#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm n ARG 5 N 0.00 -0.00 0.17 -4.13 0.63 -1.26 0.59 116.66 112.65 3bdm n ARG 5 Ca 0.00 0.73 0.03 0.00 -0.92 0.00 0.00 57.85 57.70 3bdm n ARG 5 Cb 0.00 -1.66 0.42 0.00 0.45 0.00 0.00 32.46 31.68 3bdm n ARG 5 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 3bdm h ASN 6 N 0.00 0.11 0.16 6.15 -1.24 -2.07 -2.47 115.58 116.23 3bdm h ASN 6 Ca 0.62 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.60 3bdm h ASN 6 Cb 2.42 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 41.44 3bdm h ASN 6 CO -0.05 0.31 -0.07 0.59 -1.29 0.00 0.00 177.43 176.92 3bdm n ASN 7 N -4.26 0.76 -0.16 1.15 5.03 0.20 -4.07 115.26 113.91 3bdm n ASN 7 Ca -0.02 -0.97 0.03 0.00 0.87 0.00 0.00 54.58 54.49 3bdm n ASN 7 Cb 0.28 -0.01 0.04 0.00 -1.02 0.00 0.00 39.78 39.07 3bdm n ASN 7 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3bdm n TYR 8 N -0.58 0.00 -0.93 3.10 4.01 -0.96 -4.77 117.16 117.04 3bdm n TYR 8 Ca 0.17 -0.38 0.07 0.00 -0.16 0.00 0.00 57.90 57.60 3bdm n TYR 8 Cb 0.28 -0.07 0.09 0.00 -0.31 0.00 0.00 39.34 39.34 3bdm n TYR 8 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3bdm n ASP 9 N -0.50 2.00 0.13 7.72 3.85 -1.07 -4.48 116.55 124.21 3bdm n ASP 9 Ca 0.04 -2.71 0.13 0.00 -0.71 0.00 0.00 54.79 51.54 3bdm n ASP 9 Cb 0.54 -0.31 0.47 0.00 -1.35 0.00 0.00 41.12 40.48 3bdm n ASP 9 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3bdm h GLY 10 N 0.00 0.00 -2.23 6.12 0.00 -1.86 -3.42 103.07 101.68 3bdm h GLY 10 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 47.33 47.60 3bdm h GLY 10 CO 0.00 0.00 0.73 0.51 0.00 0.00 0.00 176.54 177.78 3bdm s ASP 11 N -4.48 -0.05 0.00 0.19 1.47 -1.26 -5.05 116.67 107.49 3bdm s ASP 11 Ca 0.06 -0.32 0.27 0.00 1.18 0.00 0.00 52.55 53.75 3bdm s ASP 11 Cb 0.10 0.29 0.97 0.00 -0.34 0.00 0.00 42.92 43.94 3bdm s ASP 11 CO 0.47 -0.56 1.71 0.41 0.68 0.00 0.00 175.17 177.88 3bdm n THR 12 N -0.62 0.00 0.29 2.11 -1.04 -1.26 -3.74 114.28 110.02 3bdm n THR 12 Ca -0.04 -0.06 0.04 0.00 -2.04 0.00 0.00 64.05 61.95 3bdm n THR 12 Cb 0.61 0.07 0.19 0.00 -1.82 0.00 0.00 70.33 69.38 3bdm n THR 12 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3bdm n VAL 13 N -1.01 1.10 -4.84 12.58 3.14 -1.26 -4.60 118.33 123.44 3bdm n VAL 13 Ca 0.12 -0.64 -0.27 0.00 -2.96 0.00 0.00 64.34 60.59 3bdm n VAL 13 Cb 0.31 -0.17 -0.16 0.00 -1.06 0.00 0.00 33.84 32.76 3bdm n VAL 13 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3bdm s THR 14 N -1.76 1.46 -0.00 1.55 2.01 -1.24 -5.07 115.64 112.58 3bdm s THR 14 Ca 0.27 -0.72 -0.07 0.00 0.31 0.00 0.00 61.69 61.49 3bdm s THR 14 Cb 0.19 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 3bdm s THR 14 CO 0.11 0.42 0.26 -0.36 -0.69 0.00 0.00 174.62 174.36 3bdm s PHE 15 N 0.17 3.58 0.65 4.92 0.08 -1.26 -4.68 117.98 121.44 3bdm s PHE 15 Ca -0.07 0.57 -0.08 0.00 0.12 0.00 0.00 56.93 57.47 3bdm s PHE 15 Cb -0.13 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.35 3bdm s PHE 15 CO 0.03 0.62 0.99 -1.54 -0.10 0.00 0.00 175.22 175.23 3bdm s SER 16 N -1.64 5.44 0.27 1.36 1.04 0.17 -4.88 113.70 115.45 3bdm s SER 16 Ca 0.26 0.85 0.17 0.00 0.48 0.00 0.00 55.95 57.72 3bdm s SER 16 Cb -0.13 -1.73 0.93 0.00 0.10 0.00 0.00 66.02 65.19 3bdm s SER 16 CO 0.15 -1.24 1.51 -2.65 0.98 0.00 0.00 173.24 171.99 3bdm n PRO 17 N -2.79 0.11 -0.36 4.02 -0.02 -1.26 -0.43 135.00 134.27 3bdm n PRO 17 Ca 0.06 0.60 0.10 0.00 -2.02 0.00 0.00 63.50 62.25 3bdm n PRO 17 Cb 0.58 -1.90 0.29 0.00 -0.02 0.00 0.00 33.50 32.45 3bdm n PRO 17 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3bdm n THR 18 N -2.11 1.09 -2.05 3.45 -2.24 -1.26 -4.95 114.28 106.21 3bdm n THR 18 Ca -0.01 -1.03 -0.01 0.00 -2.27 0.00 0.00 64.05 60.73 3bdm n THR 18 Cb 0.06 0.46 -0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3bdm n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bdm n GLY 19 N 1.35 0.35 3.75 3.38 0.00 0.43 -5.06 105.19 109.39 3bdm n GLY 19 Ca 0.22 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 3bdm n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bdm s ARG 20 N -4.11 2.69 -0.47 1.61 0.52 -1.25 -4.81 118.95 113.12 3bdm s ARG 20 Ca 0.00 -1.14 0.04 0.00 -0.52 0.00 0.00 55.73 54.11 3bdm s ARG 20 Cb -0.00 -2.44 0.13 0.00 0.52 0.00 0.00 34.95 33.16 3bdm s ARG 20 CO 0.00 0.41 0.22 -0.51 0.02 0.00 0.00 175.30 175.44 3bdm s LEU 21 N -3.60 4.12 0.14 2.53 1.43 -1.26 -0.66 118.68 121.37 3bdm s LEU 21 Ca 0.32 -2.79 -0.19 0.00 -1.03 0.00 0.00 54.13 50.44 3bdm s LEU 21 Cb -0.08 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 3bdm s LEU 21 CO 0.23 -0.26 1.74 -0.26 0.23 0.00 0.00 176.35 178.02 3bdm h PHE 22 N 6.74 0.12 -0.88 0.29 0.04 -1.84 -1.80 116.94 119.62 3bdm h PHE 22 Ca -0.07 0.01 0.22 0.00 2.80 0.00 0.00 57.97 60.94 3bdm h PHE 22 Cb 0.92 -0.02 -0.13 0.00 2.20 0.00 0.00 35.95 38.93 3bdm h PHE 22 CO 0.50 0.05 0.36 1.96 -0.60 0.00 0.00 178.31 180.58 3bdm h GLN 23 N 0.17 0.36 -0.51 1.51 1.08 -1.82 0.89 115.11 116.79 3bdm h GLN 23 Ca 0.11 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.21 3bdm h GLN 23 Cb 0.10 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 3bdm h GLN 23 CO -0.13 0.24 0.00 0.28 -0.95 0.00 0.00 178.83 178.27 3bdm h VAL 24 N 0.37 1.26 -0.36 -0.54 2.07 -1.80 -2.16 116.25 115.09 3bdm h VAL 24 Ca 0.55 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 3bdm h VAL 24 Cb 1.05 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3bdm h VAL 24 CO -0.54 0.38 -0.05 -0.33 0.02 0.00 0.00 177.57 177.05 3bdm h GLU 25 N 0.76 0.59 -0.29 1.57 5.08 0.11 -1.66 114.58 120.75 3bdm h GLU 25 Ca 0.14 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3bdm h GLU 25 Cb 0.52 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3bdm h GLU 25 CO 0.03 0.65 -0.27 1.88 -1.00 0.00 0.00 179.01 180.30 3bdm h TYR 26 N 0.56 0.65 0.19 4.33 0.05 0.65 -2.27 116.97 121.13 3bdm h TYR 26 Ca 0.11 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 3bdm h TYR 26 Cb 0.43 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.01 3bdm h TYR 26 CO 0.02 0.79 -0.11 0.00 -1.05 0.00 0.00 178.16 177.80 3bdm h ALA 27 N 1.21 -0.28 -0.92 3.88 0.00 -0.71 -1.16 119.26 121.28 3bdm h ALA 27 Ca 0.07 -0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.15 3bdm h ALA 27 Cb 0.72 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3bdm h ALA 27 CO 0.06 -0.66 0.63 -0.07 0.00 0.00 0.00 179.25 179.20 3bdm h LEU 28 N -0.28 0.27 -0.80 0.00 4.07 -1.03 0.34 115.31 117.88 3bdm h LEU 28 Ca -0.02 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3bdm h LEU 28 Cb 0.23 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.92 3bdm h LEU 28 CO 0.03 0.10 0.45 -0.08 -1.08 0.00 0.00 178.44 177.85 3bdm h GLU 29 N 0.26 1.11 -0.62 1.13 4.57 -0.63 -1.88 114.58 118.53 3bdm h GLU 29 Ca 0.47 -0.13 0.17 0.00 -1.18 0.00 0.00 59.36 58.70 3bdm h GLU 29 Cb 1.41 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 3bdm h GLU 29 CO -0.13 0.82 0.44 0.00 -1.18 0.00 0.00 179.01 178.95 3bdm h ALA 30 N 1.24 2.50 -0.08 2.92 0.00 -0.04 -1.19 119.26 124.60 3bdm h ALA 30 Ca 0.28 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3bdm h ALA 30 Cb 0.