 0.00 -0.13 0.00 0.00 55.73 57.67 2gia s ARG 120 Cb -0.13 -3.89 -0.21 0.00 -1.56 0.00 0.00 34.95 29.16 2gia s ARG 120 CO -0.03 -0.79 0.04 0.28 -0.81 0.00 0.00 175.30 173.99 2gia n VAL 121 N 5.33 1.61 -3.62 7.11 0.31 0.47 -4.96 118.33 124.58 2gia n VAL 121 Ca 0.16 -0.62 -0.16 0.00 -0.01 0.00 0.00 64.34 63.72 2gia n VAL 121 Cb 0.43 -1.52 -0.07 0.00 -0.91 0.00 0.00 33.84 31.76 2gia n VAL 121 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2gia s VAL 122 N -2.54 0.02 -0.09 2.52 0.11 -1.00 -5.04 120.40 114.39 2gia s VAL 122 Ca -0.29 -0.17 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 2gia s VAL 122 Cb 0.08 -0.84 0.02 0.00 -1.53 0.00 0.00 36.38 34.11 2gia s VAL 122 CO 0.68 -0.10 -0.07 -0.55 -3.33 0.00 0.00 175.10 171.73 2gia s SER 123 N -1.11 1.83 -0.17 3.54 0.15 -1.26 -0.36 113.70 116.33 2gia s SER 123 Ca -0.11 -0.25 -0.05 0.00 0.70 0.00 0.00 55.95 56.25 2gia s SER 123 Cb -0.02 -0.73 -0.03 0.00 -1.71 0.00 0.00 66.02 63.53 2gia s SER 123 CO 0.07 -0.08 -0.01 -0.69 1.20 0.00 0.00 173.24 173.73 2gia s VAL 124 N 1.39 4.10 -0.23 4.45 1.01 0.02 -4.97 120.40 126.18 2gia s VAL 124 Ca -0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 2gia s VAL 124 Cb -0.13 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 2gia s VAL 124 CO -0.04 0.47 -0.01 -0.04 0.00 0.00 0.00 175.10 175.48 2gia s MET 125 N 0.51 3.47 -0.26 2.72 -1.94 -1.26 -0.49 119.30 122.05 2gia s MET 125 Ca -0.01 -0.58 -0.10 0.00 -1.71 0.00 0.00 55.69 53.29 2gia s MET 125 Cb -0.14 -3.09 -0.04 0.00 2.01 0.00 0.00 34.83 33.56 2gia s MET 125 CO 0.02 -0.17 0.14 -0.51 -0.01 0.00 0.00 175.02 174.49 2gia s LEU 126 N 1.46 3.84 0.82 -0.03 1.43 0.44 -4.98 118.68 121.65 2gia s LEU 126 Ca 0.05 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 2gia s LEU 126 Cb -0.14 -2.05 0.09 0.00 0.03 0.00 0.00 46.19 44.11 2gia s LEU 126 CO -0.01 -0.02 1.13 -2.84 0.23 0.00 0.00 176.35 174.84 2gia s PRO 127 N 1.57 1.75 0.51 1.29 0.02 -1.26 -1.50 135.00 137.38 2gia s PRO 127 Ca 0.07 1.44 0.27 0.00 0.02 0.00 0.00 61.00 62.80 2gia s PRO 127 Cb -0.15 -1.82 1.37 0.00 0.02 0.00 0.00 34.50 33.92 2gia s PRO 127 CO 0.07 -2.07 1.90 0.00 -0.33 0.00 0.00 177.00 176.58 2gia h ALA 128 N -1.23 2.63 0.00 -1.55 0.00 -1.96 -1.25 119.26 115.89 2gia h ALA 128 Ca -0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2gia h ALA 128 Cb 1.26 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2gia h ALA 128 CO 0.47 -0.88 -0.04 -0.24 0.00 0.00 0.00 179.25 178.56 2gia h VAL 129 N 0.10 0.61 0.00 0.00 3.04 -1.91 -2.11 116.25 115.97 2gia h VAL 129 Ca 0.41 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.92 2gia h VAL 129 Cb 1.46 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 31.85 2gia h VAL 129 CO -0.05 0.04 0.00 -1.22 -1.01 0.00 0.00 177.57 175.33 2gia n TYR 130 N -3.88 0.80 0.10 3.17 4.01 -0.47 -4.07 117.16 116.83 2gia n TYR 130 Ca -0.03 0.26 -0.12 0.00 -0.16 0.00 0.00 57.90 57.85 2gia n TYR 130 Cb 0.13 -0.93 -0.06 0.00 -0.31 0.00 0.00 39.34 38.18 2gia n TYR 130 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2gia h THR 131 N 0.00 0.66 0.00 -0.72 2.02 -1.55 -1.52 112.91 111.80 2gia h THR 131 