#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 0.19 -4.13 0.63 -1.26 0.55 116.66 112.64 3bdm n ARG 5 Ca 0.00 0.73 0.04 0.00 -0.92 0.00 0.00 57.85 57.70 3bdm n ARG 5 Cb 0.00 -1.66 0.43 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 0.04 0.17 6.15 -1.24 -2.07 -2.51 115.58 116.12 3bdm h ASN 6 Ca 0.62 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.62 3bdm h ASN 6 Cb 2.46 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 41.49 3bdm h ASN 6 CO -0.04 0.28 -0.09 0.59 -1.29 0.00 0.00 177.43 176.88 3bdm n ASN 7 N -4.24 0.83 -0.14 1.15 5.03 0.19 -4.10 115.26 113.98 3bdm n ASN 7 Ca -0.02 -0.97 0.03 0.00 0.87 0.00 0.00 54.58 54.48 3bdm n ASN 7 Cb 0.30 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.10 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 -0.56 0.00 -0.82 3.10 4.01 -0.97 -4.77 117.16 117.15 3bdm n TYR 8 Ca 0.17 -0.39 0.06 0.00 -0.16 0.00 0.00 57.90 57.57 3bdm n TYR 8 Cb 0.29 -0.06 0.08 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 -0.51 2.00 0.11 7.72 3.85 -1.08 -4.49 116.55 124.16 3bdm n ASP 9 Ca 0.04 -2.63 0.12 0.00 -0.71 0.00 0.00 54.79 51.62 3bdm n ASP 9 Cb 0.52 -0.27 0.46 0.00 -1.35 0.00 0.00 41.12 40.48 3bdm n ASP 9 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bdm n GLY 10 N -1.02 -1.39 3.77 6.12 0.00 -1.26 -4.61 105.19 106.80 3bdm n GLY 10 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3bdm n GLY 10 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3bdm s ASP 11 N -4.21 -0.05 0.00 1.61 1.47 -1.26 -5.04 116.67 109.18 3bdm s ASP 11 Ca 0.07 -0.28 0.28 0.00 1.18 0.00 0.00 52.55 53.79 3bdm s ASP 11 Cb 0.10 0.26 0.98 0.00 -0.34 0.00 0.00 42.92 43.93 3bdm s ASP 11 CO 0.45 -0.51 1.72 0.41 0.68 0.00 0.00 175.17 177.92 3bdm n THR 12 N -0.62 0.00 0.28 2.11 -1.04 -1.26 -3.75 114.28 110.00 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 0.05 0.20 0.00 -1.82 0.00 0.00 70.33 69.36 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 -1.03 1.11 -4.86 12.58 3.14 -1.26 -4.60 118.33 123.41 3bdm n VAL 13 Ca 0.11 -0.65 -0.27 0.00 -2.96 0.00 0.00 64.34 60.58 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 -1.77 1.47 -0.03 1.55 2.01 -1.25 -5.07 115.64 112.56 3bdm s THR 14 Ca 0.27 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 3bdm s THR 14 Cb 0.19 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 3bdm s THR 14 CO 0.11 0.42 0.20 -0.36 -0.69 0.00 0.00 174.62 174.31 3bdm s PHE 15 N 0.08 3.58 0.63 4.92 0.08 -1.26 -4.67 117.98 121.32 3bdm s PHE 15 Ca -0.05 0.48 -0.08 0.00 0.12 0.00 0.00 56.93 57.41 3bdm s PHE 15 Cb -0.12 -1.92 0.01 0.00 -0.57 0.00 0.00 43.02 40.42 3bdm s PHE 15 CO 0.03 0.66 0.97 -1.54 -0.10 0.00 0.00 175.22 175.23 3bdm s SER 16 N -1.62 5.56 0.27 1.36 1.04 0.05 -4.88 113.70 115.48 3bdm s SER 16 Ca 0.24 0.87 0.17 0.00 0.48 0.00 0.00 55.95 57.71 3bdm s SER 16 Cb -0.13 -1.80 0.93 0.00 0.10 0.00 0.00 66.02 65.12 3bdm s SER 16 CO 0.14 -1.15 1.50 -2.65 0.98 0.00 0.00 173.24 172.07 3bdm n PRO 17 N -2.72 0.11 -0.31 4.02 -0.02 -1.26 -0.38 135.00 134.44 3bdm n PRO 17 Ca 0.05 0.60 0.11 0.00 -2.02 0.00 0.00 63.50 62.24 3bdm n PRO 17 Cb 0.57 -1.90 0.28 0.00 -0.02 0.00 0.00 33.50 32.43 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 -2.10 0.91 -2.04 3.45 -2.24 -1.26 -4.95 114.28 106.05 3bdm n THR 18 Ca -0.01 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 3bdm n THR 18 Cb 0.07 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 1.43 0.48 3.73 3.38 0.00 0.49 -5.07 105.19 109.63 3bdm n GLY 19 Ca 0.21 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.09 2.59 -0.48 1.61 0.52 -1.25 -4.81 118.95 113.03 3bdm s ARG 20 Ca 0.00 -1.20 0.04 0.00 -0.52 0.00 0.00 55.73 54.04 3bdm s ARG 20 Cb 0.00 -2.37 0.13 0.00 0.52 0.00 0.00 34.95 33.22 3bdm s ARG 20 CO 0.00 0.40 0.22 -0.51 0.02 0.00 0.00 175.30 175.43 3bdm s LEU 21 N -3.61 4.18 0.11 2.53 1.43 -1.26 -0.77 118.68 121.30 3bdm s LEU 21 Ca 0.31 -2.83 -0.21 0.00 -1.03 0.00 0.00 54.13 50.37 3bdm s LEU 21 Cb -0.08 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.50 3bdm s LEU 21 CO 0.22 -0.26 1.72 -0.26 0.23 0.00 0.00 176.35 178.00 3bdm h PHE 22 N 6.70 -0.08 -0.96 0.29 0.04 -1.84 -1.74 116.94 119.35 3bdm h PHE 22 Ca -0.07 0.01 0.25 0.00 2.80 0.00 0.00 57.97 60.97 3bdm h PHE 22 Cb 0.91 0.05 -0.13 0.00 2.20 0.00 0.00 35.95 38.99 3bdm h PHE 22 CO 0.50 -0.06 0.51 1.96 -0.60 0.00 0.00 178.31 180.62 3bdm h GLN 23 N -0.01 0.44 -0.47 1.51 1.08 -1.81 1.07 115.11 116.91 3bdm h GLN 23 Ca 0.06 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.12 3bdm h GLN 23 Cb 0.10 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3bdm h GLN 23 CO -0.13 0.29 -0.16 0.28 -0.95 0.00 0.00 178.83 178.16 3bdm h VAL 24 N 0.45 1.27 -0.32 -0.54 2.07 -1.79 -2.35 116.25 115.04 3bdm h VAL 24 Ca 0.63 -1.31 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 3bdm h VAL 24 Cb 1.27 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3bdm h VAL 24 CO -0.53 0.45 -0.13 -0.33 0.02 0.00 0.00 177.57 177.05 3bdm h GLU 25 N 0.79 0.56 -0.27 1.57 5.08 0.17 -1.69 114.58 120.79 3bdm h GLU 25 Ca 0.11 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 3bdm h GLU 25 Cb 0.73 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3bdm h GLU 25 CO 0.06 0.68 -0.28 1.88 -1.00 0.00 0.00 179.01 180.34 3bdm h TYR 26 N 0.51 0.61 0.10 4.33 0.05 0.46 -2.26 116.97 120.78 3bdm h TYR 26 Ca 0.09 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 3bdm h TYR 26 Cb 0.53 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.13 3bdm h TYR 26 CO 0.02 0.77 -0.05 0.00 -1.05 0.00 0.00 178.16 177.85 3bdm h ALA 27 N 1.23 -0.14 -0.83 3.88 0.00 -0.85 -1.13 119.26 121.43 3bdm h ALA 27 Ca 0.06 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.14 3bdm h ALA 27 Cb 0.73 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3bdm h ALA 27 CO 0.06 -0.57 0.57 -0.07 0.00 0.00 0.00 179.25 179.24 3bdm h LEU 28 N -0.15 0.21 -0.70 0.00 4.07 -1.03 0.16 115.31 117.87 3bdm h LEU 28 Ca -0.01 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 3bdm h LEU 28 Cb 0.12 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 3bdm h LEU 28 CO 0.02 0.09 0.37 -0.08 -1.08 0.00 0.00 178.44 177.76 3bdm h GLU 29 N 0.22 0.98 -0.70 1.13 4.57 -0.62 -1.99 114.58 118.16 3bdm h GLU 29 Ca 0.41 -0.12 0.19 0.00 -1.18 0.00 0.00 59.36 58.67 3bdm h GLU 29 Cb 1.29 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 3bdm h GLU 29 CO -0.09 0.74 0.50 0.00 -1.18 0.00 0.00 179.01 178.98 3bdm h ALA 30 N 1.18 2.58 -0.09 2.92 0.00 -0.41 -1.06 119.26 124.39 3bdm h ALA 30 Ca 0.24 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3bdm h ALA 30 Cb 0.