#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm s TYR 8 N 0.00 3.05 0.00 1.61 5.04 -1.26 -4.90 117.35 120.89 3bdm s TYR 8 Ca 0.00 0.89 0.13 0.00 -2.44 0.00 0.00 57.07 55.65 3bdm s TYR 8 Cb 0.00 -3.67 0.22 0.00 0.35 0.00 0.00 41.96 38.86 3bdm s TYR 8 CO 0.00 -2.39 1.05 -0.40 -1.34 0.00 0.00 175.55 172.47 3bdm n ASP 9 N 4.64 0.39 -4.69 4.32 5.75 -1.26 -4.37 116.55 121.33 3bdm n ASP 9 Ca 0.12 -1.93 -0.44 0.00 -0.01 0.00 0.00 54.79 52.53 3bdm n ASP 9 Cb 0.43 -0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 40.31 3bdm n ASP 9 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3bdm n ARG 10 N 0.25 2.27 -2.40 0.11 0.00 -1.26 -3.62 116.66 112.01 3bdm n ARG 10 Ca -0.00 0.81 -0.41 0.00 -0.00 0.00 0.00 57.85 58.25 3bdm n ARG 10 Cb 0.91 -2.52 -0.03 0.00 0.00 0.00 0.00 32.46 30.82 3bdm n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3bdm s ALA 11 N 0.12 2.76 -0.08 5.13 0.00 -1.26 -0.42 121.76 128.01 3bdm s ALA 11 Ca 0.68 -0.80 0.14 0.00 0.00 0.00 0.00 51.96 51.99 3bdm s ALA 11 Cb -0.60 -4.14 -0.18 0.00 0.00 0.00 0.00 23.12 18.20 3bdm s ALA 11 CO 0.47 -3.05 0.77 -0.07 0.00 0.00 0.00 175.76 173.88 3bdm h LEU 12 N 13.27 0.00 -8.02 0.00 3.38 -1.87 -3.43 115.31 118.65 3bdm h LEU 12 Ca -0.27 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 56.97 3bdm h LEU 12 Cb 1.09 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.56 3bdm h LEU 12 CO 1.20 0.80 -0.39 -0.44 0.09 0.00 0.00 178.44 179.70 3bdm s SER 13 N -5.97 5.76 0.22 -0.43 0.01 -1.26 -4.67 113.70 107.36 3bdm s SER 13 Ca -0.04 -1.79 0.02 0.00 1.31 0.00 0.00 55.95 55.45 3bdm s SER 13 Cb 0.08 -2.03 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 3bdm s SER 13 CO 0.82 -0.68 0.05 0.27 0.41 0.00 0.00 173.24 174.11 3bdm s ILE 14 N 1.41 0.66 0.42 1.44 -4.36 -1.26 -4.81 121.20 114.70 3bdm s ILE 14 Ca 0.05 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.22 3bdm s ILE 14 Cb -0.26 -2.41 -0.09 0.00 1.25 0.00 0.00 42.46 40.95 3bdm s ILE 14 CO 0.01 -0.22 1.01 -0.36 0.24 0.00 0.00 174.94 175.62 3bdm s PHE 15 N -3.68 3.25 0.35 1.37 0.08 -1.26 -4.19 117.98 113.89 3bdm s PHE 15 Ca 0.32 1.63 0.08 0.00 0.12 0.00 0.00 56.93 59.08 3bdm s PHE 15 Cb 0.07 -3.02 -0.05 0.00 -0.57 0.00 0.00 43.02 39.45 3bdm s PHE 15 CO 0.09 -0.46 0.08 -1.54 -0.10 0.00 0.00 175.22 173.30 3bdm s SER 16 N -1.85 4.38 0.34 1.36 1.04 -0.83 -4.94 113.70 113.20 3bdm s SER 16 Ca 0.61 -0.93 0.13 0.00 0.48 0.00 0.00 55.95 56.23 3bdm s SER 16 Cb -0.17 -0.59 1.07 0.00 0.10 0.00 0.00 66.02 66.43 3bdm s SER 16 CO 0.21 -0.31 1.62 -0.65 0.98 0.00 0.00 173.24 175.10 3bdm h PRO 17 N 1.66 0.16 -0.05 4.02 0.11 -1.98 0.29 132.00 136.21 3bdm h PRO 17 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3bdm h PRO 17 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3bdm h PRO 17 CO 0.66 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 3bdm n ASP 18 N -5.20 0.36 -1.38 -2.05 5.75 -1.26 -4.89 116.55 107.88 3bdm n ASP 18 Ca 0.31 -1.70 -0.06 0.00 -0.01 0.00 0.00 54.79 53.33 3bdm n ASP 18 Cb 1.01 -0.03 0.02 0.00 -1.03 0.00 0.00 41.12 41.09 3bdm n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bdm n GLY 19 N 0.76 0.52 3.31 6.12 0.00 0.10 -5.06 105.19 110.94 3bdm n GLY 19 Ca 0.09 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 3bdm n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bdm s HIS 20 N -3.09 2.01 -0.57 1.61 3.76 -1.25 -4.89 115.29 112.87 3bdm s HIS 20 Ca 0.15 -0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 54.55 3bdm s HIS 20 Cb -0.07 -1.14 0.15 0.00 1.11 0.00 0.00 32.58 32.63 3bdm s HIS 20 CO 0.20 0.20 0.48 0.42 -0.85 0.00 0.00 174.74 175.19 3bdm s ILE 21 N -0.99 4.75 0.21 0.60 -1.09 -1.26 -1.98 121.20 121.44 3bdm s ILE 21 Ca 0.09 -1.93 -0.09 0.00 -2.23 0.00 0.00 60.65 56.49 3bdm s ILE 21 Cb -0.10 -4.05 0.14 0.00 -1.58 0.00 0.00 42.46 36.87 3bdm s ILE 21 CO 0.04 -0.86 1.82 -0.26 -1.23 0.00 0.00 174.94 174.45 3bdm h PHE 22 N 8.34 0.73 -0.42 3.97 0.04 -1.95 -2.16 116.94 125.49 3bdm h PHE 22 Ca -0.16 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.70 3bdm h PHE 22 Cb 1.06 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 3bdm h PHE 22 CO 0.75 0.37 0.29 1.96 -0.60 0.00 0.00 178.31 181.08 3bdm h GLN 23 N 0.74 0.26 -0.06 1.51 1.08 -1.89 0.28 115.11 117.04 3bdm h GLN 23 Ca 0.29 -0.02 -0.22 0.00 -1.45 0.00 0.00 58.65 57.25 3bdm h GLN 23 Cb 0.13 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.51 3bdm h GLN 23 CO -0.16 0.17 -0.87 0.28 -0.95 0.00 0.00 178.83 177.30 3bdm h VAL 24 N 0.27 1.34 -0.35 -0.54 2.07 -1.79 -2.22 116.25 115.03 3bdm h VAL 24 Ca 0.19 -2.21 -0.06 0.00 0.82 0.00 0.00 66.70 65.44 3bdm h VAL 24 Cb 0.40 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 3bdm h VAL 24 CO -0.04 0.68 -0.01 -0.33 0.02 0.00 0.00 177.57 177.89 3bdm h GLU 25 N 0.35 0.62 0.00 1.57 5.08 -0.55 -2.22 114.58 119.44 3bdm h GLU 25 Ca -0.07 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3bdm h GLU 25 Cb 1.50 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.69 3bdm h GLU 25 CO 0.16 0.75 -0.13 1.88 -1.00 0.00 0.00 179.01 180.67 3bdm h TYR 26 N 0.43 0.00 -0.46 4.33 0.05 -0.54 -0.68 116.97 120.10 3bdm h TYR 26 Ca 0.10 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.74 3bdm h TYR 26 Cb 0.47 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 3bdm h TYR 26 CO 0.04 0.13 -0.24 0.00 -1.05 0.00 0.00 178.16 177.03 3bdm h ALA 27 N 1.87 0.65 -0.60 3.88 0.00 -0.84 -2.63 119.26 121.59 3bdm h ALA 27 Ca -0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3bdm h ALA 27 Cb 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3bdm h ALA 27 CO 0.02 0.66 0.21 -0.07 0.00 0.00 0.00 179.25 180.07 3bdm h LEU 28 N 0.82 0.82 -1.40 0.00 3.38 -0.57 -2.17 115.31 116.19 3bdm h LEU 28 Ca 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3bdm h LEU 28 Cb 0.82 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3bdm h LEU 28 CO 0.07 0.76 0.22 -0.33 0.09 0.00 0.00 178.44 179.25 3bdm h GLU 29 N 0.87 0.62 0.00 1.13 4.39 -1.07 0.08 114.58 120.60 3bdm h GLU 29 Ca 0.20 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 3bdm h GLU 29 Cb 0.21 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3bdm h GLU 29 CO -0.01 0.48 -0.27 0.00 -1.16 0.00 0.00 179.01 178.05 3bdm h ALA 30 N 1.62 1.26 -0.05 3.43 0.00 -1.05 -2.57 119.26 121.89 3bdm h ALA 30 Ca 0.16 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3bdm h ALA 30 Cb 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3bdm h ALA 30 CO -0.02 0.34 -0.46 0.28 0.00 0.00 0.00 179.25 179.39 3bdm h VAL 31 N 0.00 1.42 -0.51 0.00 2.07 -0.79 -2.97 116.25 115.47 3bdm h VAL 31 Ca -0.00 -1.88 0.09 0.00 0.82 0.00 0.00 66.70 65.72 3bdm h VAL 31 Cb 0.59 2.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 3bdm h VAL 31 CO 0.04 0.55 0.34 0.11 0.02 0.00 0.00 177.57 178.63 3bdm h LYS 32 N -0.09 0.31 0.00 1.57 1.57 -0.94 -2.02 116.57 116.97 3bdm h LYS 32 Ca -0.04 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 3bdm h LYS 32 Cb 1.13 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 3bdm h LYS 32 CO 0.09 0.20 -0.87 -0.09 -0.57 0.00 0.00 179.45 178.22 3bdm h ARG 33 N 0.32 0.00 -7.24 3.15 2.43 -1.45 -2.68 114.38 108.91 3bdm h ARG 33 Ca 0.23 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.93 3bdm h ARG 33 Cb 0.51 0.00 0.19 0.00 -0.42 0.00 0.00 29.97 30.24 3bdm h ARG 33 CO -0.05 0.87 0.15 0.20 -1.51 0.00 0.00 179.97 179.62 3bdm s GLY 34 N -4.63 1.61 1.09 2.80 0.00 -0.76 -4.69 107.32 102.74 3bdm s GLY 34 Ca 0.01 0.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.70 3bdm s GLY 34 CO 0.80 0.66 0.97 -1.30 0.00 0.00 0.00 173.10 174.23 3bdm n THR 35 N -4.41 0.00 -2.93 0.90 -2.24 -1.26 -1.58 114.28 102.76 3bdm n THR 35 Ca 0.07 -0.29 -0.32 0.00 -2.27 0.00 0.00 64.05 61.24 3bdm n THR 35 Cb 0.54 -0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 67.76 3bdm n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bdm s ALA 37 N -2.21 -0.30 0.01 0.00 0.00 0.53 -1.90 121.76 117.89 3bdm s ALA 37 Ca 0.54 0.12 -0.07 0.00 0.00 0.00 0.00 51.96 52.55 3bdm s ALA 37 Cb -0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 3bdm s ALA 37 CO 0.24 -0.13 0.13 0.54 0.00 0.00 0.00 175.76 176.54 3bdm s VAL 38 N -0.59 0.10 -0.08 0.00 0.11 0.12 -0.98 120.40 119.07 3bdm s VAL 38 Ca -0.07 -0.79 -0.05 0.00 -2.93 0.00 0.00 61.98 58.15 3bdm s VAL 38 Cb -0.04 -0.54 0.04 0.00 -1.53 0.00 0.00 36.38 34.31 3bdm s VAL 38 CO 0.01 -0.43 0.19 -0.83 -3.33 0.00 0.00 175.10 170.71 3bdm s GLY 39 N -1.57 -0.10 -0.04 6.54 0.00 -0.05 -0.31 107.32 111.79 3bdm s GLY 39 Ca -0.13 0.77 0.01 0.00 0.00 0.00 0.00 44.72 45.37 3bdm s GLY 39 CO 0.00 0.96 -0.05 -1.34 0.00 0.00 0.00 173.10 172.67 3bdm s VAL 40 N 0.94 0.58 -0.14 1.40 -7.23 -0.82 -0.56 120.40 114.56 3bdm s VAL 40 Ca -0.07 -0.17 -0.12 0.00 -1.81 0.00 0.00 61.98 59.81 3bdm s VAL 40 Cb -0.08 -0.58 -0.05 0.00 0.56 0.00 0.00 36.38 36.22 3bdm s VAL 40 CO -0.05 0.23 0.25 -1.59 -0.31 0.00 0.00 175.10 173.62 3bdm s LYS 41 N 0.77 4.07 0.00 4.82 -2.85 -0.14 -1.56 119.74 124.84 3bdm s LYS 41 Ca -0.11 0.