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2gia h THR 131 Cb 0.58 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2gia h THR 131 CO 0.00 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.75 2gia h ALA 132 N 0.55 1.69 -0.16 6.16 0.00 -1.78 -0.30 119.26 125.41 2gia h ALA 132 Ca 0.02 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 2gia h ALA 132 Cb 0.31 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2gia h ALA 132 CO -0.07 0.18 -0.65 0.00 0.00 0.00 0.00 179.25 178.71 2gia h ARG 133 N 0.00 0.61 -0.31 0.00 3.08 -1.53 0.04 114.38 116.27 2gia h ARG 133 Ca -0.00 -0.43 -0.10 0.00 0.07 0.00 0.00 59.98 59.51 2gia h ARG 133 Cb 0.26 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2gia h ARG 133 CO 0.02 1.05 -0.21 0.74 -1.07 0.00 0.00 179.97 180.51 2gia h PHE 134 N 0.44 0.81 -0.97 3.04 0.04 -0.98 -3.02 116.94 116.30 2gia h PHE 134 Ca -0.01 -0.22 0.02 0.00 2.80 0.00 0.00 57.97 60.56 2gia h PHE 134 Cb 1.23 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 39.14 2gia h PHE 134 CO 0.06 0.94 0.64 -0.07 -0.60 0.00 0.00 178.31 179.27 2gia h LEU 135 N 0.44 1.08 -1.64 1.54 3.38 -0.93 -1.20 115.31 117.98 2gia h LEU 135 Ca 0.06 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2gia h LEU 135 Cb 0.76 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2gia h LEU 135 CO 0.06 0.76 0.25 0.00 0.09 0.00 0.00 178.44 179.60 2gia h ALA 136 N 1.42 1.75 -0.03 1.53 0.00 -0.87 0.14 119.26 123.21 2gia h ALA 136 Ca 0.37 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 2gia h ALA 136 Cb -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2gia h ALA 136 CO -0.10 0.22 -0.23 0.28 0.00 0.00 0.00 179.25 179.42 2gia h VAL 137 N 0.49 1.49 -0.32 0.00 2.07 -1.15 0.17 116.25 119.00 2gia h VAL 137 Ca 0.14 -1.77 0.01 0.00 0.82 0.00 0.00 66.70 65.91 2gia h VAL 137 Cb -0.02 2.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 2gia h VAL 137 CO -0.03 0.49 0.21 -0.07 0.02 0.00 0.00 177.57 178.19 2gia h LEU 138 N -0.39 0.33 -1.32 2.57 3.38 -0.78 -1.78 115.31 117.32 2gia h LEU 138 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2gia h LEU 138 Cb 0.92 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2gia h LEU 138 CO 0.05 0.23 0.00 -0.62 0.09 0.00 0.00 178.44 178.19 2gia n GLU 139 N -4.49 1.87 -0.89 1.13 1.02 0.45 -4.94 120.64 114.79 2gia n GLU 139 Ca 0.02 -1.30 0.00 0.00 -0.02 0.00 0.00 57.16 55.86 2gia n GLU 139 Cb 0.11 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 2gia n GLU 139 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gia n GLY 140 N 1.21 0.58 0.10 0.62 0.00 -0.67 -4.93 105.19 102.11 2gia n GLY 140 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 2gia n GLY 140 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2gia h ARG 141 N 1.47 0.00 -6.12 1.61 2.43 -1.23 -3.47 114.38 109.07 2gia h ARG 141 Ca 0.00 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.59 2gia h ARG 141 Cb 0.00 0.00 -0.25 0.00 -0.42 0.00 0.00 29.97 29.30 2gia h ARG 141 CO 0.00 0.40 -0.84 0.45 -1.51 0.00 0.00 179.97 178.47 2gia s SER 142 N -6.02 2.51 0.00 -3.80 0.15 -0.61 -4.98 113.70 100.94 2gia s SER 142 Ca -0.01 -0.57 0.25 0.00 0.70 0.00 0.00 55.95 56.31 