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3bdm h ALA 30 CO -0.04 -0.78 -0.27 0.82 0.00 0.00 0.00 179.25 178.98 3bdm h ILE 31 N 0.05 1.41 0.00 0.00 2.04 -1.38 -2.88 117.51 116.75 3bdm h ILE 31 Ca 0.34 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 3bdm h ILE 31 Cb 1.26 2.23 -0.00 0.00 -0.74 0.00 0.00 36.82 39.58 3bdm h ILE 31 CO -0.02 0.47 -0.03 0.11 0.00 0.00 0.00 178.15 178.68 3bdm h LYS 32 N -0.14 0.00 0.00 2.37 6.56 -1.12 0.19 116.57 124.44 3bdm h LYS 32 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3bdm h LYS 32 Cb 0.90 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.56 3bdm h LYS 32 CO 0.06 0.03 0.00 0.37 -2.06 0.00 0.00 179.45 177.85 3bdm h GLN 33 N 0.00 0.00 -7.35 3.15 4.15 -1.33 -2.38 115.11 111.36 3bdm h GLN 33 Ca -0.00 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.92 3bdm h GLN 33 Cb 0.05 0.00 0.06 0.00 0.21 0.00 0.00 27.48 27.80 3bdm h GLN 33 CO 0.00 0.00 0.38 0.20 -1.93 0.00 0.00 178.83 177.49 3bdm s GLY 34 N -3.73 1.64 0.40 2.39 0.00 0.67 -4.75 107.32 103.94 3bdm s GLY 34 Ca 0.07 -0.22 -0.27 0.00 0.00 0.00 0.00 44.72 44.30 3bdm s GLY 34 CO 0.55 0.07 1.40 -0.45 0.00 0.00 0.00 173.10 174.67 3bdm s SER 35 N -4.23 6.25 0.59 1.64 0.15 -1.26 0.54 113.70 117.38 3bdm s SER 35 Ca 0.55 2.88 -0.19 0.00 0.70 0.00 0.00 55.95 59.89 3bdm s SER 35 Cb -0.11 -2.65 -0.03 0.00 -1.71 0.00 0.00 66.02 61.51 3bdm s SER 35 CO 0.52 -0.91 1.24 0.54 1.20 0.00 0.00 173.24 175.83 3bdm s VAL 36 N -1.18 2.49 -0.18 4.45 0.11 -1.26 -4.56 120.40 120.27 3bdm s VAL 36 Ca 0.56 0.31 -0.20 0.00 -2.93 0.00 0.00 61.98 59.72 3bdm s VAL 36 Cb -0.43 -3.13 0.05 0.00 -1.53 0.00 0.00 36.38 31.34 3bdm s VAL 36 CO 0.57 -0.06 0.55 0.28 -3.33 0.00 0.00 175.10 173.11 3bdm s THR 37 N -1.52 0.00 0.09 5.04 -1.32 -0.84 -1.65 115.64 115.45 3bdm s THR 37 Ca 0.77 -0.03 0.09 0.00 -1.21 0.00 0.00 61.69 61.30 3bdm s THR 37 Cb -0.33 -0.78 -0.03 0.00 -1.51 0.00 0.00 72.50 69.85 3bdm s THR 37 CO 0.36 -0.02 -0.23 -0.69 -2.21 0.00 0.00 174.62 171.83 3bdm s VAL 38 N 0.05 1.87 -0.01 5.08 1.01 0.35 -2.08 120.40 126.67 3bdm s VAL 38 Ca -0.02 -1.49 0.02 0.00 0.00 0.00 0.00 61.98 60.49 3bdm s VAL 38 Cb -0.04 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 3bdm s VAL 38 CO 0.02 0.08 -0.07 -0.83 0.00 0.00 0.00 175.10 174.30 3bdm s GLY 39 N -1.69 0.35 -0.04 4.51 0.00 0.71 -0.33 107.32 110.83 3bdm s GLY 39 Ca 0.09 -0.29 -0.28 0.00 0.00 0.00 0.00 44.72 44.24 3bdm s GLY 39 CO 0.04 -0.22 0.61 0.48 0.00 0.00 0.00 173.10 174.00 3bdm s LEU 40 N -0.12 -0.37 0.15 0.66 2.34 -0.76 0.35 118.68 120.93 3bdm s LEU 40 Ca 0.02 0.57 -0.01 0.00 0.06 0.00 0.00 54.13 54.78 3bdm s LEU 40 Cb -0.03 2.30 -0.04 0.00 -0.56 0.00 0.00 46.19 47.86 3bdm s LEU 40 CO -0.00 -0.59 0.06 0.00 -1.06 0.00 0.00 176.35 174.76 3bdm s ARG 41 N -1.31 1.00 0.00 1.48 1.70 0.33 -0.09 118.95 122.06 3bdm s ARG 41 Ca -0.11 -1.49 0.00 0.00 -0.47 0.00 0.00 55.73 53.66 3bdm s ARG 41 Cb -0.01 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.54 3bdm s ARG 41 CO 0.08 -0.26 0.00 -1.13 -1.08 0.00 0.00 175.30 172.91 3bdm n SER 42 N -0.15 0.36 -0.21 -2.89 3.41 0.32 -4.28 113.62 110.18 3bdm n SER 42 Ca -0.04 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.68 3bdm n SER 42 Cb 0.64 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.68 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 1.25 -0.00 4.04 3.02 -1.25 -4.43 115.26 117.88 3bdm n ASN 43 Ca 0.00 -1.01 -0.00 0.00 -0.03 0.00 0.00 54.58 53.54 3bdm n ASN 43 Cb 0.00 0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 39.67 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 -0.84 0.05 -4.14 3.41 -2.24 -1.26 -4.39 114.28 104.87 3bdm n THR 44 Ca 0.08 -0.04 -0.09 0.00 -2.27 0.00 0.00 64.05 61.73 3bdm n THR 44 Cb 0.38 -0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.03 0.74 -0.04 4.78 3.76 -1.26 -1.77 115.29 119.46 3bdm s HIS 45 Ca -0.00 -1.00 0.02 0.00 -0.15 0.00 0.00 55.06 53.93 3bdm s HIS 45 Cb 0.00 -0.47 0.01 0.00 1.11 0.00 0.00 32.58 33.24 3bdm s HIS 45 CO 0.04 -0.26 -0.09 0.00 -0.85 0.00 0.00 174.74 173.57 3bdm s ALA 46 N -3.77 0.94 0.14 -1.40 0.00 -0.24 -0.52 121.76 116.92 3bdm s ALA 46 Ca 0.11 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 51.85 3bdm s ALA 46 Cb 0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 3bdm s ALA 46 CO -0.07 0.11 -0.20 0.08 0.00 0.00 0.00 175.76 175.69 3bdm s VAL 47 N 0.45 1.80 -0.01 0.00 1.01 0.87 -1.95 120.40 122.57 3bdm s VAL 47 Ca -0.08 -1.77 0.04 0.00 0.00 0.00 0.00 61.98 60.17 3bdm s VAL 47 Cb -0.12 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 3bdm s VAL 47 CO 0.01 -0.20 -0.13 -0.76 0.00 0.00 0.00 175.10 174.02 3bdm s LEU 48 N -2.35 2.04 -0.04 3.92 1.43 -0.36 -1.83 118.68 121.48 3bdm s LEU 48 Ca 0.12 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3bdm s LEU 48 Cb -0.08 -0.64 0.02 0.00 0.03 0.00 0.00 46.19 45.52 3bdm s LEU 48 CO 0.06 0.14 -0.02 -0.69 0.23 0.00 0.00 176.35 176.07 3bdm s VAL 49 N -0.35 0.38 0.06 -1.59 1.01 0.55 -1.46 120.40 118.99 3bdm s VAL 49 Ca 0.05 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3bdm s VAL 49 Cb -0.05 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 3bdm s VAL 49 CO -0.00 0.20 -0.12 0.00 0.00 0.00 0.00 175.10 175.18 3bdm s ALA 50 N 1.07 0.95 -0.43 5.51 0.00 -0.02 0.13 121.76 128.98 3bdm s ALA 50 Ca -0.09 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 50.85 3bdm s ALA 50 Cb -0.14 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 22.98 3bdm s ALA 50 CO -0.01 0.11 0.32 -1.17 0.00 0.00 0.00 175.76 175.00 3bdm s LEU 51 N -1.59 5.25 0.08 0.00 2.96 -0.66 -2.13 118.68 122.59 3bdm s LEU 51 Ca -0.04 -1.17 -0.30 0.00 -0.22 0.00 0.00 54.13 52.40 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 -0.53 1.01 -0.54 -1.32 0.00 0.00 176.35 174.99 3bdm s LYS 52 N 1.61 4.61 0.22 1.98 1.02 -0.19 -4.56 119.74 124.43 3bdm s LYS 52 Ca 0.04 1.52 0.04 0.00 0.02 0.00 0.00 55.97 57.59 3bdm s LYS 52 Cb -0.22 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.68 3bdm s LYS 52 CO 0.07 0.06 0.35 0.50 -0.92 0.00 0.00 175.35 175.41 3bdm s ARG 53 N 0.35 3.44 0.15 1.68 3.52 -1.26 -4.84 118.95 121.99 3bdm s ARG 53 Ca 0.50 -0.69 0.01 0.00 -0.13 0.00 0.00 55.73 55.43 3bdm s ARG 53 Cb -0.24 -2.90 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 3bdm s ARG 53 CO 0.30 0.44 -0.01 0.54 -0.81 0.00 0.00 175.30 175.76 3bdm s ASN 54 N -3.76 1.07 0.00 -2.12 4.22 -1.26 -2.17 114.94 110.91 3bdm s ASN 54 Ca 0.35 -1.13 0.00 0.00 -2.14 0.00 0.00 52.86 49.93 3bdm s ASN 54 Cb -0.10 0.14 0.00 0.00 1.28 0.00 0.00 41.25 42.57 3bdm s ASN 54 CO 0.29 -0.56 0.00 0.00 -2.04 0.00 0.00 177.10 174.79 3bdm n ALA 55 N -0.17 0.00 -2.22 3.54 0.00 -1.26 -5.02 120.51 115.39 3bdm n ALA 55 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.33 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 -1.62 0.32 -0.45 0.00 9.92 -1.26 -4.99 116.55 118.47 3bdm n ASP 56 Ca 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.31 3bdm n ASP 56 Cb 0.00 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 40.54 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 0.73 0.00 -1.24 4.71 -1.26 -4.05 120.64 119.53 3bdm n GLU 57 Ca 0.00 -1.23 0.09 0.00 -0.01 0.00 0.00 57.16 56.01 3bdm n GLU 57 Cb 0.00 -1.21 -0.09 0.00 -1.01 0.00 0.00 31.44 29.13 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 0.59 0.96 0.00 -4.62 4.32 -1.26 -4.98 117.00 112.01 3bdm n LEU 58 Ca 0.07 -0.53 -0.03 0.00 -0.02 0.00 0.00 56.01 55.50 3bdm n LEU 58 Cb 0.28 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.10 3bdm n LEU 58 CO 0.07 0.23 0.06 -1.54 -1.22 0.00 0.00 177.39 174.99 3bdm n SER 59 N -1.28 0.17 -4.74 -1.43 3.41 -1.26 -5.13 113.62 103.36 3bdm n SER 59 Ca 0.04 -1.14 -0.25 0.00 -0.26 0.00 0.00 58.87 57.27 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 -1.46 4.43 -0.47 4.04 1.04 -1.26 -4.89 113.70 115.14 3bdm s SER 60 Ca 0.07 -1.06 -0.17 0.00 0.48 0.00 0.00 55.95 55.28 3bdm s SER 60 Cb -0.00 -0.49 0.05 0.00 0.10 0.00 0.00 66.02 65.68 3bdm s SER 60 CO 0.05 -0.52 0.46 -0.31 0.98 0.00 0.00 173.24 173.90 3bdm s TYR 63 N -2.59 3.17 0.17 5.02 1.51 -1.26 -4.12 117.35 119.25 3bdm s TYR 63 Ca 0.41 -0.68 -0.33 0.00 -1.01 0.00 0.00 57.07 55.45 3bdm s TYR 63 Cb 0.03 -3.17 -0.15 0.00 -0.11 0.00 0.00 41.96 38.56 3bdm s TYR 63 CO 0.22 -0.83 1.32 0.94 -1.11 0.00 0.00 175.55 176.09 3bdm n GLN 64 N 5.55 1.52 -1.94 -0.62 7.27 -0.92 -4.87 117.38 123.37 3bdm n GLN 64 Ca -0.10 0.54 -0.41 0.00 0.07 0.00 0.00 57.00 57.11 3bdm n GLN 64 Cb 0.45 -2.15 -0.01 0.00 2.41 0.00 0.00 30.24 30.94 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 -0.06 4.22 -0.00 3.69 -2.85 -1.26 -4.41 119.74 119.06 3bdm s LYS 65 Ca 0.75 2.41 0.05 0.00 -1.00 0.00 0.00 55.97 58.18 3bdm s LYS 65 Cb -0.79 -3.01 -0.07 0.00 -2.06 0.00 0.00 37.83 31.89 3bdm s LYS 65 CO 0.49 -0.38 0.17 1.63 0.10 0.00 0.00 175.35 177.35 3bdm n LYS 66 N 0.63 2.34 -4.94 1.78 4.76 -1.26 -4.97 118.16 116.50 3bdm n LYS 66 Ca 0.01 -0.03 -0.32 0.00 -2.87 0.00 0.00 58.31 55.09 3bdm n LYS 66 Cb 0.40 -0.97 -0.15 0.00 -1.84 0.00 0.00 35.03 32.48 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 -2.01 2.79 -0.03 -0.18 1.01 -1.26 0.23 121.20 121.75 3bdm s ILE 67 Ca -0.00 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.90 3bdm s ILE 67 Cb 0.04 -2.11 -0.00 0.00 0.01 0.00 0.00 42.46 40.39 3bdm s ILE 67 CO 0.23 0.56 -0.16 -0.63 0.00 0.00 0.00 174.94 174.93 3bdm s ILE 68 N -0.11 1.33 -0.17 2.92 1.01 0.38 -5.00 121.20 121.56 3bdm s ILE 68 Ca -0.03 -0.68 -0.16 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 0.39 -0.75 0.00 0.00 0.00 174.94 175.01 3bdm s LYS 69 N -0.05 4.23 -0.01 2.79 2.20 -1.26 -1.08 119.74 126.57 3bdm s LYS 69 Ca -0.01 0.24 0.22 0.00 -0.36 0.00 0.00 55.97 56.05 3bdm s LYS 69 Cb -0.10 -3.49 -0.29 0.00 -1.51 0.00 0.00 37.83 32.44 3bdm s LYS 69 CO 0.01 0.07 0.54 0.00 -0.36 0.00 0.00 175.35 175.62 3bdm s ASP 71 N -4.67 0.01 0.41 0.00 3.68 -0.76 -4.46 116.67 110.88 3bdm s ASP 71 Ca -0.07 -0.35 0.29 0.00 2.13 0.00 0.00 52.55 54.55 3bdm s ASP 71 Cb 0.13 0.25 1.31 0.00 -1.45 0.00 0.00 42.92 43.16 3bdm s ASP 71 CO 0.89 -0.50 1.87 -0.33 0.13 0.00 0.00 175.17 177.23 3bdm h GLU 72 N 2.00 0.00 0.00 4.34 4.39 -1.96 -3.07 114.58 120.28 3bdm h GLU 72 Ca -0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.47 3bdm h GLU 72 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3bdm h GLU 72 CO 0.33 0.00 0.00 -2.39 -1.16 0.00 0.00 179.01 175.79 3bdm n HIS 73 N -2.61 0.00 -3.75 4.33 1.44 -1.26 -1.58 115.22 111.80 3bdm n HIS 73 Ca 0.00 -0.31 -0.13 0.00 -2.01 0.00 0.00 57.72 55.26 3bdm n HIS 73 Cb 0.20 -0.03 -0.09 0.00 0.12 0.00 0.00 29.99 30.19 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 -0.63 0.67 0.17 -1.40 -2.45 -1.16 -1.27 119.30 113.23 3bdm s MET 74 Ca 0.00 -0.11 -0.23 0.00 -1.25 0.00 0.00 55.69 54.09 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 1.01 0.20 1.05 0.00 0.00 175.02 177.10 3bdm s GLY 75 N -1.19 -0.04 0.13 2.11 0.00 -0.74 -1.07 107.32 106.52 3bdm s GLY 75 Ca -0.12 -0.12 -0.15 0.00 0.00 0.00 0.00 44.72 44.33 3bdm s GLY 75 CO 0.04 1.25 0.37 0.48 0.00 0.00 0.00 173.10 175.24 3bdm s LEU 76 N -3.19 0.57 0.22 0.66 2.34 -0.24 -1.14 118.68 117.90 3bdm s LEU 76 Ca 0.17 -0.41 0.10 0.00 0.06 0.00 0.00 54.13 54.06 3bdm s LEU 76 Cb -0.02 1.70 -0.04 0.00 -0.56 0.00 0.00 46.19 47.27 3bdm s LEU 76 CO 0.04 -0.85 -0.12 -0.94 -1.06 0.00 0.00 176.35 173.42 3bdm s SER 77 N -2.82 4.03 0.27 1.48 1.04 -0.52 -0.47 113.70 116.71 3bdm s SER 77 Ca 0.04 -0.74 0.07 0.00 0.48 0.00 0.00 55.95 55.80 3bdm s SER 77 Cb 0.02 -0.58 -0.06 0.00 0.10 0.00 0.00 66.02 65.51 3bdm s SER 77 CO -0.11 0.07 -0.09 -1.48 0.98 0.00 0.00 173.24 172.62 3bdm s LEU 78 N -3.14 2.52 -0.25 2.42 0.05 0.13 -1.80 118.68 118.62 3bdm s LEU 78 Ca 0.27 -1.15 -0.03 0.00 0.05 0.00 0.00 54.13 53.27 3bdm s LEU 78 Cb -0.07 -0.69 0.13 0.00 -2.05 0.00 0.00 46.19 43.51 3bdm s LEU 78 CO 0.15 -0.28 0.41 0.00 -0.55 0.00 0.00 176.35 176.09 3bdm s ALA 79 N -2.95 -1.26 0.00 1.48 0.00 -0.95 -4.90 121.76 113.18 3bdm s ALA 79 Ca 0.28 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.37 3bdm s ALA 79 Cb 0.02 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.45 3bdm s ALA 79 CO 0.11 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 175.08 3bdm n GLY 80 N 5.38 0.48 3.57 0.00 0.00 -1.26 -1.26 105.19 112.10 3bdm n GLY 80 Ca -0.04 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 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 3.40 0.26 0.99 1.43 0.38 -4.87 118.68 120.28 3bdm s LEU 81 Ca 0.00 1.01 -0.01 0.00 -1.03 0.00 0.00 54.13 54.10 3bdm s LEU 81 Cb 0.00 -2.94 0.54 0.00 0.03 0.00 0.00 46.19 43.82 3bdm s LEU 81 CO 0.00 -2.26 1.74 0.00 0.23 0.00 0.00 176.35 176.06 3bdm h ALA 82 N 15.53 1.24 -0.87 4.21 0.00 -1.95 -1.29 119.26 136.14 3bdm h ALA 82 Ca -0.30 0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.80 3bdm h ALA 82 Cb 1.20 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 3bdm h ALA 82 CO 1.12 -0.17 0.52 -1.35 0.00 0.00 0.00 179.25 179.37 3bdm h PRO 83 N 0.53 0.88 -0.38 0.00 0.11 -1.99 -1.82 132.00 129.33 3bdm h PRO 83 Ca 0.46 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.45 3bdm h PRO 83 Cb 0.71 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 3bdm h PRO 83 CO -0.40 0.58 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.47 3bdm h ASP 84 N 0.90 0.60 -0.41 -2.05 3.45 -1.63 -1.99 116.42 115.30 3bdm h ASP 84 Ca 0.40 -0.15 -0.03 0.00 0.43 0.00 0.00 57.03 57.68 3bdm h ASP 84 Cb 0.29 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 3bdm h ASP 84 CO -0.22 0.71 0.16 0.00 -1.57 0.00 0.00 179.24 178.32 3bdm h ALA 85 N 1.36 1.40 0.44 3.45 0.00 -1.07 -0.12 119.26 124.72 3bdm h ALA 85 Ca 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3bdm h ALA 85 Cb 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3bdm h ALA 85 CO 0.02 0.45 -0.21 -0.09 0.00 0.00 0.00 179.25 179.42 3bdm h ARG 86 N 0.67 -0.57 -0.44 0.00 2.43 -0.88 0.21 114.38 115.80 3bdm h ARG 86 Ca 0.16 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.45 3bdm h ARG 86 Cb 0.18 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.79 3bdm h ARG 86 CO -0.01 -0.32 -0.03 0.28 -1.51 0.00 0.00 179.97 178.38 3bdm h VAL 87 N -0.72 0.63 -0.19 0.20 2.07 -0.91 0.09 116.25 117.41 3bdm h VAL 87 Ca -0.06 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 3bdm h VAL 87 Cb 0.52 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3bdm h VAL 87 CO 0.10 0.01 -0.20 -0.07 0.02 0.00 0.00 177.57 177.43 3bdm h LEU 88 N 0.08 0.51 -1.12 2.57 3.38 -0.91 -1.88 115.31 117.94 3bdm h LEU 88 Ca 0.22 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 3bdm h LEU 88 Cb 0.33 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3bdm h LEU 88 CO -0.39 0.89 -0.16 0.77 0.09 0.00 0.00 178.44 179.63 3bdm h SER 89 N 0.14 0.42 -0.28 -0.43 4.64 -0.43 -0.21 113.55 117.40 3bdm h SER 89 Ca 0.03 -0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.14 3bdm h SER 89 Cb 0.75 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 3bdm h SER 89 CO 0.05 0.60 -0.17 -1.13 -0.87 0.00 0.00 176.83 175.31 3bdm h ASN 90 N 0.39 0.72 -0.26 4.97 -0.73 -0.94 0.18 115.58 119.92 3bdm h ASN 90 Ca 0.07 -0.24 -0.15 0.00 1.87 0.00 0.00 56.30 57.86 3bdm h ASN 90 Cb 0.52 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.90 3bdm h ASN 90 CO 0.03 0.90 -0.39 0.22 -0.37 0.00 0.00 177.43 177.83 3bdm h TYR 91 N 0.65 0.95 -0.28 0.67 5.03 -0.62 -2.38 116.97 121.00 3bdm h TYR 91 Ca 0.10 -0.28 -0.09 0.00 2.58 0.00 0.00 58.73 61.04 3bdm h TYR 91 Cb 0.65 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 3bdm h TYR 91 CO 0.03 1.06 -0.20 1.25 -1.32 0.00 0.00 178.16 178.98 3bdm h LEU 92 N 0.66 0.50 -0.48 2.82 5.85 -0.55 -2.01 115.31 122.10 3bdm h LEU 92 Ca 0.06 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 3bdm h LEU 92 Cb 0.94 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3bdm h LEU 92 CO 0.09 0.71 0.18 0.03 -0.34 0.00 0.00 178.44 179.11 3bdm h ARG 93 N 0.45 0.72 -0.21 1.25 3.08 -0.36 -1.06 114.38 118.26 3bdm h ARG 93 Ca 0.07 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.00 3bdm h ARG 93 Cb 0.60 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3bdm h