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.89 3bdm s LYS 41 Cb -0.14 -3.36 0.00 0.00 -2.06 0.00 0.00 37.83 32.27 3bdm s LYS 41 CO 0.01 0.39 0.00 0.41 0.10 0.00 0.00 175.35 176.26 3bdm n GLY 42 N 3.00 1.30 0.23 0.59 0.00 0.21 -4.63 105.19 105.89 3bdm n GLY 42 Ca -0.14 -1.55 0.07 0.00 0.00 0.00 0.00 46.02 44.40 3bdm n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3bdm n LYS 43 N 0.00 1.99 -0.38 1.61 4.81 -1.24 -4.58 118.16 120.37 3bdm n LYS 43 Ca 0.00 -0.52 0.00 0.00 -0.87 0.00 0.00 58.31 56.92 3bdm n LYS 43 Cb 0.00 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 33.85 3bdm n LYS 43 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3bdm n ASN 44 N -0.52 0.00 -3.52 3.14 6.94 -1.26 -4.86 115.26 115.19 3bdm n ASN 44 Ca 0.05 -1.10 -0.03 0.00 -0.02 0.00 0.00 54.58 53.47 3bdm n ASN 44 Cb 0.28 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 3bdm n ASN 44 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3bdm s VAL 46 N -2.65 0.02 -0.02 0.00 1.01 -0.80 0.68 120.40 118.63 3bdm s VAL 46 Ca 0.17 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.03 3bdm s VAL 46 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 36.38 36.29 3bdm s VAL 46 CO 0.04 -0.09 -0.17 -0.69 0.00 0.00 0.00 175.10 174.18 3bdm s VAL 47 N -0.27 1.39 -0.08 2.92 1.01 -0.60 -1.16 120.40 123.60 3bdm s VAL 47 Ca -0.03 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.26 3bdm s VAL 47 Cb -0.02 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 3bdm s VAL 47 CO -0.00 0.40 -0.24 -0.76 0.00 0.00 0.00 175.10 174.49 3bdm s LEU 48 N -0.31 2.07 -0.01 3.92 1.43 -0.42 -1.95 118.68 123.41 3bdm s LEU 48 Ca 0.04 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 3bdm s LEU 48 Cb -0.08 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 3bdm s LEU 48 CO -0.00 0.19 -0.14 -0.83 0.23 0.00 0.00 176.35 175.80 3bdm s GLY 49 N 0.15 0.68 0.02 -3.19 0.00 0.57 -1.51 107.32 104.03 3bdm s GLY 49 Ca -0.13 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 44.02 3bdm s GLY 49 CO 0.07 -0.47 -0.06 0.00 0.00 0.00 0.00 173.10 172.64 3bdm s GLU 51 N -1.00 3.31 -0.11 0.00 -1.05 -0.80 -2.14 118.70 116.91 3bdm s GLU 51 Ca -0.06 -0.30 0.03 0.00 -0.15 0.00 0.00 54.97 54.48 3bdm s GLU 51 Cb -0.07 -2.56 0.01 0.00 -0.44 0.00 0.00 34.13 31.07 3bdm s GLU 51 CO 0.00 -0.10 -0.20 1.03 0.95 0.00 0.00 175.26 176.95 3bdm s ARG 52 N -4.50 2.66 1.06 -4.83 0.52 0.11 -4.68 118.95 109.29 3bdm s ARG 52 Ca 0.45 -0.73 -0.16 0.00 -0.52 0.00 0.00 55.73 54.76 3bdm s ARG 52 Cb -0.10 -2.14 0.08 0.00 0.52 0.00 0.00 34.95 33.31 3bdm s ARG 52 CO 0.38 0.02 0.16 0.54 0.02 0.00 0.00 175.30 176.43 3bdm n ARG 53 N 3.95 -1.10 0.00 3.54 1.74 -1.26 -4.81 116.66 118.71 3bdm n ARG 53 Ca -0.20 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.59 3bdm n ARG 53 Cb 0.52 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 3bdm n ARG 53 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3bdm n SER 54 N -1.54 0.29 0.27 0.55 7.64 -1.26 -4.83 113.62 114.75 3bdm n SER 54 Ca 0.03 -1.14 0.17 0.00 1.01 0.00 0.00 58.87 58.93 3bdm n SER 54 Cb 0.59 0.00 0.79 0.00 -1.01 0.00 0.00 64.21 64.58 3bdm n SER 54 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3bdm h THR 55 N 2.52 0.11 -2.67 0.44 2.02 -2.08 -3.39 112.91 109.86 3bdm h THR 55 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 3bdm h THR 55 Cb 0.91 0.66 -0.22 0.00 -1.74 0.00 0.00 68.15 67.76 3bdm h THR 55 CO 0.00 0.00 -0.16 -0.76 0.37 0.00 0.00 175.52 174.97 3bdm s LEU 56 N -6.25 0.32 -0.17 2.58 2.01 -1.26 -5.16 118.68 110.75 3bdm s LEU 56 Ca -0.04 0.65 -0.04 0.00 0.01 0.00 0.00 54.13 54.71 3bdm s LEU 56 Cb 0.11 1.60 0.09 0.00 0.01 0.00 0.00 46.19 47.99 3bdm s LEU 56 CO 0.35 -0.30 0.27 -0.75 1.01 0.00 0.00 176.35 176.93 3bdm s LYS 57 N -0.41 0.20 0.00 1.70 2.36 -1.26 -4.84 119.74 117.49 3bdm s LYS 57 Ca -0.05 0.54 0.00 0.00 -2.55 0.00 0.00 55.97 53.90 3bdm s LYS 57 Cb -0.03 -0.49 0.00 0.00 -1.05 0.00 0.00 37.83 36.25 3bdm s LYS 57 CO 0.03 -0.47 0.00 -0.11 1.55 0.00 0.00 175.35 176.35 3bdm n LEU 58 N 5.34 0.00 -4.83 5.43 7.94 -1.26 -5.15 117.00 124.47 3bdm n LEU 58 Ca -0.06 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.54 3bdm n LEU 58 Cb 0.50 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.50 3bdm n LEU 58 CO 0.05 0.00 0.72 -1.10 -1.11 0.00 0.00 177.39 175.95 3bdm s GLN 59 N 0.00 2.90 -0.63 1.96 -0.21 -1.26 -5.03 119.66 117.39 3bdm s GLN 59 Ca 0.00 0.81 -0.03 0.00 0.02 0.00 0.00 55.36 56.16 3bdm s GLN 59 Cb 0.00 -2.00 0.16 0.00 1.00 0.00 0.00 33.01 32.18 3bdm s GLN 59 CO 0.00 -1.09 0.45 0.34 -2.12 0.00 0.00 175.29 172.87 3bdm s ASP 60 N -3.94 5.26 0.64 5.90 3.68 -1.26 -4.94 116.67 122.01 3bdm s ASP 60 Ca 0.58 -2.87 0.36 0.00 2.13 0.00 0.00 52.55 52.75 3bdm s ASP 60 Cb -0.13 -1.86 1.98 0.00 -1.45 0.00 0.00 42.92 41.46 3bdm s ASP 60 CO 0.54 -0.37 2.18 0.71 0.13 0.00 0.00 175.17 178.37 3bdm h THR 61 N 5.25 0.17 0.35 1.71 1.35 -1.96 -1.91 112.91 117.88 3bdm h THR 61 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 3bdm h THR 61 Cb 0.95 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.23 3bdm h THR 61 CO 0.71 0.00 -0.36 0.03 -0.25 0.00 0.00 175.52 175.65 3bdm h ARG 62 N 0.00 -0.69 0.02 4.72 3.08 -2.02 -3.34 114.38 116.15 3bdm h ARG 62 Ca 0.02 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3bdm h ARG 62 Cb 0.30 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3bdm h ARG 62 CO -0.00 -0.46 -0.01 -0.84 -1.07 0.00 0.00 179.97 177.59 3bdm h ILE 62 N -0.71 1.50 -0.86 2.04 3.07 -1.97 -3.47 117.51 117.11 3bdm h ILE 62 Ca -0.04 -1.87 -0.70 0.00 1.55 0.00 0.00 64.86 63.79 3bdm h ILE 62 Cb 0.62 2.72 0.03 0.00 -0.27 0.00 0.00 36.82 39.92 3bdm h ILE 62 CO -0.05 0.46 0.23 0.41 -1.05 0.00 0.00 178.15 178.16 3bdm n THR 63 N -4.71 0.00 -1.65 0.16 -1.04 -0.73 -4.75 114.28 101.55 3bdm n THR 63 Ca -0.09 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.46 3bdm n THR 63 Cb 0.38 -0.15 -0.04 0.00 -1.82 0.00 0.00 70.33 68.70 3bdm n THR 63 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3bdm n PRO 64 N 2.01 1.92 -2.28 -2.82 -0.04 -1.26 -4.90 135.00 127.63 3bdm n PRO 64 Ca 0.20 0.69 -0.28 0.00 -0.04 0.00 0.00 63.50 64.07 3bdm n PRO 64 Cb 0.03 -2.38 0.02 0.00 -0.04 0.00 0.00 33.50 31.12 3bdm n PRO 64 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3bdm s SER 65 N 0.55 5.98 0.35 3.54 1.04 -1.26 -5.02 113.70 118.87 3bdm s SER 65 Ca 0.75 1.02 0.18 0.00 0.48 0.00 0.00 55.95 58.38 3bdm s SER 65 Cb -0.71 -2.12 0.20 0.00 0.10 0.00 0.00 66.02 63.48 3bdm s SER 65 CO 0.45 -0.87 1.52 0.50 0.98 0.00 0.00 173.24 175.81 3bdm h LYS 66 N -0.13 0.00 -4.95 4.02 1.63 -1.95 -3.43 116.57 111.76 3bdm h LYS 66 Ca -0.46 0.00 -0.64 0.00 -0.85 0.00 0.00 60.65 58.70 3bdm h LYS 66 Cb 1.22 0.00 -0.20 0.00 -0.60 0.00 0.00 32.23 32.65 3bdm h LYS 66 CO 0.62 0.29 -0.59 0.08 -3.45 0.00 0.00 179.45 176.40 3bdm s VAL 67 N -3.08 4.67 0.21 2.00 1.01 -1.26 -3.95 120.40 120.01 3bdm s VAL 67 Ca 0.05 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3bdm s VAL 67 Cb 0.07 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 3bdm s VAL 67 CO 0.71 0.31 -0.00 -0.44 0.00 0.00 0.00 175.10 175.68 3bdm s SER 68 N 1.61 4.66 -0.24 3.32 0.01 0.71 -4.89 113.70 118.87 3bdm s SER 68 Ca 0.06 -0.51 -0.10 0.00 1.31 0.00 0.00 55.95 56.72 3bdm s SER 68 Cb -0.15 -0.93 -0.05 0.00 0.21 0.00 0.00 66.02 65.10 3bdm s SER 68 CO 0.06 0.05 0.15 -0.54 0.41 0.00 0.00 173.24 173.37 3bdm s LYS 69 N -3.26 4.02 -0.08 12.44 1.02 -1.26 0.15 119.74 132.76 3bdm s LYS 69 Ca 0.29 -0.30 -0.22 0.00 0.02 0.00 0.00 55.97 55.76 3bdm s LYS 69 Cb -0.08 -3.52 -0.29 0.00 -0.52 0.00 0.00 37.83 33.41 3bdm s LYS 69 CO 0.19 