#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ndm s ILE 2 N 0.00 4.75 -0.15 0.53 1.01 -1.26 -5.00 121.20 121.08 1ndm s ILE 2 Ca 0.00 2.00 -0.14 0.00 0.00 0.00 0.00 60.65 62.51 1ndm s ILE 2 Cb 0.00 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 1ndm s ILE 2 CO 0.00 -0.07 0.29 -0.69 0.00 0.00 0.00 174.94 174.47 1ndm s VAL 3 N 2.52 5.30 -0.21 2.92 1.01 -1.26 -4.80 120.40 125.89 1ndm s VAL 3 Ca 0.45 0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.93 1ndm s VAL 3 Cb -0.17 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1ndm s VAL 3 CO 0.12 0.40 0.00 -0.76 0.00 0.00 0.00 175.10 174.87 1ndm s LEU 4 N 0.35 3.24 -0.14 3.92 1.43 -1.26 -0.41 118.68 125.81 1ndm s LEU 4 Ca 0.17 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1ndm s LEU 4 Cb -0.13 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1ndm s LEU 4 CO 0.04 0.04 -0.11 -0.89 0.23 0.00 0.00 176.35 175.66 1ndm s THR 5 N 1.14 3.22 -0.17 5.49 2.01 0.77 -3.89 115.64 124.21 1ndm s THR 5 Ca 0.03 -0.60 -0.00 0.00 0.31 0.00 0.00 61.69 61.43 1ndm s THR 5 Cb -0.14 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 70.00 1ndm s THR 5 CO 0.01 0.51 -0.15 -1.10 -0.69 0.00 0.00 174.62 173.21 1ndm s GLN 6 N 0.42 3.19 -0.01 4.92 -0.21 -1.26 -0.72 119.66 125.99 1ndm s GLN 6 Ca -0.09 -0.75 -0.01 0.00 0.02 0.00 0.00 55.36 54.54 1ndm s GLN 6 Cb -0.15 -2.66 0.01 0.00 1.00 0.00 0.00 33.01 31.20 1ndm s GLN 6 CO 0.05 -0.06 0.02 -1.12 -2.12 0.00 0.00 175.29 172.06 1ndm s SER 7 N 0.99 -0.01 0.82 5.90 0.01 -1.23 -4.21 113.70 115.97 1ndm s SER 7 Ca -0.02 0.04 -0.12 0.00 1.31 0.00 0.00 55.95 57.17 1ndm s SER 7 Cb -0.15 0.03 0.08 0.00 0.21 0.00 0.00 66.02 66.19 1ndm s SER 7 CO -0.03 -0.02 1.10 -2.84 0.41 0.00 0.00 173.24 171.86 1ndm s PRO 8 N 0.15 1.93 0.43 12.44 0.02 -1.26 -4.07 135.00 144.64 1ndm s PRO 8 Ca -0.01 0.64 0.24 0.00 0.02 0.00 0.00 61.00 61.89 1ndm s PRO 8 Cb -0.02 -1.90 0.75 0.00 0.02 0.00 0.00 34.50 33.35 1ndm s PRO 8 CO -0.00 -1.73 1.75 0.00 -0.33 0.00 0.00 177.00 176.69 1ndm h ALA 9 N -1.17 0.95 -3.75 -1.55 0.00 -1.82 -3.43 119.26 108.50 1ndm h ALA 9 Ca -0.47 -0.18 -0.29 0.00 0.00 0.00 0.00 54.91 53.97 1ndm h ALA 9 Cb 1.27 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.76 1ndm h ALA 9 CO 0.59 0.25 -0.74 0.99 0.00 0.00 0.00 179.25 180.33 1ndm s THR 10 N -3.46 0.32 -0.04 0.00 2.01 -1.26 0.32 115.64 113.53 1ndm s THR 10 Ca 0.02 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 1ndm s THR 10 Cb 0.09 -0.30 0.03 0.00 0.01 0.00 0.00 72.50 72.33 1ndm s THR 10 CO 0.65 0.01 0.06 -0.22 -0.69 0.00 0.00 174.62 174.43 1ndm s LEU 11 N -0.31 0.18 0.03 4.42 0.20 0.12 -4.89 118.68 118.44 1ndm s LEU 11 Ca -0.01 0.09 -0.17 0.00 0.69 0.00 0.00 54.13 54.73 1ndm s LEU 11 Cb -0.03 -0.11 -0.06 0.00 -0.43 0.00 0.00 46.19 45.56 1ndm s LEU 11 CO -0.00 -0.24 0.50 -0.44 -0.29 0.00 0.00 176.35 175.88 1ndm s SER 12 N 2.11 6.94 -0.00 3.68 0.01 -1.26 -1.32 113.70 123.87 1ndm s SER 12 Ca 0.04 1.12 -0.13 0.00 1.31 0.00 0.00 55.95 58.29 1ndm s SER 12 Cb -0.12 -2.31 0.02 0.00 0.21 0.00 0.00 66.02 63.81 1ndm s SER 12 CO -0.03 0.28 0.27 0.54 0.41 0.00 0.00 173.24 174.71 1ndm s VAL 13 N -1.01 0.07 -0.21 3.43 0.11 -0.34 -4.85 120.40 117.61 1ndm s VAL 13 Ca 0.27 -0.57 -0.07 0.00 -2.93 0.00 0.00 61.98 58.68 1ndm s VAL 13 Cb -0.18 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1ndm s VAL 13 CO 0.16 -0.31 0.06 -0.89 -3.33 0.00 0.00 175.10 170.79 1ndm s THR 14 N -1.55 4.56 0.07 5.04 2.01 -1.26 -0.97 115.64 123.54 1ndm s THR 14 Ca -0.12 -0.10 -0.37 0.00 0.31 0.00 0.00 61.69 61.40 1ndm s THR 14 Cb -0.05 -3.09 -0.18 0.00 0.01 0.00 0.00 72.50 69.20 1ndm s THR 14 CO 0.02 0.40 1.20 -2.65 -0.69 0.00 0.00 174.62 172.91 1ndm n PRO 15 N 4.14 0.70 0.00 4.92 -0.02 -1.26 -1.21 135.00 142.27 1ndm n PRO 15 Ca -0.16 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1ndm n PRO 15 Cb 0.52 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1ndm n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ndm n GLY 16 N 2.08 2.09 3.93 -1.23 0.00 -0.24 -4.96 105.19 106.86 1ndm n GLY 16 Ca 0.19 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 1ndm n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ndm s ASP 17 N -0.05 5.37 0.25 1.61 1.01 -0.35 -4.35 116.67 120.16 1ndm s ASP 17 Ca 0.00 0.52 0.08 0.00 0.71 0.00 0.00 52.55 53.86 1ndm s ASP 17 Cb 0.00 -1.43 -0.04 0.00 1.01 0.00 0.00 42.92 42.46 1ndm s ASP 17 CO 0.00 -1.18 0.10 -0.44 0.21 0.00 0.00 175.17 173.85 1ndm s SER 18 N -4.37 5.08 0.07 0.27 0.01 -1.26 -0.14 113.70 113.36 1ndm s SER 18 Ca 0.55 -0.41 -0.02 0.00 1.31 0.00 0.00 55.95 57.38 1ndm s SER 18 Cb -0.11 -1.15 -0.03 0.00 0.21 0.00 0.00 66.02 64.94 1ndm s SER 18 CO 0.44 -0.01 0.02 0.68 0.41 0.00 0.00 173.24 174.78 1ndm s VAL 19 N -2.15 0.19 -0.05 3.43 -7.23 -0.91 -4.97 120.40 108.71 1ndm s VAL 19 Ca 0.32 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 58.79 1ndm s VAL 19 Cb -0.08 -1.56 0.01 0.00 0.56 0.00 0.00 36.38 35.32 1ndm s VAL 19 CO 0.22 -0.88 -0.12 -0.44 -0.31 0.00 0.00 175.10 173.58 1ndm s SER 20 N -2.93 1.63 -0.11 4.85 0.01 -1.26 -1.68 113.70 114.20 1ndm s SER 20 Ca 0.09 -0.27 -0.01 0.00 1.31 0.00 0.00 55.95 57.07 1ndm s SER 20 Cb 0.07 -0.63 -0.02 0.00 0.21 0.00 0.00 66.02 65.65 1ndm s SER 20 CO -0.09 0.06 -0.08 -0.76 0.41 0.00 0.00 173.24 172.78 1ndm s LEU 21 N 0.45 3.05 -0.03 2.44 1.43 0.41 -4.95 118.68 121.48 1ndm s LEU 21 Ca -0.10 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1ndm s LEU 21 Cb -0.13 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1ndm s LEU 21 CO 0.02 0.24 0.15 -0.55 0.23 0.00 0.00 176.35 176.44 1ndm s SER 22 N -0.09 6.18 -0.17 2.29 0.15 -1.26 -1.28 113.70 119.52 1ndm s SER 22 Ca 0.00 0.32 -0.04 0.00 0.70 0.00 0.00 55.95 56.93 1ndm s SER 22 Cb -0.13 -1.91 0.09 0.00 -1.71 0.00 0.00 66.02 62.35 1ndm s SER 22 CO 0.03 0.30 0.28 0.00 1.20 0.00 0.00 173.24 175.05 1ndm s ARG 24 N 2.43 2.52 -0.08 0.00 3.00 0.10 -1.01 118.95 125.91 1ndm s ARG 24 Ca 0.05 -0.72 -0.01 0.00 0.00 0.00 0.00 55.73 55.04 1ndm s ARG 24 Cb -0.14 -2.35 -0.03 0.00 0.00 0.00 0.00 34.95 32.43 1ndm s ARG 24 CO -0.11 0.58 -0.01 0.00 0.00 0.00 0.00 175.30 175.77 1ndm s ALA 25 N -0.63 3.25 -0.11 2.13 0.00 -0.27 -0.16 121.76 125.97 1ndm s ALA 25 Ca 0.09 -0.83 0.28 0.00 0.00 0.00 0.00 51.96 51.51 1ndm s ALA 25 Cb -0.11 -1.44 1.34 0.00 0.00 0.00 0.00 23.12 22.91 1ndm s ALA 25 CO 0.01 0.59 1.85 0.66 0.00 0.00 0.00 175.76 178.87 1ndm h SER 26 N 5.11 0.00 -4.57 0.00 4.64 -1.08 -3.42 113.55 114.23 1ndm h SER 26 Ca -0.50 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.61 1ndm h SER 26 Cb 1.19 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.05 1ndm h SER 26 CO 0.54 0.00 -0.71 -1.10 -0.87 0.00 0.00 176.83 174.69 1ndm s GLN 27 N -3.58 0.26 0.29 4.77 -0.21 -1.26 -4.96 119.66 114.97 1ndm s GLN 27 Ca 0.00 -0.44 -0.30 0.00 0.02 0.00 0.00 55.36 54.64 1ndm s GLN 27 Cb 0.09 0.01 -0.11 0.00 1.00 0.00 0.00 33.01 34.00 1ndm s GLN 27 CO 0.37 -0.02 1.49 0.45 -2.12 0.00 0.00 175.29 175.47 1ndm s SER 28 N -1.02 6.52 -0.02 5.90 0.15 -1.26 -4.72 113.70 119.25 1ndm s SER 28 Ca -0.10 2.83 0.03 0.00 0.70 0.00 0.00 55.95 59.41 1ndm s SER 28 Cb -0.07 -2.64 0.05 0.00 -1.71 0.00 0.00 66.02 61.66 1ndm s SER 28 CO -0.01 -0.79 0.89 2.30 1.20 0.00 