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3bdm h ALA 30 CO -0.05 -0.68 -0.20 0.82 0.00 0.00 0.00 179.25 179.15 3bdm h ILE 31 N 0.06 1.41 0.00 0.00 2.04 -1.35 -2.87 117.51 116.80 3bdm h ILE 31 Ca 0.30 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 3bdm h ILE 31 Cb 1.10 2.20 -0.00 0.00 -0.74 0.00 0.00 36.82 39.38 3bdm h ILE 31 CO -0.02 0.43 -0.03 0.11 0.00 0.00 0.00 178.15 178.64 3bdm h LYS 32 N -0.20 0.00 0.00 2.37 6.56 -1.14 0.30 116.57 124.47 3bdm h LYS 32 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3bdm h LYS 32 Cb 0.80 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.46 3bdm h LYS 32 CO 0.04 0.03 0.00 0.37 -2.06 0.00 0.00 179.45 177.83 3bdm h GLN 33 N 0.00 0.00 -7.36 3.15 4.15 -1.32 -2.46 115.11 111.27 3bdm h GLN 33 Ca -0.00 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 58.91 3bdm h GLN 33 Cb 0.06 0.00 0.06 0.00 0.21 0.00 0.00 27.48 27.81 3bdm h GLN 33 CO 0.00 0.00 0.42 0.20 -1.93 0.00 0.00 178.83 177.52 3bdm s GLY 34 N -3.82 1.66 0.43 2.39 0.00 0.11 -4.75 107.32 103.34 3bdm s GLY 34 Ca 0.07 -0.09 -0.26 0.00 0.00 0.00 0.00 44.72 44.45 3bdm s GLY 34 CO 0.57 0.19 1.39 -0.45 0.00 0.00 0.00 173.10 174.80 3bdm s SER 35 N -4.16 6.03 0.58 1.64 0.15 -1.26 0.45 113.70 117.13 3bdm s SER 35 Ca 0.55 2.85 -0.19 0.00 0.70 0.00 0.00 55.95 59.86 3bdm s SER 35 Cb -0.11 -2.65 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 3bdm s SER 35 CO 0.54 -1.06 1.22 0.54 1.20 0.00 0.00 173.24 175.68 3bdm s VAL 36 N -1.21 2.59 -0.18 4.45 0.11 -1.26 -4.55 120.40 120.34 3bdm s VAL 36 Ca 0.59 0.38 -0.20 0.00 -2.93 0.00 0.00 61.98 59.82 3bdm s VAL 36 Cb -0.42 -3.16 0.05 0.00 -1.53 0.00 0.00 36.38 31.32 3bdm s VAL 36 CO 0.54 -0.07 0.55 0.28 -3.33 0.00 0.00 175.10 173.08 3bdm s THR 37 N -1.55 0.00 0.07 5.04 -1.32 -0.86 -1.56 115.64 115.46 3bdm s THR 37 Ca 0.76 -0.03 0.08 0.00 -1.21 0.00 0.00 61.69 61.29 3bdm s THR 37 Cb -0.31 -0.78 -0.03 0.00 -1.51 0.00 0.00 72.50 69.86 3bdm s THR 37 CO 0.35 -0.02 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.83 3bdm s VAL 38 N 0.04 1.77 -0.01 5.08 1.01 0.35 -2.06 120.40 126.58 3bdm s VAL 38 Ca -0.02 -1.35 0.03 0.00 0.00 0.00 0.00 61.98 60.64 3bdm s VAL 38 Cb -0.04 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 3bdm s VAL 38 CO 0.02 0.14 -0.10 -0.83 0.00 0.00 0.00 175.10 174.33 3bdm s GLY 39 N -1.45 0.48 -0.10 4.51 0.00 0.85 -0.21 107.32 111.40 3bdm s GLY 39 Ca 0.08 -0.42 -0.29 0.00 0.00 0.00 0.00 44.72 44.09 3bdm s GLY 39 CO 0.03 -0.34 0.66 0.48 0.00 0.00 0.00 173.10 173.93 3bdm s LEU 40 N -0.22 -0.58 0.17 0.66 2.34 -0.85 0.43 118.68 120.63 3bdm s LEU 40 Ca 0.04 0.84 0.01 0.00 0.06 0.00 0.00 54.13 55.07 3bdm s LEU 40 Cb -0.04 2.44 -0.04 0.00 -0.56 0.00 0.00 46.19 47.98 3bdm s LEU 40 CO -0.00 -0.52 0.04 0.00 -1.06 0.00 0.00 176.35 174.81 3bdm s ARG 41 N -0.85 1.10 0.00 1.48 1.70 0.44 -0.29 118.95 122.53 3bdm s ARG 41 Ca -0.09 -1.55 0.00 0.00 -0.47 0.00 0.00 55.73 53.63 3bdm s ARG 41 Cb -0.01 -0.07 0.00 0.00 -0.57 0.00 0.00 34.95 34.30 3bdm s ARG 41 CO 0.08 -0.21 0.00 -1.13 -1.08 0.00 0.00 175.30 172.95 3bdm n SER 42 N -0.23 0.12 -0.21 -2.89 3.41 0.20 -4.26 113.62 109.76 3bdm n SER 42 Ca -0.05 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.67 3bdm n SER 42 Cb 0.64 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.62 3bdm n SER 42 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3bdm n ASN 43 N 0.00 1.31 -0.00 4.04 3.02 -1.25 -4.46 115.26 117.92 3bdm n ASN 43 Ca 0.00 -1.07 -0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3bdm n ASN 43 Cb 0.00 0.60 -0.01 0.00 -0.61 0.00 0.00 39.78 39.77 3bdm n ASN 43 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3bdm n THR 44 N -0.86 0.04 -4.12 3.41 -2.24 -1.26 -4.40 114.28 104.86 3bdm n THR 44 Ca 0.07 -0.04 -0.08 0.00 -2.27 0.00 0.00 64.05 61.73 3bdm n THR 44 Cb 0.38 -0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 68.02 3bdm n THR 44 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3bdm s HIS 45 N -2.04 0.65 -0.04 4.78 3.76 -1.26 -1.76 115.29 119.38 3bdm s HIS 45 Ca -0.00 -1.03 0.02 0.00 -0.15 0.00 0.00 55.06 53.90 3bdm s HIS 45 Cb 0.00 -0.43 0.01 0.00 1.11 0.00 0.00 32.58 33.27 3bdm s HIS 45 CO 0.04 -0.31 -0.09 0.00 -0.85 0.00 0.00 174.74 173.53 3bdm s ALA 46 N -3.83 0.93 0.15 -1.40 0.00 -0.21 -0.63 121.76 116.77 3bdm s ALA 46 Ca 0.09 -0.30 0.09 0.00 0.00 0.00 0.00 51.96 51.84 3bdm s ALA 46 Cb 0.07 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3bdm s ALA 46 CO -0.08 0.11 -0.20 0.08 0.00 0.00 0.00 175.76 175.67 3bdm s VAL 47 N 0.43 1.89 -0.01 0.00 1.01 0.60 -1.82 120.40 122.50 3bdm s VAL 47 Ca -0.07 -1.82 0.04 0.00 0.00 0.00 0.00 61.98 60.12 3bdm s VAL 47 Cb -0.11 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 3bdm s VAL 47 CO 0.01 -0.19 -0.12 -0.76 0.00 0.00 0.00 175.10 174.04 3bdm s LEU 48 N -2.42 1.99 -0.04 3.92 1.43 -0.36 -2.01 118.68 121.20 3bdm s LEU 48 Ca 0.14 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 3bdm s LEU 48 Cb -0.07 -0.62 0.02 0.00 0.03 0.00 0.00 46.19 45.55 3bdm s LEU 48 CO 0.06 0.14 -0.03 -0.69 0.23 0.00 0.00 176.35 176.06 3bdm s VAL 49 N -0.22 0.42 0.06 -1.59 1.01 0.71 -1.47 120.40 119.32 3bdm s VAL 49 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.01 3bdm s VAL 49 Cb -0.05 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 3bdm s VAL 49 CO -0.00 0.21 -0.12 0.00 0.00 0.00 0.00 175.10 175.19 3bdm s ALA 50 N 1.04 0.93 -0.43 5.51 0.00 0.05 0.13 121.76 129.00 3bdm s ALA 50 Ca -0.09 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 3bdm s ALA 50 Cb -0.14 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 22.98 3bdm s ALA 50 CO -0.01 0.10 0.31 -1.17 0.00 0.00 0.00 175.76 174.99 3bdm s LEU 51 N -1.64 5.24 0.07 0.00 2.96 -0.60 -2.10 118.68 122.62 3bdm s LEU 51 Ca -0.05 -1.14 -0.30 0.00 -0.22 0.00 0.00 54.13 52.42 3bdm s LEU 51 Cb -0.10 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 3bdm s LEU 51 CO 0.01 -0.52 0.98 -0.54 -1.32 0.00 0.00 176.35 174.96 3bdm s LYS 52 N 1.61 4.64 0.22 1.98 1.02 -0.10 -4.55 119.74 124.55 3bdm s LYS 52 Ca 0.04 1.46 0.03 0.00 0.02 0.00 0.00 55.97 57.52 3bdm s LYS 52 Cb -0.21 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 3bdm s LYS 52 CO 0.07 0.10 0.36 0.50 -0.92 0.00 0.00 175.35 175.46 3bdm s ARG 53 N 0.36 3.45 0.15 1.68 3.52 -1.26 -4.83 118.95 122.03 3bdm s ARG 53 Ca 0.49 -0.62 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 3bdm s ARG 53 Cb -0.23 -2.89 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 3bdm s ARG 53 CO 0.29 0.43 -0.01 0.54 -0.81 0.00 0.00 175.30 175.74 3bdm s ASN 54 N -3.66 1.18 0.00 -2.12 4.22 -1.26 -2.14 114.94 111.16 3bdm s ASN 54 Ca 0.35 -1.13 0.00 0.00 -2.14 0.00 0.00 52.86 49.94 3bdm s ASN 54 Cb -0.10 0.12 0.00 0.00 1.28 0.00 0.00 41.25 42.55 3bdm s ASN 54 CO 0.30 -0.54 0.00 0.00 -2.04 0.00 0.00 177.10 174.81 3bdm n ALA 55 N -0.19 0.00 -2.28 3.54 0.00 -1.26 -5.02 120.51 115.30 3bdm n ALA 55 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3bdm n ALA 55 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3bdm n ALA 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3bdm n ASP 56 N -1.77 0.44 -0.51 0.00 9.92 -1.26 -4.99 116.55 118.37 3bdm n ASP 56 Ca 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.32 3bdm n ASP 56 Cb 0.00 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 40.55 3bdm n ASP 56 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3bdm n GLU 57 N 0.00 1.02 0.00 -1.24 4.71 -1.26 -4.01 120.64 119.86 3bdm n GLU 57 Ca 0.00 -1.35 0.08 0.00 -0.01 0.00 0.00 57.16 55.88 3bdm n GLU 57 Cb 0.00 -1.24 -0.07 0.00 -1.01 0.00 0.00 31.44 29.12 3bdm n GLU 57 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3bdm n LEU 58 N 0.66 1.06 0.00 -4.62 4.32 -1.26 -4.98 117.00 112.17 3bdm n LEU 58 Ca 0.08 -0.57 -0.03 0.00 -0.02 0.00 0.00 56.01 55.47 3bdm n LEU 58 Cb 0.32 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.13 3bdm n LEU 58 CO 0.08 0.24 0.06 -1.54 -1.22 0.00 0.00 177.39 175.00 3bdm n SER 59 N -1.05 0.18 -4.73 -1.43 3.41 -1.26 -5.13 113.62 103.61 3bdm n SER 59 Ca 0.04 -1.15 -0.24 0.00 -0.26 0.00 0.00 58.87 57.26 3bdm n SER 59 Cb 0.30 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 64.10 3bdm n SER 59 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3bdm s SER 60 N -1.48 4.46 -0.45 4.04 1.04 -1.26 -4.88 113.70 115.16 3bdm s SER 60 Ca 0.08 -1.02 -0.17 0.00 0.48 0.00 0.00 55.95 55.32 3bdm s SER 60 Cb -0.00 -0.52 0.04 0.00 0.10 0.00 0.00 66.02 65.64 3bdm s SER 60 CO 0.05 -0.49 0.46 -0.31 0.98 0.00 0.00 173.24 173.93 3bdm s TYR 63 N -2.57 3.16 0.18 5.02 1.51 -1.26 -4.14 117.35 119.26 3bdm s TYR 63 Ca 0.40 -0.54 -0.33 0.00 -1.01 0.00 0.00 57.07 55.59 3bdm s TYR 63 Cb 0.02 -3.07 -0.15 0.00 -0.11 0.00 0.00 41.96 38.66 3bdm s TYR 63 CO 0.23 -0.79 1.38 0.94 -1.11 0.00 0.00 175.55 176.20 3bdm n GLN 64 N 5.61 1.71 -1.91 -0.62 7.27 -0.91 -4.88 117.38 