ARG 93 CO 0.04 0.66 0.12 1.96 -1.07 0.00 0.00 179.97 181.68 3bdm h GLN 94 N 0.63 0.25 -0.80 0.04 4.20 -1.12 -0.24 115.11 118.08 3bdm h GLN 94 Ca 0.16 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.89 3bdm h GLN 94 Cb 0.21 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 3bdm h GLN 94 CO -0.01 0.16 0.52 1.96 -0.67 0.00 0.00 178.83 180.80 3bdm h GLN 95 N 0.26 0.94 -0.56 1.46 1.08 -1.15 0.55 115.11 117.70 3bdm h GLN 95 Ca 0.08 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 3bdm h GLN 95 Cb -0.00 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.19 3bdm h GLN 95 CO -0.04 0.62 0.03 0.00 -0.95 0.00 0.00 178.83 178.50 3bdm h ASN 97 N 0.84 0.91 -0.79 0.00 -0.00 0.27 -2.76 115.58 114.06 3bdm h ASN 97 Ca 0.16 -0.32 -0.04 0.00 -0.00 0.00 0.00 56.30 56.11 3bdm h ASN 97 Cb 0.49 -0.25 -0.04 0.00 -0.00 0.00 0.00 38.32 38.53 3bdm h ASN 97 CO 0.02 1.01 0.36 0.22 -0.00 0.00 0.00 177.43 179.05 3bdm h TYR 98 N 0.79 1.17 -0.57 0.67 3.20 0.15 -1.32 116.97 121.06 3bdm h TYR 98 Ca 0.14 -0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 3bdm h TYR 98 Cb 0.56 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3bdm h TYR 98 CO 0.04 0.86 0.08 1.03 -1.64 0.00 0.00 178.16 178.53 3bdm h SER 99 N 1.15 0.88 0.48 -2.11 0.87 -1.32 -1.30 113.55 112.20 3bdm h SER 99 Ca 0.27 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3bdm h SER 99 Cb 0.15 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 3bdm h SER 99 CO -0.03 0.90 -0.23 0.28 -0.53 0.00 0.00 176.83 177.22 3bdm h SER 100 N 0.88 -0.54 0.17 6.23 0.02 -1.17 -1.73 113.55 117.41 3bdm h SER 100 Ca 0.18 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3bdm h SER 100 Cb 0.40 0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 3bdm h SER 100 CO 0.01 -0.13 -0.36 -0.07 -1.14 0.00 0.00 176.83 175.14 3bdm h LEU 101 N -1.07 -1.02 -0.00 5.07 3.38 -1.27 0.59 115.31 120.98 3bdm h LEU 101 Ca -0.07 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3bdm h LEU 101 Cb 0.57 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3bdm h LEU 101 CO 0.11 -0.45 -0.01 0.58 0.09 0.00 0.00 178.44 178.75 3bdm h VAL 102 N -0.62 1.49 -0.01 1.22 2.07 -1.36 -3.37 116.25 115.67 3bdm h VAL 102 Ca 0.02 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3bdm h VAL 102 Cb 0.63 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 3bdm h VAL 102 CO -0.18 0.38 -0.24 0.49 0.02 0.00 0.00 177.57 178.05 3bdm n PHE 103 N -4.78 0.00 -3.72 1.57 3.01 -0.72 -4.96 117.46 107.85 3bdm n PHE 103 Ca -0.09 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.14 3bdm n PHE 103 Cb 0.32 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.83 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 0.23 -2.74 -3.95 4.37 4.05 0.21 -4.97 115.26 112.47 3bdm n ASN 104 Ca 0.08 -0.76 -0.16 0.00 0.45 0.00 0.00 54.58 54.18 3bdm n ASN 104 Cb 0.38 -4.21 -0.15 0.00 1.23 0.00 0.00 39.78 37.03 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 -6.13 0.47 0.02 1.20 3.52 -0.82 -4.95 118.95 112.26 3bdm s ARG 105 Ca 0.24 -0.18 -0.30 0.00 -0.13 0.00 0.00 55.73 55.36 3bdm s ARG 105 Cb -0.12 -0.46 -0.04 0.00 -1.56 0.00 0.00 34.95 32.77 3bdm s ARG 105 CO 0.80 0.09 1.03 0.15 -0.81 0.00 0.00 175.30 176.56 3bdm s LYS 106 N 0.01 4.53 0.03 5.12 1.02 -1.26 -2.90 119.74 126.29 3bdm s LYS 106 Ca 0.00 1.51 -0.30 0.00 0.02 0.00 0.00 55.97 57.20 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 -0.10 1.66 -1.17 -0.92 0.00 0.00 175.35 174.83 3bdm s LEU 107 N 1.00 4.36 0.38 3.17 2.96 -1.26 -4.97 118.68 124.32 3bdm s LEU 107 Ca 0.54 2.42 -0.26 0.00 -0.22 0.00 0.00 54.13 56.61 3bdm s LEU 107 Cb -0.23 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.82 3bdm s LEU 107 CO 0.28 -0.90 1.17 0.00 -1.32 0.00 0.00 176.35 175.58 3bdm s ALA 108 N 3.11 3.20 0.22 5.97 0.00 -1.26 -4.87 121.76 128.13 3bdm s ALA 108 Ca 0.74 0.97 -0.08 0.00 0.00 0.00 0.00 51.96 53.59 3bdm s ALA 108 Cb -0.38 -3.38 0.26 0.00 0.00 0.00 0.00 23.12 19.62 3bdm s ALA 108 CO 0.32 -0.49 1.82 0.28 0.00 0.00 0.00 175.76 177.69 3bdm h VAL 109 N 2.44 1.00 -0.82 0.00 2.07 -1.94 0.94 116.25 119.93 3bdm h VAL 109 Ca -0.49 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 66.83 3bdm h VAL 109 Cb 1.23 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3bdm h VAL 109 CO 0.63 0.14 0.54 -0.08 0.02 0.00 0.00 177.57 178.82 3bdm h GLU 110 N 0.76 0.89 0.00 1.57 4.81 -2.00 -0.55 114.58 120.07 3bdm h GLU 110 Ca 0.31 -0.05 -0.26 0.00 -0.13 0.00 0.00 59.36 59.23 3bdm h GLU 110 Cb 0.17 -0.20 0.02 0.00 0.63 0.00 0.00 28.75 29.36 3bdm h GLU 110 CO -0.17 0.59 -1.02 -0.09 -0.73 0.00 0.00 179.01 177.58 3bdm h ARG 111 N 0.91 0.62 -0.64 1.92 2.43 -1.56 -2.38 114.38 115.68 3bdm h ARG 111 Ca 0.35 -0.67 0.06 0.00 -0.81 0.00 0.00 59.98 58.92 3bdm h ARG 111 Cb 0.21 0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 29.89 3bdm h ARG 111 CO -0.12 1.27 0.34 0.00 -1.51 0.00 0.00 179.97 179.94 3bdm h ALA 112 N 0.50 0.86 -0.20 2.80 0.00 -0.17 0.31 119.26 123.35 3bdm h ALA 112 Ca -0.12 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3bdm h ALA 112 Cb 1.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 3bdm h ALA 112 CO 0.19 -0.01 0.05 0.78 0.00 0.00 0.00 179.25 180.26 3bdm h GLY 113 N 0.62 0.23 0.87 0.00 0.00 -1.05 -0.63 103.07 103.12 3bdm h GLY 113 Ca 0.30 -0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.64 3bdm h GLY 113 CO -0.20 0.01 0.65 0.45 0.00 0.00 0.00 176.54 177.45 3bdm h HIS 114 N 0.13 1.23 -0.30 5.60 -0.00 -0.77 -0.04 115.15 121.01 3bdm h HIS 114 Ca 0.09 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 3bdm h HIS 114 Cb 0.08 -0.41 -0.01 0.00 -0.00 0.00 0.00 27.41 27.07 3bdm h HIS 114 CO -0.14 0.71 0.14 -0.07 -0.00 0.00 0.00 177.93 178.57 3bdm h LEU 115 N 1.27 0.39 0.28 2.43 3.38 -0.39 -2.29 115.31 120.37 3bdm h LEU 115 Ca 0.40 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3bdm h LEU 115 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3bdm h LEU 115 CO -0.13 0.42 -0.14 -0.07 0.09 0.00 0.00 178.44 178.61 3bdm h LEU 116 N 0.34 -0.33 -0.44 1.67 3.38 -0.55 -2.14 115.31 117.24 3bdm h LEU 116 Ca 0.10 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.16 3bdm h LEU 116 Cb 0.13 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.87 3bdm h LEU 116 CO -0.01 -0.23 -0.37 0.00 0.09 0.00 0.00 178.44 177.92 3bdm h ASP 118 N -0.26 0.21 -0.18 0.00 3.32 -1.28 -0.52 116.42 117.72 3bdm h ASP 118 Ca 0.17 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 3bdm h ASP 118 Cb 0.56 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3bdm h ASP 118 CO -0.58 0.26 -0.21 0.50 -1.72 0.00 0.00 179.24 177.49 3bdm h LYS 119 N 0.23 0.45 0.06 3.56 3.64 -0.59 -2.99 116.57 120.93 3bdm h LYS 119 Ca 0.06 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3bdm h LYS 119 Cb 0.17 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3bdm h LYS 119 CO 0.00 0.83 -0.03 0.00 -2.27 0.00 0.00 179.45 177.98 3bdm h ALA 120 N 0.62 -0.08 -0.93 5.00 0.00 -0.74 -3.05 119.26 120.08 3bdm h ALA 120 Ca 0.02 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.12 3bdm h ALA 120 Cb 0.76 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.47 3bdm h ALA 120 CO 0.05 -0.54 0.49 0.37 0.00 0.00 0.00 179.25 179.62 3bdm h GLN 121 N -0.08 0.55 -0.37 0.00 -0.00 -1.10 -0.64 115.11 113.47 3bdm h GLN 121 Ca -0.01 -0.03 0.11 0.00 -0.00 0.00 0.00 58.65 58.72 3bdm h GLN 121 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.40 3bdm h GLN 121 CO 0.01 0.36 0.27 0.87 0.00 0.00 0.00 178.83 180.35 3bdm h LYS 122 N 0.57 0.00 -0.62 1.69 1.57 -1.41 -0.64 116.57 117.73 3bdm h LYS 122 Ca 