0.00 173.24 176.83 1ndm n ILE 29 N 1.91 0.78 0.00 6.45 -5.35 0.01 -4.98 119.36 118.18 1ndm n ILE 29 Ca 0.06 -0.85 0.00 0.00 -0.27 0.00 0.00 62.75 61.69 1ndm n ILE 29 Cb 0.39 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 1ndm n ILE 29 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1ndm n SER 30 N -0.48 0.00 -0.72 7.28 7.64 -1.24 -1.75 113.62 124.35 1ndm n SER 30 Ca 0.03 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.97 1ndm n SER 30 Cb 0.43 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.82 1ndm n SER 30 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ndm n ASN 31 N 9.77 3.27 -2.62 6.43 2.04 -1.26 -0.95 115.26 131.93 1ndm n ASN 31 Ca 0.00 -2.37 -0.26 0.00 -0.44 0.00 0.00 54.58 51.51 1ndm n ASN 31 Cb 0.00 -0.34 -0.08 0.00 -2.53 0.00 0.00 39.78 36.83 1ndm n ASN 31 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1ndm n ASN 32 N 0.13 6.68 -4.07 0.53 4.13 -0.72 -2.36 115.26 119.58 1ndm n ASN 32 Ca 0.15 -2.89 -0.28 0.00 1.68 0.00 0.00 54.58 53.24 1ndm n ASN 32 Cb 0.59 -1.36 -0.17 0.00 -1.54 0.00 0.00 39.78 37.31 1ndm n ASN 32 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1ndm s LEU 33 N -1.20 1.76 0.13 3.41 1.98 -1.26 -2.22 118.68 121.28 1ndm s LEU 33 Ca 0.62 -0.42 0.10 0.00 -2.89 0.00 0.00 54.13 51.54 1ndm s LEU 33 Cb 0.30 -1.09 -0.04 0.00 0.66 0.00 0.00 46.19 46.02 1ndm s LEU 33 CO -0.11 0.03 -0.24 -1.00 -1.89 0.00 0.00 176.35 173.15 1ndm s HIS 34 N 0.86 2.39 -0.08 5.38 3.76 0.47 0.72 115.29 128.78 1ndm s HIS 34 Ca -0.09 -0.34 0.02 0.00 -0.15 0.00 0.00 55.06 54.50 1ndm s HIS 34 Cb -0.15 -1.27 -0.02 0.00 1.11 0.00 0.00 32.58 32.24 1ndm s HIS 34 CO 0.00 0.37 -0.14 -1.58 -0.85 0.00 0.00 174.74 172.55 1ndm s TRP 35 N -1.16 2.74 0.08 1.40 0.52 -0.36 -1.11 118.94 121.05 1ndm s TRP 35 Ca 0.16 -0.35 0.08 0.00 0.02 0.00 0.00 56.10 56.01 1ndm s TRP 35 Cb -0.10 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.48 1ndm s TRP 35 CO 0.08 0.03 -0.22 0.71 0.02 0.00 0.00 176.95 177.57 1ndm s TYR 36 N -0.31 1.89 -0.12 -1.98 2.02 0.11 -0.26 117.35 118.70 1ndm s TYR 36 Ca 0.03 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.32 1ndm s TYR 36 Cb -0.13 -1.08 -0.02 0.00 -0.40 0.00 0.00 41.96 40.33 1ndm s TYR 36 CO 0.03 0.17 -0.09 -1.14 -1.57 0.00 0.00 175.55 172.95 1ndm s GLN 37 N -1.60 3.34 -0.08 -0.62 0.74 0.73 -1.42 119.66 120.75 1ndm s GLN 37 Ca 0.08 -0.61 -0.01 0.00 0.05 0.00 0.00 55.36 54.87 1ndm s GLN 37 Cb -0.10 -2.70 0.03 0.00 1.10 0.00 0.00 33.01 31.34 1ndm s GLN 37 CO 0.03 0.31 -0.02 -1.14 -0.55 0.00 0.00 175.29 173.92 1ndm s GLN 38 N 0.13 0.84 0.29 1.67 0.74 0.15 0.39 119.66 123.87 1ndm s GLN 38 Ca -0.04 0.00 0.04 0.00 0.05 0.00 0.00 55.36 55.41 1ndm s GLN 38 Cb -0.14 -1.08 -0.02 0.00 1.10 0.00 0.00 33.01 32.86 1ndm s GLN 38 CO 0.04 -0.26 0.44 0.15 -0.55 0.00 0.00 175.29 175.11 1ndm s LYS 39 N 1.76 3.36 0.55 1.67 -0.14 -1.26 -1.55 119.74 124.12 1ndm s LYS 39 Ca 0.03 -0.71 -0.22 0.00 -1.36 0.00 0.00 55.97 53.71 1ndm s LYS 39 Cb -0.13 -2.81 -0.05 0.00 -1.68 0.00 0.00 37.83 33.17 1ndm s LYS 39 CO -0.05 0.25 1.37 -1.13 -0.76 0.00 0.00 175.35 175.03 1ndm n SER 40 N -1.58 2.72 -3.89 2.83 3.41 -1.26 -2.44 113.62 113.41 1ndm n SER 40 Ca -0.06 0.97 -0.28 0.00 -0.26 0.00 0.00 58.87 59.25 1ndm n SER 40 Cb 0.57 -1.58 0.02 0.00 -0.26 0.00 0.00 64.21 62.96 1ndm n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ndm n HIS 41 N -1.07 -2.09 -3.58 7.33 -0.00 -1.26 -4.96 115.22 109.60 1ndm n HIS 41 Ca 0.11 0.87 -0.15 0.00 -0.00 0.00 0.00 57.72 58.54 1ndm n HIS 41 Cb 0.45 -3.99 -0.06 0.00 -0.00 0.00 0.00 29.99 26.40 1ndm n HIS 41 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1ndm s GLU 42 N -6.47 1.01 0.55 -1.40 2.02 -1.02 -5.16 118.70 108.22 1ndm s GLU 42 Ca 0.43 -0.13 -0.11 0.00 0.02 0.00 0.00 54.97 55.19 1ndm s GLU 42 Cb -0.22 0.46 -0.05 0.00 0.10 0.00 0.00 34.13 34.43 1ndm s GLU 42 CO 0.84 -0.35 0.94 -1.54 0.02 0.00 0.00 175.26 175.17 1ndm s SER 43 N -1.75 6.34 0.53 -0.19 1.04 -1.26 -4.57 113.70 113.83 1ndm s SER 43 Ca -0.07 1.31 -0.22 0.00 0.48 0.00 0.00 55.95 57.44 1ndm s SER 43 Cb -0.01 -2.41 -0.05 0.00 0.10 0.00 0.00 66.02 63.65 1ndm s SER 43 CO 0.01 -0.70 1.33 -2.84 0.98 0.00 0.00 173.24 172.02 1ndm s PRO 44 N -4.74 3.27 -0.15 4.02 0.02 -1.26 -4.62 135.00 131.54 1ndm s PRO 44 Ca 0.54 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.73 1ndm s PRO 44 Cb -0.11 -2.30 -0.01 0.00 0.02 0.00 0.00 34.50 32.11 1ndm s PRO 44 CO 0.45 -1.07 -0.15 0.50 -0.33 0.00 0.00 177.00 176.41 1ndm s ARG 45 N -2.85 3.26 0.02 5.54 3.52 0.16 -4.91 118.95 123.69 1ndm s ARG 45 Ca 0.70 -0.74 -0.30 0.00 -0.13 0.00 0.00 55.73 55.26 1ndm s ARG 45 Cb -0.39 -2.62 -0.06 0.00 -1.56 0.00 0.00 34.95 30.32 1ndm s ARG 45 CO 0.46 0.07 1.42 -1.17 -0.81 0.00 0.00 175.30 175.27 1ndm s LEU 46 N 0.68 4.33 -0.23 -0.88 2.96 -1.26 -0.20 118.68 124.08 1ndm s LEU 46 Ca -0.07 2.17 -0.05 0.00 -0.22 0.00 0.00 54.13 55.95 1ndm s LEU 46 Cb -0.16 -3.56 -0.13 0.00 0.50 0.00 0.00 46.19 42.84 1ndm s LEU 46 CO 0.02 -0.72 -0.26 0.18 -1.32 0.00 0.00 176.35 174.25 1ndm n LEU 47 N 5.20 2.33 -3.84 -0.68 4.77 0.64 -4.93 117.00 120.50 1ndm n LEU 47 Ca 0.13 0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 1ndm n LEU 47 Cb 0.43 -0.75 -0.13 0.00 -2.33 0.00 0.00 43.42 40.65 1ndm n LEU 47 CO 0.59 0.69 -0.23 -0.63 -1.33 0.00 0.00 177.39 176.48 1ndm s ILE 48 N -2.45 0.01 0.19 -0.08 -1.09 -1.19 -3.67 121.20 112.93 1ndm s ILE 48 Ca -0.32 -0.08 0.11 0.00 -2.23 0.00 0.00 60.65 58.14 1ndm s ILE 48 Cb 0.10 -0.20 -0.04 0.00 -1.58 0.00 0.00 42.46 40.74 1ndm s ILE 48 CO 0.47 -0.04 -0.23 -1.59 -1.23 0.00 0.00 174.94 172.32 1ndm s LYS 49 N -0.08 1.50 -1.20 2.79 -2.85 -0.44 -1.22 119.74 118.24 1ndm s LYS 49 Ca -0.02 -1.53 -0.23 0.00 -1.00 0.00 0.00 55.97 53.20 1ndm s LYS 49 Cb -0.02 -1.80 0.01 0.00 -2.06 0.00 0.00 37.83 33.96 1ndm s LYS 49 CO 0.00 0.39 0.71 0.66 0.10 0.00 0.00 175.35 177.21 1ndm n TYR 50 N 0.23 -1.71 0.00 1.78 4.01 -1.18 -1.29 117.16 119.00 1ndm n TYR 50 Ca -0.12 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 1ndm n TYR 50 Cb 0.56 -3.26 0.00 0.00 -0.31 0.00 0.00 39.34 36.34 1ndm n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ndm n ALA 51 N -4.48 0.00 -1.52 -0.72 0.00 0.22 -3.53 120.51 110.49 1ndm n ALA 51 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1ndm n ALA 51 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1ndm n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ndm n SER 52 N 0.00 0.00 -4.69 0.00 3.41 -1.19 -2.81 113.62 108.34 1ndm n SER 52 Ca 0.00 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.19 1ndm n SER 52 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1ndm n SER 52 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ndm s GLN 53 N 0.00 4.40 0.67 4.33 -0.21 -0.41 -4.69 119.66 123.75 1ndm s GLN 53 Ca 0.00 1.46 -0.11 0.00 0.02 0.00 0.00 55.36 56.73 1ndm s GLN 53 Cb 0.00 -3.55 -0.01 0.00 1.00 0.00 0.00 33.01 30.45 1ndm s GLN 53 CO 0.00 -0.36 1.05 -1.54 -2.12 0.00 0.00 175.29 172.32 1ndm s SER 54 N 1.20 5.68 -0.06 5.90 1.04 -1.26 -1.32 113.70 124.87 1ndm s SER 54 Ca 0.50 1.56 0.02 0.00 0.48 0.00 0.00 55.95 58.51 1ndm s SER 54 Cb -0.20 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.41 1ndm s SER 54 CO 0.19 -1.24 -0.11 -0.63 