0.02 0.78 0.82 -0.92 0.00 0.00 175.35 176.24 3bdm h ILE 70 N 5.10 1.44 -1.74 2.17 1.08 -1.30 -3.48 117.51 120.78 3bdm h ILE 70 Ca -0.37 -2.46 0.00 0.00 -0.39 0.00 0.00 64.86 61.63 3bdm h ILE 70 Cb 1.17 3.10 0.00 0.00 -3.07 0.00 0.00 36.82 38.02 3bdm h ILE 70 CO 0.64 0.68 0.00 -0.67 -0.69 0.00 0.00 178.15 178.10 3bdm n ASP 71 N -4.18 0.07 0.10 1.72 4.64 -1.14 -4.61 116.55 113.15 3bdm n ASP 71 Ca -0.16 -0.66 0.13 0.00 -1.38 0.00 0.00 54.79 52.71 3bdm n ASP 71 Cb 0.78 0.00 0.44 0.00 -1.04 0.00 0.00 41.12 41.29 3bdm n ASP 71 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3bdm n SER 72 N -1.94 0.70 -0.13 1.67 3.41 -1.26 -3.62 113.62 112.45 3bdm n SER 72 Ca 0.00 0.58 0.01 0.00 -0.26 0.00 0.00 58.87 59.21 3bdm n SER 72 Cb 0.00 -0.77 0.02 0.00 -0.26 0.00 0.00 64.21 63.20 3bdm n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bdm n HIS 73 N -2.18 0.02 -4.18 7.33 1.44 -1.26 -4.23 115.22 112.16 3bdm n HIS 73 Ca 0.05 -0.10 -0.18 0.00 -2.01 0.00 0.00 57.72 55.49 3bdm n HIS 73 Cb 0.38 -0.01 -0.15 0.00 0.12 0.00 0.00 29.99 30.33 3bdm n HIS 73 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3bdm s VAL 74 N -0.39 0.48 0.27 0.61 1.01 -1.24 -3.07 120.40 118.08 3bdm s VAL 74 Ca 0.04 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 61.91 3bdm s VAL 74 Cb 0.03 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 3bdm s VAL 74 CO 0.04 0.17 -0.12 0.68 0.00 0.00 0.00 175.10 175.86 3bdm s VAL 75 N 0.26 2.00 -0.13 2.92 -7.23 -0.37 -0.82 120.40 117.03 3bdm s VAL 75 Ca -0.03 -2.24 -0.06 0.00 -1.81 0.00 0.00 61.98 57.85 3bdm s VAL 75 Cb -0.07 -2.34 0.06 0.00 0.56 0.00 0.00 36.38 34.58 3bdm s VAL 75 CO -0.00 -0.38 0.28 -0.22 -0.31 0.00 0.00 175.10 174.46 3bdm s LEU 76 N -3.46 0.02 0.34 1.32 0.20 0.40 -2.07 118.68 115.42 3bdm s LEU 76 Ca 0.28 0.61 0.09 0.00 0.69 0.00 0.00 54.13 55.81 3bdm s LEU 76 Cb 0.00 0.81 -0.06 0.00 -0.43 0.00 0.00 46.19 46.52 3bdm s LEU 76 CO 0.12 -0.20 -0.03 -0.94 -0.29 0.00 0.00 176.35 175.01 3bdm s SER 77 N 1.81 4.04 0.29 3.68 1.04 -0.31 -0.21 113.70 124.04 3bdm s SER 77 Ca -0.05 -1.04 -0.09 0.00 0.48 0.00 0.00 55.95 55.25 3bdm s SER 77 Cb -0.11 -0.48 0.00 0.00 0.10 0.00 0.00 66.02 65.53 3bdm s SER 77 CO -0.09 -0.21 0.49 0.72 0.98 0.00 0.00 173.24 175.13 3bdm s PHE 78 N -2.54 0.63 -0.06 5.02 -0.12 -1.25 -0.99 117.98 118.67 3bdm s PHE 78 Ca 0.34 -0.97 -0.03 0.00 -0.05 0.00 0.00 56.93 56.22 3bdm s PHE 78 Cb 0.00 0.11 0.04 0.00 -0.63 0.00 0.00 43.02 42.54 3bdm s PHE 78 CO 0.18 -1.08 0.13 -1.12 -0.05 0.00 0.00 175.22 173.29 3bdm s SER 79 N -3.11 0.22 0.00 1.98 0.01 -0.61 -4.79 113.70 107.41 3bdm s SER 79 Ca 0.26 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.78 3bdm s SER 79 Cb -0.01 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.39 3bdm s SER 79 CO 0.13 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.21 3bdm n GLY 80 N 4.59 0.52 3.73 3.44 0.00 -1.26 -1.60 105.19 114.61 3bdm n GLY 80 Ca -0.19 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 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 4.44 0.01 0.99 1.43 0.12 -4.69 118.68 120.99 3bdm s LEU 81 Ca 0.00 2.06 -0.25 0.00 -1.03 0.00 0.00 54.13 54.91 3bdm s LEU 81 Cb 0.00 -3.60 -0.16 0.00 0.03 0.00 0.00 46.19 42.46 3bdm s LEU 81 CO 0.00 -0.31 1.21 0.78 0.23 0.00 0.00 176.35 178.26 3bdm h ASN 82 N 5.69 -0.41 -0.74 2.29 -0.26 -1.98 -3.00 115.58 117.17 3bdm h ASN 82 Ca -0.43 -0.14 0.14 0.00 -0.56 0.00 0.00 56.30 55.30 3bdm h ASN 82 Cb 1.21 0.11 -0.14 0.00 -1.06 0.00 0.00 38.32 38.44 3bdm h ASN 82 CO 0.75 -0.04 -0.27 0.00 -1.06 0.00 0.00 177.43 176.81 3bdm h ALA 83 N -0.37 0.27 -0.33 -0.83 0.00 -1.99 0.28 119.26 116.29 3bdm h ALA 83 Ca -0.05 0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.19 3bdm h ALA 83 Cb 0.53 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3bdm h ALA 83 CO 0.08 -0.53 0.23 -0.44 0.00 0.00 0.00 179.25 178.59 3bdm h ASP 84 N -0.06 0.08 -0.58 0.00 3.45 -1.93 -2.23 116.42 115.16 3bdm h ASP 84 Ca 0.32 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.68 3bdm h ASP 84 Cb 0.57 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.30 3bdm h ASP 84 CO -0.78 0.05 -0.03 0.77 -1.57 0.00 0.00 179.24 177.68 3bdm h SER 85 N 0.10 1.04 -0.39 6.45 4.64 -0.30 -3.02 113.55 122.07 3bdm h SER 85 Ca 0.16 -0.32 0.08 0.00 -0.47 0.00 0.00 61.79 61.23 3bdm h SER 85 Cb 0.50 -0.28 -0.07 0.00 -0.31 0.00 0.00 62.40 62.23 3bdm h SER 85 CO -0.02 1.11 -0.06 0.03 -0.87 0.00 0.00 176.83 177.02 3bdm h ARG 86 N 0.95 0.03 -0.49 4.77 3.08 -1.21 0.30 114.38 121.80 3bdm h ARG 86 Ca 0.16 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.27 3bdm h ARG 86 Cb 0.60 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 3bdm h ARG 86 CO 0.04 0.02 0.20 0.82 -1.07 0.00 0.00 179.97 179.98 3bdm h ILE 87 N 0.03 0.87 -0.35 2.04 5.03 -1.58 0.28 117.51 123.84 3bdm h ILE 87 Ca 0.19 -0.14 -0.06 0.00 -0.12 0.00 0.00 64.86 64.74 3bdm h ILE 87 Cb 0.29 0.44 -0.01 0.00 -3.03 0.00 0.00 36.82 34.51 3bdm h ILE 87 CO -0.38 0.07 0.00 -0.07 -0.68 0.00 0.00 178.15 177.10 3bdm h LEU 88 N 0.40 0.61 0.25 1.44 3.38 -1.15 -2.21 115.31 118.03 3bdm h LEU 88 Ca 0.23 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3bdm h LEU 88 Cb 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3bdm h LEU 88 CO -0.21 0.77 -0.17 0.40 0.09 0.00 0.00 178.44 179.32 3bdm h ILE 89 N 0.44 0.65 -0.27 1.22 2.04 -0.06 -1.61 117.51 119.90 3bdm h ILE 89 Ca 0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.03 3bdm h ILE 89 Cb 0.45 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 3bdm h ILE 89 CO 0.02 0.00 -0.18 -0.08 0.00 0.00 0.00 178.15 177.90 3bdm h GLU 90 N -0.41 -0.16 -0.56 2.37 4.57 -0.95 0.14 114.58 119.58 3bdm h GLU 90 Ca -0.02 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 3bdm h GLU 90 Cb 0.35 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.91 3bdm h GLU 90 CO 0.02 -0.10 0.23 0.87 -1.18 0.00 0.00 179.01 178.85 3bdm h LYS 91 N -0.16 0.42 -0.36 1.92 1.57 -1.24 -1.14 116.57 117.58 3bdm h LYS 91 Ca 0.15 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 3bdm h LYS 91 Cb 0.39 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3bdm h LYS 91 CO -0.37 0.28 -0.19 0.00 -0.57 0.00 0.00 179.45 178.59 3bdm h ALA 92 N 1.36 0.99 -0.61 3.86 0.00 -0.66 -1.81 119.26 122.39 3bdm h ALA 92 Ca 0.27 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3bdm h ALA 92 Cb 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3bdm h ALA 92 CO -0.24 0.60 0.29 0.00 0.00 0.00 0.00 179.25 179.89 3bdm h ARG 93 N 0.61 0.88 -0.52 0.00 3.08 -0.02 -0.27 114.38 118.13 3bdm h ARG 93 Ca 0.09 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 3bdm h ARG 93 Cb 0.66 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3bdm h ARG 93 CO 0.05 0.71 -0.17 0.28 -1.07 0.00 0.00 179.97 179.77 3bdm h VAL 94 N 0.83 1.27 -0.20 2.04 2.07 -1.07 -2.59 116.25 118.60 3bdm h VAL 94 Ca 0.21 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 3bdm h VAL 94 Cb 0.12 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3bdm h VAL 94 CO -0.03 0.47 -0.05 -0.08 0.02 0.00 0.00 177.57 177.90 3bdm h GLU 95 N 0.90 0.29 -0.04 1.57 4.57 -0.94 -0.45 114.58 120.49 3bdm h GLU 95 Ca 0.13 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3bdm h GLU 95 Cb 0.74 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 3bdm h GLU 95 CO 0.06 0.37 0.02 0.00 -1.18 0.00 0.00 179.01 178.28 3bdm h ALA 96 N 1.66 0.05 -0.30 2.92 0.00 -0.67 -0.34 119.26 122.59 3bdm h ALA 96 Ca 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3bdm h ALA 96 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3bdm h ALA 96 CO 0.01 -0.39 -0.05 1.96 0.00 0.00 0.00 179.25 180.78 3bdm h GLN 97 N -0.04 0.56 -0.50 0.00 1.08 -1.23 -2.77 115.11 112.21 3bdm h GLN 97 Ca 0.01 -0.21 0.05 0.00 -1.45 0.00 0.00 58.65 57.06 3bdm h GLN 97 Cb 0.10 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.45 3bdm h GLN 97 CO -0.00 0.74 0.22 1.03 -0.95 0.00 0.00 178.83 179.87 3bdm h SER 98 N 0.33 0.29 -0.48 1.46 0.87 -0.99 -1.39 113.55 113.64 3bdm h SER 98 Ca 0.08 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3bdm h SER 98 Cb 0.52 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 3bdm h SER 98 CO 0.03 0.20 0.27 -0.74 -0.53 0.00 0.00 176.83 176.06 3bdm h HIS 99 N 0.44 0.68 0.40 2.24 -0.00 -1.01 -0.48 115.15 117.42 3bdm h HIS 99 Ca 0.23 