2gia s SER 142 Cb 0.08 -0.19 0.41 0.00 -1.71 0.00 0.00 66.02 64.62 2gia s SER 142 CO 0.80 0.14 1.35 -0.62 1.20 0.00 0.00 173.24 176.10 2gia n GLU 143 N 1.64 0.32 -3.56 5.44 -0.58 -1.26 -4.21 120.64 118.42 2gia n GLU 143 Ca -0.18 -0.21 -0.11 0.00 -0.42 0.00 0.00 57.16 56.25 2gia n GLU 143 Cb 0.53 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.86 2gia n GLU 143 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2gia s LYS 144 N -2.83 0.66 -0.04 3.49 2.20 -1.26 -4.23 119.74 117.73 2gia s LYS 144 Ca 0.15 0.08 0.01 0.00 -0.36 0.00 0.00 55.97 55.85 2gia s LYS 144 Cb 0.18 0.31 0.02 0.00 -1.51 0.00 0.00 37.83 36.83 2gia s LYS 144 CO 0.67 -0.22 -0.05 0.54 -0.36 0.00 0.00 175.35 175.93 2gia s VAL 145 N -1.45 0.53 -0.09 4.02 0.11 -0.91 -4.95 120.40 117.66 2gia s VAL 145 Ca -0.01 -0.14 0.01 0.00 -2.93 0.00 0.00 61.98 58.90 2gia s VAL 145 Cb -0.01 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 2gia s VAL 145 CO 0.01 0.21 -0.10 -1.61 -3.33 0.00 0.00 175.10 170.27 2gia s GLU 146 N 0.76 2.92 -0.15 1.54 2.02 -1.26 -1.39 118.70 123.13 2gia s GLU 146 Ca -0.10 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.27 2gia s GLU 146 Cb -0.13 -2.57 -0.00 0.00 0.10 0.00 0.00 34.13 31.53 2gia s GLU 146 CO 0.00 0.50 -0.16 0.08 0.02 0.00 0.00 175.26 175.70 2gia s VAL 147 N -0.39 2.60 -0.08 2.63 1.01 0.14 -4.99 120.40 121.32 2gia s VAL 147 Ca 0.05 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2gia s VAL 147 Cb -0.12 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.18 2gia s VAL 147 CO 0.02 0.52 -0.11 -1.00 0.00 0.00 0.00 175.10 174.53 2gia s HIS 148 N 0.80 1.47 0.33 5.22 3.76 -1.26 -0.53 115.29 125.09 2gia s HIS 148 Ca -0.06 -0.61 -0.02 0.00 -0.15 0.00 0.00 55.06 54.22 2gia s HIS 148 Cb -0.15 -1.12 -0.00 0.00 1.11 0.00 0.00 32.58 32.41 2gia s HIS 148 CO -0.00 -0.35 0.44 -1.12 -0.85 0.00 0.00 174.74 172.86 2gia s SER 149 N 0.97 0.88 0.00 1.40 0.01 0.21 -4.97 113.70 112.21 2gia s SER 149 Ca -0.09 -1.47 0.25 0.00 1.31 0.00 0.00 55.95 55.96 2gia s SER 149 Cb -0.15 0.64 1.27 0.00 0.21 0.00 0.00 66.02 67.99 2gia s SER 149 CO 0.00 -1.25 1.85 0.54 0.41 0.00 0.00 173.24 174.79 2gia n ARG 150 N -0.55 1.30 0.00 12.44 5.12 -1.26 -3.40 116.66 130.31 2gia n ARG 150 Ca 0.01 -0.44 0.00 0.00 -1.93 0.00 0.00 57.85 55.50 2gia n ARG 150 Cb 0.62 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.50 2gia n ARG 150 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2gia n TYR 151 N -0.42 0.00 -4.05 -1.55 4.01 -1.26 -4.79 117.16 109.10 2gia n TYR 151 Ca 0.19 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.78 2gia n TYR 151 Cb 0.20 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.08 2gia n TYR 151 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2gia s THR 152 N -1.50 0.26 -0.32 -0.72 -4.23 -1.22 -0.44 115.64 107.47 2gia s THR 152 Ca 0.00 -0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.37 2gia s THR 152 Cb 0.00 -0.23 0.11 0.00 1.34 0.00 0.00 72.50 73.72 2gia s THR 152 CO 0.00 0.08 0.13 0.21 -0.54 0.00 0.00 174.62 174.50 2gia s ASN 153 N 0.00 3.73 0.12 3.99 2.47 -0.99 0.67 114.94 124.94 2gia s ASN 153 Ca 0.00 -1.67 0.04 0.00 0.42 0.00 