0.98 0.00 0.00 173.24 172.43 1ndm s ILE 55 N -3.07 3.36 0.17 -1.02 -1.09 -1.24 -4.82 121.20 113.48 1ndm s ILE 55 Ca 0.57 -0.61 -0.32 0.00 -2.23 0.00 0.00 60.65 58.07 1ndm s ILE 55 Cb -0.13 -2.35 -0.10 0.00 -1.58 0.00 0.00 42.46 38.30 1ndm s ILE 55 CO 0.54 0.59 1.57 -0.55 -1.23 0.00 0.00 174.94 175.86 1ndm s SER 56 N -0.72 6.58 0.00 3.58 0.15 -1.26 -2.30 113.70 119.73 1ndm s SER 56 Ca 0.11 2.63 0.00 0.00 0.70 0.00 0.00 55.95 59.39 1ndm s SER 56 Cb -0.11 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1ndm s SER 56 CO 0.01 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.23 1ndm n GLY 57 N 3.72 0.75 3.66 9.45 0.00 -1.26 -5.05 105.19 116.47 1ndm n GLY 57 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1ndm n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ndm s ILE 58 N -2.75 5.30 0.16 -0.61 -1.09 -0.97 -5.04 121.20 116.21 1ndm s ILE 58 Ca 0.00 0.36 -0.33 0.00 -2.23 0.00 0.00 60.65 58.45 1ndm s ILE 58 Cb 0.00 -3.58 -0.16 0.00 -1.58 0.00 0.00 42.46 37.14 1ndm s ILE 58 CO 0.00 0.31 1.17 -2.65 -1.23 0.00 0.00 174.94 172.54 1ndm n PRO 59 N 4.35 1.13 0.09 2.79 -0.02 -1.26 -4.80 135.00 137.27 1ndm n PRO 59 Ca -0.13 0.40 0.06 0.00 -2.02 0.00 0.00 63.50 61.81 1ndm n PRO 59 Cb 0.52 -1.91 0.32 0.00 -0.02 0.00 0.00 33.50 32.41 1ndm n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ndm n SER 60 N 2.04 0.30 0.28 2.55 3.41 -1.26 -2.04 113.62 118.91 1ndm n SER 60 Ca 0.15 0.63 0.18 0.00 -0.26 0.00 0.00 58.87 59.57 1ndm n SER 60 Cb 0.24 -0.67 0.74 0.00 -0.26 0.00 0.00 64.21 64.26 1ndm n SER 60 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1ndm h ARG 61 N 0.00 0.00 -6.31 4.33 0.11 -1.87 -3.42 114.38 107.22 1ndm h ARG 61 Ca 0.00 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.53 1ndm h ARG 61 Cb 0.03 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.07 1ndm h ARG 61 CO 0.00 0.01 0.10 -0.06 0.10 0.00 0.00 179.97 180.12 1ndm s PHE 62 N -3.73 3.79 -0.06 4.08 0.08 -0.86 -0.94 117.98 120.33 1ndm s PHE 62 Ca 0.00 1.43 -0.23 0.00 0.12 0.00 0.00 56.93 58.26 1ndm s PHE 62 Cb 0.10 -2.71 0.05 0.00 -0.57 0.00 0.00 43.02 39.88 1ndm s PHE 62 CO 0.53 0.41 0.52 -1.54 -0.10 0.00 0.00 175.22 175.04 1ndm s SER 63 N -0.55 -0.46 0.06 1.36 1.04 0.37 -4.98 113.70 110.53 1ndm s SER 63 Ca 0.35 0.52 0.08 0.00 0.48 0.00 0.00 55.95 57.38 1ndm s SER 63 Cb -0.21 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1ndm s SER 63 CO 0.22 -0.49 -0.22 -0.83 0.98 0.00 0.00 173.24 172.90 1ndm s GLY 64 N -1.04 1.21 0.32 7.32 0.00 -1.26 0.79 107.32 114.65 1ndm s GLY 64 Ca -0.11 -1.15 0.01 0.00 0.00 0.00 0.00 44.72 43.47 1ndm s GLY 64 CO 0.06 -1.10 0.36 -1.35 0.00 0.00 0.00 173.10 171.08 1ndm s SER 65 N -1.41 1.05 0.00 1.64 1.04 -0.56 -4.13 113.70 111.32 1ndm s SER 65 Ca 0.08 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 54.97 1ndm s SER 65 Cb -0.09 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1ndm s SER 65 CO 0.03 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.71 1ndm n GLY 66 N -0.54 2.39 3.53 7.32 0.00 -1.26 -1.67 105.19 114.96 1ndm n GLY 66 Ca 0.03 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 1ndm n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ndm s SER 67 N 0.00 -0.52 0.00 1.61 1.04 -0.99 -4.91 113.70 109.93 1ndm s SER 67 Ca 0.00 0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1ndm s SER 67 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1ndm s SER 67 CO 0.00 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1ndm n GLY 68 N 0.63 1.94 0.00 7.32 0.00 -0.13 -3.62 105.19 111.32 1ndm n GLY 68 Ca -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1ndm n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ndm n THR 69 N 0.00 0.00 -4.03 2.61 -2.24 -1.26 -0.81 114.28 108.56 1ndm n THR 69 Ca 0.00 -0.47 -0.34 0.00 -2.27 0.00 0.00 64.05 60.98 1ndm n THR 69 Cb 0.00 0.99 -0.15 0.00 -2.10 0.00 0.00 70.33 69.07 1ndm n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ndm s ASP 70 N -0.98 3.81 0.17 3.42 1.01 -1.24 -1.11 116.67 121.75 1ndm s ASP 70 Ca 0.00 -0.71 0.08 0.00 0.71 0.00 0.00 52.55 52.63 1ndm s ASP 70 Cb 0.00 -1.59 -0.04 0.00 1.01 0.00 0.00 42.92 42.30 1ndm s ASP 70 CO 0.00 -0.05 -0.17 -0.36 0.21 0.00 0.00 175.17 174.79 1ndm s PHE 71 N 1.33 1.79 -0.06 4.23 0.40 -0.18 -2.34 117.98 123.14 1ndm s PHE 71 Ca 0.03 -0.49 -0.03 0.00 -0.60 0.00 0.00 56.93 55.85 1ndm s PHE 71 Cb -0.15 -0.88 0.04 0.00 0.51 0.00 0.00 43.02 42.54 1ndm s PHE 71 CO -0.08 0.33 0.14 0.99 0.70 0.00 0.00 175.22 177.30 1ndm s THR 72 N -2.20 -0.05 -0.23 0.64 2.01 -0.67 -2.18 115.64 112.96 1ndm s THR 72 Ca 0.17 0.18 -0.08 0.00 0.31 0.00 0.00 61.69 62.27 1ndm s THR 72 Cb -0.05 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 1ndm s THR 72 CO 0.07 0.07 0.08 -0.22 -0.69 0.00 0.00 174.62 173.93 1ndm s LEU 73 N 1.15 3.64 -0.11 4.42 2.96 -0.40 -1.50 118.68 128.84 1ndm s LEU 73 Ca -0.09 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1ndm s LEU 73 Cb -0.11 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1ndm s LEU 73 CO -0.06 0.03 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.49 1ndm s SER 74 N 1.23 4.58 -0.29 3.68 0.01 0.24 -0.45 113.70 122.70 1ndm s SER 74 Ca 0.05 -0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.23 1ndm s SER 74 Cb -0.14 -1.45 0.07 0.00 0.21 0.00 0.00 66.02 64.70 1ndm s SER 74 CO 0.04 0.26 -0.05 -0.63 0.41 0.00 0.00 173.24 173.27 1ndm s ILE 75 N -0.20 2.24 0.05 1.44 -1.09 -0.68 -0.48 121.20 122.48 1ndm s ILE 75 Ca 0.02 -1.87 -0.27 0.00 -2.23 0.00 0.00 60.65 56.31 1ndm s ILE 75 Cb -0.13 -2.44 -0.05 0.00 -1.58 0.00 0.00 42.46 38.26 1ndm s ILE 75 CO 0.03 -0.23 0.83 0.21 -1.23 0.00 0.00 174.94 174.55 1ndm s ASN 76 N 1.04 7.29 -0.67 3.58 3.84 -0.12 -2.15 114.94 127.75 1ndm s ASN 76 Ca -0.02 1.54 -0.09 0.00 0.21 0.00 0.00 52.86 54.50 1ndm s ASN 76 Cb -0.20 -2.51 0.01 0.00 -0.55 0.00 0.00 41.25 38.01 1ndm s ASN 76 CO -0.06 -0.05 0.65 -1.20 -2.79 0.00 0.00 177.10 173.65 1ndm n SER 77 N 3.00 -6.50 -4.70 -4.21 7.64 -1.24 -4.80 113.62 102.80 1ndm n SER 77 Ca -0.00 -0.28 -0.44 0.00 1.01 0.00 0.00 58.87 59.17 1ndm n SER 77 Cb 0.50 -3.56 -0.02 0.00 -1.01 0.00 0.00 64.21 60.12 1ndm n SER 77 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ndm n VAL 78 N -1.56 0.90 -4.26 0.44 0.31 0.80 -4.64 118.33 110.32 1ndm n VAL 78 Ca -0.10 -0.22 -0.23 0.00 -0.01 0.00 0.00 64.34 63.77 1ndm n VAL 78 Cb 0.59 -1.69 -0.07 0.00 -0.91 0.00 0.00 33.84 31.76 1ndm n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ndm s GLU 79 N -0.32 2.37 0.31 5.55 2.02 -1.26 -1.07 118.70 126.29 1ndm s GLU 79 Ca 0.67 -1.34 0.07 0.00 0.02 0.00 0.00 54.97 54.40 1ndm s GLU 79 Cb -0.59 -2.23 0.86 0.00 0.10 0.00 0.00 34.13 32.28 1ndm s GLU 79 CO 0.48 0.38 1.65 0.00 0.02 0.00 0.00 175.26 177.79 1ndm h THR 80 N 1.93 0.31 -0.03 3.63 1.03 -1.99 0.74 112.91 118.53 1ndm h THR 80 Ca -0.45 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 65.86 1ndm h THR 80 Cb 1.24 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.35 1ndm h THR 80 CO 0.60 0.05 0.00 -1.84 -0.01 0.00 0.00 175.52 174.32 1ndm n GLU 81 N -5.15 1.11 0.00 0.00 0.00 -1.26 -3.17 120.64 112.17 1ndm n GLU 81 Ca 0.26 -0.17 0.14 0.00 0.00 0.00 0.00 57.16 57.39 1ndm n GLU 81 Cb 0.80 -1.26 0.51 0.00 0.00 0.00 0.00 