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.57 3bdm h HIS 99 Cb 0.18 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 3bdm h HIS 99 CO -0.12 0.48 -0.19 0.00 -0.00 0.00 0.00 177.93 178.09 3bdm h ARG 100 N 0.70 -0.52 -0.25 5.26 3.08 -1.10 -0.29 114.38 121.26 3bdm h ARG 100 Ca 0.18 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.33 3bdm h ARG 100 Cb 0.03 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.13 3bdm h ARG 100 CO -0.03 -0.24 -0.33 1.25 -1.07 0.00 0.00 179.97 179.55 3bdm h LEU 101 N -0.75 -1.06 -0.17 3.04 5.85 -0.85 1.68 115.31 123.04 3bdm h LEU 101 Ca -0.06 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3bdm h LEU 101 Cb 0.52 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3bdm h LEU 101 CO 0.09 -0.35 -0.24 0.71 -0.34 0.00 0.00 178.44 178.32 3bdm h THR 102 N -0.34 0.42 -0.00 1.05 1.35 -1.14 -3.34 112.91 110.91 3bdm h THR 102 Ca 0.13 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 3bdm h THR 102 Cb 0.55 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3bdm h THR 102 CO -0.44 0.23 -0.13 0.18 -0.25 0.00 0.00 175.52 175.12 3bdm n LEU 103 N -3.18 0.61 -3.58 3.87 7.99 -0.12 -5.02 117.00 117.56 3bdm n LEU 103 Ca 0.03 -0.67 -0.27 0.00 -0.01 0.00 0.00 56.01 55.08 3bdm n LEU 103 Cb 0.60 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.95 3bdm n LEU 103 CO 0.36 0.13 -0.04 -0.62 -1.51 0.00 0.00 177.39 175.72 3bdm n GLU 104 N -0.63 -1.39 0.00 3.23 1.02 0.57 -4.99 120.64 118.46 3bdm n GLU 104 Ca 0.01 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 3bdm n GLU 104 Cb 0.08 -4.40 0.00 0.00 -0.02 0.00 0.00 31.44 27.11 3bdm n GLU 104 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3bdm n ASP 105 N -2.70 0.00 -4.76 1.62 4.64 -1.20 -5.05 116.55 109.10 3bdm n ASP 105 Ca -0.09 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 52.91 3bdm n ASP 105 Cb 0.59 0.00 0.01 0.00 -1.04 0.00 0.00 41.12 40.68 3bdm n ASP 105 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3bdm n PRO 106 N 0.00 2.42 -1.49 -0.67 -0.04 -1.26 -4.03 135.00 129.92 3bdm n PRO 106 Ca 0.00 0.85 -0.38 0.00 -0.04 0.00 0.00 63.50 63.93 3bdm n PRO 106 Cb 0.00 -2.62 0.04 0.00 -0.04 0.00 0.00 33.50 30.87 3bdm n PRO 106 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3bdm n VAL 107 N 0.09 2.39 -2.46 0.52 0.24 -1.26 -4.69 118.33 113.15 3bdm n VAL 107 Ca 0.03 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.34 61.57 3bdm n VAL 107 Cb 0.40 -0.74 0.03 0.00 -1.47 0.00 0.00 33.84 32.06 3bdm n VAL 107 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3bdm s THR 108 N -1.66 3.72 0.15 3.34 -4.23 -1.26 -4.69 115.64 111.01 3bdm s THR 108 Ca 0.69 -0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 61.05 3bdm s THR 108 Cb -0.46 -3.46 -0.01 0.00 1.34 0.00 0.00 72.50 69.91 3bdm s THR 108 CO 0.54 -0.46 1.53 0.58 -0.54 0.00 0.00 174.62 176.26 3bdm h VAL 109 N -0.10 1.27 -0.78 2.29 2.07 -1.92 -1.84 116.25 117.24 3bdm h VAL 109 Ca -0.45 -1.43 0.01 0.00 0.82 0.00 0.00 66.70 65.65 3bdm h VAL 109 Cb 1.25 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 3bdm h VAL 109 CO 0.60 0.49 0.51 -0.08 0.02 0.00 0.00 177.57 179.11 3bdm h GLU 110 N 0.83 1.01 0.27 1.57 4.22 -1.96 -1.63 114.58 118.89 3bdm h GLU 110 Ca 0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.46 3bdm h GLU 110 Cb 0.84 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3bdm h GLU 110 CO 0.07 0.67 -0.13 -0.92 -2.18 0.00 0.00 179.01 176.52 3bdm h TYR 111 N 1.04 -0.34 -0.63 0.92 3.20 -1.91 -1.22 116.97 118.02 3bdm h TYR 111 Ca 0.29 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.28 3bdm h TYR 111 Cb -0.10 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 3bdm h TYR 111 CO -0.02 -0.01 0.43 1.25 -1.64 0.00 0.00 178.16 178.17 3bdm h LEU 112 N -0.72 0.28 0.10 2.82 7.12 -1.29 -0.17 115.31 123.45 3bdm h LEU 112 Ca -0.04 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 57.98 3bdm h LEU 112 Cb 0.49 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 3bdm h LEU 112 CO 0.06 0.15 -0.05 0.74 -0.13 0.00 0.00 178.44 179.22 3bdm h THR 113 N 0.30 1.13 -0.49 1.05 2.02 -1.17 -2.60 112.91 113.16 3bdm h THR 113 Ca 0.30 -1.01 0.09 0.00 0.77 0.00 0.00 66.41 66.56 3bdm h THR 113 Cb 0.77 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 3bdm h THR 113 CO -0.07 0.24 0.33 -0.09 0.37 0.00 0.00 175.52 176.30 3bdm h ARG 114 N -0.61 0.27 -0.01 6.66 2.43 -0.08 0.42 114.38 123.46 3bdm h ARG 114 Ca -0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3bdm h ARG 114 Cb 0.49 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3bdm h ARG 114 CO 0.02 0.18 -0.00 -0.92 -1.51 0.00 0.00 179.97 177.74 3bdm h TYR 115 N 0.28 0.03 -0.90 2.20 3.20 -1.03 -1.84 116.97 118.91 3bdm h TYR 115 Ca 0.22 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3bdm h TYR 115 Cb 0.52 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 3bdm h TYR 115 CO -0.00 0.42 0.53 0.28 -1.64 0.00 0.00 178.16 177.76 3bdm h VAL 116 N -0.38 1.25 -0.47 1.81 2.07 -0.91 -1.94 116.25 117.68 3bdm h VAL 116 Ca 0.00 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3bdm h VAL 116 Cb 0.42 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3bdm h VAL 116 CO 0.00 0.27 0.26 0.00 0.02 0.00 0.00 177.57 178.12 3bdm h ALA 117 N 1.34 0.60 -0.49 1.67 0.00 -0.91 -2.52 119.26 118.96 3bdm h ALA 117 Ca 0.32 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3bdm h ALA 117 Cb -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3bdm h ALA 117 CO -0.06 0.12 0.25 0.78 0.00 0.00 0.00 179.25 180.33 3bdm h GLY 118 N 0.62 0.69 0.47 0.00 0.00 -0.70 0.12 103.07 104.26 3bdm h GLY 118 Ca 0.16 -0.17 0.08 0.00 0.00 0.00 0.00 47.33 47.41 3bdm h GLY 118 CO -0.03 0.11 0.20 -2.08 0.00 0.00 0.00 176.54 174.74 3bdm h VAL 119 N 0.48 0.80 0.05 4.60 2.07 -1.11 0.17 116.25 123.32 3bdm h VAL 119 Ca 0.22 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 3bdm h VAL 119 Cb 0.13 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3bdm h VAL 119 CO -0.16 0.07 -0.02 1.56 0.02 0.00 0.00 177.57 179.04 3bdm h GLN 120 N 0.38 -0.06 -0.84 1.57 4.20 -0.93 -1.94 115.11 117.49 3bdm h GLN 120 Ca 0.27 0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.06 3bdm h GLN 120 Cb 0.30 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 3bdm h GLN 120 CO -0.27 0.07 0.50 0.37 -0.67 0.00 0.00 178.83 178.83 3bdm h GLN 121 N -0.19 0.85 -0.72 1.46 -0.00 -0.18 -1.36 115.11 114.98 3bdm h GLN 121 Ca -0.01 -0.05 0.04 0.00 -0.00 0.00 0.00 58.65 58.63 3bdm h GLN 121 Cb 0.16 -0.19 -0.05 0.00 0.00 0.00 0.00 27.48 27.40 3bdm h GLN 121 CO 0.01 0.57 0.45 -0.09 0.00 0.00 0.00 178.83 179.76 3bdm h ARG 122 N 0.88 0.83 0.00 1.69 2.43 -0.39 -0.57 114.38 119.25 3bdm h ARG 122 Ca 0.39 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 3bdm h ARG 122 Cb 0.27 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3bdm h ARG 122 CO -0.21 0.55 0.00 0.66 -1.51 0.00 0.00 179.97 179.46 3bdm n TYR 123 N -4.67 0.00 0.62 2.20 4.02 -0.52 -2.28 117.16 116.52 3bdm n TYR 123 Ca 0.08 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.05 3bdm n TYR 123 Cb 0.11 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.47 3bdm n TYR 123 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3bdm n THR 124 N -0.81 0.00 -2.67 -0.72 -2.24 -0.22 -3.50 114.28 104.12 3bdm n THR 124 Ca 0.07 -0.45 -0.01 0.00 -2.27 0.00 0.00 64.05 61.40 3bdm n THR 124 Cb 0.03 1.26 0.06 0.00 -2.10 0.00 0.00 70.33 69.58 3bdm n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bdm n GLN 125 N 0.47 1.27 -4.34 -0.78 10.64 -0.97 -4.71 117.38 118.96 3bdm n GLN 125 Ca 0.08 -2.34 -0.29 0.00 -1.83 0.00 0.00 57.00 52.61 3bdm n GLN 125 Cb 0.34 -0.55 -0.17 0.00 -0.86 0.00 0.00 30.24 29.00 3bdm n GLN 125 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 3bdm s SER 126 N -2.45 2.50 0.76 2.61 0.01 -1.17 -5.06 113.70 110.90 3bdm s SER 126 Ca 0.19 -0.44 -0.15 0.00 1.31 0.00 0.00 55.95 56.87 3bdm s SER 126 Cb 0.35 -1.11 0.06 0.00 0.21 0.00 0.00 66.02 65.52 3bdm s SER 126 CO -0.08 -0.00 1.23 -0.83 0.41 0.00 0.00 173.24 173.96 3bdm s GLY 127 N 1.12 2.34 0.00 3.44 0.00 -1.26 -3.56 107.32 109.40 3bdm s GLY 127 Ca -0.04 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.62 3bdm s GLY 127 CO -0.04 1.36 0.00 0.61 0.00 0.00 0.00 173.10 175.03 3bdm n GLY 128 N 0.58 0.79 2.99 0.20 0.00 0.44 -4.79 105.19 105.40 3bdm n GLY 128 