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 3bdm h LYS 122 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 3bdm h LYS 122 CO -0.45 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.52 3bdm n ASN 123 N -4.39 1.95 -0.10 0.86 3.02 -0.25 -3.66 115.26 112.70 3bdm n ASN 123 Ca 0.06 -2.17 0.02 0.00 -0.03 0.00 0.00 54.58 52.45 3bdm n ASN 123 Cb 0.46 -0.40 0.02 0.00 -0.61 0.00 0.00 39.78 39.25 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 0.18 0.61 -0.16 3.41 -2.24 -0.25 -3.63 114.28 112.20 3bdm n THR 124 Ca 0.08 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3bdm n THR 124 Cb 0.40 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.38 1.06 -5.08 -0.78 7.27 -1.24 -4.70 117.38 113.53 3bdm n GLN 125 Ca 0.02 -0.02 -0.32 0.00 0.07 0.00 0.00 57.00 56.76 3bdm n GLN 125 Cb 0.48 -0.20 -0.14 0.00 2.41 0.00 0.00 30.24 32.78 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 3.58 0.71 1.69 0.01 -1.25 -4.90 113.70 113.38 3bdm s SER 126 Ca 0.00 -0.32 -0.16 0.00 1.31 0.00 0.00 55.95 56.78 3bdm s SER 126 Cb 0.00 -0.61 0.03 0.00 0.21 0.00 0.00 66.02 65.65 3bdm s SER 126 CO 0.00 0.33 1.24 -0.47 0.41 0.00 0.00 173.24 174.76 3bdm s TYR 127 N -0.68 2.00 0.00 2.43 5.04 -1.26 -3.23 117.35 121.65 3bdm s TYR 127 Ca 0.11 1.57 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 3bdm s TYR 127 Cb -0.10 -3.57 0.00 0.00 0.35 0.00 0.00 41.96 38.63 3bdm s TYR 127 CO -0.00 -2.81 0.00 0.41 -1.34 0.00 0.00 175.55 171.81 3bdm n GLY 128 N 0.64 2.69 3.93 8.97 0.00 -1.26 -5.03 105.19 115.14 3bdm n GLY 128 Ca 0.15 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3bdm n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bdm s GLY 129 N -1.54 1.82 -0.10 -0.02 0.00 -1.20 -5.10 107.32 101.19 3bdm s GLY 129 Ca 0.00 -1.33 -0.09 0.00 0.00 0.00 0.00 44.72 43.30 3bdm s GLY 129 CO 0.00 -0.49 0.27 1.09 0.00 0.00 0.00 173.10 173.97 3bdm s ARG 130 N -5.96 0.32 1.00 2.90 1.70 -1.25 -4.76 118.95 112.89 3bdm s ARG 130 Ca 0.77 0.36 -0.11 0.00 -0.47 0.00 0.00 55.73 56.28 3bdm s ARG 130 Cb -0.02 0.16 0.19 0.00 -0.57 0.00 0.00 34.95 34.70 3bdm s ARG 130 CO 0.54 -0.04 1.10 -2.14 -1.08 0.00 0.00 175.30 173.68 3bdm s PRO 131 N 0.11 0.38 0.36 3.89 0.02 -1.24 -4.89 135.00 133.64 3bdm s PRO 131 Ca -0.00 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 0.00 -2.96 0.93 0.71 -0.33 0.00 0.00 177.00 175.36 3bdm s TYR 132 N -2.62 3.51 -0.61 6.54 1.51 -1.26 -4.97 117.35 119.45 3bdm s TYR 132 Ca 0.67 1.67 0.01 0.00 -1.01 0.00 0.00 57.07 58.41 3bdm s TYR 132 Cb -0.23 -2.86 0.42 0.00 -0.11 0.00 0.00 41.96 39.18 3bdm s TYR 132 CO 0.60 0.07 1.71 0.41 -1.11 0.00 0.00 175.55 177.24 3bdm n GLY 133 N 0.01 5.90 3.05 0.71 0.00 -1.26 -4.61 105.19 109.00 3bdm n GLY 133 Ca 0.04 -2.51 -0.09 0.00 0.00 0.00 0.00 46.02 43.46 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 -4.98 0.12 0.03 1.61 0.11 -1.26 -0.47 120.40 115.56 3bdm s VAL 134 Ca 0.55 -1.02 0.07 0.00 -2.93 0.00 0.00 61.98 58.65 3bdm s VAL 134 Cb 0.45 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.66 3bdm s VAL 134 CO -0.15 -0.56 -0.19 -0.83 -3.33 0.00 0.00 175.10 170.04 3bdm s GLY 135 N -1.80 1.54 0.03 6.54 0.00 -0.39 -4.00 107.32 109.24 3bdm s GLY 135 Ca -0.10 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.50 3bdm s GLY 135 CO -0.02 -1.04 -0.13 1.08 0.00 0.00 0.00 173.10 172.99 3bdm s LEU 136 N -1.28 2.15 -0.25 0.66 1.43 -0.67 -2.25 118.68 118.47 3bdm s LEU 136 Ca 0.14 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3bdm s LEU 136 Cb -0.10 -0.57 0.04 0.00 0.03 0.00 0.00 46.19 45.59 3bdm s LEU 136 CO 0.04 0.04 -0.10 -0.76 0.23 0.00 0.00 176.35 175.80 3bdm s LEU 137 N -1.01 3.21 -0.17 1.79 1.43 -0.74 0.05 118.68 123.22 3bdm s LEU 137 Ca 0.01 -1.14 -0.06 0.00 -1.03 0.00 0.00 54.13 51.92 3bdm s LEU 137 Cb -0.07 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 3bdm s LEU 137 CO 0.01 -0.15 0.01 -0.63 0.23 0.00 0.00 176.35 175.82 3bdm s ILE 138 N 1.20 4.33 0.24 -0.59 1.01 0.53 -1.44 121.20 126.48 3bdm s ILE 138 Ca -0.04 -0.20 0.11 0.00 0.00 0.00 0.00 60.65 60.52 3bdm s ILE 138 Cb -0.18 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 3bdm s ILE 138 CO -0.06 0.47 -0.15 0.27 0.00 0.00 0.00 174.94 175.47 3bdm s ILE 139 N 0.45 2.78 0.00 2.92 -4.36 -0.29 0.13 121.20 122.83 3bdm s ILE 139 Ca -0.00 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.29 3bdm s ILE 139 Cb -0.13 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.15 3bdm s ILE 139 CO 0.02 -0.28 0.00 0.61 0.24 0.00 0.00 174.94 175.52 3bdm n GLY 140 N -0.38 0.86 3.12 6.27 0.00 -0.88 -1.79 105.19 112.40 3bdm n GLY 140 Ca -0.08 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 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 3.00 0.00 1.61 5.04 -0.40 -0.68 117.35 123.92 3bdm s TYR 141 Ca 0.00 -1.83 0.00 0.00 -2.44 0.00 0.00 57.07 52.80 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 -0.81 0.00 -0.40 -1.34 0.00 0.00 175.55 173.00 3bdm n ASP 142 N 4.57 1.21 0.30 4.32 3.85 -0.18 -4.84 116.55 125.78 3bdm n ASP 142 Ca -0.18 0.00 0.17 0.00 -0.71 0.00 0.00 54.79 54.07 3bdm n ASP 142 Cb 0.47 0.00 0.93 0.00 -1.35 0.00 0.00 41.12 41.16 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 -0.59 0.11 1.57 -1.96 -2.58 116.57 113.11 3bdm h LYS 143 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 3bdm h LYS 143 Cb 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.12 3bdm h LYS 143 CO 0.00 0.04 0.14 -1.13 -0.57 0.00 0.00 179.45 177.93 3bdm n SER 144 N -3.49 3.25 0.00 0.86 3.41 -1.26 -5.07 113.62 111.31 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 0.15 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 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 -1.10 -1.04 3.87 5.00 0.00 -0.97 -4.96 105.19 105.99 3bdm n GLY 145 Ca 0.43 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.70 3.35 0.02 4.61 0.00 -1.26 -1.01 121.76 125.78 3bdm s ALA 146 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 3bdm s ALA 146 Cb 0.00 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.43 3bdm s ALA 146 CO 0.00 0.07 0.22 -1.01 0.00 0.00 0.00 175.76 175.05 3bdm s HIS 147 N -2.28 -0.02 -0.03 0.00 3.76 0.15 -4.96 115.29 111.91 3bdm s HIS 147 Ca 0.52 -0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 55.32 3bdm s HIS 147 Cb -0.10 0.01 0.03 0.00 1.11 0.00 0.00 32.58 33.63 3bdm s HIS 147 CO 0.28 -0.41 0.03 -1.17 -0.85 0.00 0.00 174.74 172.62 3bdm s LEU 148 N -1.80 0.79 0.07 0.89 2.96 -1.26 -2.07 118.68 118.26 3bdm s LEU 148 Ca -0.09 0.02 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 3bdm s LEU 148 Cb -0.03 -0.17 -0.03 0.00 0.50 0.00 0.00 46.19 46.46 3bdm s LEU 148 CO -0.01 -0.16 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.89 3bdm s LEU 149 N 1.45 2.22 -0.19 -0.68 1.02 0.12 -1.90 118.68 120.72 3bdm s LEU 149 Ca -0.04 -0.59 0.00 0.00 0.02 0.00 0.00 54.13 53.52 3bdm s LEU 149 Cb -0.13 -0.94 0.02 0.00 0.02 0.00 0.00 46.19 45.16 3bdm s LEU 149 CO -0.03 0.12 -0.17 -0.70 0.02 0.00 0.00 176.35 175.59 3bdm s GLU 150 N -1.48 3.02 -0.21 1.70 2.12 -0.08 -0.35 118.70 123.42 3bdm s GLU 150 Ca 0.07 -0.82 -0.07 0.00 0.36 0.00 0.00 54.97 54.52 3bdm s GLU 150 Cb -0.09 -2.65 -0.03 0.00 0.26 0.00 0.00 34.13 31.61 3bdm s GLU 150 CO 0.03 -0.22 0.04 0.12 -0.54 0.00 0.00 175.26 174.69 3bdm s PHE 151 N 1.31 3.11 -0.02 5.30 5.36 0.11 -1.41 117.98 131.73 3bdm s PHE 151 Ca 0.05 -0.29 0.04 0.00 -0.96 0.00 0.00 56.93 55.76 3bdm s PHE 151 Cb -0.13 -2.14 -0.03 0.00 -0.34 0.00 0.00 43.02 40.38 3bdm s PHE 151 CO -0.11 -0.18 -0.12 -0.65 -1.46 0.00 0.00 175.22 172.70 3bdm s GLN 152 N 1.06 2.46 0.63 10.12 -1.52 -0.88 -1.67 119.66 