31.44 31.49 1ndm n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1ndm n ASP 82 N -0.58 0.75 -4.73 -1.84 8.00 0.25 -4.87 116.55 113.53 1ndm n ASP 82 Ca 0.12 -0.75 -0.41 0.00 0.71 0.00 0.00 54.79 54.46 1ndm n ASP 82 Cb 0.09 0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 1ndm n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ndm s PHE 83 N -2.46 3.84 -5.00 1.24 0.40 -1.19 -4.90 117.98 109.90 1ndm s PHE 83 Ca 0.27 1.81 0.00 0.00 -0.60 0.00 0.00 56.93 58.41 1ndm s PHE 83 Cb 0.20 -3.04 0.00 0.00 0.51 0.00 0.00 43.02 40.69 1ndm s PHE 83 CO 0.49 0.24 0.00 0.41 0.70 0.00 0.00 175.22 177.06 1ndm n GLY 84 N 2.15 -0.08 3.83 4.36 0.00 -0.70 -4.93 105.19 109.82 1ndm n GLY 84 Ca 0.02 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 1ndm n GLY 84 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ndm s MET 85 N -2.00 3.68 -0.12 1.61 -1.94 -0.60 -0.27 119.30 119.66 1ndm s MET 85 Ca 0.00 -0.16 0.02 0.00 -1.71 0.00 0.00 55.69 53.85 1ndm s MET 85 Cb 0.00 -3.26 0.01 0.00 2.01 0.00 0.00 34.83 33.59 1ndm s MET 85 CO 0.00 0.63 -0.20 0.71 -0.01 0.00 0.00 175.02 176.15 1ndm s TYR 86 N -0.58 2.42 0.12 -0.03 1.51 -0.36 0.33 117.35 120.75 1ndm s TYR 86 Ca 0.13 -1.16 0.09 0.00 -1.01 0.00 0.00 57.07 55.11 1ndm s TYR 86 Cb -0.12 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 1ndm s TYR 86 CO 0.02 -0.54 -0.22 -0.06 -1.11 0.00 0.00 175.55 173.64 1ndm s PHE 87 N 0.80 1.92 0.17 2.71 0.40 -0.51 -1.15 117.98 122.31 1ndm s PHE 87 Ca -0.09 -0.41 0.10 0.00 -0.60 0.00 0.00 56.93 55.93 1ndm s PHE 87 Cb -0.16 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.30 1ndm s PHE 87 CO -0.00 0.26 -0.18 0.00 0.70 0.00 0.00 175.22 175.99 1ndm s GLN 89 N -2.54 0.48 0.02 0.00 0.74 -0.26 -0.61 119.66 117.49 1ndm s GLN 89 Ca 0.21 0.21 0.03 0.00 0.05 0.00 0.00 55.36 55.86 1ndm s GLN 89 Cb -0.09 0.23 -0.04 0.00 1.10 0.00 0.00 33.01 34.21 1ndm s GLN 89 CO 0.11 -0.09 -0.04 1.14 -0.55 0.00 0.00 175.29 175.86 1ndm s GLN 90 N -0.38 2.60 -0.03 1.67 1.03 -0.72 -0.40 119.66 123.43 1ndm s GLN 90 Ca -0.05 -0.72 0.05 0.00 0.04 0.00 0.00 55.36 54.67 1ndm s GLN 90 Cb -0.03 -2.55 0.07 0.00 0.03 0.00 0.00 33.01 30.53 1ndm s GLN 90 CO 0.02 0.59 0.94 -1.13 -2.54 0.00 0.00 175.29 173.17 1ndm n SER 91 N 1.30 1.46 -0.18 12.60 3.41 -0.94 -3.14 113.62 128.13 1ndm n SER 91 Ca -0.14 -2.08 -0.10 0.00 -0.26 0.00 0.00 58.87 56.29 1ndm n SER 91 Cb 0.52 -0.13 0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1ndm n SER 91 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1ndm h ASN 92 N 0.00 0.93 -4.81 4.04 -0.73 -1.87 -3.45 115.58 109.68 1ndm h ASN 92 Ca 0.00 -0.33 -0.24 0.00 1.87 0.00 0.00 56.30 57.60 1ndm h ASN 92 Cb 0.83 -0.25 -0.20 0.00 0.27 0.00 0.00 38.32 38.97 1ndm h ASN 92 CO 0.00 1.04 -0.72 -0.44 -0.37 0.00 0.00 177.43 176.94 1ndm s SER 93 N -6.49 0.75 0.03 1.15 0.01 -1.26 -5.14 113.70 102.75 1ndm s SER 93 Ca -0.12 -0.61 -0.19 0.00 1.31 0.00 0.00 55.95 56.34 1ndm s SER 93 Cb 0.12 0.06 -0.06 0.00 0.21 0.00 0.00 66.02 66.35 1ndm s SER 93 CO 0.84 -0.27 0.56 0.86 0.41 0.00 0.00 173.24 175.64 1ndm s TRP 94 N -1.74 3.74 0.36 2.43 -0.11 -1.26 -3.42 118.94 118.94 1ndm s TRP 94 Ca -0.08 1.20 -0.25 0.00 1.22 0.00 0.00 56.10 58.19 1ndm s TRP 94 Cb -0.08 -2.52 -0.10 0.00 -1.50 0.00 0.00 33.47 29.27 1ndm s TRP 94 CO -0.01 0.49 0.97 -1.25 -4.62 0.00 0.00 176.95 172.53 1ndm s PRO 95 N -0.69 4.43 0.49 5.86 0.04 -1.26 -5.01 135.00 138.87 1ndm s PRO 95 Ca 0.29 1.35 -0.24 0.00 0.04 0.00 0.00 61.00 62.44 1ndm s PRO 95 Cb -0.19 -2.65 -0.07 0.00 0.04 0.00 0.00 34.50 31.64 1ndm s PRO 95 CO 0.17 0.13 1.38 0.71 0.04 0.00 0.00 177.00 179.43 1ndm s TYR 96 N -1.71 2.42 0.09 0.56 4.12 -1.22 -4.77 117.35 116.83 1ndm s TYR 96 Ca 0.54 1.33 0.02 0.00 0.02 0.00 0.00 57.07 58.98 1ndm s TYR 96 Cb -0.18 -3.83 -0.04 0.00 -1.52 0.00 0.00 41.96 36.39 1ndm s TYR 96 CO 0.23 -2.81 -0.08 0.95 0.02 0.00 0.00 175.55 173.86 1ndm s THR 97 N -1.27 0.75 0.23 -0.71 -4.23 -1.19 -4.99 115.64 104.23 1ndm s THR 97 Ca 0.66 -1.70 0.09 0.00 -1.18 0.00 0.00 61.69 59.55 1ndm s THR 97 Cb -0.41 -1.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 1ndm s THR 97 CO 0.51 -0.69 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.52 1ndm s PHE 98 N -2.88 2.72 0.64 3.99 0.40 -1.26 -1.75 117.98 119.84 1ndm s PHE 98 Ca 0.06 -0.20 -0.09 0.00 -0.60 0.00 0.00 56.93 56.10 1ndm s PHE 98 Cb 0.00 -1.26 0.00 0.00 0.51 0.00 0.00 43.02 42.28 1ndm s PHE 98 CO -0.02 0.57 1.00 0.20 0.70 0.00 0.00 175.22 177.67 1ndm s GLY 99 N -3.34 1.61 0.06 4.36 0.00 0.22 -4.52 107.32 105.71 1ndm s GLY 99 Ca 0.29 -0.47 0.16 0.00 0.00 0.00 0.00 44.72 44.70 1ndm s GLY 99 CO 0.19 -0.15 1.50 0.61 0.00 0.00 0.00 173.10 175.24 1ndm n GLY 100 N -2.77 -1.03 0.00 0.20 0.00 -1.25 -4.70 105.19 95.63 1ndm n GLY 100 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ndm n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ndm n GLY 101 N -0.12 0.49 3.00 -0.02 0.00 -1.26 -5.04 105.19 102.25 1ndm n GLY 101 Ca 0.03 -1.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.15 1ndm n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ndm s THR 102 N -2.81 1.12 -0.16 2.61 2.01 -0.30 -4.62 115.64 113.49 1ndm s THR 102 Ca 0.00 -0.44 -0.23 0.00 0.31 0.00 0.00 61.69 61.32 1ndm s THR 102 Cb 0.00 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 1ndm s THR 102 CO 0.00 0.36 0.74 -0.75 -0.69 0.00 0.00 174.62 174.28 1ndm s LYS 103 N 0.88 4.29 -0.41 4.92 2.47 0.15 -1.22 119.74 130.82 1ndm s LYS 103 Ca -0.10 0.85 -0.11 0.00 -1.56 0.00 0.00 55.97 55.05 1ndm s LYS 103 Cb -0.15 -3.55 0.05 0.00 -1.46 0.00 0.00 37.83 32.72 1ndm s LYS 103 CO 0.01 -0.22 0.25 -1.17 0.16 0.00 0.00 175.35 174.38 1ndm s LEU 104 N 1.82 5.02 0.29 5.43 0.20 0.62 0.15 118.68 132.20 1ndm s LEU 104 Ca 0.35 -1.25 0.11 0.00 0.69 0.00 0.00 54.13 54.03 1ndm s LEU 104 Cb -0.16 -2.03 -0.05 0.00 -0.43 0.00 0.00 46.19 43.52 1ndm s LEU 104 CO 0.13 -0.48 -0.12 -1.83 -0.29 0.00 0.00 176.35 173.76 1ndm s GLU 105 N 1.51 1.88 -0.12 1.98 4.04 -0.43 -1.73 118.70 125.83 1ndm s GLU 105 Ca 0.03 -1.71 -0.29 0.00 0.04 0.00 0.00 54.97 53.03 1ndm s GLU 105 Cb -0.21 -1.87 -0.01 0.00 0.02 0.00 0.00 34.13 32.06 1ndm s GLU 105 CO 0.05 0.29 1.07 0.42 -1.84 0.00 0.00 175.26 175.25 1ndm s ILE 106 N -2.48 4.62 0.29 1.83 1.01 -1.26 -1.19 121.20 124.01 1ndm s ILE 106 Ca 0.31 1.91 -0.29 0.00 0.00 0.00 0.00 60.65 62.59 1ndm s ILE 106 Cb -0.04 -4.23 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 1ndm s ILE 106 CO 0.17 -0.04 1.05 -0.75 0.00 0.00 0.00 174.94 175.37 1ndm s LYS 107 N 2.38 4.62 0.33 2.79 2.47 -0.14 -4.79 119.74 127.39 1ndm s LYS 107 Ca 0.50 1.67 -0.10 0.00 -1.56 0.00 0.00 55.97 56.48 1ndm s LYS 107 Cb -0.19 -3.10 0.02 0.00 -1.46 0.00 0.00 37.83 33.09 1ndm s LYS 107 CO 0.16 0.24 0.57 -0.98 0.16 0.00 0.00 175.35 175.50 1ndm s ARG 108 N -1.56 1.90 0.45 4.03 1.70 -1.26 -4.80 118.95 119.40 1ndm s ARG 108 Ca 0.46 -1.50 -0.23 0.00 -0.47 0.00 0.00 55.73 53.99 1ndm s ARG 108 Cb -0.29 0.51 -0.08 0.00 -0.57 0.00 0.00 34.95 34.53 1ndm s ARG 108 CO 0.36 -0.82 1.15 0.00 -1.08 0.00 0.00 175.30 174.91 1ndm s ALA 109 N -3.15 2.99 0.61 7.88 0.00 -1.26 -4.97 121.76 123.86 1ndm s ALA 109 Ca 0.23 0.91 -0.18 0.00 0.00 0.00 0.00 51.96 52.91 1ndm s ALA 109 Cb -0.02 