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 3bdm n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bdm s VAL 129 N -3.24 0.26 0.20 1.61 -7.23 -1.23 -4.91 120.40 105.85 3bdm s VAL 129 Ca 0.00 -0.79 -0.02 0.00 -1.81 0.00 0.00 61.98 59.36 3bdm s VAL 129 Cb 0.00 -0.35 -0.05 0.00 0.56 0.00 0.00 36.38 36.54 3bdm s VAL 129 CO 0.00 -0.34 0.41 0.00 -0.31 0.00 0.00 175.10 174.85 3bdm s ARG 130 N -1.19 3.56 1.03 4.82 1.70 -1.26 -4.69 118.95 122.92 3bdm s ARG 130 Ca -0.10 -0.24 -0.12 0.00 -0.47 0.00 0.00 55.73 54.80 3bdm s ARG 130 Cb -0.08 -2.82 0.21 0.00 -0.57 0.00 0.00 34.95 31.69 3bdm s ARG 130 CO -0.00 0.39 1.07 -2.14 -1.08 0.00 0.00 175.30 173.54 3bdm s PRO 131 N -3.19 0.13 -0.10 3.89 0.02 -1.23 -4.92 135.00 129.61 3bdm s PRO 131 Ca 0.40 0.97 -0.30 0.00 0.02 0.00 0.00 61.00 62.09 3bdm s PRO 131 Cb -0.11 -1.67 -0.01 0.00 0.02 0.00 0.00 34.50 32.73 3bdm s PRO 131 CO 0.28 -3.05 1.00 -0.06 -0.33 0.00 0.00 177.00 174.84 3bdm s PHE 132 N -2.66 3.53 -1.44 6.54 0.40 -1.26 -4.93 117.98 118.16 3bdm s PHE 132 Ca 0.67 1.60 -0.09 0.00 -0.60 0.00 0.00 56.93 58.50 3bdm s PHE 132 Cb -0.22 -3.18 -0.07 0.00 0.51 0.00 0.00 43.02 40.06 3bdm s PHE 132 CO 0.61 -0.21 2.94 0.41 0.70 0.00 0.00 175.22 179.67 3bdm n GLY 133 N 3.08 4.29 3.24 4.36 0.00 -1.26 -4.51 105.19 114.39 3bdm n GLY 133 Ca 0.08 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 3bdm n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 134 N 1.54 0.05 0.02 1.61 1.01 -1.26 0.15 120.40 123.51 3bdm s VAL 134 Ca 0.67 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.29 3bdm s VAL 134 Cb 0.19 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 3bdm s VAL 134 CO -0.06 -0.22 -0.13 -0.44 0.00 0.00 0.00 175.10 174.25 3bdm s SER 135 N -1.13 1.50 0.16 3.32 0.01 -0.63 -3.31 113.70 113.62 3bdm s SER 135 Ca -0.12 -0.35 0.06 0.00 1.31 0.00 0.00 55.95 56.85 3bdm s SER 135 Cb -0.05 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 3bdm s SER 135 CO 0.04 0.08 -0.12 0.42 0.41 0.00 0.00 173.24 174.06 3bdm s THR 136 N -0.60 1.38 -0.15 1.44 -4.23 -0.07 -1.58 115.64 111.82 3bdm s THR 136 Ca 0.02 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 3bdm s THR 136 Cb -0.06 -1.83 0.02 0.00 1.34 0.00 0.00 72.50 71.97 3bdm s THR 136 CO 0.00 -0.62 -0.18 -0.76 -0.54 0.00 0.00 174.62 172.52 3bdm s LEU 137 N -3.04 1.92 -0.13 4.79 1.43 -0.16 -0.91 118.68 122.58 3bdm s LEU 137 Ca 0.16 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 3bdm s LEU 137 Cb -0.00 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.91 3bdm s LEU 137 CO 0.03 0.00 -0.19 -0.63 0.23 0.00 0.00 176.35 175.79 3bdm s ILE 138 N 1.21 1.83 0.07 -0.59 1.01 0.15 -1.17 121.20 123.71 3bdm s ILE 138 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.82 3bdm s ILE 138 Cb -0.14 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 3bdm s ILE 138 CO -0.08 0.50 -0.05 0.00 0.00 0.00 0.00 174.94 175.31 3bdm s ALA 139 N 0.88 0.73 0.00 9.38 0.00 -0.88 -0.27 121.76 131.60 3bdm s ALA 139 Ca -0.07 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.63 3bdm s ALA 139 Cb -0.15 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.18 3bdm s ALA 139 CO -0.02 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.86 3bdm n GLY 140 N 0.09 -1.01 3.21 0.00 0.00 -0.62 -1.24 105.19 105.63 3bdm n GLY 140 Ca -0.13 -1.29 -0.27 0.00 0.00 0.00 0.00 46.02 44.33 3bdm n GLY 140 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bdm s PHE 141 N -2.91 1.82 1.00 1.61 0.08 -1.17 -1.07 117.98 117.33 3bdm s PHE 141 Ca 0.00 -0.35 -0.12 0.00 0.12 0.00 0.00 56.93 56.59 3bdm s PHE 141 Cb 0.00 -1.17 0.19 0.00 -0.57 0.00 0.00 43.02 41.47 3bdm s PHE 141 CO 0.00 -0.03 1.08 -0.51 -0.10 0.00 0.00 175.22 175.66 3bdm s ASP 142 N -0.47 2.44 0.20 1.36 1.01 -1.26 -4.79 116.67 115.16 3bdm s ASP 142 Ca 0.08 1.65 -0.31 0.00 0.71 0.00 0.00 52.55 54.68 3bdm s ASP 142 Cb -0.08 -2.30 -0.10 0.00 1.01 0.00 0.00 42.92 41.45 3bdm s ASP 142 CO -0.01 -3.31 1.51 -2.84 0.21 0.00 0.00 175.17 170.73 3bdm s PRO 143 N -4.70 4.24 -1.30 8.23 0.02 -1.26 -2.84 135.00 137.38 3bdm s PRO 143 Ca 0.66 2.33 -0.00 0.00 0.02 0.00 0.00 61.00 64.01 3bdm s PRO 143 Cb -0.22 -3.14 -0.00 0.00 0.02 0.00 0.00 34.50 31.17 3bdm s PRO 143 CO 0.60 -0.53 0.72 0.54 -0.33 0.00 0.00 177.00 178.00 3bdm n ARG 14 N 3.30 -4.94 -3.71 5.54 1.74 -1.26 -5.00 116.66 112.33 3bdm n ARG 14 Ca 0.11 0.63 -0.14 0.00 -0.77 0.00 0.00 57.85 57.68 3bdm n ARG 14 Cb 0.39 -5.21 -0.08 0.00 -1.02 0.00 0.00 32.46 26.54 3bdm n ARG 14 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bdm s ASP 144 N -4.35 -0.32 -0.00 0.55 3.68 -1.13 -5.08 116.67 110.02 3bdm s ASP 144 Ca 0.01 0.33 0.10 0.00 2.13 0.00 0.00 52.55 55.13 3bdm s ASP 144 Cb -0.00 0.45 -0.12 0.00 -1.45 0.00 0.00 42.92 41.79 3bdm s ASP 144 CO 0.81 -0.42 0.38 -0.90 0.13 0.00 0.00 175.17 175.17 3bdm n ASP 14 N 1.51 1.02 -4.65 -0.34 3.85 -1.26 -4.47 116.55 112.20 3bdm n ASP 14 Ca -0.20 -0.55 -0.43 0.00 -0.71 0.00 0.00 54.79 52.91 3bdm n ASP 14 Cb 0.56 1.12 -0.02 0.00 -1.35 0.00 0.00 41.12 41.43 3bdm n ASP 14 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 3bdm s GLU 145 N -2.16 4.15 0.59 0.11 2.12 -1.26 -4.76 118.70 117.48 3bdm s GLU 145 Ca 0.02 1.77 -0.20 0.00 0.36 0.00 0.00 54.97 56.92 3bdm s GLU 145 Cb 0.07 -3.86 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 3bdm s GLU 145 CO 0.43 -0.84 1.33 -1.25 -0.54 0.00 0.00 175.26 174.38 3bdm s PRO 146 N 3.82 2.89 -0.07 4.30 0.04 -1.26 -4.62 135.00 140.10 3bdm s PRO 146 Ca 0.62 2.15 0.03 0.00 0.04 0.00 0.00 61.00 63.83 3bdm s PRO 146 Cb -0.25 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.23 3bdm s PRO 146 CO 0.21 -1.36 -0.15 0.15 0.04 0.00 0.00 177.00 175.88 3bdm s LYS 147 N -3.12 2.01 -0.05 4.56 -0.14 -0.23 -5.01 119.74 117.76 3bdm s LYS 147 Ca 0.76 -0.54 -0.00 0.00 -1.36 0.00 0.00 55.97 54.84 3bdm s LYS 147 Cb -0.39 -1.62 0.03 0.00 -1.68 0.00 0.00 37.83 34.17 3bdm s LYS 147 CO 0.44 0.08 -0.01 -1.17 -0.76 0.00 0.00 175.35 173.93 3bdm s LEU 148 N 0.53 0.96 0.09 3.17 2.96 -1.26 -1.58 118.68 123.54 3bdm s LEU 148 Ca -0.15 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 3bdm s LEU 148 Cb -0.16 -0.35 -0.04 0.00 0.50 0.00 0.00 46.19 46.14 3bdm s LEU 148 CO 0.05 -0.13 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.56 3bdm s TYR 149 N 1.37 0.89 0.00 5.38 2.02 0.63 -1.90 117.35 125.74 3bdm s TYR 149 Ca -0.04 -0.77 0.02 0.00 -0.37 0.00 0.00 57.07 55.91 3bdm s TYR 149 Cb -0.13 -0.51 -0.01 0.00 -0.40 0.00 0.00 41.96 40.91 3bdm s TYR 149 CO -0.02 -0.10 -0.06 -1.14 -1.57 0.00 0.00 175.55 172.66 3bdm s GLN 150 N -3.12 0.49 0.11 -0.62 0.74 -0.23 -0.67 119.66 116.36 3bdm s GLN 150 Ca 0.06 -0.27 0.05 0.00 0.05 0.00 0.00 55.36 55.25 3bdm s GLN 150 Cb 0.00 -0.46 -0.04 0.00 1.10 0.00 0.00 33.01 33.62 3bdm s GLN 150 CO -0.02 0.12 -0.12 0.95 -0.55 0.00 0.00 175.29 175.67 3bdm s THR 151 N -0.26 1.17 0.19 -0.34 -4.23 -0.09 -2.23 115.64 109.85 3bdm s THR 151 Ca 0.01 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 3bdm s THR 151 Cb -0.03 -1.48 -0.04 0.00 1.34 0.00 0.00 72.50 72.28 3bdm s THR 151 CO -0.00 -0.49 0.06 -1.83 -0.54 0.00 0.00 174.62 171.82 3bdm s GLU 152 N -2.78 1.15 0.32 3.99 -1.05 -0.92 -0.89 118.70 118.51 3bdm s GLU 152 Ca 0.08 -1.58 0.09 0.00 -0.15 0.00 0.00 54.97 53.41 3bdm s GLU 152 Cb -0.04 -0.05 0.91 0.00 -0.44 0.00 0.00 34.13 34.52 3bdm s GLU 152 CO 0.02 -0.24 1.66 -1.35 0.95 0.00 0.00 175.26 176.29 3bdm h PRO 153 N 2.65 0.27 -0.12 -4.83 0.11 -1.78 0.29 132.00 128.60 3bdm h PRO 153 Ca -0.37 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.76 3bdm h PRO 153 Cb 1.22 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3bdm h PRO 153 CO 0.60 0.18 0.17 0.66 -0.21 0.00 0.00 178.00 179.40 3bdm h SER 154 N 0.28 0.00 0.00 -2.05 4.64 -1.90 -3.38 113.55 111.14 3bdm h SER 154 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 3bdm h SER 154 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 3bdm h SER 154 CO -0.63 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.94 3bdm n GLY 155 N -1.33 0.65 3.82 -0.77 0.00 0.10 -4.39 105.19 103.28 3bdm n GLY 155 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3bdm n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdm s ILE 156 N -2.00 4.43 0.11 -0.61 -1.09 -1.25 -4.61 121.20 116.17 3bdm s ILE 156 Ca 0.00 1.42 -0.17 0.00 -2.23 0.00 0.00 60.65 