0.00 52.86 51.66 2gia s ASN 153 Cb -0.02 -0.67 -0.04 0.00 -1.45 0.00 0.00 41.25 39.07 2gia s ASN 153 CO -0.00 -0.40 -0.10 0.00 -3.72 0.00 0.00 177.10 172.87 2gia s ALA 154 N 1.60 1.32 0.09 1.71 0.00 0.31 -1.63 121.76 125.18 2gia s ALA 154 Ca 0.11 -1.36 0.05 0.00 0.00 0.00 0.00 51.96 50.77 2gia s ALA 154 Cb -0.18 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2gia s ALA 154 CO -0.24 -0.06 -0.14 0.95 0.00 0.00 0.00 175.76 176.27 2gia s THR 155 N -2.89 1.18 -0.08 0.00 -4.23 -0.23 0.23 115.64 109.61 2gia s THR 155 Ca 0.12 -1.51 -0.01 0.00 -1.18 0.00 0.00 61.69 59.11 2gia s THR 155 Cb -0.00 -1.29 0.03 0.00 1.34 0.00 0.00 72.50 72.57 2gia s THR 155 CO 0.00 -0.34 -0.03 0.12 -0.54 0.00 0.00 174.62 173.83 2gia s PHE 156 N -1.77 0.94 0.13 3.99 5.36 -0.49 -1.68 117.98 124.46 2gia s PHE 156 Ca 0.03 -0.35 -0.06 0.00 -0.96 0.00 0.00 56.93 55.60 2gia s PHE 156 Cb -0.07 -0.92 -0.02 0.00 -0.34 0.00 0.00 43.02 41.67 2gia s PHE 156 CO 0.02 -0.37 0.16 0.95 -1.46 0.00 0.00 175.22 174.52 2gia s THR 157 N 1.76 0.11 0.55 0.12 -4.23 -0.92 -2.15 115.64 110.87 2gia s THR 157 Ca 0.03 -1.56 -0.19 0.00 -1.18 0.00 0.00 61.69 58.79 2gia s THR 157 Cb -0.13 -1.78 -0.06 0.00 1.34 0.00 0.00 72.50 71.88 2gia s THR 157 CO -0.05 -0.49 1.10 -2.84 -0.54 0.00 0.00 174.62 171.80 2gia s PRO 158 N -3.97 3.38 -0.30 3.99 0.02 -1.26 -0.17 135.00 136.70 2gia s PRO 158 Ca 0.16 1.51 -0.11 0.00 0.02 0.00 0.00 61.00 62.57 2gia s PRO 158 Cb 0.05 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 2gia s PRO 158 CO -0.02 -0.80 0.20 1.21 -0.33 0.00 0.00 177.00 177.26 2gia s ASN 159 N -1.98 6.01 0.44 2.53 3.84 0.52 -4.67 114.94 121.64 2gia s ASN 159 Ca 0.70 -0.14 0.18 0.00 0.21 0.00 0.00 52.86 53.82 2gia s ASN 159 Cb -0.21 -2.12 1.13 0.00 -0.55 0.00 0.00 41.25 39.50 2gia s ASN 159 CO 0.28 -0.10 1.91 -0.65 -2.79 0.00 0.00 177.10 175.74 2gia h PRO 160 N 8.40 0.33 -0.48 0.43 0.11 -1.95 -2.96 132.00 135.89 2gia h PRO 160 Ca -0.34 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.89 2gia h PRO 160 Cb 1.18 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2gia h PRO 160 CO 0.58 0.22 0.45 0.00 -0.21 0.00 0.00 178.00 179.03 2gia h ALA 161 N 1.64 2.26 -1.90 -0.75 0.00 -1.95 -3.43 119.26 115.12 2gia h ALA 161 Ca 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2gia h ALA 161 Cb 1.03 0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.64 2gia h ALA 161 CO -0.12 -0.69 0.21 0.00 0.00 0.00 0.00 179.25 178.65 2gia s ALA 162 N -4.73 -1.84 0.62 0.00 0.00 -1.12 -5.14 121.76 109.56 2gia s ALA 162 Ca -0.05 2.01 -0.19 0.00 0.00 0.00 0.00 51.96 53.74 2gia s ALA 162 Cb 0.17 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 2gia s ALA 162 CO 0.61 -0.32 1.28 -2.14 0.00 0.00 0.00 175.76 175.20 2gia s PRO 163 N 0.40 2.72 -1.70 0.00 0.02 -1.26 -2.85 135.00 132.33 2gia s PRO 163 Ca 0.00 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.06 2gia s PRO 163 Cb -0.05 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.55 2gia s PRO 163 CO -0.02 -1.46 0.00 0.66 -0.33 0.00 0.00 177.00 175.85 2gia n TYR 164 N -1.72 -0.49 -4.34 6.54 4.01 -1.26 -4.83 117.16 115.07 2gia n TYR 164 Ca 0.15 