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1ndm s ALA 109 CO 0.14 -0.60 1.22 -0.51 0.00 0.00 0.00 175.76 176.02 1ndm s ASP 110 N -1.38 5.05 -0.11 0.00 1.01 -1.26 -4.77 116.67 115.21 1ndm s ASP 110 Ca 0.63 2.42 -0.08 0.00 0.71 0.00 0.00 52.55 56.23 1ndm s ASP 110 Cb -0.28 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.09 1ndm s ASP 110 CO 0.34 -1.69 0.27 0.00 0.21 0.00 0.00 175.17 174.30 1ndm s ALA 111 N -1.58 -0.65 0.37 5.23 0.00 0.12 -4.88 121.76 120.37 1ndm s ALA 111 Ca 0.78 0.92 -0.26 0.00 0.00 0.00 0.00 51.96 53.41 1ndm s ALA 111 Cb -0.31 -0.56 -0.09 0.00 0.00 0.00 0.00 23.12 22.16 1ndm s ALA 111 CO 0.35 -0.17 1.11 0.00 0.00 0.00 0.00 175.76 177.05 1ndm s ALA 112 N 0.71 3.18 0.52 0.00 0.00 -1.26 -1.61 121.76 123.30 1ndm s ALA 112 Ca -0.05 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 52.58 1ndm s ALA 112 Cb -0.06 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 1ndm s ALA 112 CO -0.04 -0.34 1.05 -1.25 0.00 0.00 0.00 175.76 175.18 1ndm s PRO 113 N -2.19 3.64 -0.40 0.00 0.04 -1.26 -4.59 135.00 130.25 1ndm s PRO 113 Ca 0.55 1.36 -0.16 0.00 0.04 0.00 0.00 61.00 62.79 1ndm s PRO 113 Cb -0.28 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.20 1ndm s PRO 113 CO 0.35 -0.57 0.36 0.99 0.04 0.00 0.00 177.00 178.17 1ndm s THR 114 N -2.05 5.18 -0.16 1.26 2.01 -0.43 -4.84 115.64 116.62 1ndm s THR 114 Ca 0.67 -0.40 -0.10 0.00 0.31 0.00 0.00 61.69 62.17 1ndm s THR 114 Cb -0.17 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 1ndm s THR 114 CO 0.24 -0.29 0.18 -0.69 -0.69 0.00 0.00 174.62 173.36 1ndm s VAL 115 N 1.91 5.40 -0.02 3.82 1.01 -1.25 -1.05 120.40 130.21 1ndm s VAL 115 Ca 0.09 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1ndm s VAL 115 Cb -0.18 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1ndm s VAL 115 CO 0.12 0.48 -0.04 -0.44 0.00 0.00 0.00 175.10 175.22 1ndm s SER 116 N -0.03 0.68 -0.02 3.32 0.01 0.13 -4.98 113.70 112.80 1ndm s SER 116 Ca 0.12 -0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.34 1ndm s SER 116 Cb -0.12 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.85 1ndm s SER 116 CO 0.01 -0.01 -0.16 -0.51 0.41 0.00 0.00 173.24 172.98 1ndm s ILE 117 N 0.48 2.95 -0.05 1.44 2.07 -1.26 -0.74 121.20 126.09 1ndm s ILE 117 Ca -0.06 -0.86 0.02 0.00 -1.41 0.00 0.00 60.65 58.35 1ndm s ILE 117 Cb -0.09 -2.17 0.01 0.00 0.13 0.00 0.00 42.46 40.34 1ndm s ILE 117 CO -0.00 0.52 -0.11 -0.36 -1.91 0.00 0.00 174.94 173.08 1ndm s PHE 118 N -0.78 1.23 0.71 3.50 0.40 0.13 -5.00 117.98 118.17 1ndm s PHE 118 Ca 0.12 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.95 1ndm s PHE 118 Cb -0.11 -0.90 0.02 0.00 0.51 0.00 0.00 43.02 42.54 1ndm s PHE 118 CO 0.02 -0.20 1.10 -2.14 0.70 0.00 0.00 175.22 174.70 1ndm s PRO 119 N 0.48 2.79 0.30 0.24 0.02 -1.26 -1.43 135.00 136.14 1ndm s PRO 119 Ca -0.09 0.43 -0.29 0.00 0.02 0.00 0.00 61.00 61.06 1ndm s PRO 119 Cb -0.13 -2.02 -0.13 0.00 0.02 0.00 0.00 34.50 32.25 1ndm s PRO 119 CO 0.02 -1.08 1.36 -2.30 -0.33 0.00 0.00 177.00 174.68 1ndm n PRO 120 N -3.03 2.16 -1.53 5.54 -0.02 -1.16 -4.82 135.00 132.13 1ndm n PRO 120 Ca 0.07 0.76 -0.31 0.00 -2.02 0.00 0.00 63.50 62.01 1ndm n PRO 120 Cb 0.57 -2.39 0.07 0.00 -0.02 0.00 0.00 33.50 31.74 1ndm n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ndm s SER 121 N -0.02 4.94 0.23 2.55 1.04 -1.26 -4.87 113.70 116.30 1ndm s SER 121 Ca 0.61 1.51 -0.07 0.00 0.48 0.00 0.00 55.95 58.48 1ndm s SER 121 Cb -0.59 -2.32 0.20 0.00 0.10 0.00 0.00 66.02 63.41 1ndm s SER 121 CO 0.57 -1.71 1.85 0.28 0.98 0.00 0.00 173.24 175.20 1ndm h SER 122 N -0.91 1.10 0.14 7.02 0.02 -1.99 -1.68 113.55 117.25 1ndm h SER 122 Ca -0.45 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.39 1ndm h SER 122 Cb 1.23 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1ndm h SER 122 CO 0.57 0.88 -0.07 -0.08 -1.14 0.00 0.00 176.83 176.99 1ndm h GLU 123 N 1.23 -0.18 -0.33 3.45 4.81 -1.99 -1.28 114.58 120.29 1ndm h GLU 123 Ca 0.31 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.57 1ndm h GLU 123 Cb 0.03 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1ndm h GLU 123 CO -0.05 -0.07 0.18 0.37 -0.73 0.00 0.00 179.01 178.70 1ndm h GLN 124 N -0.25 0.35 -0.97 1.92 4.15 -1.83 -1.71 115.11 116.78 1ndm h GLN 124 Ca -0.02 -0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.50 1ndm h GLN 124 Cb 0.19 -0.08 -0.08 0.00 0.21 0.00 0.00 27.48 27.72 1ndm h GLN 124 CO 0.03 0.23 0.59 -0.07 -1.93 0.00 0.00 178.83 177.69 1ndm h LEU 125 N 0.37 0.86 -2.23 -2.39 3.38 -1.19 0.14 115.31 114.25 1ndm h LEU 125 Ca 0.13 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.21 1ndm h LEU 125 Cb 0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1ndm h LEU 125 CO -0.08 0.45 0.21 0.74 0.09 0.00 0.00 178.44 179.86 1ndm h THR 126 N 0.93 0.43 -0.68 0.22 2.02 -0.28 -1.16 112.91 114.40 1ndm h THR 126 Ca 0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.66 1ndm h THR 126 Cb 0.49 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1ndm h THR 126 CO -0.27 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.08 1ndm n SER 127 N -3.73 3.84 0.00 4.18 3.41 0.48 -4.95 113.62 116.85 1ndm n SER 127 Ca 0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1ndm n SER 127 Cb 0.34 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1ndm n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ndm n GLY 128 N 1.55 0.67 3.61 5.00 0.00 -0.44 -5.03 105.19 110.55 1ndm n GLY 128 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 1ndm n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ndm s GLY 129 N -1.95 1.71 -0.25 -0.02 0.00 -1.06 -1.14 107.32 104.60 1ndm s GLY 129 Ca 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 44.72 43.19 1ndm s GLY 129 CO 0.00 -1.55 0.40 0.00 0.00 0.00 0.00 173.10 171.95 1ndm s ALA 130 N -1.90 -1.20 -0.11 3.20 0.00 0.25 -2.94 121.76 119.05 1ndm s ALA 130 Ca 0.27 0.88 0.03 0.00 0.00 0.00 0.00 51.96 53.14 1ndm s ALA 130 Cb -0.08 -1.77 -0.00 0.00 0.00 0.00 0.00 23.12 21.26 1ndm s ALA 130 CO 0.17 -1.34 -0.21 -1.12 0.00 0.00 0.00 175.76 173.26 1ndm s SER 131 N 2.57 3.30 -0.30 0.00 0.01 -1.26 -0.18 113.70 117.84 1ndm s SER 131 Ca 0.13 -0.51 -0.10 0.00 1.31 0.00 0.00 55.95 56.78 1ndm s SER 131 Cb -0.15 -1.46 -0.01 0.00 0.21 0.00 0.00 66.02 64.61 1ndm s SER 131 CO -0.18 0.15 0.15 -0.69 0.41 0.00 0.00 173.24 173.08 1ndm s VAL 132 N 0.39 4.69 -0.13 3.43 1.01 0.25 -3.01 120.40 127.03 1ndm s VAL 132 Ca -0.16 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 1ndm s VAL 132 Cb -0.17 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1ndm s VAL 132 CO 0.07 0.10 0.10 -0.69 0.00 0.00 0.00 175.10 174.69 1ndm s VAL 133 N 1.64 5.17 -0.11 2.92 1.01 -0.52 -0.94 120.40 129.57 1ndm s VAL 133 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1ndm s VAL 133 Cb -0.17 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.97 1ndm s VAL 133 CO 0.07 0.57 -0.10 0.00 0.00 0.00 0.00 175.10 175.64 1ndm s PHE 135 N 1.40 3.11 -0.33 0.00 0.08 0.08 -0.66 117.98 121.66 1ndm s PHE 135 Ca -0.00 -0.13 0.03 0.00 0.12 0.00 0.00 56.93 56.94 1ndm s PHE 135 Cb -0.13 -1.98 0.10 0.00 -0.57 0.00 0.00 43.02 40.44 1ndm s PHE 135 CO -0.05 0.07 0.07 -0.51 -0.10 0.00 0.00 175.22 174.70 1ndm s LEU 136 N 0.24 4.03 0.19 -0.37 