59.67 3bdm s ILE 156 Cb 0.00 -3.61 0.04 0.00 -1.58 0.00 0.00 42.46 37.31 3bdm s ILE 156 CO 0.00 -0.33 0.42 -0.72 -1.23 0.00 0.00 174.94 173.07 3bdm s TYR 157 N -2.19 -0.24 0.09 3.97 1.13 -1.26 -2.16 117.35 116.69 3bdm s TYR 157 Ca 0.61 -0.03 -0.27 0.00 -1.41 0.00 0.00 57.07 55.98 3bdm s TYR 157 Cb -0.09 0.27 0.09 0.00 -1.10 0.00 0.00 41.96 41.12 3bdm s TYR 157 CO 0.15 -0.69 1.09 -1.54 -2.51 0.00 0.00 175.55 172.05 3bdm s SER 158 N -2.66 -0.12 0.07 -0.18 1.04 -0.95 -4.99 113.70 105.91 3bdm s SER 158 Ca 0.01 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.15 3bdm s SER 158 Cb 0.01 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 3bdm s SER 158 CO -0.10 -0.68 0.16 -0.94 0.98 0.00 0.00 173.24 172.66 3bdm s SER 159 N -2.98 6.00 0.12 7.02 1.04 -1.26 -1.07 113.70 122.57 3bdm s SER 159 Ca 0.13 0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.74 3bdm s SER 159 Cb 0.01 -1.75 -0.04 0.00 0.10 0.00 0.00 66.02 64.34 3bdm s SER 159 CO 0.00 0.16 -0.10 0.26 0.98 0.00 0.00 173.24 174.55 3bdm s TRP 160 N -1.47 1.15 0.03 5.02 0.52 -0.80 -4.98 118.94 118.41 3bdm s TRP 160 Ca 0.33 -0.76 0.10 0.00 0.02 0.00 0.00 56.10 55.79 3bdm s TRP 160 Cb -0.13 -0.61 -0.21 0.00 -1.15 0.00 0.00 33.47 31.38 3bdm s TRP 160 CO 0.25 0.02 1.00 0.77 0.02 0.00 0.00 176.95 179.01 3bdm h SER 161 N 3.03 0.00 -4.39 2.95 0.02 -1.91 -3.40 113.55 109.86 3bdm h SER 161 Ca -0.37 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.61 3bdm h SER 161 Cb 1.19 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.51 3bdm h SER 161 CO 0.61 0.97 0.39 0.00 -1.14 0.00 0.00 176.83 177.66 3bdm s ALA 162 N -2.67 -1.87 0.00 3.77 0.00 -1.26 -0.97 121.76 118.76 3bdm s ALA 162 Ca -0.02 1.52 -0.28 0.00 0.00 0.00 0.00 51.96 53.18 3bdm s ALA 162 Cb 0.09 -0.51 0.10 0.00 0.00 0.00 0.00 23.12 22.80 3bdm s ALA 162 CO 0.82 -0.33 0.87 -1.14 0.00 0.00 0.00 175.76 175.98 3bdm s GLN 163 N -1.00 0.85 0.02 0.00 2.00 0.28 -4.99 119.66 116.82 3bdm s GLN 163 Ca -0.05 -0.29 -0.04 0.00 -2.00 0.00 0.00 55.36 52.98 3bdm s GLN 163 Cb -0.01 0.39 -0.01 0.00 0.80 0.00 0.00 33.01 34.18 3bdm s GLN 163 CO 0.04 -0.37 0.05 -0.08 -0.50 0.00 0.00 175.29 174.44 3bdm s THR 164 N -3.07 0.11 0.05 -0.34 -1.32 -1.26 -0.87 115.64 108.93 3bdm s THR 164 Ca 0.04 -0.89 -0.03 0.00 -1.21 0.00 0.00 61.69 59.60 3bdm s THR 164 Cb -0.01 -0.47 -0.03 0.00 -1.51 0.00 0.00 72.50 70.48 3bdm s THR 164 CO -0.09 -0.49 0.03 0.27 -2.21 0.00 0.00 174.62 172.13 3bdm s ILE 165 N -1.71 0.18 0.00 5.08 -4.36 -0.15 -4.95 121.20 115.29 3bdm s ILE 165 Ca -0.13 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 3bdm s ILE 165 Cb -0.07 -1.19 0.00 0.00 1.25 0.00 0.00 42.46 42.45 3bdm s ILE 165 CO -0.01 -0.80 0.00 0.61 0.24 0.00 0.00 174.94 174.98 3bdm n GLY 166 N 0.43 -0.86 3.74 6.27 0.00 -1.26 -0.34 105.19 113.17 3bdm n GLY 166 Ca -0.17 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.28 3bdm n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bdm s ARG 167 N 0.00 4.32 -1.13 1.61 1.70 -0.61 -2.33 118.95 122.50 3bdm s ARG 167 Ca 0.00 2.18 0.00 0.00 -0.47 0.00 0.00 55.73 57.44 3bdm s ARG 167 Cb 0.00 -3.16 0.00 0.00 -0.57 0.00 0.00 34.95 31.22 3bdm s ARG 167 CO 0.00 -0.35 0.00 0.09 -1.08 0.00 0.00 175.30 173.96 3bdm n ASN 168 N 2.59 -4.85 0.29 -2.89 5.03 -1.26 -4.48 115.26 109.69 3bdm n ASN 168 Ca 0.07 0.26 0.15 0.00 0.87 0.00 0.00 54.58 55.93 3bdm n ASN 168 Cb 0.41 -3.29 0.85 0.00 -1.02 0.00 0.00 39.78 36.74 3bdm n ASN 168 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 3bdm h SER 169 N 0.00 0.00 -0.37 6.41 4.64 -1.77 -1.12 113.55 121.34 3bdm h SER 169 Ca -0.22 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.12 3bdm h SER 169 Cb 0.88 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 3bdm h SER 169 CO 0.32 0.05 0.21 0.50 -0.87 0.00 0.00 176.83 177.05 3bdm h LYS 170 N 0.00 0.42 0.00 4.77 1.63 -1.88 -0.40 116.57 121.11 3bdm h LYS 170 Ca -0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3bdm h LYS 170 Cb 0.16 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 3bdm h LYS 170 CO 0.01 0.28 0.00 2.41 -3.45 0.00 0.00 179.45 178.70 3bdm n THR 171 N -4.88 0.00 -0.25 1.00 -1.04 -0.44 -2.63 114.28 106.04 3bdm n THR 171 Ca 0.00 1.16 0.32 0.00 -2.04 0.00 0.00 64.05 63.49 3bdm n THR 171 Cb 0.06 -2.14 0.65 0.00 -1.82 0.00 0.00 70.33 67.08 3bdm n THR 171 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 3bdm h VAL 172 N 0.00 0.18 -0.23 12.58 3.04 -1.55 0.52 116.25 130.79 3bdm h VAL 172 Ca 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.57 3bdm h VAL 172 Cb 0.00 0.25 -0.00 0.00 -2.01 0.00 0.00 31.29 29.53 3bdm h VAL 172 CO 0.00 0.00 -0.33 -0.09 -1.01 0.00 0.00 177.57 176.14 3bdm h ARG 173 N 0.00 0.62 -0.38 4.17 2.43 -1.05 -1.64 114.38 118.53 3bdm h ARG 173 Ca 0.51 -0.37 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 3bdm h ARG 173 Cb 2.48 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 32.02 3bdm h ARG 173 CO -0.01 0.98 0.13 0.93 -1.51 0.00 0.00 179.97 180.49 3bdm h GLU 174 N 0.32 0.28 -0.10 0.20 3.07 0.27 0.35 114.58 118.97 3bdm h GLU 174 Ca 0.02 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.91 3bdm h GLU 174 Cb 0.91 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.70 3bdm h GLU 174 CO 0.08 0.19 -0.28 0.35 -1.40 0.00 0.00 179.01 177.94 3bdm h PHE 175 N 0.29 -0.76 -0.76 4.33 3.57 -1.25 -2.24 116.94 120.12 3bdm h PHE 175 Ca 0.17 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 3bdm h PHE 175 Cb 0.15 0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 3bdm h PHE 175 CO -0.15 -0.36 0.27 -0.07 -2.23 0.00 0.00 178.31 175.77 3bdm h LEU 176 N -0.37 1.07 -2.50 0.59 3.38 -0.69 -2.37 115.31 114.42 3bdm h LEU 176 Ca 0.09 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3bdm h LEU 176 Cb 0.50 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3bdm h LEU 176 CO -0.31 0.97 0.02 -0.33 0.09 0.00 0.00 178.44 178.89 3bdm h GLU 177 N 1.11 0.00 -0.99 1.13 5.08 0.23 -1.72 114.58 119.42 3bdm h GLU 177 Ca 0.25 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 58.06 3bdm h GLU 177 Cb 0.26 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.09 3bdm h GLU 177 CO -0.01 0.00 -0.81 0.36 -1.00 0.00 0.00 179.01 177.54 3bdm n LYS 178 N -3.75 3.42 0.00 2.33 2.85 -0.90 -4.57 118.16 117.54 3bdm n LYS 178 Ca -0.03 -4.23 0.00 0.00 -1.05 0.00 0.00 58.31 53.00 3bdm n LYS 178 Cb 0.11 -2.22 0.00 0.00 -0.65 0.00 0.00 35.03 32.27 3bdm n LYS 178 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3bdm n ASN 179 N -0.62 0.00 -4.05 -5.58 3.02 -0.86 -4.98 115.26 102.20 3bdm n ASN 179 Ca 0.40 -0.76 -0.28 0.00 -0.03 0.00 0.00 54.58 53.90 3bdm n ASN 179 Cb 0.86 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.86 3bdm n ASN 179 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3bdm s TYR 180 N 0.00 1.91 -0.26 3.10 6.14 -0.70 -5.01 117.35 122.53 3bdm s TYR 180 Ca 0.00 -0.88 -0.02 0.00 0.64 0.00 0.00 57.07 56.81 3bdm s TYR 180 Cb 0.00 -1.39 0.03 0.00 0.42 0.00 0.00 41.96 41.02 3bdm s TYR 180 CO 0.00 -0.46 -0.04 0.34 0.64 0.00 0.00 175.55 176.03 3bdm s ASP 18 N 0.98 4.48 0.46 4.32 3.68 -1.26 -4.90 116.67 124.42 3bdm s ASP 18 Ca -0.07 -0.92 0.15 0.00 2.13 0.00 0.00 52.55 53.84 3bdm s ASP 18 Cb -0.15 -1.69 1.10 0.00 -1.45 0.00 0.00 42.92 40.73 3bdm s ASP 18 CO -0.01 -0.15 2.02 0.03 0.13 0.00 0.00 175.17 177.19 3bdm h ARG 18 N 8.03 0.29 -0.24 4.34 3.08 -1.99 -1.30 114.38 126.58 3bdm h ARG 18 Ca -0.31 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.78 3bdm h ARG 18 Cb 1.10 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.04 3bdm h ARG 18 CO 0.57 0.19 -0.08 0.87 -1.07 0.00 0.00 179.97 180.45 3bdm h LYS 18 N 0.30 -0.03 -2.87 0.04 1.79 -2.05 -3.34 116.57 110.40 3bdm h LYS 18 Ca 0.21 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 58.07 3bdm h LYS 18 Cb 0.44 0.01 -0.40 0.00 -1.58 0.00 0.00 32.23 30.70 3bdm h LYS 18 CO -0.05 -0.02 -0.76 -2.00 -1.08 0.00 0.00 179.45 175.54 3bdm s GLU 18 N -6.20 1.34 0.69 3.15 2.12 -0.52 -5.12 118.70 114.16 3bdm s GLU 18 Ca -0.14 -2.16 -0.13 0.00 0.36 0.00 0.00 54.97 52.90 3bdm s GLU 18 Cb 0.11 -2.27 0.02 0.00 0.26 0.00 0.00 34.13 32.25 3bdm s GLU 18 CO 0.69 -1.22 1.10 -2.14 -0.54 0.00 0.00 175.26 173.15 3bdm s PRO 182 N 0.10 2.65 -0.40 4.30 0.02 -1.02 -4.46 135.00 136.19 3bdm s PRO 182 Ca 0.21 1.29 -0.10 0.00 0.02 0.00 0.00 61.00 62.42 3bdm s PRO 182 Cb -0.17 