123.66 3bdm n GLN 64 Ca -0.08 0.61 -0.41 0.00 0.07 0.00 0.00 57.00 57.19 3bdm n GLN 64 Cb 0.46 -2.26 -0.01 0.00 2.41 0.00 0.00 30.24 30.85 3bdm n GLN 64 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 3bdm s LYS 65 N 0.04 4.19 -0.00 3.69 -2.85 -1.26 -4.42 119.74 119.14 3bdm s LYS 65 Ca 0.74 2.45 0.05 0.00 -1.00 0.00 0.00 55.97 58.22 3bdm s LYS 65 Cb -0.75 -3.00 -0.07 0.00 -2.06 0.00 0.00 37.83 31.95 3bdm s LYS 65 CO 0.47 -0.42 0.15 1.63 0.10 0.00 0.00 175.35 177.29 3bdm n LYS 66 N 0.58 2.34 -4.93 1.78 4.76 -1.26 -4.97 118.16 116.46 3bdm n LYS 66 Ca 0.01 -0.03 -0.33 0.00 -2.87 0.00 0.00 58.31 55.09 3bdm n LYS 66 Cb 0.40 -0.96 -0.14 0.00 -1.84 0.00 0.00 35.03 32.49 3bdm n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3bdm s ILE 67 N -1.98 2.82 -0.03 -0.18 1.01 -1.26 0.14 121.20 121.71 3bdm s ILE 67 Ca -0.00 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.91 3bdm s ILE 67 Cb 0.03 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 3bdm s ILE 67 CO 0.21 0.56 -0.16 -0.63 0.00 0.00 0.00 174.94 174.91 3bdm s ILE 68 N -0.12 1.33 -0.18 2.92 1.01 0.52 -5.00 121.20 121.69 3bdm s ILE 68 Ca -0.02 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 59.79 3bdm s ILE 68 Cb -0.14 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 3bdm s ILE 68 CO 0.04 0.38 0.36 -0.75 0.00 0.00 0.00 174.94 174.97 3bdm s LYS 69 N -0.12 4.21 0.01 2.79 2.20 -1.26 -1.04 119.74 126.53 3bdm s LYS 69 Ca 0.00 0.17 0.22 0.00 -0.36 0.00 0.00 55.97 56.00 3bdm s LYS 69 Cb -0.09 -3.50 -0.27 0.00 -1.51 0.00 0.00 37.83 32.46 3bdm s LYS 69 CO 0.01 0.07 0.60 0.00 -0.36 0.00 0.00 175.35 175.67 3bdm n ASP 71 N -2.26 -1.28 0.24 0.00 4.64 -0.83 -4.45 116.55 112.61 3bdm n ASP 71 Ca -0.03 -1.37 0.17 0.00 -1.38 0.00 0.00 54.79 52.17 3bdm n ASP 71 Cb 0.55 2.01 0.74 0.00 -1.04 0.00 0.00 41.12 43.38 3bdm n ASP 71 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 3bdm h GLU 72 N 0.00 0.00 0.00 -0.67 4.39 -1.96 -3.09 114.58 113.24 3bdm h GLU 72 Ca -0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.48 3bdm h GLU 72 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3bdm h GLU 72 CO 0.31 0.00 0.00 -2.39 -1.16 0.00 0.00 179.01 175.77 3bdm n HIS 73 N -2.79 0.00 -3.75 4.33 1.44 -1.26 -1.57 115.22 111.61 3bdm n HIS 73 Ca -0.00 -0.36 -0.13 0.00 -2.01 0.00 0.00 57.72 55.22 3bdm n HIS 73 Cb 0.21 -0.04 -0.09 0.00 0.12 0.00 0.00 29.99 30.20 3bdm n HIS 73 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 3bdm s MET 74 N -0.72 0.67 0.18 -1.40 -2.45 -1.17 -1.38 119.30 113.03 3bdm s MET 74 Ca 0.00 -0.15 -0.23 0.00 -1.25 0.00 0.00 55.69 54.06 3bdm s MET 74 Cb 0.00 0.30 0.07 0.00 1.25 0.00 0.00 34.83 36.45 3bdm s MET 74 CO 0.00 -0.18 0.99 0.20 1.05 0.00 0.00 175.02 177.08 3bdm s GLY 75 N -1.25 -0.02 0.13 2.11 0.00 -0.82 -1.23 107.32 106.24 3bdm s GLY 75 Ca -0.13 -0.15 -0.16 0.00 0.00 0.00 0.00 44.72 44.28 3bdm s GLY 75 CO 0.04 1.15 0.41 0.48 0.00 0.00 0.00 173.10 175.18 3bdm s LEU 76 N -3.18 0.39 0.24 0.66 2.34 -0.21 -1.36 118.68 117.56 3bdm s LEU 76 Ca 0.17 -0.36 0.10 0.00 0.06 0.00 0.00 54.13 54.11 3bdm s LEU 76 Cb -0.02 1.85 -0.05 0.00 -0.56 0.00 0.00 46.19 47.41 3bdm s LEU 76 CO 0.04 -0.88 -0.13 -0.94 -1.06 0.00 0.00 176.35 173.39 3bdm s SER 77 N -2.82 3.98 0.23 1.48 1.04 -0.55 -0.35 113.70 116.72 3bdm s SER 77 Ca 0.04 -0.79 0.07 0.00 0.48 0.00 0.00 55.95 55.75 3bdm s SER 77 Cb 0.02 -0.54 -0.05 0.00 0.10 0.00 0.00 66.02 65.54 3bdm s SER 77 CO -0.11 0.06 -0.09 -1.48 0.98 0.00 0.00 173.24 172.60 3bdm s LEU 78 N -3.26 2.48 -0.22 2.42 0.05 0.12 -1.87 118.68 118.40 3bdm s LEU 78 Ca 0.28 -1.11 -0.04 0.00 0.05 0.00 0.00 54.13 53.31 3bdm s LEU 78 Cb -0.07 -0.59 0.12 0.00 -2.05 0.00 0.00 46.19 43.60 3bdm s LEU 78 CO 0.16 -0.29 0.38 0.00 -0.55 0.00 0.00 176.35 176.05 3bdm s ALA 79 N -3.07 -1.07 0.00 1.48 0.00 -0.91 -4.90 121.76 113.30 3bdm s ALA 79 Ca 0.25 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.30 3bdm s ALA 79 Cb 0.02 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.62 3bdm s ALA 79 CO 0.09 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.19 3bdm n GLY 80 N 5.37 0.45 3.57 0.00 0.00 -1.26 -1.05 105.19 112.28 3bdm n GLY 80 Ca -0.05 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 3bdm n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdm s LEU 81 N 0.00 3.41 0.24 0.99 1.43 0.57 -4.88 118.68 120.45 3bdm s LEU 81 Ca 0.00 0.99 -0.05 0.00 -1.03 0.00 0.00 54.13 54.04 3bdm s LEU 81 Cb 0.00 -3.02 0.43 0.00 0.03 0.00 0.00 46.19 43.63 3bdm s LEU 81 CO 0.00 -2.14 1.72 0.00 0.23 0.00 0.00 176.35 176.16 3bdm h ALA 82 N 14.81 0.99 -0.84 4.21 0.00 -1.95 -1.25 119.26 135.23 3bdm h ALA 82 Ca -0.30 0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.84 3bdm h ALA 82 Cb 1.19 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 3bdm h ALA 82 CO 1.11 -0.24 0.48 -1.35 0.00 0.00 0.00 179.25 179.24 3bdm h PRO 83 N 0.39 0.75 -0.31 0.00 0.11 -1.99 -1.51 132.00 129.44 3bdm h PRO 83 Ca 0.40 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.40 3bdm h PRO 83 Cb 0.62 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 3bdm h PRO 83 CO -0.42 0.50 -0.09 -0.44 -0.21 0.00 0.00 178.00 177.34 3bdm h ASP 84 N 0.78 0.49 -0.57 -2.05 3.45 -1.62 -1.93 116.42 114.97 3bdm h ASP 84 Ca 0.42 -0.12 -0.04 0.00 0.43 0.00 0.00 57.03 57.72 3bdm h ASP 84 Cb 0.42 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 39.03 3bdm h ASP 84 CO -0.27 0.62 0.20 0.00 -1.57 0.00 0.00 179.24 178.23 3bdm h ALA 85 N 1.44 1.21 0.42 3.45 0.00 -1.01 -0.21 119.26 124.56 3bdm h ALA 85 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3bdm h ALA 85 Cb 0.44 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3bdm h ALA 85 CO 0.02 0.56 -0.20 -0.09 0.00 0.00 0.00 179.25 179.54 3bdm h ARG 86 N 0.89 -0.54 -0.37 0.00 2.43 -0.85 0.26 114.38 116.20 3bdm h ARG 86 Ca 0.20 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.48 3bdm h ARG 86 Cb 0.23 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 3bdm h ARG 86 CO -0.01 -0.33 -0.09 0.28 -1.51 0.00 0.00 179.97 178.31 3bdm h VAL 87 N -0.61 0.64 -0.21 0.20 2.07 -0.97 -0.12 116.25 117.25 3bdm h VAL 87 Ca -0.06 -0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 3bdm h VAL 87 Cb 0.46 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3bdm h VAL 87 CO 0.09 0.00 -0.14 -0.07 0.02 0.00 0.00 177.57 177.47 3bdm h LEU 88 N 0.01 0.49 -1.05 2.57 3.38 -0.89 -1.74 115.31 118.08 3bdm h LEU 88 Ca 0.18 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 3bdm h LEU 88 Cb 0.27 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3bdm h LEU 88 CO -0.37 0.82 -0.14 0.77 0.09 0.00 0.00 178.44 179.60 3bdm h SER 89 N 0.16 0.50 -0.26 -0.43 4.64 -0.39 -0.16 113.55 117.61 3bdm h SER 89 Ca 0.04 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.14 3bdm h SER 89 Cb 0.66 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3bdm h SER 89 CO 0.04 0.67 -0.13 -1.13 -0.87 0.00 0.00 176.83 175.40 3bdm h ASN 90 N 0.47 0.66 -0.15 4.97 -0.73 -0.97 0.21 115.58 120.05 3bdm h ASN 90 Ca 0.08 -0.20 -0.15 0.00 1.87 0.00 0.00 56.30 57.91 3bdm h ASN 90 Cb 0.53 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.93 3bdm h ASN 90 CO 0.03 0.82 -0.42 0.22 -0.37 0.00 0.00 177.43 177.72 3bdm h TYR 91 N 0.61 0.83 -0.36 0.67 5.03 -0.53 -2.43 116.97 120.78 3bdm h TYR 91 Ca 0.10 -0.25 -0.10 0.00 2.58 0.00 0.00 58.73 61.07 3bdm h TYR 91 Cb 0.58 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.67 3bdm h TYR 91 CO 0.03 0.99 -0.17 1.25 -1.32 0.00 0.00 178.16 178.93 3bdm h LEU 92 N 0.56 0.67 -0.36 2.82 5.85 -0.43 -2.05 115.31 122.37 3bdm h LEU 92 Ca 0.04 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3bdm h LEU 92 Cb 0.95 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3bdm h LEU 92 CO 0.09 0.85 0.20 0.03 -0.34 0.00 0.00 178.44 179.27 3bdm h ARG 93 N 0.60 0.51 -0.13 1.25 3.08 -0.32 -1.05 114.38 118.32 3bdm h ARG 93 Ca 0.10 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.11 3bdm h ARG 93 Cb 0.63 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3bdm