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.64 2gia n TYR 164 Cb 0.48 -3.35 -0.12 0.00 -0.31 0.00 0.00 39.34 36.03 2gia n TYR 164 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2gia s THR 165 N -2.80 1.93 0.13 -0.72 -4.23 -1.13 -4.02 115.64 104.80 2gia s THR 165 Ca 0.00 -1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 58.75 2gia s THR 165 Cb 0.00 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 2gia s THR 165 CO 0.00 -0.10 0.06 -0.36 -0.54 0.00 0.00 174.62 173.68 2gia s PHE 166 N -1.44 0.86 -0.06 3.99 0.08 -0.71 -0.36 117.98 120.34 2gia s PHE 166 Ca 0.12 -1.23 0.01 0.00 0.12 0.00 0.00 56.93 55.95 2gia s PHE 166 Cb -0.09 -0.47 0.02 0.00 -0.57 0.00 0.00 43.02 41.91 2gia s PHE 166 CO 0.06 -0.53 -0.06 0.99 -0.10 0.00 0.00 175.22 175.58 2gia s THR 167 N -4.05 0.67 -0.28 0.64 2.01 0.76 -0.73 115.64 114.66 2gia s THR 167 Ca 0.24 -0.17 -0.10 0.00 0.31 0.00 0.00 61.69 61.97 2gia s THR 167 Cb 0.07 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 2gia s THR 167 CO 0.02 0.26 0.15 -0.22 -0.69 0.00 0.00 174.62 174.15 2gia s LEU 168 N 1.05 3.87 -0.10 4.42 2.96 -0.14 -2.16 118.68 128.58 2gia s LEU 168 Ca -0.09 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 2gia s LEU 168 Cb -0.14 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.51 2gia s LEU 168 CO -0.00 -0.07 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.21 2gia s LYS 169 N 1.70 2.69 -0.02 1.98 1.02 -0.68 -0.05 119.74 126.38 2gia s LYS 169 Ca 0.07 -0.75 -0.06 0.00 0.02 0.00 0.00 55.97 55.25 2gia s LYS 169 Cb -0.16 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 2gia s LYS 169 CO 0.08 0.09 0.12 0.00 -0.92 0.00 0.00 175.35 174.73 2gia s THR 171 N -0.82 1.91 0.28 0.00 -4.23 -0.64 -0.90 115.64 111.24 2gia s THR 171 Ca -0.09 -1.49 -0.02 0.00 -1.18 0.00 0.00 61.69 58.91 2gia s THR 171 Cb -0.05 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.65 2gia s THR 171 CO 0.01 -0.07 0.51 -0.44 -0.54 0.00 0.00 174.62 174.08 2gia s SER 172 N 1.22 6.38 -0.00 3.99 0.01 0.14 -2.34 113.70 123.10 2gia s SER 172 Ca -0.07 0.55 -0.06 0.00 1.31 0.00 0.00 55.95 57.67 2gia s SER 172 Cb -0.20 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2gia s SER 172 CO -0.06 -0.18 0.12 0.42 0.41 0.00 0.00 173.24 173.95 2gia s THR 173 N -2.09 0.07 0.15 1.44 -4.23 0.42 -0.44 115.64 110.96 2gia s THR 173 Ca 0.41 -0.61 -0.13 0.00 -1.18 0.00 0.00 61.69 60.19 2gia s THR 173 Cb -0.10 -0.38 0.01 0.00 1.34 0.00 0.00 72.50 73.37 2gia s THR 173 CO 0.31 -0.33 0.36 0.00 -0.54 0.00 0.00 174.62 174.42 2gia s ARG 174 N -1.16 1.13 -0.19 3.99 1.70 0.11 -4.44 118.95 120.09 2gia s ARG 174 Ca -0.13 -0.93 -0.29 0.00 -0.47 0.00 0.00 55.73 53.91 2gia s ARG 174 Cb -0.07 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.70 2gia s ARG 174 CO 0.01 -0.43 1.74 -1.25 -1.08 0.00 0.00 175.30 174.29 2gia s PRO 175 N -3.88 3.75 -0.36 3.89 0.04 -1.26 0.60 135.00 137.77 2gia s PRO 175 Ca 0.09 1.84 -0.17 0.00 0.04 0.00 0.00 61.00 62.80 2gia s PRO 175 Cb 0.02 -4.10 -0.00 0.00 0.04 0.00 0.00 34.50 30.46 2gia s PRO 175 CO -0.06 -1.36 0.45 0.34 0.04 0.00 0.00 177.00 176.41 2gia s ASP 188 N 4.80 6.25 0.08 6.66 2.15 -1.26 -5.17 116.67 