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.33 3bdm s PRO 182 CO -0.05 -1.35 1.42 -2.30 -0.33 0.00 0.00 177.00 174.38 3bdm n PRO 183 N -2.79 0.04 0.00 5.54 -0.02 -1.26 -4.62 135.00 131.87 3bdm n PRO 183 Ca 0.10 -0.60 0.00 0.00 -2.02 0.00 0.00 63.50 60.98 3bdm n PRO 183 Cb 0.52 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3bdm n PRO 183 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bdm n ALA 184 N 10.04 0.58 -2.57 3.55 0.00 -1.26 -3.61 120.51 127.22 3bdm n ALA 184 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 3bdm n ALA 184 Cb 0.48 -0.48 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3bdm n ALA 184 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3bdm s THR 185 N -2.10 1.47 0.20 0.00 2.01 -1.26 -4.72 115.64 111.25 3bdm s THR 185 Ca 0.00 -1.28 -0.10 0.00 0.31 0.00 0.00 61.69 60.62 3bdm s THR 185 Cb 0.00 -1.33 0.13 0.00 0.01 0.00 0.00 72.50 71.31 3bdm s THR 185 CO 0.00 0.01 1.80 0.58 -0.69 0.00 0.00 174.62 176.32 3bdm h VAL 186 N 4.29 0.95 0.73 3.82 2.07 -1.96 -0.34 116.25 125.81 3bdm h VAL 186 Ca -0.42 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 3bdm h VAL 186 Cb 1.18 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3bdm h VAL 186 CO 0.42 0.11 -0.45 -0.08 0.02 0.00 0.00 177.57 177.59 3bdm h GLU 187 N 0.63 -1.07 0.00 1.57 4.81 -1.94 -0.79 114.58 117.79 3bdm h GLU 187 Ca 0.28 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3bdm h GLU 187 Cb 0.19 0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3bdm h GLU 187 CO -0.18 -0.71 0.00 1.05 -0.73 0.00 0.00 179.01 178.43 3bdm h GLU 188 N -1.11 0.00 0.09 1.92 4.11 -1.85 -1.48 114.58 116.26 3bdm h GLU 188 Ca -0.09 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.07 3bdm h GLU 188 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3bdm h GLU 188 CO 0.09 0.00 -1.27 0.00 0.07 0.00 0.00 179.01 177.90 3bdm h VAL 190 N 0.05 1.43 0.15 0.00 2.07 -0.33 -3.13 116.25 116.50 3bdm h VAL 190 Ca -0.14 -2.26 -0.01 0.00 0.82 0.00 0.00 66.70 65.11 3bdm h VAL 190 Cb 1.94 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.92 3bdm h VAL 190 CO 0.17 0.66 -0.07 0.50 0.02 0.00 0.00 177.57 178.86 3bdm h LYS 191 N 0.14 -0.19 -0.48 1.57 3.64 -1.30 -1.93 116.57 118.02 3bdm h LYS 191 Ca -0.02 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.51 3bdm h LYS 191 Cb 1.28 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 3bdm h LYS 191 CO 0.11 0.13 0.37 1.25 -2.27 0.00 0.00 179.45 179.04 3bdm h LEU 192 N -0.52 0.00 0.04 5.20 5.85 -1.48 0.19 115.31 124.59 3bdm h LEU 192 Ca -0.02 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.45 3bdm h LEU 192 Cb 0.41 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.46 3bdm h LEU 192 CO 0.03 0.00 -1.01 0.74 -0.34 0.00 0.00 178.44 177.87 3bdm h THR 193 N 0.00 1.32 -0.19 1.05 2.02 -1.44 -2.28 112.91 113.38 3bdm h THR 193 Ca 0.23 -2.28 -0.14 0.00 0.77 0.00 0.00 66.41 64.99 3bdm h THR 193 Cb 0.97 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.93 3bdm h THR 193 CO -0.00 0.69 -0.41 0.58 0.37 0.00 0.00 175.52 176.75 3bdm h VAL 194 N 0.24 1.33 -0.13 3.16 2.07 -0.41 -2.04 116.25 120.46 3bdm h VAL 194 Ca -0.14 -1.65 0.05 0.00 0.82 0.00 0.00 66.70 65.78 3bdm h VAL 194 Cb 1.68 1.90 -0.06 0.00 -1.52 0.00 0.00 31.29 33.30 3bdm h VAL 194 CO 0.20 0.51 -0.24 0.03 0.02 0.00 0.00 177.57 178.09 3bdm h ARG 195 N 0.28 -0.29 -0.72 1.57 3.08 -0.75 0.10 114.38 117.65 3bdm h ARG 195 Ca 0.00 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.13 3bdm h ARG 195 Cb 1.02 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.09 3bdm h ARG 195 CO 0.09 -0.20 0.47 0.66 -1.07 0.00 0.00 179.97 179.93 3bdm h SER 196 N -0.30 0.69 0.35 7.04 4.64 -1.36 -2.30 113.55 122.30 3bdm h SER 196 Ca 0.10 -0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.21 3bdm h SER 196 Cb 0.45 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3bdm h SER 196 CO -0.30 0.46 -0.88 -0.07 -0.87 0.00 0.00 176.83 175.16 3bdm h LEU 197 N 0.79 0.48 -2.30 5.97 3.38 -0.59 -3.13 115.31 119.91 3bdm h LEU 197 Ca 0.30 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3bdm h LEU 197 Cb 0.19 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3bdm h LEU 197 CO -0.10 1.15 -0.05 -0.07 0.09 0.00 0.00 178.44 179.47 3bdm h LEU 198 N 0.22 0.00 -2.73 1.67 3.38 -0.25 0.67 115.31 118.27 3bdm h LEU 198 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3bdm h LEU 198 Cb 1.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 3bdm h LEU 198 CO 0.15 0.05 0.04 -0.33 0.09 0.00 0.00 178.44 178.44 3bdm h GLU 199 N 0.00 0.00 0.00 1.13 4.39 -1.45 -3.26 114.58 115.39 3bdm h GLU 199 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3bdm h GLU 199 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3bdm h GLU 199 CO 0.01 0.00 -0.49 0.28 -1.16 0.00 0.00 179.01 177.64 3bdm n VAL 200 N -3.31 0.00 0.28 3.13 0.31 -0.06 -4.79 118.33 113.89 3bdm n VAL 200 Ca -0.03 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.44 3bdm n VAL 200 Cb 0.12 -0.23 0.80 0.00 -0.91 0.00 0.00 33.84 33.62 3bdm n VAL 200 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3bdm h VAL 201 N 0.00 0.52 -5.66 2.52 2.07 0.20 -3.47 116.25 112.43 3bdm h VAL 201 Ca 0.00 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 3bdm h VAL 201 Cb 0.32 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3bdm h VAL 201 CO 0.00 0.07 -0.84 0.00 0.02 0.00 0.00 177.57 176.82 3bdm n GLN 202 N -3.67 -2.30 -2.90 1.57 1.13 -1.23 -4.34 117.38 105.64 3bdm n GLN 202 Ca -0.02 1.97 0.00 0.00 -1.94 0.00 0.00 57.00 57.01 3bdm n GLN 202 Cb 0.18 -4.23 0.00 0.00 0.11 0.00 0.00 30.24 26.31 3bdm n GLN 202 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3bdm n THR 203 N 0.18 -1.51 -2.97 5.09 -1.04 -1.26 -4.99 114.28 107.79 3bdm n THR 203 Ca 0.03 0.30 -0.12 0.00 -2.04 0.00 0.00 64.05 62.22 3bdm n THR 203 Cb 0.40 -2.57 -0.02 0.00 -1.82 0.00 0.00 70.33 66.32 3bdm n THR 203 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bdm n GLY 206 N 1.63 0.47 0.29 3.41 0.00 -1.26 -4.98 105.19 104.75 3bdm n GLY 206 Ca 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 3bdm n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm h ALA 207 N 5.03 0.83 -0.00 4.61 0.00 -1.94 -2.07 119.26 125.73 3bdm h ALA 207 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3bdm h ALA 207 Cb 1.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3bdm h ALA 207 CO 0.17 0.52 -0.30 0.36 0.00 0.00 0.00 179.25 180.00 3bdm n LYS 208 N -4.35 0.23 -0.05 0.00 -0.00 -1.26 -3.54 118.16 109.20 3bdm n LYS 208 Ca 0.04 -0.11 0.12 0.00 -0.00 0.00 0.00 58.31 58.36 3bdm n LYS 208 Cb 0.23 -1.50 0.34 0.00 -0.00 0.00 0.00 35.03 34.10 3bdm n LYS 208 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3bdm n ASN 209 N -1.29 2.17 -4.16 -5.58 3.02 -0.82 -4.87 115.26 103.73 3bdm n ASN 209 Ca 0.08 -1.74 -0.27 0.00 -0.03 0.00 0.00 54.58 52.62 3bdm n ASN 209 Cb 0.33 -0.06 -0.16 0.00 -0.61 0.00 0.00 39.78 39.27 3bdm n ASN 209 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3bdm s ILE 210 N -1.87 1.58 -0.04 2.41 1.01 -0.94 0.03 121.20 123.38 3bdm s ILE 210 Ca 0.34 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.23 3bdm s ILE 210 Cb 0.20 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 41.32 3bdm s ILE 210 CO 0.30 0.45 -0.10 -1.83 0.00 0.00 0.00 174.94 173.76 3bdm s GLU 211 N 0.08 1.27 0.24 2.79 -1.05 -0.91 -4.92 118.70 116.21 3bdm s GLU 211 Ca -0.06 -0.34 0.09 0.00 -0.15 0.00 0.00 54.97 54.52 3bdm s GLU 211 Cb -0.13 -1.13 -0.04 0.00 -0.44 0.00 0.00 34.13 32.39 3bdm s GLU 211 CO 0.03 0.06 -0.03 0.42 0.95 0.00 0.00 175.26 176.69 3bdm s ILE 212 N 0.47 3.38 -0.17 1.83 -1.09 -1.26 -2.03 121.20 122.32 3bdm s ILE 212 Ca -0.09 -1.84 -0.07 0.00 -2.23 0.00 0.00 60.65 56.42 3bdm s ILE 212 Cb -0.12 -2.77 0.07 0.00 -1.58 0.00 0.00 42.46 38.06 3bdm s ILE 212 CO 0.02 -0.30 0.37 -0.89 -1.23 0.00 0.00 174.94 172.92 3bdm s THR 213 N -2.15 -0.32 -0.15 2.92 2.01 -0.57 -2.38 115.64 115.00 3bdm s THR 213 Ca 0.30 0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.42 3bdm s THR 213 Cb -0.07 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 3bdm s THR 213 CO 0.19 0.07 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.45 3bdm s VAL 214 N 2.01 3.91 -0.17 3.82 1.01 0.51 -1.30 120.40 130.18 3bdm s VAL 214 Ca -0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 