h ARG 93 CO 0.04 0.41 -0.01 1.96 -1.07 0.00 0.00 179.97 181.31 3bdm h GLN 94 N 0.46 0.03 -0.98 0.04 4.20 -1.19 -0.26 115.11 117.41 3bdm h GLN 94 Ca 0.13 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.92 3bdm h GLN 94 Cb 0.05 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.76 3bdm h GLN 94 CO -0.02 0.02 0.63 1.96 -0.67 0.00 0.00 178.83 180.75 3bdm h GLN 95 N 0.03 1.05 -0.58 1.46 1.08 -1.14 0.49 115.11 117.50 3bdm h GLN 95 Ca 0.06 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 3bdm h GLN 95 Cb 0.08 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 3bdm h GLN 95 CO -0.11 0.70 0.18 0.00 -0.95 0.00 0.00 178.83 178.64 3bdm h ASN 97 N 0.82 1.04 -0.74 0.00 -0.00 0.36 -2.76 115.58 114.29 3bdm h ASN 97 Ca 0.19 -0.31 -0.06 0.00 -0.00 0.00 0.00 56.30 56.13 3bdm h ASN 97 Cb 0.29 -0.28 -0.03 0.00 -0.00 0.00 0.00 38.32 38.30 3bdm h ASN 97 CO -0.01 1.09 0.25 0.22 -0.00 0.00 0.00 177.43 178.99 3bdm h TYR 98 N 0.96 1.18 -0.53 0.67 3.20 0.10 -1.26 116.97 121.29 3bdm h TYR 98 Ca 0.17 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 3bdm h TYR 98 Cb 0.56 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3bdm h TYR 98 CO 0.04 0.92 0.05 1.03 -1.64 0.00 0.00 178.16 178.56 3bdm h SER 99 N 1.11 0.82 0.48 -2.11 0.87 -1.30 -1.32 113.55 112.09 3bdm h SER 99 Ca 0.24 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 3bdm h SER 99 Cb 0.29 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3bdm h SER 99 CO -0.01 0.85 -0.23 0.28 -0.53 0.00 0.00 176.83 177.19 3bdm h SER 100 N 0.81 -0.55 0.25 6.23 0.02 -1.18 -1.70 113.55 117.44 3bdm h SER 100 Ca 0.16 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3bdm h SER 100 Cb 0.41 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 3bdm h SER 100 CO 0.01 -0.14 -0.37 -0.07 -1.14 0.00 0.00 176.83 175.12 3bdm h LEU 101 N -1.07 -1.04 0.02 5.07 3.38 -1.25 0.51 115.31 120.92 3bdm h LEU 101 Ca -0.07 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3bdm h LEU 101 Cb 0.57 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3bdm h LEU 101 CO 0.11 -0.49 -0.01 0.58 0.09 0.00 0.00 178.44 178.72 3bdm h VAL 102 N -0.69 1.40 -0.02 1.22 2.07 -1.37 -3.37 116.25 115.50 3bdm h VAL 102 Ca -0.00 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.17 3bdm h VAL 102 Cb 0.66 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 3bdm h VAL 102 CO -0.14 0.34 -0.24 0.49 0.02 0.00 0.00 177.57 178.04 3bdm n PHE 103 N -4.82 0.00 -3.71 1.57 3.01 -0.71 -4.97 117.46 107.83 3bdm n PHE 103 Ca -0.09 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.14 3bdm n PHE 103 Cb 0.29 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.80 3bdm n PHE 103 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3bdm n ASN 104 N 0.25 -2.65 -3.93 4.37 4.05 0.18 -4.97 115.26 112.55 3bdm n ASN 104 Ca 0.08 -0.76 -0.16 0.00 0.45 0.00 0.00 54.58 54.19 3bdm n ASN 104 Cb 0.39 -4.23 -0.15 0.00 1.23 0.00 0.00 39.78 37.02 3bdm n ASN 104 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 3bdm s ARG 105 N -6.10 0.39 0.03 1.20 3.52 -0.86 -4.96 118.95 112.18 3bdm s ARG 105 Ca 0.22 -0.14 -0.30 0.00 -0.13 0.00 0.00 55.73 55.38 3bdm s ARG 105 Cb -0.11 -0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 32.84 3bdm s ARG 105 CO 0.80 0.07 1.02 0.15 -0.81 0.00 0.00 175.30 176.53 3bdm s LYS 106 N 0.05 4.55 0.05 5.12 1.02 -1.26 -2.94 119.74 126.31 3bdm s LYS 106 Ca -0.00 1.50 -0.30 0.00 0.02 0.00 0.00 55.97 57.18 3bdm s LYS 106 Cb -0.04 -3.43 -0.08 0.00 -0.52 0.00 0.00 37.83 33.77 3bdm s LYS 106 CO -0.00 -0.07 1.64 -1.17 -0.92 0.00 0.00 175.35 174.83 3bdm s LEU 107 N 0.90 4.36 0.36 3.17 2.96 -1.26 -4.96 118.68 124.21 3bdm s LEU 107 Ca 0.53 2.43 -0.27 0.00 -0.22 0.00 0.00 54.13 56.60 3bdm s LEU 107 Cb -0.23 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.81 3bdm s LEU 107 CO 0.29 -0.88 1.17 0.00 -1.32 0.00 0.00 176.35 175.60 3bdm s ALA 108 N 2.86 3.26 0.22 5.97 0.00 -1.26 -4.86 121.76 127.95 3bdm s ALA 108 Ca 0.73 0.98 -0.07 0.00 0.00 0.00 0.00 51.96 53.61 3bdm s ALA 108 Cb -0.38 -3.38 0.29 0.00 0.00 0.00 0.00 23.12 19.65 3bdm s ALA 108 CO 0.32 -0.45 1.82 0.28 0.00 0.00 0.00 175.76 177.73 3bdm h VAL 109 N 2.60 0.97 -0.78 0.00 2.07 -1.94 0.12 116.25 119.30 3bdm h VAL 109 Ca -0.48 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 66.82 3bdm h VAL 109 Cb 1.23 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3bdm h VAL 109 CO 0.64 0.14 0.51 -0.08 0.02 0.00 0.00 177.57 178.80 3bdm h GLU 110 N 0.78 0.85 0.01 1.57 4.81 -2.00 -0.44 114.58 120.16 3bdm h GLU 110 Ca 0.34 -0.05 -0.27 0.00 -0.13 0.00 0.00 59.36 59.25 3bdm h GLU 110 Cb 0.22 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.42 3bdm h GLU 110 CO -0.19 0.56 -1.06 -0.09 -0.73 0.00 0.00 179.01 177.50 3bdm h ARG 111 N 0.88 0.67 -0.60 1.92 2.43 -1.52 -2.52 114.38 115.63 3bdm h ARG 111 Ca 0.33 -0.74 0.07 0.00 -0.81 0.00 0.00 59.98 58.83 3bdm h ARG 111 Cb 0.17 0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 3bdm h ARG 111 CO -0.11 1.32 0.28 0.00 -1.51 0.00 0.00 179.97 179.95 3bdm h ALA 112 N 0.42 0.79 -0.32 2.80 0.00 -0.11 0.18 119.26 123.02 3bdm h ALA 112 Ca -0.13 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3bdm h ALA 112 Cb 1.71 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 3bdm h ALA 112 CO 0.21 -0.10 0.12 0.78 0.00 0.00 0.00 179.25 180.25 3bdm h GLY 113 N 0.50 0.40 0.99 0.00 0.00 -1.04 -0.60 103.07 103.33 3bdm h GLY 113 Ca 0.29 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.56 3bdm h GLY 113 CO -0.24 0.04 0.66 0.45 0.00 0.00 0.00 176.54 177.45 3bdm h HIS 114 N 0.26 1.24 -0.10 5.60 -0.00 -0.82 -0.18 115.15 121.15 3bdm h HIS 114 Ca 0.14 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.54 3bdm h HIS 114 Cb 0.11 -0.42 -0.00 0.00 -0.00 0.00 0.00 27.41 27.09 3bdm h HIS 114 CO -0.13 0.76 0.05 -0.07 -0.00 0.00 0.00 177.93 178.54 3bdm h LEU 115 N 1.32 0.14 0.09 2.43 3.38 -0.35 -2.15 115.31 120.17 3bdm h LEU 115 Ca 0.37 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.23 3bdm h LEU 115 Cb -0.12 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3bdm h LEU 115 CO -0.09 0.22 -0.13 -0.07 0.09 0.00 0.00 178.44 178.46 3bdm h LEU 116 N 0.04 -0.36 -0.35 1.67 3.38 -0.67 -1.98 115.31 117.05 3bdm h LEU 116 Ca 0.04 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3bdm h LEU 116 Cb 0.12 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 3bdm h LEU 116 CO -0.00 -0.20 -0.37 0.00 0.09 0.00 0.00 178.44 177.95 3bdm h ASP 118 N -0.32 0.34 -0.17 0.00 3.32 -1.18 -0.71 116.42 117.69 3bdm h ASP 118 Ca 0.14 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3bdm h ASP 118 Cb 0.57 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 3bdm h ASP 118 CO -0.52 0.30 -0.09 0.50 -1.72 0.00 0.00 179.24 177.71 3bdm h LYS 119 N 0.39 0.37 -0.07 3.56 3.64 -0.54 -2.93 116.57 120.99 3bdm h LYS 119 Ca 0.10 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3bdm h LYS 119 Cb 0.05 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3bdm h LYS 119 CO -0.01 0.68 0.04 0.00 -2.27 0.00 0.00 179.45 177.89 3bdm h ALA 120 N 0.67 0.08 -0.91 5.00 0.00 -0.80 -3.03 119.26 120.27 3bdm h ALA 120 Ca 0.04 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.13 3bdm h ALA 120 Cb 0.58 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.24 3bdm h ALA 120 CO 0.03 -0.43 0.48 0.37 0.00 0.00 0.00 179.25 179.70 3bdm h GLN 121 N 0.08 0.58 -0.45 0.00 -0.00 -1.11 -0.94 115.11 113.27 3bdm h GLN 121 Ca 0.03 -0.03 0.12 0.00 -0.00 0.00 0.00 58.65 58.76 3bdm h GLN 121 Cb -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.33 3bdm h GLN 121 CO -0.01 0.38 0.32 0.87 0.00 0.00 0.00 178.83 180.40 3bdm h LYS 122 N 0.60 0.05 -0.67 1.69 1.57 -1.39 -0.86 116.57 117.55 3bdm h LYS 122 Ca 0.53 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 3bdm h LYS 122 Cb 0.86 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3bdm h LYS 122 CO -0.42 0.03 0.00 0.09 -0.57 0.00 0.00 179.45 178.58 3bdm n ASN 123 N -4.42 1.86 -0.12 0.86 3.02 -0.36 -3.61 