129.87 3bdm s GLN 152 Ca 0.03 -0.74 0.25 0.00 -1.95 0.00 0.00 55.36 52.96 3bdm s GLN 152 Cb -0.14 -2.40 1.25 0.00 -0.22 0.00 0.00 33.01 31.50 3bdm s GLN 152 CO 0.03 0.61 1.70 -1.35 -0.25 0.00 0.00 175.29 176.02 3bdm h PRO 153 N 4.98 0.00 -0.54 2.91 0.11 -1.82 0.53 132.00 138.18 3bdm h PRO 153 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3bdm h PRO 153 Cb 1.16 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3bdm h PRO 153 CO 0.51 0.00 0.20 0.66 -0.21 0.00 0.00 178.00 179.16 3bdm h SER 154 N 0.00 0.72 0.00 -2.05 4.64 -1.89 -3.41 113.55 111.56 3bdm h SER 154 Ca 0.15 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3bdm h SER 154 Cb 1.38 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3bdm h SER 154 CO -0.00 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 3bdm n GLY 155 N -1.04 1.32 3.64 -0.77 0.00 0.19 -4.55 105.19 103.97 3bdm n GLY 155 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.37 6.56 -0.16 1.61 0.01 -1.22 -4.42 114.94 115.95 3bdm s ASN 156 Ca 0.00 1.57 -0.02 0.00 -0.71 0.00 0.00 52.86 53.70 3bdm s ASN 156 Cb 0.00 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.11 3bdm s ASN 156 CO 0.00 -1.11 -0.08 -0.69 -1.51 0.00 0.00 177.10 173.71 3bdm s VAL 157 N 4.64 3.34 0.04 1.60 1.01 -1.26 -2.06 120.40 127.70 3bdm s VAL 157 Ca 0.65 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 62.16 3bdm s VAL 157 Cb -0.23 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3bdm s VAL 157 CO 0.26 0.49 -0.20 -0.89 0.00 0.00 0.00 175.10 174.75 3bdm s THR 158 N 0.71 1.59 -0.26 3.92 2.01 -0.50 -4.92 115.64 118.19 3bdm s THR 158 Ca -0.04 -1.13 -0.13 0.00 0.31 0.00 0.00 61.69 60.70 3bdm s THR 158 Cb -0.15 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 3bdm s THR 158 CO 0.02 0.21 0.27 -0.70 -0.69 0.00 0.00 174.62 173.74 3bdm s GLU 159 N -1.08 4.02 0.35 4.92 2.12 -1.26 -0.90 118.70 126.86 3bdm s GLU 159 Ca 0.07 -0.12 0.03 0.00 0.36 0.00 0.00 54.97 55.31 3bdm s GLU 159 Cb -0.09 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 3bdm s GLU 159 CO 0.01 -0.16 0.09 -0.51 -0.54 0.00 0.00 175.26 174.16 3bdm s LEU 160 N 1.70 2.03 0.03 2.70 1.43 -0.80 -5.03 118.68 120.74 3bdm s LEU 160 Ca 0.11 -1.50 0.12 0.00 -1.03 0.00 0.00 54.13 51.84 3bdm s LEU 160 Cb -0.15 -0.22 -0.19 0.00 0.03 0.00 0.00 46.19 45.66 3bdm s LEU 160 CO 0.09 -0.76 0.87 1.88 0.23 0.00 0.00 176.35 178.66 3bdm h TYR 161 N 2.02 0.00 -1.93 0.29 0.05 -1.94 -3.36 116.97 112.10 3bdm h TYR 161 Ca -0.38 0.00 0.22 0.00 0.05 0.00 0.00 58.73 58.62 3bdm h TYR 161 Cb 1.26 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 38.87 3bdm h TYR 161 CO 0.93 0.89 0.64 0.20 -1.05 0.00 0.00 178.16 179.77 3bdm s GLY 162 N -4.93 -0.34 0.00 3.88 0.00 -1.26 -0.51 107.32 104.16 3bdm s GLY 162 Ca -0.03 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.38 3bdm s GLY 162 CO 0.82 0.18 0.00 -0.37 0.00 0.00 0.00 173.10 173.73 3bdm n THR 163 N -0.38 0.00 -3.79 0.90 5.66 0.15 -4.95 114.28 111.88 3bdm n THR 163 Ca -0.06 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.81 3bdm n THR 163 Cb 0.61 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.30 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 -0.64 0.05 1.79 0.00 -1.26 -0.21 121.76 119.49 3bdm s ALA 164 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.11 3bdm s ALA 164 Cb 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 3bdm s ALA 164 CO 0.00 -0.27 -0.04 0.96 0.00 0.00 0.00 175.76 176.41 3bdm s ILE 165 N -1.53 0.31 0.00 0.00 -4.36 -0.88 -4.86 121.20 109.87 3bdm s ILE 165 Ca -0.13 -1.64 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 3bdm s ILE 165 Cb -0.05 -1.28 0.00 0.00 1.25 0.00 0.00 42.46 42.38 3bdm s ILE 165 CO 0.02 -0.86 0.00 0.61 0.24 0.00 0.00 174.94 174.96 3bdm n GLY 166 N 0.41 0.83 3.68 6.27 0.00 -1.26 -1.98 105.19 113.15 3bdm n GLY 166 Ca -0.16 -2.18 -0.46 0.00 0.00 0.00 0.00 46.02 43.22 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 0.25 1.49 -1.78 4.61 0.00 0.19 -1.59 120.51 123.67 3bdm n ALA 167 Ca 0.00 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.68 3bdm n ALA 167 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 16.98 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 4.48 -1.10 0.09 0.00 1.74 -1.26 -4.20 116.66 116.40 3bdm n ARG 168 Ca 0.18 0.90 0.01 0.00 -0.77 0.00 0.00 57.85 58.18 3bdm n ARG 168 Cb 0.31 -5.12 0.33 0.00 -1.02 0.00 0.00 32.46 26.96 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 0.28 -0.72 0.55 4.64 -1.60 -3.01 113.55 113.70 3bdm h SER 169 Ca -0.33 -0.07 0.21 0.00 -0.47 0.00 0.00 61.79 61.13 3bdm h SER 169 Cb 1.09 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 3bdm h SER 169 CO 0.44 0.48 0.56 -0.61 -0.87 0.00 0.00 176.83 176.83 3bdm h GLN 170 N 0.27 0.00 0.38 4.77 5.75 -1.89 -0.97 115.11 123.42 3bdm h GLN 170 Ca 0.05 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3bdm h GLN 170 Cb 0.47 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.03 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 -0.53 0.89 2.39 0.00 -1.75 -1.86 103.07 102.21 3bdm h GLY 171 Ca 0.34 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.83 3bdm h GLY 171 CO -0.00 -0.19 0.05 0.00 0.00 0.00 0.00 176.54 176.40 3bdm h ALA 172 N -0.03 0.39 -0.67 3.60 0.00 -1.34 -2.57 119.26 118.64 3bdm h ALA 172 Ca -0.05 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.78 3bdm h ALA 172 Cb 0.45 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 3bdm h ALA 172 CO 0.08 0.08 0.25 -0.22 0.00 0.00 0.00 179.25 179.44 3bdm h LYS 173 N 0.31 0.40 -0.23 0.00 3.64 -1.21 -0.16 116.57 119.32 3bdm h LYS 173 Ca 0.09 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3bdm h LYS 173 Cb 0.33 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3bdm h LYS 173 CO 0.00 0.27 0.11 1.15 -2.27 0.00 0.00 179.45 178.71 3bdm h THR 174 N 0.41 1.15 -0.83 1.00 2.02 -1.23 0.10 112.91 115.53 3bdm h THR 174 Ca 0.35 -0.42 0.11 0.00 0.77 0.00 0.00 66.41 67.22 3bdm h THR 174 Cb 0.48 1.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.81 3bdm h THR 174 CO -0.35 0.14 0.45 0.22 0.37 0.00 0.00 175.52 176.36 3bdm h TYR 175 N 0.24 0.81 -0.09 3.16 3.20 -0.85 0.34 116.97 123.78 3bdm h TYR 175 Ca 0.08 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3bdm h TYR 175 Cb 0.13 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 3bdm h TYR 175 CO -0.02 0.28 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.66 3bdm h LEU 176 N 0.72 0.21 -2.03 2.82 3.38 -0.75 0.17 115.31 119.83 3bdm h LEU 176 Ca 0.42 -0.43 0.11 0.00 0.09 0.00 0.00 57.88 58.07 3bdm h LEU 176 Cb 0.46 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3bdm h LEU 176 CO -0.29 0.60 0.39 -0.08 0.09 0.00 0.00 178.44 179.15 3bdm h GLU 177 N -0.18 0.00 0.05 1.13 4.81 -0.02 0.36 114.58 120.73 3bdm h GLU 177 Ca 0.02 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.02 3bdm h GLU 177 Cb 0.52 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 3bdm h GLU 177 CO 0.02 0.00 -1.25 -0.09 -0.73 0.00 0.00 179.01 176.96 3bdm h ARG 178 N 0.00 0.10 0.00 1.92 1.12 -0.61 -3.37 114.38 113.55 3bdm h ARG 178 Ca 0.18 -0.18 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 3bdm h ARG 178 Cb 0.97 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.99 3bdm h ARG 178 CO -0.00 1.08 0.00 2.41 -3.11 0.00 0.00 179.97 180.35 3bdm n THR 179 N -4.19 0.10 0.00 0.20 -1.04 0.55 -4.61 114.28 105.29 3bdm n THR 179 Ca -0.27 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 3bdm n THR 179 Cb 0.77 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 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 -1.27 0.00 