1.02 -0.07 -0.69 118.68 123.03 1ndm s LEU 136 Ca -0.00 -2.02 0.06 0.00 0.02 0.00 0.00 54.13 52.19 1ndm s LEU 136 Cb -0.13 -1.41 -0.04 0.00 0.02 0.00 0.00 46.19 44.63 1ndm s LEU 136 CO 0.02 -0.39 0.09 0.20 0.02 0.00 0.00 176.35 176.29 1ndm s ASN 137 N 1.09 5.20 -1.27 2.29 0.01 -0.21 0.06 114.94 122.11 1ndm s ASN 137 Ca 0.11 -0.28 -0.08 0.00 -0.71 0.00 0.00 52.86 51.90 1ndm s ASN 137 Cb -0.19 -1.25 -0.01 0.00 0.41 0.00 0.00 41.25 40.22 1ndm s ASN 137 CO -0.13 0.05 0.64 0.59 -1.51 0.00 0.00 177.10 176.75 1ndm n ASN 138 N -0.44 -2.55 -4.68 -1.22 4.13 -0.85 -1.31 115.26 108.33 1ndm n ASN 138 Ca -0.09 -0.95 -0.24 0.00 1.68 0.00 0.00 54.58 54.98 1ndm n ASN 138 Cb 0.56 -3.50 -0.08 0.00 -1.54 0.00 0.00 39.78 35.22 1ndm n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1ndm s PHE 139 N -3.69 2.60 -0.27 3.10 -0.71 0.02 -4.67 117.98 114.37 1ndm s PHE 139 Ca 0.19 -0.47 -0.23 0.00 -1.04 0.00 0.00 56.93 55.39 1ndm s PHE 139 Cb -0.06 -1.66 0.07 0.00 -1.21 0.00 0.00 43.02 40.16 1ndm s PHE 139 CO 0.85 0.37 0.71 -0.47 -1.34 0.00 0.00 175.22 175.34 1ndm s TYR 140 N -2.52 -0.85 0.90 3.49 6.14 -0.63 -0.81 117.35 123.07 1ndm s TYR 140 Ca 0.37 1.96 -0.15 0.00 0.64 0.00 0.00 57.07 59.89 1ndm s TYR 140 Cb 0.01 0.35 0.22 0.00 0.42 0.00 0.00 41.96 42.96 1ndm s TYR 140 CO 0.21 -0.41 0.85 -0.35 0.64 0.00 0.00 175.55 176.49 1ndm n PRO 141 N 3.08 -2.37 0.20 4.97 -0.04 -1.26 0.16 135.00 139.73 1ndm n PRO 141 Ca -0.15 -1.35 0.07 0.00 -0.04 0.00 0.00 63.50 62.02 1ndm n PRO 141 Cb 0.56 -1.20 0.41 0.00 -0.04 0.00 0.00 33.50 33.23 1ndm n PRO 141 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1ndm h LYS 142 N 0.00 0.00 -6.51 0.54 3.64 -1.98 -3.44 116.57 108.81 1ndm h LYS 142 Ca -0.31 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.54 1ndm h LYS 142 Cb 0.94 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.79 1ndm h LYS 142 CO 0.21 0.32 0.98 -0.51 -2.27 0.00 0.00 179.45 178.18 1ndm s ASP 143 N -6.43 6.56 -0.10 4.20 1.01 -1.26 -4.98 116.67 115.68 1ndm s ASP 143 Ca -0.01 2.57 -0.19 0.00 0.71 0.00 0.00 52.55 55.63 1ndm s ASP 143 Cb 0.12 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.52 1ndm s ASP 143 CO 0.67 -0.89 0.48 -0.51 0.21 0.00 0.00 175.17 175.13 1ndm s ILE 144 N 2.18 0.02 -0.28 0.77 2.07 -1.26 -4.63 121.20 120.07 1ndm s ILE 144 Ca 0.74 -0.15 -0.02 0.00 -1.41 0.00 0.00 60.65 59.81 1ndm s ILE 144 Cb -0.42 -0.73 0.03 0.00 0.13 0.00 0.00 42.46 41.47 1ndm s ILE 144 CO 0.33 -0.08 -0.02 0.21 -1.91 0.00 0.00 174.94 173.47 1ndm s ASN 145 N -0.55 4.67 -0.13 4.50 3.84 -0.58 -5.01 114.94 121.68 1ndm s ASN 145 Ca -0.07 -1.03 0.00 0.00 0.21 0.00 0.00 52.86 51.97 1ndm s ASN 145 Cb -0.03 -1.71 -0.01 0.00 -0.55 0.00 0.00 41.25 38.94 1ndm s ASN 145 CO 0.04 -0.20 -0.14 0.54 -2.79 0.00 0.00 177.10 174.55 1ndm s VAL 146 N 1.31 2.90 -0.00 -5.21 0.11 -1.26 0.08 120.40 118.34 1ndm s VAL 146 Ca -0.02 -0.71 0.06 0.00 -2.93 0.00 0.00 61.98 58.38 1ndm s VAL 146 Cb -0.18 -2.21 -0.02 0.00 -1.53 0.00 0.00 36.38 32.44 1ndm s VAL 146 CO -0.02 0.53 -0.20 -0.75 -3.33 0.00 0.00 175.10 171.33 1ndm s LYS 147 N 0.42 1.56 -0.12 1.54 2.20 0.41 -4.96 119.74 120.80 1ndm s LYS 147 Ca -0.11 -0.75 -0.03 0.00 -0.36 0.00 0.00 55.97 54.73 1ndm s LYS 147 Cb -0.16 -1.53 -0.03 0.00 -1.51 0.00 0.00 37.83 34.59 1ndm s LYS 147 CO 0.05 0.42 -0.02 -1.58 -0.36 0.00 0.00 175.35 173.86 1ndm s TRP 148 N -0.53 3.08 -0.05 4.03 0.52 -1.26 0.22 118.94 124.95 1ndm s TRP 148 Ca 0.08 -0.04 0.02 0.00 0.02 0.00 0.00 56.10 56.18 1ndm s TRP 148 Cb -0.08 -1.87 0.01 0.00 -1.15 0.00 0.00 33.47 30.39 1ndm s TRP 148 CO -0.00 0.22 -0.10 0.15 0.02 0.00 0.00 176.95 177.24 1ndm s LYS 149 N -0.28 1.28 -0.24 4.98 1.02 -0.43 -0.96 119.74 125.11 1ndm s LYS 149 Ca 0.05 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.73 1ndm s LYS 149 Cb -0.12 -1.13 0.04 0.00 -0.52 0.00 0.00 37.83 36.09 1ndm s LYS 149 CO 0.02 0.03 -0.09 0.42 -0.92 0.00 0.00 175.35 174.81 1ndm s ILE 150 N 0.57 2.53 -1.40 2.17 1.01 0.83 -0.34 121.20 126.57 1ndm s ILE 150 Ca -0.10 -1.22 -0.05 0.00 0.00 0.00 0.00 60.65 59.27 1ndm s ILE 150 Cb -0.13 -2.32 0.03 0.00 0.01 0.00 0.00 42.46 40.04 1ndm s ILE 150 CO 0.02 0.16 0.75 0.47 0.00 0.00 0.00 174.94 176.34 1ndm n ASP 151 N 4.59 -2.19 0.00 3.58 8.00 -0.48 -1.26 116.55 128.78 1ndm n ASP 151 Ca -0.16 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1ndm n ASP 151 Cb 0.46 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.73 1ndm n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ndm n GLY 152 N -1.66 2.33 3.74 0.44 0.00 -1.26 -4.97 105.19 103.80 1ndm n GLY 152 Ca -0.19 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1ndm n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ndm s SER 153 N 0.03 7.23 0.17 1.61 0.01 -0.39 -4.95 113.70 117.41 1ndm s SER 153 Ca 0.00 2.11 -0.30 0.00 1.31 0.00 0.00 55.95 59.07 1ndm s SER 153 Cb 0.00 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.55 1ndm s SER 153 CO 0.00 -0.25 1.05 -0.70 0.41 0.00 0.00 173.24 173.75 1ndm s GLU 154 N -0.33 4.64 -0.19 12.44 2.12 -1.26 -0.12 118.70 136.00 1ndm s GLU 154 Ca 0.50 1.64 -0.00 0.00 0.36 0.00 0.00 54.97 57.47 1ndm s GLU 154 Cb -0.30 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 30.81 1ndm s GLU 154 CO 0.35 0.15 -0.16 0.50 -0.54 0.00 0.00 175.26 175.57 1ndm s ARG 155 N -0.41 3.08 -0.26 4.30 6.06 -0.14 -4.90 118.95 126.68 1ndm s ARG 155 Ca 0.48 -0.78 -0.05 0.00 -2.50 0.00 0.00 55.73 52.88 1ndm s ARG 155 Cb -0.28 -2.69 -0.15 0.00 0.06 0.00 0.00 34.95 31.90 1ndm s ARG 155 CO 0.34 -0.21 -0.28 0.00 -2.50 0.00 0.00 175.30 172.64 1ndm n GLN 156 N 4.66 0.62 -2.11 5.12 10.64 -1.26 -4.42 117.38 130.63 1ndm n GLN 156 Ca -0.20 0.19 -0.39 0.00 -1.83 0.00 0.00 57.00 54.77 1ndm n GLN 156 Cb 0.50 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.38 1ndm n GLN 156 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1ndm s ASN 157 N -6.91 6.34 0.00 2.61 4.22 -1.26 -3.35 114.94 116.58 1ndm s ASN 157 Ca -0.36 2.57 0.00 0.00 -2.14 0.00 0.00 52.86 52.93 1ndm s ASN 157 Cb 0.11 -2.63 0.00 0.00 1.28 0.00 0.00 41.25 40.01 1ndm s ASN 157 CO 0.54 -0.82 0.00 0.61 -2.04 0.00 0.00 177.10 175.39 1ndm n GLY 158 N 0.66 0.75 3.81 0.45 0.00 -1.26 -4.92 105.19 104.69 1ndm n GLY 158 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1ndm n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ndm s VAL 159 N -2.84 5.38 -0.03 1.61 1.01 -1.21 -1.89 120.40 122.43 1ndm s VAL 159 Ca 0.00 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.34 1ndm s VAL 159 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.90 1ndm s VAL 159 CO 0.00 0.53 -0.02 -0.76 0.00 0.00 0.00 175.10 174.86 1ndm s LEU 160 N -0.44 1.30 0.18 3.92 1.43 -0.57 -5.00 118.68 119.51 1ndm s LEU 160 Ca 0.15 -0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.28 1ndm s LEU 160 Cb -0.13 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 1ndm s LEU 160 CO 0.04 -0.07 -0.13 0.20 0.23 0.00 0.00 176.35 176.62 1ndm s ASN 161 N 0.86 4.07 -0.09 2.29 0.01 -1.26 -1.24 114.94 119.59 1ndm s ASN 161 Ca -0.09 -0.63 -0.06 0.00 -0.71 0.00 0.00 52.86 51.36 1ndm s ASN 161 Cb -0.13 -0.62 0.03 0.00 0.41 0.00 0.00 41.25 40.94 1ndm s ASN 161 CO -0.01 0.11 0.22 -0.55 -1.51 0.00 0.00 177.10 175.36 1ndm s SER 162 N -2.74 -0.22 