115.26 112.50 3bdm n ASN 123 Ca 0.08 -2.17 0.01 0.00 -0.03 0.00 0.00 54.58 52.47 3bdm n ASN 123 Cb 0.50 -0.42 0.02 0.00 -0.61 0.00 0.00 39.78 39.27 3bdm n ASN 123 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3bdm n THR 124 N 0.13 0.50 -0.16 3.41 -2.24 -0.33 -3.56 114.28 112.04 3bdm n THR 124 Ca 0.07 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3bdm n THR 124 Cb 0.39 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 3bdm n THR 124 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3bdm n GLN 125 N -0.32 1.07 -5.09 -0.78 7.27 -1.24 -4.71 117.38 113.58 3bdm n GLN 125 Ca 0.02 -0.02 -0.32 0.00 0.07 0.00 0.00 57.00 56.75 3bdm n GLN 125 Cb 0.50 -0.20 -0.14 0.00 2.41 0.00 0.00 30.24 32.81 3bdm n GLN 125 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3bdm s SER 126 N -0.16 3.56 0.69 1.69 0.01 -1.25 -4.90 113.70 113.33 3bdm s SER 126 Ca 0.00 -0.33 -0.17 0.00 1.31 0.00 0.00 55.95 56.76 3bdm s SER 126 Cb 0.00 -0.60 0.01 0.00 0.21 0.00 0.00 66.02 65.64 3bdm s SER 126 CO 0.00 0.33 1.26 -0.47 0.41 0.00 0.00 173.24 174.78 3bdm s TYR 127 N -0.67 2.03 0.00 2.43 5.04 -1.26 -3.26 117.35 121.66 3bdm s TYR 127 Ca 0.11 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.27 3bdm s TYR 127 Cb -0.10 -3.62 0.00 0.00 0.35 0.00 0.00 41.96 38.59 3bdm s TYR 127 CO -0.00 -2.84 0.00 0.41 -1.34 0.00 0.00 175.55 171.78 3bdm n GLY 128 N 0.74 2.70 3.79 8.97 0.00 -1.26 -5.03 105.19 115.09 3bdm n GLY 128 Ca 0.15 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3bdm n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bdm n GLY 129 N 0.00 -1.50 3.14 -0.02 0.00 -1.20 -5.10 105.19 100.51 3bdm n GLY 129 Ca 0.00 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 3bdm n GLY 129 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bdm s ARG 130 N -5.85 0.32 0.99 1.61 1.70 -1.25 -4.77 118.95 111.70 3bdm s ARG 130 Ca 0.74 0.31 -0.11 0.00 -0.47 0.00 0.00 55.73 56.20 3bdm s ARG 130 Cb -0.02 0.15 0.19 0.00 -0.57 0.00 0.00 34.95 34.70 3bdm s ARG 130 CO 0.52 -0.04 1.10 -2.14 -1.08 0.00 0.00 175.30 173.65 3bdm s PRO 131 N 0.04 0.40 0.36 3.89 0.02 -1.23 -4.88 135.00 133.59 3bdm s PRO 131 Ca -0.01 1.21 -0.23 0.00 0.02 0.00 0.00 61.00 61.99 3bdm s PRO 131 Cb -0.02 -1.68 -0.10 0.00 0.02 0.00 0.00 34.50 32.72 3bdm s PRO 131 CO 0.01 -2.94 0.91 0.71 -0.33 0.00 0.00 177.00 175.36 3bdm s TYR 132 N -2.62 3.51 -0.63 6.54 1.51 -1.26 -4.97 117.35 119.42 3bdm s TYR 132 Ca 0.67 1.64 0.01 0.00 -1.01 0.00 0.00 57.07 58.37 3bdm s TYR 132 Cb -0.23 -2.84 0.40 0.00 -0.11 0.00 0.00 41.96 39.19 3bdm s TYR 132 CO 0.60 0.08 1.66 0.41 -1.11 0.00 0.00 175.55 177.20 3bdm n GLY 133 N 0.02 5.84 3.08 0.71 0.00 -1.26 -4.61 105.19 108.96 3bdm n GLY 133 Ca 0.04 -2.56 -0.10 0.00 0.00 0.00 0.00 46.02 43.40 3bdm n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdm s VAL 134 N -5.11 0.12 0.01 1.61 0.11 -1.26 -0.31 120.40 115.56 3bdm s VAL 134 Ca 0.53 -0.95 0.07 0.00 -2.93 0.00 0.00 61.98 58.69 3bdm s VAL 134 Cb 0.44 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 3bdm s VAL 134 CO -0.22 -0.52 -0.20 -0.83 -3.33 0.00 0.00 175.10 169.99 3bdm s GLY 135 N -1.76 1.47 0.03 6.54 0.00 -0.21 -3.99 107.32 109.40 3bdm s GLY 135 Ca -0.10 -1.14 0.05 0.00 0.00 0.00 0.00 44.72 43.53 3bdm s GLY 135 CO -0.02 -0.99 -0.16 1.08 0.00 0.00 0.00 173.10 173.01 3bdm s LEU 136 N -1.07 2.14 -0.26 0.66 1.43 -0.57 -2.13 118.68 118.88 3bdm s LEU 136 Ca 0.12 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 3bdm s LEU 136 Cb -0.10 -0.73 0.05 0.00 0.03 0.00 0.00 46.19 45.44 3bdm s LEU 136 CO 0.02 0.10 -0.08 -0.76 0.23 0.00 0.00 176.35 175.86 3bdm s LEU 137 N -0.98 3.45 -0.20 1.79 1.43 -0.78 0.23 118.68 123.62 3bdm s LEU 137 Ca 0.04 -1.24 -0.07 0.00 -1.03 0.00 0.00 54.13 51.83 3bdm s LEU 137 Cb -0.08 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 3bdm s LEU 137 CO 0.01 -0.19 0.04 -0.63 0.23 0.00 0.00 176.35 175.82 3bdm s ILE 138 N 1.19 4.48 0.25 -0.59 1.01 0.74 -1.47 121.20 126.80 3bdm s ILE 138 Ca -0.06 -0.14 0.10 0.00 0.00 0.00 0.00 60.65 60.56 3bdm s ILE 138 Cb -0.19 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 3bdm s ILE 138 CO -0.04 0.43 -0.07 0.27 0.00 0.00 0.00 174.94 175.52 3bdm s ILE 139 N 0.72 3.14 0.00 2.92 -4.36 -0.47 0.20 121.20 123.35 3bdm s ILE 139 Ca 0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.41 3bdm s ILE 139 Cb -0.14 -2.65 0.00 0.00 1.25 0.00 0.00 42.46 40.92 3bdm s ILE 139 CO 0.02 -0.33 0.00 0.61 0.24 0.00 0.00 174.94 175.47 3bdm n GLY 140 N -0.66 0.87 3.12 6.27 0.00 -0.89 -1.95 105.19 111.95 3bdm n GLY 140 Ca -0.07 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 3bdm n GLY 140 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bdm s TYR 141 N -2.00 3.05 0.00 1.61 5.04 -0.48 -0.56 117.35 124.01 3bdm s TYR 141 Ca 0.00 -1.91 0.00 0.00 -2.44 0.00 0.00 57.07 52.72 3bdm s TYR 141 Cb 0.00 -1.95 0.00 0.00 0.35 0.00 0.00 41.96 40.36 3bdm s TYR 141 CO 0.00 -0.82 0.00 -0.40 -1.34 0.00 0.00 175.55 172.99 3bdm n ASP 142 N 4.55 1.05 0.29 4.32 3.85 -0.08 -4.84 116.55 125.69 3bdm n ASP 142 Ca -0.17 0.00 0.17 0.00 -0.71 0.00 0.00 54.79 54.08 3bdm n ASP 142 Cb 0.46 0.00 0.89 0.00 -1.35 0.00 0.00 41.12 41.12 3bdm n ASP 142 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 3bdm h LYS 143 N 0.00 0.00 -0.56 0.11 1.57 -1.96 -2.66 116.57 113.07 3bdm h LYS 143 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 3bdm h LYS 143 Cb 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.13 3bdm h LYS 143 CO 0.00 0.05 0.12 -1.13 -0.57 0.00 0.00 179.45 177.91 3bdm n SER 144 N -3.35 3.08 0.00 0.86 3.41 -1.26 -5.08 113.62 111.27 3bdm n SER 144 Ca -0.02 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 3bdm n SER 144 Cb 0.19 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 3bdm n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bdm n GLY 145 N -1.11 -0.85 3.88 5.00 0.00 -1.00 -4.95 105.19 106.14 3bdm n GLY 145 Ca 0.42 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 3bdm n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm s ALA 146 N -1.71 3.40 0.03 4.61 0.00 -1.26 -0.90 121.76 125.93 3bdm s ALA 146 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 3bdm s ALA 146 Cb 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.49 3bdm s ALA 146 CO 0.00 0.12 0.19 -1.01 0.00 0.00 0.00 175.76 175.06 3bdm s HIS 147 N -2.23 0.04 -0.03 0.00 3.76 0.28 -4.96 115.29 112.15 3bdm s HIS 147 Ca 0.50 -0.22 -0.01 0.00 -0.15 0.00 0.00 55.06 55.18 3bdm s HIS 147 Cb -0.10 -0.03 0.03 0.00 1.11 0.00 0.00 32.58 33.59 3bdm s HIS 147 CO 0.28 -0.40 0.03 -1.17 -0.85 0.00 0.00 174.74 172.63 3bdm s LEU 148 N -1.93 0.74 0.07 0.89 2.96 -1.25 -2.10 118.68 118.05 3bdm s LEU 148 Ca -0.07 0.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.95 3bdm s LEU 148 Cb -0.02 -0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.50 3bdm s LEU 148 CO -0.02 -0.17 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.87 3bdm s LEU 149 N 1.49 2.23 -0.18 -0.68 1.02 0.13 -1.90 118.68 120.79 3bdm s LEU 149 Ca -0.04 -0.60 0.01 0.00 0.02 0.00 0.00 54.13 53.52 3bdm s LEU 149 Cb -0.13 -0.93 0.02 0.00 0.02 0.00 0.00 46.19 45.17 3bdm s LEU 149 CO -0.03 0.11 -0.18 -0.70 0.02 0.00 0.00 176.35 175.57 3bdm s GLU 150 N -1.52 3.03 -0.21 1.70 2.12 -0.02 -0.19 118.70 123.62 3bdm s GLU 150 Ca 0.07 -0.81 -0.06 0.00 0.36 0.00 0.00 54.97 54.53 3bdm s GLU 150 Cb -0.09 -2.61 -0.03 0.00 0.26 0.00 0.00 34.13 31.66 3bdm s GLU 150 CO 0.03 -0.21 0.03 0.12 -0.54 0.00 0.00 175.26 174.69 3bdm s PHE 151 N 1.30 3.09 -0.02 5.30 5.36 0.13 -1.29 117.98 131.85 3bdm s PHE 151 Ca 0.05 -0.34 0.05 0.00 -0.96 0.00 0.00 56.93 55.73 3bdm s PHE 151 Cb -0.13 -2.12 -0.03 0.00 -0.34 0.00 0.00 43.02 40.40 3bdm s PHE 151 CO -0.12 -0.19 -0.15 -0.65 -1.46 0.00 0.00 175.22 172.66 3bdm s GLN 152 N 1.01 2.39 0.61 10.12 -1.52 -0.87 -1.51 119.66 129.89 3bdm s GLN 152 Ca 0.03 -0.77 0.26 0.00 -1.95 0.00 0.00 55.36 52.93 3bdm s GLN 152 Cb -0.14 -2.33 1.23 0.00 -0.22 0.00 0.00 33.01 31.55 3bdm s GLN 152 CO 0.02 