130.18 2gia s ASP 188 Ca 0.78 -0.23 0.03 0.00 0.43 0.00 0.00 52.55 53.56 2gia s ASP 188 Cb -0.28 -2.24 -0.04 0.00 -0.30 0.00 0.00 42.92 40.06 2gia s ASP 188 CO 0.32 -0.46 0.09 -1.61 -0.17 0.00 0.00 175.17 173.34 2gia s GLU 189 N 2.23 2.94 0.00 4.34 2.02 0.20 -5.12 118.70 125.31 2gia s GLU 189 Ca 0.15 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.46 2gia s GLU 189 Cb -0.16 -2.76 -0.00 0.00 0.10 0.00 0.00 34.13 31.31 2gia s GLU 189 CO 0.13 0.57 0.01 -0.08 0.02 0.00 0.00 175.26 175.91 2gia s THR 190 N -1.41 0.03 -0.09 3.63 -1.32 -1.26 -0.71 115.64 114.51 2gia s THR 190 Ca 0.30 -0.28 -0.03 0.00 -1.21 0.00 0.00 61.69 60.46 2gia s THR 190 Cb -0.12 -0.11 0.05 0.00 -1.51 0.00 0.00 72.50 70.80 2gia s THR 190 CO 0.23 -0.16 0.15 0.12 -2.21 0.00 0.00 174.62 172.75 2gia s PHE 191 N -0.46 -0.13 -0.16 9.09 5.36 0.42 -4.98 117.98 127.13 2gia s PHE 191 Ca -0.05 0.49 -0.10 0.00 -0.96 0.00 0.00 56.93 56.30 2gia s PHE 191 Cb -0.03 -0.32 -0.05 0.00 -0.34 0.00 0.00 43.02 42.28 2gia s PHE 191 CO -0.00 -0.30 0.18 -1.21 -1.46 0.00 0.00 175.22 172.44 2gia s GLU 192 N 2.27 3.98 0.05 10.12 2.02 -1.26 0.28 118.70 136.16 2gia s GLU 192 Ca 0.04 -0.09 -0.12 0.00 0.02 0.00 0.00 54.97 54.81 2gia s GLU 192 Cb -0.12 -3.35 0.01 0.00 0.10 0.00 0.00 34.13 30.77 2gia s GLU 192 CO -0.06 0.44 0.27 1.67 0.02 0.00 0.00 175.26 177.60 2gia s TRP 193 N -0.09 -0.04 -0.00 1.61 1.48 -0.07 -5.00 118.94 116.82 2gia s TRP 193 Ca 0.13 -0.15 0.01 0.00 -1.06 0.00 0.00 56.10 55.03 2gia s TRP 193 Cb -0.12 0.05 -0.00 0.00 -1.16 0.00 0.00 33.47 32.24 2gia s TRP 193 CO 0.02 -0.49 -0.03 0.99 -4.06 0.00 0.00 176.95 173.38 2gia s THR 194 N -2.70 0.24 -0.11 0.66 2.01 -1.26 -0.81 115.64 113.67 2gia s THR 194 Ca -0.04 -0.13 -0.00 0.00 0.31 0.00 0.00 61.69 61.83 2gia s THR 194 Cb -0.00 -0.21 0.02 0.00 0.01 0.00 0.00 72.50 72.32 2gia s THR 194 CO -0.04 0.07 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.19 2gia s VAL 195 N -0.07 1.03 0.09 3.82 1.01 0.93 -5.00 120.40 122.21 2gia s VAL 195 Ca 0.01 -0.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.49 2gia s VAL 195 Cb -0.01 -1.04 -0.07 0.00 0.00 0.00 0.00 36.38 35.26 2gia s VAL 195 CO -0.00 0.37 0.62 -1.61 0.00 0.00 0.00 175.10 174.47 2gia s GLU 196 N 1.67 4.29 -0.27 2.72 0.41 -1.26 -0.97 118.70 125.29 2gia s GLU 196 Ca 0.04 0.83 -0.01 0.00 -0.41 0.00 0.00 54.97 55.42 2gia s GLU 196 Cb -0.13 -3.25 0.04 0.00 -1.78 0.00 0.00 34.13 29.01 2gia s GLU 196 CO -0.08 0.60 -0.05 -0.06 -0.49 0.00 0.00 175.26 175.19 2gia s PHE 197 N -1.04 3.16 0.31 1.61 0.08 0.09 -4.99 117.98 117.20 2gia s PHE 197 Ca 0.31 -1.79 -0.05 0.00 0.12 0.00 0.00 56.93 55.51 2gia s PHE 197 Cb -0.20 -2.05 0.07 0.00 -0.57 0.00 0.00 43.02 40.27 2gia s PHE 197 CO 0.20 -0.78 0.37 -0.40 -0.10 0.00 0.00 175.22 174.51 2gia n ASP 198 N 4.61 -0.38 -0.23 1.36 5.68 -1.26 -1.74 116.55 124.59 2gia n ASP 198 Ca -0.15 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 2gia n ASP 198 Cb 0.45 -0.30 0.12 0.00 -1.14 0.00 0.00 41.12 40.25 2gia n ASP 198 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2gia h VAL 199 N -1.42 0.88 -0.08 2.12 2.07 -1.88 -0.45 116.25 117.49 2gia h VAL 199 Ca -0.13 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2gia h VAL 199 Cb 0.35 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2gia h VAL 199 CO 0.09 0.11 -0.04 0.00 0.02 0.00 0.00 177.57 177.74 2gia h ALA 200 N 1.40 0.12 -0.35 1.67 0.00 -1.92 -2.56 119.26 117.61 2gia h ALA 200 Ca 0.32 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2gia h ALA 200 Cb 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2gia h ALA 200 CO -0.24 -0.12 0.07 0.93 0.00 0.00 0.00 179.25 179.89 2gia h GLU 201 N -0.20 0.52 -0.27 0.00 5.08 -1.84 -0.01 114.58 117.87 2gia h GLU 201 Ca 0.02 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 2gia h GLU 201 Cb 0.50 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2gia h GLU 201 CO 0.01 0.50 -0.41 0.77 -1.00 0.00 0.00 179.01 178.88 2gia h SER 202 N 0.51 0.82 -0.60 1.42 0.02 -1.12 -0.90 113.55 113.70 2gia h SER 202 Ca 0.12 -0.52 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 2gia h SER 202 Cb 0.23 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2gia h SER 202 CO -0.00 1.17 0.28 0.25 -1.14 0.00 0.00 176.83 177.39 2gia h LEU 203 N 0.49 0.79 -0.69 5.07 5.85 -1.06 0.25 115.31 126.00 2gia h LEU 203 Ca 0.02 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.64 2gia h LEU 203 Cb 1.00 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 2gia h LEU 203 CO 0.09 0.71 0.43 0.24 -0.34 0.00 0.00 178.44 179.58 2gia h MET 204 N 0.82 0.83 -0.58 1.25 2.86 -0.83 -0.91 114.93 118.36 2gia h MET 204 Ca 0.20 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 2gia h MET 204 Cb 0.13 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2gia h MET 204 CO -0.02 0.55 -0.04 1.25 1.06 0.00 0.00 176.91 179.70 2gia h LEU 205 N 0.85 1.04 -0.61 1.22 5.85 -0.66 -0.46 115.31 122.54 2gia h LEU 205 Ca 0.28 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2gia h LEU 205 Cb 0.02 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 2gia h LEU 205 CO -0.11 1.11 0.22 -0.61 -0.34 0.00 0.00 178.44 178.71 2gia h GLN 206 N 0.95 0.92 -0.36 1.25 -0.00 -0.42 -0.39 115.11 117.06 2gia h GLN 206 Ca 0.16 -0.18 -0.16 0.00 -0.00 0.00 0.00 58.65 58.47 2gia h GLN 206 Cb 0.60 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.93 2gia h GLN 206 CO 0.04 0.80 -0.39 0.00 0.00 0.00 0.00 178.83 179.28 2gia h ARG 207 N 0.85 0.88 0.02 1.69 2.47 -1.04 -0.68 114.38 118.58 2gia h ARG 207 Ca 0.20 -0.47 -0.00 0.00 -1.26 0.00 0.00 59.98 58.45 2gia h ARG 207 Cb 0.24 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2gia h ARG 207 CO -0.01 1.11 -0.01 0.35 0.56 0.00 0.00 179.97 181.97 2gia h PHE 208 N 0.72 -0.02 -0.57 3.04 3.04 -0.87 0.19 116.94 122.47 2gia h PHE 208 Ca 0.06 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.95 2gia h PHE 208 Cb 0.98 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.47 2gia h PHE 208 CO 0.06 -0.00 0.14 -0.07 -2.02 0.00 0.00 178.31 176.42 2gia h LEU 209 N -0.03 0.81 -0.33 0.59 3.38 -1.05 0.10 115.31 118.78 2gia h LEU 209 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2gia h LEU 209 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2gia h LEU 209 CO 0.00 0.79 0.21 0.74 0.09 0.00 0.00 178.44 180.28 2gia h