0.14 -1.22 0.15 0.03 -5.00 113.70 104.83 1ndm s SER 162 Ca 0.24 0.44 0.11 0.00 0.70 0.00 0.00 55.95 57.43 1ndm s SER 162 Cb -0.09 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 1ndm s SER 162 CO 0.14 -0.11 -0.24 0.26 1.20 0.00 0.00 173.24 174.49 1ndm s TRP 163 N 0.54 2.36 0.46 3.44 0.51 -1.26 0.09 118.94 125.08 1ndm s TRP 163 Ca -0.04 -0.35 0.04 0.00 -2.12 0.00 0.00 56.10 53.64 1ndm s TRP 163 Cb -0.05 -1.25 0.01 0.00 -0.81 0.00 0.00 33.47 31.37 1ndm s TRP 163 CO -0.03 0.38 0.65 0.95 -0.51 0.00 0.00 176.95 178.40 1ndm s THR 164 N -1.20 3.19 0.54 2.01 -4.23 -0.76 -5.02 115.64 110.17 1ndm s THR 164 Ca 0.16 -0.79 -0.13 0.00 -1.18 0.00 0.00 61.69 59.75 1ndm s THR 164 Cb -0.10 -3.14 -0.06 0.00 1.34 0.00 0.00 72.50 70.54 1ndm s THR 164 CO 0.08 -0.08 0.97 -1.81 -0.54 0.00 0.00 174.62 173.24 1ndm s ASP 165 N -4.33 6.45 -0.08 3.99 1.01 -1.26 -4.54 116.67 117.90 1ndm s ASP 165 Ca 0.53 1.44 -0.37 0.00 0.71 0.00 0.00 52.55 54.87 1ndm s ASP 165 Cb -0.10 -2.47 -0.15 0.00 1.01 0.00 0.00 42.92 41.22 1ndm s ASP 165 CO 0.36 -0.68 1.67 1.67 0.21 0.00 0.00 175.17 178.40 1ndm n GLN 166 N -2.03 1.57 -1.70 8.23 7.27 -1.26 -4.80 117.38 124.66 1ndm n GLN 166 Ca 0.06 0.57 -0.43 0.00 0.07 0.00 0.00 57.00 57.27 1ndm n GLN 166 Cb 0.54 -2.30 -0.01 0.00 2.41 0.00 0.00 30.24 30.88 1ndm n GLN 166 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1ndm n ASP 167 N 4.82 2.77 0.22 1.69 -0.08 0.83 -4.88 116.55 121.91 1ndm n ASP 167 Ca 0.22 1.20 0.09 0.00 -1.51 0.00 0.00 54.79 54.80 1ndm n ASP 167 Cb 0.21 -1.48 0.45 0.00 2.34 0.00 0.00 41.12 42.64 1ndm n ASP 167 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1ndm h SER 168 N 2.71 0.00 0.00 1.67 0.02 -1.90 -2.22 113.55 113.82 1ndm h SER 168 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1ndm h SER 168 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1ndm h SER 168 CO 0.64 0.24 -0.18 0.29 -1.14 0.00 0.00 176.83 176.68 1ndm n LYS 169 N -3.43 0.12 0.00 3.45 5.02 -1.26 -4.66 118.16 117.40 1ndm n LYS 169 Ca -0.00 0.19 0.14 0.00 -2.02 0.00 0.00 58.31 56.62 1ndm n LYS 169 Cb 0.43 -0.85 0.57 0.00 -0.02 0.00 0.00 35.03 35.16 1ndm n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1ndm n ASP 170 N -2.89 0.86 -1.74 4.39 5.68 -1.26 -4.94 116.55 116.65 1ndm n ASP 170 Ca -0.03 -0.98 -0.19 0.00 -0.50 0.00 0.00 54.79 53.09 1ndm n ASP 170 Cb 0.09 0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.03 1ndm n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1ndm n SER 171 N -0.54 -5.35 -5.01 -1.12 7.64 -0.84 -4.97 113.62 103.44 1ndm n SER 171 Ca 0.16 0.27 -0.18 0.00 1.01 0.00 0.00 58.87 60.13 1ndm n SER 171 Cb 0.30 -4.46 0.02 0.00 -1.01 0.00 0.00 64.21 59.05 1ndm n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ndm s THR 172 N -2.80 2.83 0.27 0.44 -4.23 -1.26 -4.61 115.64 106.27 1ndm s THR 172 Ca 0.00 -1.02 0.11 0.00 -1.18 0.00 0.00 61.69 59.60 1ndm s THR 172 Cb 0.00 -2.85 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 1ndm s THR 172 CO 0.00 0.00 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.65 1ndm s TYR 173 N -2.41 2.47 0.05 3.99 2.02 0.01 -0.12 117.35 123.35 1ndm s TYR 173 Ca 0.56 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.99 1ndm s TYR 173 Cb -0.09 -1.09 -0.03 0.00 -0.40 0.00 0.00 41.96 40.36 1ndm s TYR 173 CO 0.34 0.67 -0.06 -1.12 -1.57 0.00 0.00 175.55 173.81 1ndm s SER 174 N -3.53 0.69 0.03 2.29 0.01 -1.26 -0.80 113.70 111.14 1ndm s SER 174 Ca 0.30 -0.66 0.02 0.00 1.31 0.00 0.00 55.95 56.92 1ndm s SER 174 Cb -0.06 0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.23 1ndm s SER 174 CO 0.17 -0.32 -0.07 -0.32 0.41 0.00 0.00 173.24 173.11 1ndm s MET 175 N -2.18 0.47 -0.08 12.44 1.75 0.11 -1.83 119.30 129.99 1ndm s MET 175 Ca -0.06 -0.60 0.04 0.00 -1.25 0.00 0.00 55.69 53.82 1ndm s MET 175 Cb -0.05 -0.27 -0.00 0.00 2.84 0.00 0.00 34.83 37.34 1ndm s MET 175 CO -0.02 0.05 -0.21 0.45 -0.65 0.00 0.00 175.02 174.64 1ndm s SER 176 N -1.22 2.70 -0.15 1.11 0.15 0.11 -0.89 113.70 115.51 1ndm s SER 176 Ca -0.08 -0.47 -0.02 0.00 0.70 0.00 0.00 55.95 56.08 1ndm s SER 176 Cb -0.08 -1.05 0.05 0.00 -1.71 0.00 0.00 66.02 63.23 1ndm s SER 176 CO 0.00 0.15 0.01 -0.55 1.20 0.00 0.00 173.24 174.06 1ndm s SER 177 N 0.24 2.45 -0.10 5.45 0.15 0.16 -0.79 113.70 121.26 1ndm s SER 177 Ca -0.12 -0.55 0.01 0.00 0.70 0.00 0.00 55.95 55.99 1ndm s SER 177 Cb -0.16 -0.58 -0.02 0.00 -1.71 0.00 0.00 66.02 63.55 1ndm s SER 177 CO 0.06 -0.25 -0.13 -0.89 1.20 0.00 0.00 173.24 173.22 1ndm s THR 178 N 1.87 3.06 -0.37 6.45 2.01 -0.37 -1.13 115.64 127.16 1ndm s THR 178 Ca 0.01 -0.68 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 1ndm s THR 178 Cb -0.15 -2.25 0.05 0.00 0.01 0.00 0.00 72.50 70.16 1ndm s THR 178 CO -0.07 0.55 0.17 -0.22 -0.69 0.00 0.00 174.62 174.36 1ndm s LEU 179 N -0.08 4.69 -0.19 4.42 2.96 -0.12 -1.51 118.68 128.86 1ndm s LEU 179 Ca -0.02 -1.27 -0.08 0.00 -0.22 0.00 0.00 54.13 52.53 1ndm s LEU 179 Cb -0.14 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1ndm s LEU 179 CO 0.04 -0.41 0.09 -0.89 -1.32 0.00 0.00 176.35 173.86 1ndm s THR 180 N 1.42 5.06 0.12 3.68 2.01 -0.79 -0.58 115.64 126.56 1ndm s THR 180 Ca 0.01 0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.04 1ndm s THR 180 Cb -0.21 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1ndm s THR 180 CO 0.03 0.46 0.09 -0.76 -0.69 0.00 0.00 174.62 173.75 1ndm s LEU 181 N 0.30 1.72 0.58 4.42 1.43 0.75 -4.75 118.68 123.13 1ndm s LEU 181 Ca 0.06 -1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 51.93 1ndm s LEU 181 Cb -0.12 0.46 -0.05 0.00 0.03 0.00 0.00 46.19 46.51 1ndm s LEU 181 CO -0.01 -0.74 1.00 0.42 0.23 0.00 0.00 176.35 177.26 1ndm s THR 182 N -4.01 4.66 0.30 5.49 -4.23 -1.26 -0.59 115.64 116.00 1ndm s THR 182 Ca 0.20 0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 61.65 1ndm s THR 182 Cb 0.07 -3.82 0.27 0.00 1.34 0.00 0.00 72.50 70.36 1ndm s THR 182 CO -0.01 -0.98 1.95 0.50 -0.54 0.00 0.00 174.62 175.55 1ndm h LYS 183 N 0.13 1.08 -0.35 3.99 3.64 -1.36 -1.36 116.57 122.34 1ndm h LYS 183 Ca -0.45 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 1ndm h LYS 183 Cb 1.19 -0.24 -0.08 0.00 -0.41 0.00 0.00 32.23 32.68 1ndm h LYS 183 CO 0.62 0.71 -0.50 0.22 -2.27 0.00 0.00 179.45 178.24 1ndm h ASP 184 N 1.11 -1.64 -0.22 4.20 1.82 -1.92 -2.11 116.42 117.67 1ndm h ASP 184 Ca 0.33 0.22 -0.11 0.00 -0.39 0.00 0.00 57.03 57.08 1ndm h ASP 184 Cb -0.04 0.68 -0.00 0.00 0.68 0.00 0.00 39.33 40.65 1ndm h ASP 184 CO -0.09 -0.41 -0.30 -0.33 -1.61 0.00 0.00 179.24 176.50 1ndm h GLU 185 N -0.41 0.59 -1.00 0.28 5.08 -1.84 -3.22 114.58 114.05 1ndm h GLU 185 Ca 0.09 -0.34 0.18 0.00 -1.00 0.00 0.00 59.36 58.29 1ndm h GLU 185 Cb 0.61 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.79 1ndm h GLU 185 CO -0.55 0.95 0.62 -0.92 -1.00 0.00 0.00 179.01 178.10 1ndm h TYR 186 N 0.27 1.05 -0.08 4.33 3.20 -1.05 -0.14 116.97 124.54 1ndm h TYR 186 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1ndm h TYR 186 Cb 0.88 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1ndm h TYR 186 CO 0.08 0.26 0.00 0.39 -1.64 0.00 0.00 178.16 177.25 1ndm n GLU 187 N -4.73 1.22 -0.34 1.82 1.02 -0.81 -3.11 120.64 115.72 1ndm n GLU 187 Ca 0.23 -0.34 0.08 0.00 -0.02 0.00 