0.60 1.66 -1.35 -0.25 0.00 0.00 175.29 175.97 3bdm h PRO 153 N 5.10 0.00 -0.47 2.91 0.11 -1.82 0.67 132.00 138.50 3bdm h PRO 153 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3bdm h PRO 153 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3bdm h PRO 153 CO 0.50 0.00 0.17 0.66 -0.21 0.00 0.00 178.00 179.12 3bdm h SER 154 N 0.00 0.61 0.00 -2.05 4.64 -1.89 -3.41 113.55 111.45 3bdm h SER 154 Ca 0.24 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3bdm h SER 154 Cb 1.65 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 3bdm h SER 154 CO -0.00 0.57 0.00 0.61 -0.87 0.00 0.00 176.83 177.14 3bdm n GLY 155 N -1.09 1.29 3.64 -0.77 0.00 0.23 -4.56 105.19 103.93 3bdm n GLY 155 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3bdm n GLY 155 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bdm s ASN 156 N -1.48 6.63 -0.16 1.61 0.01 -1.21 -4.41 114.94 115.94 3bdm s ASN 156 Ca 0.00 1.53 -0.02 0.00 -0.71 0.00 0.00 52.86 53.66 3bdm s ASN 156 Cb 0.00 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 3bdm s ASN 156 CO 0.00 -1.06 -0.09 -0.69 -1.51 0.00 0.00 177.10 173.75 3bdm s VAL 157 N 4.45 3.28 0.03 1.60 1.01 -1.26 -2.06 120.40 127.45 3bdm s VAL 157 Ca 0.62 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.11 3bdm s VAL 157 Cb -0.22 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3bdm s VAL 157 CO 0.24 0.49 -0.19 -0.89 0.00 0.00 0.00 175.10 174.75 3bdm s THR 158 N 0.66 1.53 -0.25 3.92 2.01 -0.41 -4.92 115.64 118.17 3bdm s THR 158 Ca -0.05 -1.06 -0.13 0.00 0.31 0.00 0.00 61.69 60.76 3bdm s THR 158 Cb -0.15 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 3bdm s THR 158 CO 0.02 0.23 0.28 -0.70 -0.69 0.00 0.00 174.62 173.76 3bdm s GLU 159 N -0.98 4.04 0.36 4.92 2.12 -1.26 -0.84 118.70 127.06 3bdm s GLU 159 Ca 0.06 -0.09 0.03 0.00 0.36 0.00 0.00 54.97 55.34 3bdm s GLU 159 Cb -0.08 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 3bdm s GLU 159 CO 0.01 -0.13 0.11 -0.51 -0.54 0.00 0.00 175.26 174.20 3bdm s LEU 160 N 1.61 1.98 0.03 2.70 1.43 -0.80 -5.03 118.68 120.60 3bdm s LEU 160 Ca 0.12 -1.54 0.14 0.00 -1.03 0.00 0.00 54.13 51.83 3bdm s LEU 160 Cb -0.15 -0.15 -0.17 0.00 0.03 0.00 0.00 46.19 45.75 3bdm s LEU 160 CO 0.08 -0.80 0.82 1.88 0.23 0.00 0.00 176.35 178.56 3bdm h TYR 161 N 2.00 0.00 -1.83 0.29 0.05 -1.93 -3.37 116.97 112.18 3bdm h TYR 161 Ca -0.37 0.00 0.23 0.00 0.05 0.00 0.00 58.73 58.64 3bdm h TYR 161 Cb 1.26 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.87 3bdm h TYR 161 CO 1.05 0.77 0.68 0.20 -1.05 0.00 0.00 178.16 179.80 3bdm s GLY 162 N -4.90 -0.35 0.00 3.88 0.00 -1.26 -0.42 107.32 104.27 3bdm s GLY 162 Ca -0.03 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.50 3bdm s GLY 162 CO 0.81 0.22 0.00 -0.37 0.00 0.00 0.00 173.10 173.76 3bdm n THR 163 N -0.35 0.00 -3.74 0.90 5.66 0.17 -4.94 114.28 111.97 3bdm n THR 163 Ca -0.06 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.81 3bdm n THR 163 Cb 0.61 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.31 3bdm n THR 163 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3bdm s ALA 164 N -2.00 -0.85 0.05 1.79 0.00 -1.26 -0.11 121.76 119.39 3bdm s ALA 164 Ca 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 51.96 52.31 3bdm s ALA 164 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3bdm s ALA 164 CO 0.00 -0.29 -0.04 0.96 0.00 0.00 0.00 175.76 176.39 3bdm s ILE 165 N -1.49 0.32 0.00 0.00 -4.36 -0.87 -4.86 121.20 109.93 3bdm s ILE 165 Ca -0.12 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 3bdm s ILE 165 Cb -0.04 -1.30 0.00 0.00 1.25 0.00 0.00 42.46 42.37 3bdm s ILE 165 CO 0.04 -0.86 0.00 0.61 0.24 0.00 0.00 174.94 174.97 3bdm n GLY 166 N 0.40 0.88 3.68 6.27 0.00 -1.26 -2.02 105.19 113.13 3bdm n GLY 166 Ca -0.16 -2.19 -0.45 0.00 0.00 0.00 0.00 46.02 43.23 3bdm n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm n ALA 167 N 0.21 1.67 -1.81 4.61 0.00 0.17 -1.63 120.51 123.73 3bdm n ALA 167 Ca 0.00 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 3bdm n ALA 167 Cb 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 19.45 16.95 3bdm n ALA 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3bdm n ARG 168 N 4.61 -1.07 0.03 0.00 1.74 -1.26 -4.22 116.66 116.49 3bdm n ARG 168 Ca 0.18 0.87 -0.01 0.00 -0.77 0.00 0.00 57.85 58.12 3bdm n ARG 168 Cb 0.32 -5.06 0.27 0.00 -1.02 0.00 0.00 32.46 26.97 3bdm n ARG 168 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3bdm h SER 169 N 0.00 0.42 -0.87 0.55 4.64 -1.61 -3.04 113.55 113.64 3bdm h SER 169 Ca -0.32 -0.11 0.25 0.00 -0.47 0.00 0.00 61.79 61.15 3bdm h SER 169 Cb 1.08 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 3bdm h SER 169 CO 0.42 0.59 0.65 -0.61 -0.87 0.00 0.00 176.83 177.01 3bdm h GLN 170 N 0.40 0.00 0.37 4.77 5.75 -1.89 -0.84 115.11 123.66 3bdm h GLN 170 Ca 0.07 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 3bdm h GLN 170 Cb 0.49 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.05 3bdm h GLN 170 CO 0.03 0.00 -0.18 0.78 -2.65 0.00 0.00 178.83 176.81 3bdm h GLY 171 N 0.00 -0.51 0.93 2.39 0.00 -1.75 -1.77 103.07 102.36 3bdm h GLY 171 Ca 0.42 0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.88 3bdm h GLY 171 CO -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 176.54 176.35 3bdm h ALA 172 N 0.05 0.50 -0.66 3.60 0.00 -1.32 -2.58 119.26 118.85 3bdm h ALA 172 Ca -0.05 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.70 3bdm h ALA 172 Cb 0.42 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3bdm h ALA 172 CO 0.08 0.27 0.31 -0.22 0.00 0.00 0.00 179.25 179.69 3bdm h LYS 173 N 0.47 0.52 -0.15 0.00 3.64 -1.20 -0.53 116.57 119.31 3bdm h LYS 173 Ca 0.11 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3bdm h LYS 173 Cb 0.46 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3bdm h LYS 173 CO 0.02 0.34 0.08 1.15 -2.27 0.00 0.00 179.45 178.77 3bdm h THR 174 N 0.54 1.12 -0.87 1.00 2.02 -1.22 0.10 112.91 115.60 3bdm h THR 174 Ca 0.32 -0.35 0.13 0.00 0.77 0.00 0.00 66.41 67.28 3bdm h THR 174 Cb 0.34 1.07 -0.09 0.00 -1.74 0.00 0.00 68.15 67.74 3bdm h THR 174 CO -0.27 0.11 0.49 0.22 0.37 0.00 0.00 175.52 176.44 3bdm h TYR 175 N 0.13 0.87 -0.11 3.16 3.20 -0.94 0.45 116.97 123.73 3bdm h TYR 175 Ca 0.05 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 3bdm h TYR 175 Cb 0.11 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 3bdm h TYR 175 CO -0.03 0.28 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.60 3bdm h LEU 176 N 0.75 0.29 -2.06 2.82 3.38 -0.81 0.14 115.31 119.81 3bdm h LEU 176 Ca 0.45 -0.48 0.10 0.00 0.09 0.00 0.00 57.88 58.05 3bdm h LEU 176 Cb 0.55 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3bdm h LEU 176 CO -0.31 0.71 0.35 -0.08 0.09 0.00 0.00 178.44 179.20 3bdm h GLU 177 N -0.13 0.00 0.04 1.13 4.81 0.12 0.28 114.58 120.84 3bdm h GLU 177 Ca 0.02 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.03 3bdm h GLU 177 Cb 0.62 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 3bdm h GLU 177 CO 0.03 0.00 -1.19 -0.09 -0.73 0.00 0.00 179.01 177.03 3bdm h ARG 178 N 0.00 0.09 0.00 1.92 1.12 -0.64 -3.36 114.38 113.51 3bdm h ARG 178 Ca 0.17 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 3bdm h ARG 178 Cb 0.87 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.89 3bdm h ARG 178 CO -0.00 1.08 0.00 2.41 -3.11 0.00 0.00 179.97 180.34 3bdm n THR 179 N -4.23 0.09 0.00 0.20 -1.04 0.45 -4.61 114.28 105.13 3bdm n THR 179 Ca -0.27 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 3bdm n THR 179 Cb 0.75 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 3bdm n THR 179 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3bdm n LEU 180 N -1.22 0.00 0.28 -4.42 7.94 0.91 -0.12 117.00 120.37 3bdm n LEU 180 Ca 0.15 0.30 0.06 0.00 -1.11 0.00 0.00 56.01 55.41 3bdm n LEU 180 Cb 0.19 -0.06 0.34 0.00 0.53 0.00 0.00 43.42 44.42 3bdm n LEU 180 CO 0.20 -0.06 0.97 0.44 -1.11 0.00 0.00 177.39 177.82 3bdm h ASP 18 N 0.00 0.00 0.00 1.96 3.45 -1.88 -2.35 116.42 117.59 