THR 210 N 0.84 1.10 -0.39 0.22 2.02 -0.75 -0.16 112.91 115.79 2gia h THR 210 Ca 0.18 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 2gia h THR 210 Cb 0.29 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 2gia h THR 210 CO -0.00 0.09 0.13 1.56 0.37 0.00 0.00 175.52 177.67 2gia h GLN 211 N 0.44 0.59 -0.84 6.66 1.08 -0.52 -1.12 115.11 121.40 2gia h GLN 211 Ca 0.12 -0.12 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 2gia h GLN 211 Cb -0.03 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.26 2gia h GLN 211 CO -0.02 0.59 0.54 0.00 -0.95 0.00 0.00 178.83 178.99 2gia h ALA 212 N 0.98 1.09 -0.50 3.87 0.00 -0.52 -0.50 119.26 123.68 2gia h ALA 212 Ca 0.13 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2gia h ALA 212 Cb 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2gia h ALA 212 CO -0.01 0.40 -0.01 1.25 0.00 0.00 0.00 179.25 180.89 2gia h LEU 213 N 1.07 0.88 0.11 0.00 5.85 -0.89 0.17 115.31 122.51 2gia h LEU 213 Ca 0.33 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2gia h LEU 213 Cb -0.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 2gia h LEU 213 CO -0.10 0.97 -0.13 -0.74 -0.34 0.00 0.00 178.44 178.11 2gia h HIS 214 N 0.76 -0.33 -0.26 1.25 2.76 -0.56 -1.18 115.15 117.58 2gia h HIS 214 Ca 0.14 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.24 2gia h HIS 214 Cb 0.53 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 2gia h HIS 214 CO 0.04 -0.20 -0.13 1.88 -1.30 0.00 0.00 177.93 178.22 2gia h TYR 215 N -0.27 0.64 0.00 5.26 0.05 -1.05 -2.63 116.97 118.97 2gia h TYR 215 Ca 0.01 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.61 2gia h TYR 215 Cb 0.27 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 37.86 2gia h TYR 215 CO -0.14 0.81 -0.09 -0.97 -1.05 0.00 0.00 178.16 176.72 2gia h ASN 216 N 0.29 0.00 1.45 3.88 -1.24 -0.57 -0.60 115.58 118.79 2gia h ASN 216 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2gia h ASN 216 Cb 0.64 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.69 2gia h ASN 216 CO 0.04 0.09 0.00 0.74 -1.29 0.00 0.00 177.43 177.01 2gia h THR 217 N 0.00 0.00 0.00 -3.57 2.02 -1.13 -3.47 112.91 106.76 2gia h THR 217 Ca -0.00 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.61 2gia h THR 217 Cb 0.23 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2gia h THR 217 CO 0.01 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.51 2gia n GLY 218 N 0.93 1.06 0.00 2.16 0.00 -0.23 -4.99 105.19 104.13 2gia n GLY 218 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 2gia n GLY 218 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2gia n PHE 219 N -1.71 0.03 0.60 1.61 3.72 -1.00 -2.20 117.46 118.51 2gia n PHE 219 Ca 0.00 0.01 0.09 0.00 -0.05 0.00 0.00 57.45 57.50 2gia n PHE 219 Cb 0.00 -0.52 0.10 0.00 -0.94 0.00 0.00 39.48 38.12 2gia n PHE 219 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2gia n ALA 220 N -1.51 2.44 0.20 4.37 0.00 -1.26 -5.03 120.51 119.72 2gia n ALA 220 Ca 0.03 -0.72 0.02 0.00 0.00 0.00 0.00 53.44 52.77 2gia n ALA 220 Cb 0.17 -0.62 0.10 0.00 0.00 0.00 0.00 19.45 19.10 2gia n ALA 220 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04