3bdm s VAL 214 Cb -0.10 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.57 3bdm s VAL 214 CO -0.12 0.51 -0.14 0.54 0.00 0.00 0.00 175.10 175.89 3bdm s VAL 215 N 0.22 2.74 0.30 2.92 0.11 -0.31 -1.73 120.40 124.64 3bdm s VAL 215 Ca -0.02 -0.73 0.10 0.00 -2.93 0.00 0.00 61.98 58.39 3bdm s VAL 215 Cb -0.14 -2.17 -0.05 0.00 -1.53 0.00 0.00 36.38 32.49 3bdm s VAL 215 CO 0.03 0.50 -0.00 -0.54 -3.33 0.00 0.00 175.10 171.76 3bdm s LYS 216 N 0.98 2.18 0.67 1.54 1.02 0.70 -1.91 119.74 124.92 3bdm s LYS 216 Ca -0.02 -1.56 -0.17 0.00 0.02 0.00 0.00 55.97 54.25 3bdm s LYS 216 Cb -0.15 -2.06 -0.03 0.00 -0.52 0.00 0.00 37.83 35.07 3bdm s LYS 216 CO -0.02 0.27 0.87 -2.30 -0.92 0.00 0.00 175.35 173.24 3bdm n PRO 217 N -0.91 0.61 -2.82 -1.68 -0.02 -1.26 -2.62 135.00 126.31 3bdm n PRO 217 Ca -0.05 0.26 -0.11 0.00 -2.02 0.00 0.00 63.50 61.57 3bdm n PRO 217 Cb 0.60 -2.11 0.05 0.00 -0.02 0.00 0.00 33.50 32.03 3bdm n PRO 217 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3bdm n ASP 218 N -0.98 -5.26 -4.07 2.55 10.43 -1.26 -3.93 116.55 114.02 3bdm n ASP 218 Ca 0.13 -0.52 -0.28 0.00 2.57 0.00 0.00 54.79 56.69 3bdm n ASP 218 Cb 0.49 -4.01 -0.04 0.00 1.84 0.00 0.00 41.12 39.40 3bdm n ASP 218 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3bdm n SER 219 N -2.77 -0.11 -4.01 -2.24 7.64 -1.26 -4.91 113.62 105.96 3bdm n SER 219 Ca -0.06 -1.11 -0.34 0.00 1.01 0.00 0.00 58.87 58.37 3bdm n SER 219 Cb 0.59 -2.54 -0.07 0.00 -1.01 0.00 0.00 64.21 61.18 3bdm n SER 219 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3bdm n ASP 220 N -2.93 4.09 -4.59 6.43 4.64 -1.08 -4.90 116.55 118.21 3bdm n ASP 220 Ca -0.31 -3.19 -0.34 0.00 -1.38 0.00 0.00 54.79 49.57 3bdm n ASP 220 Cb 0.69 -0.98 -0.11 0.00 -1.04 0.00 0.00 41.12 39.68 3bdm n ASP 220 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3bdm s ILE 221 N -1.58 3.87 -0.15 5.18 1.01 -1.26 -0.21 121.20 128.06 3bdm s ILE 221 Ca 0.29 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.33 3bdm s ILE 221 Cb -0.04 -2.61 0.05 0.00 0.01 0.00 0.00 42.46 39.87 3bdm s ILE 221 CO -0.11 0.59 0.53 0.54 0.00 0.00 0.00 174.94 176.48 3bdm s VAL 222 N -0.67 0.01 -0.30 2.92 0.11 -0.71 -5.01 120.40 116.75 3bdm s VAL 222 Ca 0.10 -0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 59.03 3bdm s VAL 222 Cb -0.11 -0.77 0.02 0.00 -1.53 0.00 0.00 36.38 33.99 3bdm s VAL 222 CO 0.02 -0.04 0.05 0.00 -3.33 0.00 0.00 175.10 171.80 3bdm s ALA 223 N -0.20 2.97 0.61 1.54 0.00 -1.26 -0.37 121.76 125.06 3bdm s ALA 223 Ca -0.04 -1.54 -0.18 0.00 0.00 0.00 0.00 51.96 50.20 3bdm s ALA 223 Cb -0.03 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.97 3bdm s ALA 223 CO 0.03 -1.02 0.92 1.28 0.00 0.00 0.00 175.76 176.97 3bdm n LEU 224 N 4.80 3.52 -4.97 0.00 4.32 -1.00 -4.97 117.00 118.69 3bdm n LEU 224 Ca -0.14 0.79 -0.21 0.00 -0.02 0.00 0.00 56.01 56.42 3bdm n LEU 224 Cb 0.47 -1.37 0.02 0.00 -1.62 0.00 0.00 43.42 40.91 3bdm n LEU 224 CO 0.30 -1.99 0.25 -0.94 -1.22 0.00 0.00 177.39 173.80 3bdm s SER 225 N -1.28 5.66 0.27 -1.43 1.04 -1.26 -4.53 113.70 112.17 3bdm s SER 225 Ca 0.76 0.02 -0.07 0.00 0.48 0.00 0.00 55.95 57.13 3bdm s SER 225 Cb -0.41 -1.16 0.46 0.00 0.10 0.00 0.00 66.02 65.01 3bdm s SER 225 CO 0.47 -0.79 1.58 0.28 0.98 0.00 0.00 173.24 175.75 3bdm h SER 226 N 0.42 -0.76 0.09 7.02 0.02 -1.91 -1.92 113.55 116.52 3bdm h SER 226 Ca -0.44 0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3bdm h SER 226 Cb 1.27 0.54 -0.01 0.00 0.14 0.00 0.00 62.40 64.34 3bdm h SER 226 CO 0.53 -0.30 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.46 3bdm h GLU 227 N 0.01 -0.23 -1.16 3.45 3.07 -1.94 2.77 114.58 120.54 3bdm h GLU 227 Ca 0.46 0.02 0.35 0.00 -0.50 0.00 0.00 59.36 59.69 3bdm h GLU 227 Cb 0.76 0.05 -0.12 0.00 -0.84 0.00 0.00 28.75 28.60 3bdm h GLU 227 CO -0.92 -0.15 0.73 0.93 -1.40 0.00 0.00 179.01 178.20 3bdm h GLU 228 N -0.24 0.24 0.07 2.33 5.08 -1.85 0.64 114.58 120.85 3bdm h GLU 228 Ca -0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3bdm h GLU 228 Cb 0.22 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3bdm h GLU 228 CO -0.04 0.16 -0.03 0.82 -1.00 0.00 0.00 179.01 178.91 3bdm h ILE 229 N 0.24 0.66 -1.00 3.13 2.04 -0.70 -3.15 117.51 118.73 3bdm h ILE 229 Ca 0.72 -1.35 0.31 0.00 1.00 0.00 0.00 64.86 65.54 3bdm h ILE 229 Cb 2.01 1.21 -0.15 0.00 -0.74 0.00 0.00 36.82 39.15 3bdm h ILE 229 CO -0.40 0.21 0.57 -1.13 0.00 0.00 0.00 178.15 177.40 3bdm h ASN 230 N -0.98 0.53 -0.06 1.72 -1.24 0.73 0.55 115.58 116.84 3bdm h ASN 230 Ca -0.01 0.19 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 3bdm h ASN 230 Cb 0.41 0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.59 3bdm h ASN 230 CO 0.02 -0.11 0.03 1.56 -1.29 0.00 0.00 177.43 177.64 3bdm h GLN 231 N 0.35 0.08 -0.98 6.67 4.20 0.07 -0.70 115.11 124.80 3bdm h GLN 231 Ca 0.72 -0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.53 3bdm h GLN 231 Cb 1.62 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 29.31 3bdm h GLN 231 CO -0.59 0.10 0.63 1.88 -0.67 0.00 0.00 178.83 180.18 3bdm h TYR 232 N 0.03 1.12 -0.08 2.96 -1.99 0.10 -1.29 116.97 117.82 3bdm h TYR 232 Ca 0.02 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 3bdm h TYR 232 Cb 0.04 -0.36 -0.00 0.00 2.00 0.00 0.00 36.73 38.41 3bdm h TYR 232 CO -0.06 0.49 0.04 0.28 -0.00 0.00 0.00 178.16 178.91 3bdm h VAL 233 N 1.02 1.13 0.12 -2.88 2.07 -0.64 -2.36 116.25 114.71 3bdm h VAL 233 Ca 0.47 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.62 3bdm h VAL 233 Cb 0.40 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3bdm h VAL 233 CO -0.22 0.11 -0.36 0.74 0.02 0.00 0.00 177.57 177.86 3bdm h THR 234 N -0.01 0.25 -0.63 2.57 2.02 -0.24 -1.38 112.91 115.49 3bdm h THR 234 Ca 0.03 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.31 3bdm h THR 234 Cb 0.15 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 3bdm h THR 234 CO -0.00 0.00 0.42 -0.61 0.37 0.00 0.00 175.52 175.70 3bdm h GLN 235 N -0.59 0.43 -0.12 6.66 4.15 -1.26 -2.19 115.11 122.20 3bdm h GLN 235 Ca 0.03 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.23 3bdm h GLN 235 Cb 0.62 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 3bdm h GLN 235 CO -0.21 0.28 -0.70 0.82 -1.93 0.00 0.00 178.83 177.10 3bdm h ILE 236 N 0.44 1.34 0.00 2.39 2.04 -0.82 -3.10 117.51 119.81 3bdm h ILE 236 Ca 0.29 -2.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.09 3bdm h ILE 236 Cb 0.56 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 3bdm h ILE 236 CO -0.09 0.62 -0.18 -0.33 0.00 0.00 0.00 178.15 178.17 3bdm h GLU 237 N 0.37 0.00 0.00 2.37 5.08 -0.62 -1.89 114.58 119.88 3bdm h GLU 237 Ca -0.03 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 3bdm h GLU 237 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3bdm h GLU 237 CO 0.13 0.18 -0.88 1.96 -1.00 0.00 0.00 179.01 179.40 3bdm h GLN 238 N 0.00 0.18 -0.82 2.33 4.20 -1.48 -2.76 115.11 116.76 3bdm h GLN 238 Ca -0.00 -0.19 0.10 0.00 0.06 0.00 0.00 58.65 58.61 3bdm h GLN 238 Cb 0.47 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.23 3bdm h GLN 238 CO 0.02 0.94 0.46 0.93 -0.67 0.00 0.00 178.83 180.51 3bdm h GLU 239 N 0.10 0.74 0.30 1.46 4.39 -1.27 0.34 114.58 120.64 3bdm h GLU 239 Ca -0.04 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3bdm h GLU 239 Cb 1.51 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 3bdm h GLU 239 CO 0.13 0.49 -0.14 0.87 -1.16 0.00 0.00 179.01 179.20 3bdm h LYS 240 N 0.76 -0.39 -1.00 2.33 1.57 -1.51 -3.30 116.57 115.03 3bdm h LYS 240 Ca 0.40 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.27 3bdm h LYS 240 Cb 0.38 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 3bdm h LYS 240 CO -0.26 -0.05 0.65 1.96 -0.57 0.00 0.00 179.45 181.18 3bdm h GLN 241 N -0.89 1.15 -2.46 3.15 4.20 -1.23 -2.98 115.11 116.04 3bdm h GLN 241 Ca -0.04 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 3bdm h GLN 241 Cb 0.52 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3bdm h GLN 241 CO 0.07 0.76 0.10 0.39 -0.67 0.00 0.00 178.83 179.48 3bdm n GLU 242 N -4.50 0.75 0.00 1.46 1.02 0.12 -5.09 120.64 114.39 3bdm n GLU 242 Ca 0.15 -0.33 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 3bdm n GLU 242 Cb 0.18 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 3bdm n GLU 242 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25