3bdm h ASP 18 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 3bdm h ASP 18 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3bdm h ASP 18 CO 0.00 0.00 -0.39 0.74 -1.57 0.00 0.00 179.24 178.02 3bdm h THR 18 N 0.00 0.21 -0.07 0.35 2.02 -0.86 -3.40 112.91 111.15 3bdm h THR 18 Ca 0.00 -1.21 -0.13 0.00 0.77 0.00 0.00 66.41 65.85 3bdm h THR 18 Cb 1.22 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 3bdm h THR 18 CO 0.00 0.07 -0.52 2.19 0.37 0.00 0.00 175.52 177.63 3bdm h PHE 18 N -1.00 0.25 0.00 3.16 -5.15 -1.19 -2.97 116.94 110.03 3bdm h PHE 18 Ca -0.04 -0.08 0.00 0.00 -0.20 0.00 0.00 57.97 57.65 3bdm h PHE 18 Cb 0.46 -0.05 0.00 0.00 0.22 0.00 0.00 35.95 36.58 3bdm h PHE 18 CO -0.08 0.68 0.02 1.51 -2.00 0.00 0.00 178.31 178.43 3bdm n ILE 18 N -3.93 1.81 -0.39 0.88 0.00 -0.93 -0.61 119.36 116.19 3bdm n ILE 18 Ca -0.02 0.47 0.05 0.00 0.00 0.00 0.00 62.75 63.26 3bdm n ILE 18 Cb 0.55 -1.47 0.14 0.00 0.00 0.00 0.00 39.64 38.87 3bdm n ILE 18 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3bdm n LYS 18 N -1.45 2.79 -2.12 9.51 5.02 -1.12 -3.91 118.16 126.87 3bdm n LYS 18 Ca 0.00 -2.15 -0.42 0.00 -2.02 0.00 0.00 58.31 53.71 3bdm n LYS 18 Cb 0.02 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3bdm n LYS 18 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3bdm n ILE 18 N -0.07 3.78 -3.80 -0.18 5.41 0.22 -4.95 119.36 119.78 3bdm n ILE 18 Ca 0.12 -3.63 -0.36 0.00 1.00 0.00 0.00 62.75 59.87 3bdm n ILE 18 Cb 0.51 -2.50 -0.06 0.00 -0.71 0.00 0.00 39.64 36.89 3bdm n ILE 18 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3bdm s ASP 183 N 3.00 6.48 -1.03 4.38 1.01 -1.26 -4.26 116.67 124.98 3bdm s ASP 183 Ca 0.47 0.55 0.00 0.00 0.71 0.00 0.00 52.55 54.28 3bdm s ASP 183 Cb 0.10 -2.09 0.00 0.00 1.01 0.00 0.00 42.92 41.93 3bdm s ASP 183 CO -0.03 0.34 0.00 0.61 0.21 0.00 0.00 175.17 176.30 3bdm n GLY 184 N 1.60 0.60 3.06 0.21 0.00 -1.26 -4.96 105.19 104.46 3bdm n GLY 184 Ca -0.16 -0.49 -0.03 0.00 0.00 0.00 0.00 46.02 45.34 3bdm n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bdm s ASN 185 N -2.71 -1.10 0.04 1.61 3.04 -1.26 -5.04 114.94 109.52 3bdm s ASN 185 Ca 0.00 -1.08 -0.24 0.00 0.04 0.00 0.00 52.86 51.57 3bdm s ASN 185 Cb 0.00 1.72 -0.17 0.00 -1.54 0.00 0.00 41.25 41.26 3bdm s ASN 185 CO 0.00 -0.16 1.54 1.55 -3.04 0.00 0.00 177.10 176.98 3bdm h PRO 186 N 6.67 0.00 -1.18 0.43 0.13 -1.93 -3.07 132.00 133.06 3bdm h PRO 186 Ca 0.06 -0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.52 3bdm h PRO 186 Cb 1.15 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 3bdm h PRO 186 CO 0.10 0.21 0.81 -0.44 -0.23 0.00 0.00 178.00 178.46 3bdm h ASP 187 N -0.21 0.18 -0.02 1.44 3.32 -1.99 0.15 116.42 119.30 3bdm h ASP 187 Ca 0.00 0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 3bdm h ASP 187 Cb 0.21 0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.79 3bdm h ASP 187 CO -0.00 0.01 -0.62 -0.33 -1.72 0.00 0.00 179.24 176.58 3bdm h GLU 188 N 0.14 0.45 -0.23 3.56 4.39 -1.94 -2.46 114.58 118.48 3bdm h GLU 188 Ca 0.61 -0.46 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 3bdm h GLU 188 Cb 2.09 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.85 3bdm h GLU 188 CO -0.15 1.11 -0.09 1.25 -1.16 0.00 0.00 179.01 179.98 3bdm h LEU 189 N -0.04 0.35 -0.50 1.33 6.46 -0.76 -1.71 115.31 120.44 3bdm h LEU 189 Ca -0.07 -0.07 -0.13 0.00 -0.12 0.00 0.00 57.88 57.48 3bdm h LEU 189 Cb 1.32 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.14 3bdm h LEU 189 CO 0.12 0.48 -0.20 0.40 -0.62 0.00 0.00 178.44 178.62 3bdm h ILE 190 N 0.35 1.27 -0.12 4.05 2.04 -0.91 -1.57 117.51 122.62 3bdm h ILE 190 Ca 0.07 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 3bdm h ILE 190 Cb 0.37 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3bdm h ILE 190 CO 0.02 0.48 0.04 0.11 0.00 0.00 0.00 178.15 178.80 3bdm h LYS 191 N 0.88 0.18 -0.08 2.37 1.57 -0.95 0.22 116.57 120.76 3bdm h LYS 191 Ca 0.12 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3bdm h LYS 191 Cb 0.78 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 3bdm h LYS 191 CO 0.07 0.30 0.09 0.00 -0.57 0.00 0.00 179.45 179.33 3bdm h ALA 192 N 0.87 1.65 0.12 3.86 0.00 -1.27 0.21 119.26 124.70 3bdm h ALA 192 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3bdm h ALA 192 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3bdm h ALA 192 CO -0.00 -0.13 -0.06 0.78 0.00 0.00 0.00 179.25 179.84 3bdm h GLY 193 N 0.00 -0.17 1.10 0.00 0.00 -0.11 -2.51 103.07 101.38 3bdm h GLY 193 Ca 0.04 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.47 3bdm h GLY 193 CO -0.00 -0.06 0.50 -2.08 0.00 0.00 0.00 176.54 174.90 3bdm h VAL 194 N -0.88 1.10 -0.01 4.60 2.07 0.46 -1.86 116.25 121.71 3bdm h VAL 194 Ca -0.02 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3bdm h VAL 194 Cb 0.54 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3bdm h VAL 194 CO 0.03 0.17 0.00 -0.08 0.02 0.00 0.00 177.57 177.70 3bdm h GLU 195 N 0.91 0.03 -0.96 1.57 4.81 -0.72 -1.68 114.58 118.54 3bdm h GLU 195 Ca 0.31 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.63 3bdm h GLU 195 Cb 0.09 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.39 3bdm h GLU 195 CO -0.09 0.30 0.60 0.00 -0.73 0.00 0.00 179.01 179.08 3bdm h ALA 196 N 0.73 1.40 -0.21 2.92 0.00 -0.97 -2.38 119.26 120.75 3bdm h ALA 196 Ca 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 3bdm h ALA 196 Cb 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3bdm h ALA 196 CO 0.00 0.25 -0.62 0.97 0.00 0.00 0.00 179.25 179.85 3bdm h ILE 197 N 0.99 1.30 0.00 0.00 2.10 -1.26 -2.62 117.51 118.02 3bdm h ILE 197 Ca 0.46 -1.84 0.00 0.00 1.08 0.00 0.00 64.86 64.56 3bdm h ILE 197 Cb 0.38 1.79 0.00 0.00 -1.09 0.00 0.00 36.82 37.90 3bdm h ILE 197 CO -0.24 0.59 0.00 -1.54 -1.08 0.00 0.00 178.15 175.88 3bdm n SER 198 N -3.96 0.00 -0.00 2.19 3.41 -0.64 -0.51 113.62 114.11 3bdm n SER 198 Ca -0.05 0.15 0.15 0.00 -0.26 0.00 0.00 58.87 58.86 3bdm n SER 198 Cb 0.66 -0.28 0.76 0.00 -0.26 0.00 0.00 64.21 65.09 3bdm n SER 198 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3bdm n GLN 199 N -1.28 0.42 -0.03 4.33 -0.06 -0.99 -2.97 117.38 116.81 3bdm n GLN 199 Ca 0.04 -0.00 0.02 0.00 -2.00 0.00 0.00 57.00 55.06 3bdm n GLN 199 Cb 0.07 -1.50 0.03 0.00 -4.06 0.00 0.00 30.24 24.78 3bdm n GLN 199 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 3bdm n SER 200 N -1.29 1.93 -3.43 1.69 7.64 0.34 -4.07 113.62 116.43 3bdm n SER 200 Ca 0.14 -1.70 -0.25 0.00 1.01 0.00 0.00 58.87 58.07 3bdm n SER 200 Cb 0.24 -0.04 0.21 0.00 -1.01 0.00 0.00 64.21 63.61 3bdm n SER 200 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3bdm n LEU 201 N -0.07 0.00 0.00 -3.43 4.77 -1.16 -4.80 117.00 112.32 3bdm n LEU 201 Ca 0.03 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 3bdm n LEU 201 Cb 0.23 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 3bdm n LEU 201 CO 0.02 -1.89 0.00 -1.14 -1.33 0.00 0.00 177.39 173.05 3bdm n ARG 202 N -4.20 0.00 -0.07 3.23 0.63 -1.26 -4.99 116.66 110.00 3bdm n ARG 202 Ca 0.13 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 57.00 3bdm n ARG 202 Cb 0.50 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.36 3bdm n ARG 202 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 3bdm h ASP 203 N 0.00 -0.88 -0.40 6.15 3.58 -2.03 -3.46 116.42 119.38 3bdm h ASP 203 Ca 0.00 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.57 3bdm h ASP 203 Cb 0.00 0.36 0.00 0.00 1.72 0.00 0.00 39.33 41.41 3bdm h ASP 203 CO 0.00 -0.18 0.00 -1.84 -2.88 0.00 0.00 179.24 174.34 3bdm n GLU 204 N -3.95 2.34 -4.53 0.28 0.28 -1.26 -5.17 120.64 108.63 3bdm n GLU 204 Ca -0.02 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.75 3bdm n GLU 204 Cb 0.16 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.89 3bdm n GLU 204 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3bdm s SER 206 N 1.00 2.19 0.01 -1.84 0.15 -1.26 -4.90 113.70 109.05 3bdm s SER 206 Ca 0.00 -0.51 -0.30 0.00 0.70 0.00 0.00 55.95 55.84 3bdm s SER 