0.26 -4.42 7.94 0.12 0.09 117.00 119.72 3bdm n LEU 180 Ca 0.13 0.24 0.05 0.00 -1.11 0.00 0.00 56.01 55.33 3bdm n LEU 180 Cb 0.21 -0.03 0.28 0.00 0.53 0.00 0.00 43.42 44.41 3bdm n LEU 180 CO 0.21 -0.03 0.94 0.44 -1.11 0.00 0.00 177.39 177.83 3bdm h ASP 18 N 0.00 0.00 0.00 1.96 3.45 -1.88 -2.26 116.42 117.69 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 -0.41 0.74 -1.57 0.00 0.00 179.24 178.00 3bdm h THR 18 N 0.00 0.18 -0.07 0.35 2.02 -0.69 -3.40 112.91 111.30 3bdm h THR 18 Ca 0.00 -1.19 -0.13 0.00 0.77 0.00 0.00 66.41 65.87 3bdm h THR 18 Cb 1.27 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3bdm h THR 18 CO 0.00 0.06 -0.52 2.19 0.37 0.00 0.00 175.52 177.62 3bdm h PHE 18 N -1.00 0.24 0.00 3.16 -5.15 -1.19 -2.91 116.94 110.09 3bdm h PHE 18 Ca -0.04 -0.08 0.00 0.00 -0.20 0.00 0.00 57.97 57.66 3bdm h PHE 18 Cb 0.46 -0.05 0.00 0.00 0.22 0.00 0.00 35.95 36.59 3bdm h PHE 18 CO -0.10 0.67 0.01 1.51 -2.00 0.00 0.00 178.31 178.41 3bdm n ILE 18 N -3.93 1.74 -0.38 0.88 0.00 -0.92 -0.68 119.36 116.06 3bdm n ILE 18 Ca -0.02 0.45 0.05 0.00 0.00 0.00 0.00 62.75 63.23 3bdm n ILE 18 Cb 0.55 -1.45 0.14 0.00 0.00 0.00 0.00 39.64 38.89 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 -1.43 2.78 -2.08 9.51 5.02 -1.10 -3.92 118.16 126.94 3bdm n LYS 18 Ca 0.00 -2.14 -0.42 0.00 -2.02 0.00 0.00 58.31 53.73 3bdm n LYS 18 Cb 0.01 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 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 -0.08 3.77 -3.77 -0.18 2.08 0.14 -4.94 119.36 116.37 3bdm n ILE 18 Ca 0.11 -3.59 -0.36 0.00 0.56 0.00 0.00 62.75 59.47 3bdm n ILE 18 Cb 0.50 -2.50 -0.06 0.00 -0.75 0.00 0.00 39.64 36.83 3bdm n ILE 18 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 3bdm s ASP 183 N 2.92 6.50 -1.13 4.38 1.01 -1.26 -4.28 116.67 124.81 3bdm s ASP 183 Ca 0.47 0.58 0.00 0.00 0.71 0.00 0.00 52.55 54.30 3bdm s ASP 183 Cb 0.10 -2.10 0.00 0.00 1.01 0.00 0.00 42.92 41.93 3bdm s ASP 183 CO -0.03 0.32 0.00 0.61 0.21 0.00 0.00 175.17 176.28 3bdm n GLY 184 N 1.54 0.41 3.07 0.21 0.00 -1.26 -4.96 105.19 104.21 3bdm n GLY 184 Ca -0.15 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.61 -1.34 0.05 1.61 3.04 -1.26 -5.04 114.94 109.38 3bdm s ASN 185 Ca 0.00 -1.07 -0.24 0.00 0.04 0.00 0.00 52.86 51.59 3bdm s ASN 185 Cb 0.00 1.85 -0.17 0.00 -1.54 0.00 0.00 41.25 41.39 3bdm s ASN 185 CO 0.00 -0.15 1.56 1.55 -3.04 0.00 0.00 177.10 177.02 3bdm h PRO 186 N 6.53 -0.04 -1.20 0.43 0.13 -1.93 -3.05 132.00 132.88 3bdm h PRO 186 Ca 0.05 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 65.53 3bdm h PRO 186 Cb 1.15 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 3bdm h PRO 186 CO 0.09 0.15 0.82 -0.44 -0.23 0.00 0.00 178.00 178.39 3bdm h ASP 187 N -0.22 0.18 -0.02 1.44 3.32 -1.99 0.19 116.42 119.33 3bdm h ASP 187 Ca -0.00 0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 3bdm h ASP 187 Cb 0.20 0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.79 3bdm h ASP 187 CO 0.01 0.01 -0.67 -0.33 -1.72 0.00 0.00 179.24 176.53 3bdm h GLU 188 N 0.14 0.49 -0.25 3.56 4.39 -1.94 -2.54 114.58 118.43 3bdm h GLU 188 Ca 0.63 -0.50 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 3bdm h GLU 188 Cb 2.14 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 30.91 3bdm h GLU 188 CO -0.16 1.14 -0.10 1.25 -1.16 0.00 0.00 179.01 179.98 3bdm h LEU 189 N 0.04 0.38 -0.63 1.33 6.46 -0.68 -1.75 115.31 120.46 3bdm h LEU 189 Ca -0.08 -0.08 -0.12 0.00 -0.12 0.00 0.00 57.88 57.47 3bdm h LEU 189 Cb 1.36 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.17 3bdm h LEU 189 CO 0.13 0.52 -0.24 0.40 -0.62 0.00 0.00 178.44 178.64 3bdm h ILE 190 N 0.38 1.27 -0.10 4.05 2.04 -0.84 -1.68 117.51 122.64 3bdm h ILE 190 Ca 0.08 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 3bdm h ILE 190 Cb 0.41 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3bdm h ILE 190 CO 0.02 0.46 0.02 0.11 0.00 0.00 0.00 178.15 178.76 3bdm h LYS 191 N 0.71 0.16 -0.08 2.37 1.57 -0.99 0.19 116.57 120.50 3bdm h LYS 191 Ca 0.09 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3bdm h LYS 191 Cb 0.77 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 3bdm h LYS 191 CO 0.06 0.37 0.10 0.00 -0.57 0.00 0.00 179.45 179.41 3bdm h ALA 192 N 0.78 1.58 0.11 3.86 0.00 -1.27 0.24 119.26 124.56 3bdm h ALA 192 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3bdm h ALA 192 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3bdm h ALA 192 CO 0.00 -0.14 -0.05 0.78 0.00 0.00 0.00 179.25 179.84 3bdm h GLY 193 N 0.00 -0.16 1.12 0.00 0.00 -0.24 -2.55 103.07 101.25 3bdm h GLY 193 Ca 0.04 0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.46 3bdm h GLY 193 CO -0.00 -0.06 0.51 -2.08 0.00 0.00 0.00 176.54 174.92 3bdm h VAL 194 N -0.89 1.13 0.10 4.60 2.07 0.45 -1.90 116.25 121.80 3bdm h VAL 194 Ca -0.02 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 3bdm h VAL 194 Cb 0.54 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3bdm h VAL 194 CO 0.03 0.18 -0.05 -0.08 0.02 0.00 0.00 177.57 177.66 3bdm h GLU 195 N 0.96 -0.13 -0.93 1.57 4.81 -0.66 -1.62 114.58 118.57 3bdm h GLU 195 Ca 0.31 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.67 3bdm h GLU 195 Cb 0.04 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.36 3bdm h GLU 195 CO -0.09 0.10 0.56 0.00 -0.73 0.00 0.00 179.01 178.85 3bdm h ALA 196 N 0.52 1.41 -0.20 2.92 0.00 -1.01 -2.19 119.26 120.70 3bdm h ALA 196 Ca -0.01 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 3bdm h ALA 196 Cb 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3bdm h ALA 196 CO 0.02 0.12 -0.61 0.97 0.00 0.00 0.00 179.25 179.75 3bdm h ILE 197 N 0.86 1.30 0.00 0.00 2.10 -1.25 -2.61 117.51 117.92 3bdm h ILE 197 Ca 0.48 -1.85 0.00 0.00 1.08 0.00 0.00 64.86 64.57 3bdm h ILE 197 Cb 0.52 1.80 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 3bdm h ILE 197 CO -0.29 0.58 0.00 -1.54 -1.08 0.00 0.00 178.15 175.83 3bdm n SER 198 N -3.96 0.00 0.00 2.19 3.41 -0.62 -0.65 113.62 113.99 3bdm n SER 198 Ca -0.05 0.20 0.14 0.00 -0.26 0.00 0.00 58.87 58.91 3bdm n SER 198 Cb 0.65 -0.31 0.74 0.00 -0.26 0.00 0.00 64.21 65.03 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 -1.31 0.40 -0.04 4.33 -0.06 -0.98 -2.91 117.38 116.81 3bdm n GLN 199 Ca 0.04 0.01 0.02 0.00 -2.00 0.00 0.00 57.00 55.06 3bdm n GLN 199 Cb 0.07 -1.50 0.04 0.00 -4.06 0.00 0.00 30.24 24.79 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 2.01 -3.40 1.69 7.64 0.17 -4.09 113.62 116.35 3bdm n SER 200 Ca 0.14 -1.75 -0.24 0.00 1.01 0.00 0.00 58.87 58.03 3bdm n SER 200 Cb 0.24 -0.05 0.20 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.05 0.00 0.00 -3.43 4.77 -1.15 -4.80 117.00 112.34 3bdm n LEU 201 Ca 0.03 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 3bdm n LEU 201 Cb 0.24 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 3bdm n LEU 201 CO 0.03 -1.80 0.00 -1.14 -1.33 0.00 0.00 177.39 173.15 3bdm n ARG 202 N -4.01 0.00 -0.06 3.23 0.63 -1.26 -4.99 116.66 110.20 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 0.48 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.34 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 -0.80 -0.39 6.15 3.58 -2.03 -3.46 116.42 119.47 3bdm h ASP 203 Ca 0.00 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.56 3bdm h ASP 203 Cb 0.00 0.33 0.00 0.00 1.72 0.00 0.00 39.33 41.38 3bdm h ASP 203 CO 0.00 -0.17 0.00 -1.84 -2.88 0.00 0.00 179.24 174.35 3bdm n GLU 204 N -3.84 2.46 -4.51 0.28 0.28 -1.26 -5.17 120.64 108.88 3bdm n GLU 204 Ca -0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.76 3bdm n GLU 204 Cb 