0.00 57.16 57.10 1ndm n GLU 187 Cb 0.56 -1.14 0.23 0.00 -0.02 0.00 0.00 31.44 31.07 1ndm n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ndm n ARG 188 N -0.28 3.04 -4.13 3.49 1.74 -0.06 -4.97 116.66 115.49 1ndm n ARG 188 Ca 0.06 -2.44 -0.10 0.00 -0.77 0.00 0.00 57.85 54.60 1ndm n ARG 188 Cb 0.10 -1.54 -0.10 0.00 -1.02 0.00 0.00 32.46 29.89 1ndm n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1ndm s HIS 189 N -1.58 0.76 -0.08 -1.55 3.76 -1.18 -5.11 115.29 110.31 1ndm s HIS 189 Ca 0.35 -0.86 -0.07 0.00 -0.15 0.00 0.00 55.06 54.33 1ndm s HIS 189 Cb 0.22 -0.46 -0.02 0.00 1.11 0.00 0.00 32.58 33.43 1ndm s HIS 189 CO 0.17 -0.18 -0.15 -1.71 -0.85 0.00 0.00 174.74 172.02 1ndm n ASN 190 N 0.31 0.83 -4.76 1.40 5.15 -1.26 -4.79 115.26 112.13 1ndm n ASN 190 Ca -0.15 0.16 -0.36 0.00 -0.60 0.00 0.00 54.58 53.63 1ndm n ASN 190 Cb 0.60 -0.61 -0.08 0.00 -0.53 0.00 0.00 39.78 39.16 1ndm n ASN 190 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1ndm s SER 191 N -4.80 6.05 -0.12 1.20 1.04 -1.26 -1.01 113.70 114.79 1ndm s SER 191 Ca -0.12 0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.61 1ndm s SER 191 Cb 0.02 -1.99 -0.01 0.00 0.10 0.00 0.00 66.02 64.14 1ndm s SER 191 CO 0.18 0.29 -0.17 -0.31 0.98 0.00 0.00 173.24 174.21 1ndm s TYR 192 N -0.32 2.73 -0.04 5.02 1.51 -0.90 -1.38 117.35 123.97 1ndm s TYR 192 Ca 0.10 -0.79 0.04 0.00 -1.01 0.00 0.00 57.07 55.41 1ndm s TYR 192 Cb -0.12 -1.80 -0.00 0.00 -0.11 0.00 0.00 41.96 39.93 1ndm s TYR 192 CO 0.01 -0.29 -0.14 0.99 -1.11 0.00 0.00 175.55 175.01 1ndm s THR 193 N 0.36 1.21 -0.29 -0.71 2.01 0.54 -2.31 115.64 116.45 1ndm s THR 193 Ca -0.14 -0.60 -0.06 0.00 0.31 0.00 0.00 61.69 61.20 1ndm s THR 193 Cb -0.17 -1.05 0.01 0.00 0.01 0.00 0.00 72.50 71.30 1ndm s THR 193 CO 0.07 0.36 0.07 0.00 -0.69 0.00 0.00 174.62 174.42 1ndm s GLU 195 N 1.50 3.07 -0.09 0.00 2.12 0.13 -1.37 118.70 124.07 1ndm s GLU 195 Ca 0.03 -0.83 0.04 0.00 0.36 0.00 0.00 54.97 54.57 1ndm s GLU 195 Cb -0.17 -2.49 0.00 0.00 0.26 0.00 0.00 34.13 31.73 1ndm s GLU 195 CO 0.02 -0.02 -0.22 0.00 -0.54 0.00 0.00 175.26 174.50 1ndm s ALA 196 N 0.84 2.04 -0.15 6.30 0.00 -0.15 0.16 121.76 130.79 1ndm s ALA 196 Ca -0.06 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1ndm s ALA 196 Cb -0.15 -0.76 -0.00 0.00 0.00 0.00 0.00 23.12 22.21 1ndm s ALA 196 CO -0.02 0.28 -0.16 0.99 0.00 0.00 0.00 175.76 176.85 1ndm s THR 197 N 0.32 2.60 0.03 0.00 2.01 0.11 0.15 115.64 120.87 1ndm s THR 197 Ca -0.17 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.05 1ndm s THR 197 Cb -0.17 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 1ndm s THR 197 CO 0.08 0.52 -0.06 -2.28 -0.69 0.00 0.00 174.62 172.19 1ndm s HIS 198 N 0.79 0.50 0.46 4.92 2.46 -1.26 -1.53 115.29 121.63 1ndm s HIS 198 Ca -0.06 -0.49 0.35 0.00 0.47 0.00 0.00 55.06 55.33 1ndm s HIS 198 Cb -0.15 -0.31 1.53 0.00 -0.13 0.00 0.00 32.58 33.51 1ndm s HIS 198 CO 0.00 -0.12 1.58 -0.22 -2.47 0.00 0.00 174.74 173.51 1ndm h LYS 199 N 4.63 0.01 0.00 2.88 3.64 -1.94 0.76 116.57 126.53 1ndm h LYS 199 Ca -0.34 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1ndm h LYS 199 Cb 1.20 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1ndm h LYS 199 CO 0.41 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.85 1ndm n THR 200 N -4.64 1.50 -3.64 1.00 -2.24 -1.26 -4.74 114.28 100.26 1ndm n THR 200 Ca 0.41 0.51 -0.10 0.00 -2.27 0.00 0.00 64.05 62.61 1ndm n THR 200 Cb 1.62 -1.48 -0.07 0.00 -2.10 0.00 0.00 70.33 68.31 1ndm n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ndm s SER 201 N -3.39 -0.49 0.00 3.42 0.15 0.26 -4.98 113.70 108.66 1ndm s SER 201 Ca 0.01 0.95 0.28 0.00 0.70 0.00 0.00 55.95 57.88 1ndm s SER 201 Cb 0.04 0.97 1.39 0.00 -1.71 0.00 0.00 66.02 66.70 1ndm s SER 201 CO 0.12 -0.16 1.95 0.35 1.20 0.00 0.00 173.24 176.69 1ndm n THR 202 N 2.31 0.10 -3.68 6.45 -2.24 -1.26 -4.25 114.28 111.70 1ndm n THR 202 Ca -0.13 0.02 -0.38 0.00 -2.27 0.00 0.00 64.05 61.30 1ndm n THR 202 Cb 0.56 -0.57 -0.12 0.00 -2.10 0.00 0.00 70.33 68.10 1ndm n THR 202 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ndm s SER 203 N -2.59 5.47 0.85 3.42 0.15 -1.26 -5.08 113.70 114.66 1ndm s SER 203 Ca 0.26 -0.34 -0.11 0.00 0.70 0.00 0.00 55.95 56.46 1ndm s SER 203 Cb 0.19 -1.99 0.11 0.00 -1.71 0.00 0.00 66.02 62.61 1ndm s SER 203 CO 0.43 -0.12 1.14 -2.16 1.20 0.00 0.00 173.24 173.73 1ndm s PRO 204 N 1.63 1.48 -0.25 5.44 0.04 -1.26 -4.87 135.00 137.22 1ndm s PRO 204 Ca 0.06 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 1ndm s PRO 204 Cb -0.16 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1ndm s PRO 204 CO 0.06 -2.27 0.24 0.42 0.04 0.00 0.00 177.00 175.49 1ndm s ILE 205 N -2.65 5.29 -0.19 0.56 1.01 0.12 -4.94 121.20 120.40 1ndm s ILE 205 Ca 0.66 0.33 -0.00 0.00 0.00 0.00 0.00 60.65 61.64 1ndm s ILE 205 Cb -0.22 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.69 1ndm s ILE 205 CO 0.56 0.28 -0.15 -0.69 0.00 0.00 0.00 174.94 174.94 1ndm s VAL 206 N 1.41 2.42 -0.13 2.92 1.01 -1.26 -0.98 120.40 125.79 1ndm s VAL 206 Ca 0.11 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1ndm s VAL 206 Cb -0.15 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1ndm s VAL 206 CO 0.07 0.49 -0.22 -0.54 0.00 0.00 0.00 175.10 174.90 1ndm s LYS 207 N 1.34 3.04 0.18 2.72 -0.14 -0.47 -5.00 119.74 121.40 1ndm s LYS 207 Ca 0.05 -0.86 -0.10 0.00 -1.36 0.00 0.00 55.97 53.70 1ndm s LYS 207 Cb -0.14 -2.41 -0.00 0.00 -1.68 0.00 0.00 37.83 33.60 1ndm s LYS 207 CO -0.10 0.03 0.33 0.45 -0.76 0.00 0.00 175.35 175.30 1ndm s SER 208 N 0.70 -0.01 -0.01 2.83 0.15 -1.26 -0.03 113.70 116.08 1ndm s SER 208 Ca -0.10 -0.84 -0.26 0.00 0.70 0.00 0.00 55.95 55.45 1ndm s SER 208 Cb -0.16 0.47 0.06 0.00 -1.71 0.00 0.00 66.02 64.67 1ndm s SER 208 CO 0.01 -0.93 0.59 0.72 1.20 0.00 0.00 173.24 174.82 1ndm s PHE 209 N -3.97 -0.54 -0.09 3.44 -0.12 -0.98 -5.03 117.98 110.70 1ndm s PHE 209 Ca 0.17 0.82 -0.02 0.00 -0.05 0.00 0.00 56.93 57.85 1ndm s PHE 209 Cb 0.02 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 1ndm s PHE 209 CO 0.01 -0.61 -0.01 -0.80 -0.05 0.00 0.00 175.22 173.76 1ndm s ASN 210 N -1.49 5.13 -0.06 1.98 0.01 -1.26 -2.11 114.94 117.13 1ndm s ASN 210 Ca -0.09 0.11 -0.37 0.00 -0.71 0.00 0.00 52.86 51.79 1ndm s ASN 210 Cb -0.01 -1.45 -0.15 0.00 0.41 0.00 0.00 41.25 40.06 1ndm s ASN 210 CO 0.05 0.36 1.63 0.54 -1.51 0.00 0.00 177.10 178.17 1ndm n ARG 211 N 2.24 1.53 -1.16 -0.60 5.12 -0.18 -1.82 116.66 121.79 1ndm n ARG 211 Ca -0.18 0.56 -0.05 0.00 -1.93 0.00 0.00 57.85 56.24 1ndm n ARG 211 Cb 0.53 -2.28 -0.02 0.00 -1.16 0.00 0.00 32.46 29.53 1ndm n ARG 211 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1ndm n ASN 212 N 4.47 -5.39 -4.36 0.55 3.02 -1.26 -4.99 115.26 107.31 1ndm n ASN 212 Ca 0.22 0.14 -0.23 0.00 -0.03 0.00 0.00 54.58 54.67 1ndm n ASN 212 Cb 0.21 -3.37 -0.11 0.00 -0.61 0.00 0.00 39.78 35.89 1ndm n ASN 212 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ndm s GLU 213 N -2.24 1.35 0.00 3.52 2.02 -0.76 -5.31 118.70 117.28 1ndm s GLU 213 Ca 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.54 1ndm s GLU 213 Cb 0.00 -1.47 0.00 0.00 0.10 0.00 0.00 34.13 32.76 1ndm s GLU 213 CO 0.00 0.30 0.45 0.00 0.02 0.00 0.00 175.26 176.03