206 Cb 0.00 -0.17 -0.07 0.00 -1.71 0.00 0.00 66.02 64.07 3bdm s SER 206 CO 0.00 0.11 1.61 -1.48 1.20 0.00 0.00 173.24 174.68 3bdm s LEU 207 N -1.19 4.34 0.00 3.45 2.34 -1.26 -5.00 118.68 121.36 3bdm s LEU 207 Ca 0.05 2.33 0.03 0.00 0.06 0.00 0.00 54.13 56.60 3bdm s LEU 207 Cb -0.08 -3.55 0.03 0.00 -0.56 0.00 0.00 46.19 42.02 3bdm s LEU 207 CO 0.02 -0.87 0.23 0.35 -1.06 0.00 0.00 176.35 175.02 3bdm n THR 2 N 5.00 0.00 -0.03 5.48 -2.24 -1.26 -4.93 114.28 116.30 3bdm n THR 2 Ca 0.16 -0.78 -0.16 0.00 -2.27 0.00 0.00 64.05 60.99 3bdm n THR 2 Cb 0.42 -0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 68.03 3bdm n THR 2 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3bdm h VAL 2 N 0.30 1.28 -0.90 2.28 3.04 -1.92 -2.34 116.25 117.99 3bdm h VAL 2 Ca -0.12 -1.92 -0.47 0.00 -1.01 0.00 0.00 66.70 63.18 3bdm h VAL 2 Cb 0.48 1.90 -0.28 0.00 -2.01 0.00 0.00 31.29 31.38 3bdm h VAL 2 CO 0.18 0.61 0.54 -0.90 -1.01 0.00 0.00 177.57 176.99 3bdm n ASP 2 N -3.95 3.68 0.00 3.17 5.68 -1.26 -2.46 116.55 121.42 3bdm n ASP 2 Ca -0.06 -3.65 0.00 0.00 -0.50 0.00 0.00 54.79 50.58 3bdm n ASP 2 Cb 0.72 -0.81 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 3bdm n ASP 2 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3bdm n ASN 2 N -1.14 2.65 -4.87 -1.12 5.15 -1.19 -4.75 115.26 109.98 3bdm n ASN 2 Ca 0.56 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 54.21 3bdm n ASN 2 Cb 1.54 0.23 -0.05 0.00 -0.53 0.00 0.00 39.78 40.97 3bdm n ASN 2 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3bdm s LEU 210 N -2.87 4.21 -0.11 1.20 2.96 -0.88 -0.93 118.68 122.26 3bdm s LEU 210 Ca 0.00 0.90 -0.05 0.00 -0.22 0.00 0.00 54.13 54.77 3bdm s LEU 210 Cb 0.00 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 43.19 3bdm s LEU 210 CO 0.00 -0.03 0.23 -0.55 -1.32 0.00 0.00 176.35 174.69 3bdm s SER 211 N -2.25 0.10 0.05 3.68 0.15 -0.89 -4.30 113.70 110.24 3bdm s SER 211 Ca 0.45 0.51 0.09 0.00 0.70 0.00 0.00 55.95 57.69 3bdm s SER 211 Cb -0.12 0.48 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 3bdm s SER 211 CO 0.21 -0.20 -0.25 -0.63 1.20 0.00 0.00 173.24 173.57 3bdm s ILE 212 N 1.80 2.01 -0.01 6.45 -1.09 -0.65 -0.77 121.20 128.94 3bdm s ILE 212 Ca -0.04 -1.36 0.02 0.00 -2.23 0.00 0.00 60.65 57.05 3bdm s ILE 212 Cb -0.11 -1.73 -0.00 0.00 -1.58 0.00 0.00 42.46 39.04 3bdm s ILE 212 CO -0.08 0.30 -0.07 0.00 -1.23 0.00 0.00 174.94 173.86 3bdm s ALA 213 N -0.82 0.63 -0.02 9.38 0.00 -0.54 0.13 121.76 130.52 3bdm s ALA 213 Ca 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 3bdm s ALA 213 Cb -0.10 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.86 3bdm s ALA 213 CO 0.02 0.14 0.03 -1.50 0.00 0.00 0.00 175.76 174.45 3bdm s ILE 214 N -0.07 -0.03 0.03 0.00 1.10 -0.52 -1.22 121.20 120.49 3bdm s ILE 214 Ca 0.01 0.11 0.01 0.00 -0.51 0.00 0.00 60.65 60.26 3bdm s ILE 214 Cb -0.04 -0.07 -0.02 0.00 0.15 0.00 0.00 42.46 42.48 3bdm s ILE 214 CO -0.00 0.04 -0.04 0.54 -2.11 0.00 0.00 174.94 173.37 3bdm s VAL 215 N 0.54 0.23 -0.95 4.00 0.11 -0.75 -1.30 120.40 122.28 3bdm s VAL 215 Ca -0.04 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 3bdm s VAL 215 Cb -0.06 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 3bdm s VAL 215 CO -0.02 -0.51 0.00 0.61 -3.33 0.00 0.00 175.10 171.86 3bdm n GLY 216 N 1.45 -1.36 0.06 6.54 0.00 -0.11 -1.04 105.19 110.73 3bdm n GLY 216 Ca -0.23 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 44.79 3bdm n GLY 216 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3bdm n LYS 217 N -0.10 -0.06 -0.50 1.61 4.81 -0.72 -0.20 118.16 122.99 3bdm n LYS 217 Ca 0.00 0.36 0.06 0.00 -0.87 0.00 0.00 58.31 57.87 3bdm n LYS 217 Cb 0.00 -0.54 0.20 0.00 0.02 0.00 0.00 35.03 34.71 3bdm n LYS 217 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3bdm n ASP 218 N -3.24 1.91 -4.05 3.14 10.43 -1.26 -4.96 116.55 118.52 3bdm n ASP 218 Ca 0.00 -3.73 -0.32 0.00 2.57 0.00 0.00 54.79 53.32 3bdm n ASP 218 Cb 0.03 -0.52 -0.15 0.00 1.84 0.00 0.00 41.12 42.33 3bdm n ASP 218 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3bdm s THR 219 N -3.16 2.09 0.04 -3.53 2.01 0.72 -5.09 115.64 108.72 3bdm s THR 219 Ca 0.37 -1.63 -0.30 0.00 0.31 0.00 0.00 61.69 60.43 3bdm s THR 219 Cb 0.35 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 3bdm s THR 219 CO -0.04 -0.08 1.24 -2.16 -0.69 0.00 0.00 174.62 172.89 3bdm s PRO 220 N 1.13 4.39 -0.44 4.92 0.04 -1.26 -0.93 135.00 142.85 3bdm s PRO 220 Ca -0.07 1.80 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 3bdm s PRO 220 Cb -0.20 -3.40 -0.14 0.00 0.04 0.00 0.00 34.50 30.80 3bdm s PRO 220 CO -0.05 -0.35 1.60 0.34 0.04 0.00 0.00 177.00 178.57 3bdm n PHE 221 N 4.33 0.71 -4.32 0.56 -0.00 -0.61 -4.81 117.46 113.33 3bdm n PHE 221 Ca 0.10 0.47 -0.25 0.00 -0.00 0.00 0.00 57.45 57.78 3bdm n PHE 221 Cb 0.46 -1.62 -0.13 0.00 -0.00 0.00 0.00 39.48 38.19 3bdm n PHE 221 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3bdm s THR 222 N 4.72 1.77 0.06 -2.13 -4.23 -0.42 -4.94 115.64 110.47 3bdm s THR 222 Ca 0.87 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 59.86 3bdm s THR 222 Cb -1.01 -1.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 3bdm s THR 222 CO 0.43 -0.03 0.00 -0.63 -0.54 0.00 0.00 174.62 173.86 3bdm s ILE 223 N -1.13 4.09 -0.05 2.99 1.01 -1.26 -1.44 121.20 125.40 3bdm s ILE 223 Ca 0.07 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.92 3bdm s ILE 223 Cb -0.10 -2.90 0.01 0.00 0.01 0.00 0.00 42.46 39.48 3bdm s ILE 223 CO 0.04 0.22 -0.13 -0.31 0.00 0.00 0.00 174.94 174.76 3bdm s TYR 224 N -1.23 1.47 0.05 3.97 2.02 0.35 -4.98 117.35 119.01 3bdm s TYR 224 Ca 0.24 -0.49 -0.06 0.00 -0.37 0.00 0.00 57.07 56.39 3bdm s TYR 224 Cb -0.12 -1.05 -0.01 0.00 -0.40 0.00 0.00 41.96 40.39 3bdm s TYR 224 CO 0.15 -0.22 0.11 -0.51 -1.57 0.00 0.00 175.55 173.51 3bdm s ASP 225 N 0.41 0.19 0.66 2.29 1.01 -1.26 -1.64 116.67 118.32 3bdm s ASP 225 Ca -0.10 -0.59 0.00 0.00 0.71 0.00 0.00 52.55 52.57 3bdm s ASP 225 Cb -0.14 0.25 0.00 0.00 1.01 0.00 0.00 42.92 44.05 3bdm s ASP 225 CO 0.03 -0.56 0.00 0.61 0.21 0.00 0.00 175.17 175.46 3bdm n GLY 226 N 0.54 1.22 0.11 0.21 0.00 -1.03 -2.25 105.19 104.01 3bdm n GLY 226 Ca -0.18 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.40 3bdm n GLY 226 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bdm n GLU 227 N 2.44 -0.02 -0.02 1.61 4.71 -1.26 0.23 120.64 128.33 3bdm n GLU 227 Ca 0.00 0.43 0.07 0.00 -0.01 0.00 0.00 57.16 57.65 3bdm n GLU 227 Cb 0.00 -0.79 0.46 0.00 -1.01 0.00 0.00 31.44 30.11 3bdm n GLU 227 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3bdm h ALA 228 N 0.60 1.84 -0.18 0.62 0.00 -1.82 -1.21 119.26 119.11 3bdm h ALA 228 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3bdm h ALA 228 Cb 0.76 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3bdm h ALA 228 CO -0.22 0.10 0.00 1.33 0.00 0.00 0.00 179.25 180.45 3bdm n VAL 229 N -4.48 0.22 0.02 0.00 0.24 0.62 -4.47 118.33 110.49 3bdm n VAL 229 Ca 0.05 -0.46 -0.11 0.00 -2.04 0.00 0.00 64.34 61.78 3bdm n VAL 229 Cb 0.18 0.72 -0.05 0.00 -1.47 0.00 0.00 33.84 33.22 3bdm n VAL 229 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bdm h ALA 230 N 4.32 -0.47 0.00 2.33 0.00 -1.18 -2.31 119.26 121.96 3bdm h ALA 230 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bdm h ALA 230 Cb 0.70 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3bdm h ALA 230 CO 0.00 -0.85 0.00 0.36 0.00 0.00 0.00 179.25 178.76 3bdm n LYS 231 N -5.42 0.08 0.00 0.00 0.00 -1.26 -1.84 118.16 109.72 3bdm n LYS 231 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 3bdm n LYS 231 Cb 0.34 -1.02 0.00 0.00 -0.00 0.00 0.00 35.03 34.35 3bdm n LYS 231 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3bdm n TYR 232 N -0.04 0.00 1.84 5.58 4.02 -0.88 -5.10 117.16 122.58 3bdm n TYR 232 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.04 3bdm n TYR 232 Cb 0.01 0.00 0.81 0.00 -0.02 0.00 0.00 39.34 40.14 3bdm n TYR 232 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96