0.14 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.88 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 2.09 0.01 -1.84 0.15 -1.26 -4.90 113.70 108.95 3bdm s SER 206 Ca 0.00 -0.49 -0.30 0.00 0.70 0.00 0.00 55.95 55.86 3bdm s SER 206 Cb 0.00 -0.16 -0.07 0.00 -1.71 0.00 0.00 66.02 64.08 3bdm s SER 206 CO 0.00 0.10 1.60 -1.48 1.20 0.00 0.00 173.24 174.67 3bdm s LEU 207 N -1.14 4.34 0.00 3.45 2.34 -1.26 -5.00 118.68 121.41 3bdm s LEU 207 Ca 0.05 2.32 0.03 0.00 0.06 0.00 0.00 54.13 56.58 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 0.01 -0.87 0.21 0.35 -1.06 0.00 0.00 176.35 175.00 3bdm n THR 2 N 4.99 0.00 -0.00 5.48 -2.24 -1.26 -4.93 114.28 116.32 3bdm n THR 2 Ca 0.16 -0.69 -0.17 0.00 -2.27 0.00 0.00 64.05 61.08 3bdm n THR 2 Cb 0.42 -0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 67.97 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 0.27 1.29 -0.89 2.28 3.04 -1.92 -2.26 116.25 118.06 3bdm h VAL 2 Ca -0.10 -2.04 -0.45 0.00 -1.01 0.00 0.00 66.70 63.09 3bdm h VAL 2 Cb 0.42 2.07 -0.27 0.00 -2.01 0.00 0.00 31.29 31.50 3bdm h VAL 2 CO 0.15 0.64 0.52 -0.90 -1.01 0.00 0.00 177.57 176.98 3bdm n ASP 2 N -3.91 3.59 0.00 3.17 5.68 -1.26 -2.47 116.55 121.36 3bdm n ASP 2 Ca -0.08 -3.62 0.00 0.00 -0.50 0.00 0.00 54.79 50.59 3bdm n ASP 2 Cb 0.77 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 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 -1.10 2.76 -4.88 -1.12 5.15 -1.20 -4.76 115.26 110.12 3bdm n ASN 2 Ca 0.55 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 54.21 3bdm n ASN 2 Cb 1.56 0.24 -0.05 0.00 -0.53 0.00 0.00 39.78 41.01 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 -2.92 4.14 -0.12 1.20 2.96 -0.85 -1.02 118.68 122.07 3bdm s LEU 210 Ca 0.00 0.92 -0.05 0.00 -0.22 0.00 0.00 54.13 54.78 3bdm s LEU 210 Cb 0.00 -3.70 0.06 0.00 0.50 0.00 0.00 46.19 43.05 3bdm s LEU 210 CO 0.00 -0.10 0.26 -0.55 -1.32 0.00 0.00 176.35 174.64 3bdm s SER 211 N -2.46 0.04 0.05 3.68 0.15 -0.90 -4.29 113.70 109.96 3bdm s SER 211 Ca 0.47 0.57 0.09 0.00 0.70 0.00 0.00 55.95 57.79 3bdm s SER 211 Cb -0.11 0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 64.74 3bdm s SER 211 CO 0.22 -0.20 -0.25 -0.63 1.20 0.00 0.00 173.24 173.57 3bdm s ILE 212 N 1.86 2.05 -0.01 6.45 -1.09 -0.59 -0.84 121.20 129.04 3bdm s ILE 212 Ca -0.04 -1.35 0.02 0.00 -2.23 0.00 0.00 60.65 57.05 3bdm s ILE 212 Cb -0.11 -1.76 -0.01 0.00 -1.58 0.00 0.00 42.46 39.01 3bdm s ILE 212 CO -0.09 0.34 -0.08 0.00 -1.23 0.00 0.00 174.94 173.88 3bdm s ALA 213 N -0.80 0.66 -0.02 9.38 0.00 -0.54 0.12 121.76 130.56 3bdm s ALA 213 Ca 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 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 0.16 0.05 -1.50 0.00 0.00 0.00 175.76 174.49 3bdm s ILE 214 N -0.14 -0.03 0.03 0.00 -1.16 -0.56 -1.22 121.20 118.11 3bdm s ILE 214 Ca 0.02 0.11 0.00 0.00 -0.51 0.00 0.00 60.65 60.28 3bdm s ILE 214 Cb -0.04 -0.10 -0.02 0.00 0.61 0.00 0.00 42.46 42.92 3bdm s ILE 214 CO -0.00 0.04 -0.04 0.54 -2.81 0.00 0.00 174.94 172.67 3bdm s VAL 215 N 0.58 0.24 -0.81 4.00 0.11 -0.82 -1.28 120.40 122.41 3bdm s VAL 215 Ca -0.05 -1.05 0.00 0.00 -2.93 0.00 0.00 61.98 57.96 3bdm s VAL 215 Cb -0.07 -0.48 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 3bdm s VAL 215 CO -0.02 -0.52 0.00 0.61 -3.33 0.00 0.00 175.10 171.84 3bdm n GLY 216 N 1.41 -1.33 0.06 6.54 0.00 -0.10 -1.08 105.19 110.68 3bdm n GLY 216 Ca -0.23 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.09 -0.06 -0.49 1.61 4.81 -0.73 -0.17 118.16 123.04 3bdm n LYS 217 Ca 0.00 0.38 0.06 0.00 -0.87 0.00 0.00 58.31 57.88 3bdm n LYS 217 Cb 0.00 -0.57 0.19 0.00 0.02 0.00 0.00 35.03 34.67 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 -3.19 2.07 -4.08 3.14 10.43 -1.26 -4.96 116.55 118.70 3bdm n ASP 218 Ca 0.00 -3.65 -0.32 0.00 2.57 0.00 0.00 54.79 53.39 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 -3.13 2.31 0.07 -3.53 2.01 0.75 -5.09 115.64 109.04 3bdm s THR 219 Ca 0.38 -1.73 -0.31 0.00 0.31 0.00 0.00 61.69 60.34 3bdm s THR 219 Cb 0.35 -2.42 -0.06 0.00 0.01 0.00 0.00 72.50 70.38 3bdm s THR 219 CO -0.03 -0.14 1.26 -2.16 -0.69 0.00 0.00 174.62 172.86 3bdm s PRO 220 N 1.09 4.39 -0.50 4.92 0.04 -1.26 -0.93 135.00 142.75 3bdm s PRO 220 Ca -0.05 1.87 -0.32 0.00 0.04 0.00 0.00 61.00 62.53 3bdm s PRO 220 Cb -0.20 -3.33 -0.16 0.00 0.04 0.00 0.00 34.50 30.86 3bdm s PRO 220 CO -0.05 -0.32 1.82 0.34 0.04 0.00 0.00 177.00 178.83 3bdm n PHE 221 N 4.00 0.79 -4.44 0.56 -0.00 -0.61 -4.80 117.46 112.96 3bdm n PHE 221 Ca 0.10 0.53 -0.26 0.00 -0.00 0.00 0.00 57.45 57.82 3bdm n PHE 221 Cb 0.45 -1.84 -0.13 0.00 -0.00 0.00 0.00 39.48 37.96 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 5.41 1.82 0.03 -2.13 -4.23 -0.40 -4.94 115.64 111.20 3bdm s THR 222 Ca 0.99 -1.47 0.02 0.00 -1.18 0.00 0.00 61.69 60.04 3bdm s THR 222 Cb -1.14 -1.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 3bdm s THR 222 CO 0.49 0.07 0.04 -0.63 -0.54 0.00 0.00 174.62 174.05 3bdm s ILE 223 N -1.02 4.40 -0.06 2.99 1.01 -1.26 -1.50 121.20 125.76 3bdm s ILE 223 Ca 0.08 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.13 3bdm s ILE 223 Cb -0.10 -3.03 0.01 0.00 0.01 0.00 0.00 42.46 39.35 3bdm s ILE 223 CO 0.04 0.27 -0.15 -0.31 0.00 0.00 0.00 174.94 174.79 3bdm s TYR 224 N -1.22 1.61 0.05 3.97 2.02 0.32 -4.98 117.35 119.12 3bdm s TYR 224 Ca 0.24 -0.55 -0.06 0.00 -0.37 0.00 0.00 57.07 56.33 3bdm s TYR 224 Cb -0.12 -1.13 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 3bdm s TYR 224 CO 0.15 -0.24 0.10 -0.51 -1.57 0.00 0.00 175.55 173.48 3bdm s ASP 225 N 0.40 0.21 0.64 2.29 1.01 -1.26 -1.54 116.67 118.42 3bdm s ASP 225 Ca -0.11 -0.63 0.00 0.00 0.71 0.00 0.00 52.55 52.53 3bdm s ASP 225 Cb -0.14 0.25 0.00 0.00 1.01 0.00 0.00 42.92 44.04 3bdm s ASP 225 CO 0.04 -0.57 0.00 0.61 0.21 0.00 0.00 175.17 175.45 3bdm n GLY 226 N 0.48 1.16 0.13 0.21 0.00 -1.03 -2.23 105.19 103.91 3bdm n GLY 226 Ca -0.17 -0.56 0.12 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 1.86 -0.02 -0.01 1.61 4.71 -1.26 0.23 120.64 127.75 3bdm n GLU 227 Ca 0.00 0.44 0.06 0.00 -0.01 0.00 0.00 57.16 57.66 3bdm n GLU 227 Cb 0.00 -0.83 0.46 0.00 -1.01 0.00 0.00 31.44 30.06 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 0.61 1.81 -0.16 0.62 0.00 -1.82 -1.38 119.26 118.94 3bdm h ALA 228 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3bdm h ALA 228 Cb 0.83 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3bdm h ALA 228 CO -0.22 0.14 0.00 1.33 0.00 0.00 0.00 179.25 180.50 3bdm n VAL 229 N -4.48 0.19 0.00 0.00 0.24 0.62 -4.46 118.33 110.45 3bdm n VAL 229 Ca 0.05 -0.45 -0.11 0.00 -2.04 0.00 0.00 64.34 61.78 3bdm n VAL 229 Cb 0.15 0.77 -0.05 0.00 -1.47 0.00 0.00 33.84 33.24 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 4.36 -0.45 0.00 2.33 0.00 -1.22 -2.16 119.26 122.13 3bdm h ALA 230 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3bdm h ALA 230 Cb 0.71 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3bdm h ALA 230 CO 0.00 -0.84 0.00 0.36 0.00 0.00 0.00 179.25 178.77 3bdm n LYS 231 N -5.42 0.07 0.00 0.00 0.00 -1.26 -1.83 118.16 109.72 3bdm n LYS 231 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 3bdm n LYS 231 Cb 0.34 -1.02 0.00 0.00 -0.00 0.00 0.00 35.03 34.36 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 -0.08 0.00 1.89 5.58 4.02 -0.82 -5.11 117.16 122.65 3bdm n TYR 232 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.05 3bdm n TYR 232 Cb 0.01 0.00 0.86 0.00 -0.02 0.00 0.00 39.34 40.19 3bdm n TYR 232 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96