#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm n THR 5 N 0.00 -5.44 -1.36 1.12 -1.04 -1.26 -4.57 114.28 101.73 3bdm n THR 5 Ca 0.00 1.27 -0.53 0.00 -2.04 0.00 0.00 64.05 62.74 3bdm n THR 5 Cb 0.00 -3.41 -0.11 0.00 -1.82 0.00 0.00 70.33 64.99 3bdm n THR 5 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3bdm n ASP 6 N 1.97 1.05 -1.20 8.00 4.64 -1.26 -4.75 116.55 124.99 3bdm n ASP 6 Ca -0.01 0.47 0.09 0.00 -1.38 0.00 0.00 54.79 53.95 3bdm n ASP 6 Cb 0.02 -1.02 0.27 0.00 -1.04 0.00 0.00 41.12 39.36 3bdm n ASP 6 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3bdm n ARG 7 N 7.92 2.75 -2.94 -0.67 1.74 -1.26 -4.52 116.66 119.69 3bdm n ARG 7 Ca 0.53 -2.20 -0.42 0.00 -0.77 0.00 0.00 57.85 54.99 3bdm n ARG 7 Cb 0.06 -1.60 0.01 0.00 -1.02 0.00 0.00 32.46 29.91 3bdm n ARG 7 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3bdm n TYR 8 N 1.06 2.33 0.75 -1.55 4.01 -1.26 -4.73 117.16 117.76 3bdm n TYR 8 Ca 0.20 -2.58 0.07 0.00 -0.16 0.00 0.00 57.90 55.43 3bdm n TYR 8 Cb 0.61 -1.23 0.20 0.00 -0.31 0.00 0.00 39.34 38.60 3bdm n TYR 8 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3bdm n SER 9 N 1.04 2.14 -4.71 7.72 3.41 -1.26 -0.08 113.62 121.88 3bdm n SER 9 Ca 0.30 -1.97 -0.23 0.00 -0.26 0.00 0.00 58.87 56.70 3bdm n SER 9 Cb 0.32 -0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 3bdm n SER 9 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3bdm s PHE 10 N -1.49 2.68 0.20 7.33 -0.12 -1.26 -4.58 117.98 120.74 3bdm s PHE 10 Ca 0.28 -0.38 -0.30 0.00 -0.05 0.00 0.00 56.93 56.48 3bdm s PHE 10 Cb 0.15 -1.57 -0.08 0.00 -0.63 0.00 0.00 43.02 40.88 3bdm s PHE 10 CO 0.19 0.39 1.21 -1.12 -0.05 0.00 0.00 175.22 175.85 3bdm s SER 11 N -3.81 7.06 0.00 1.98 0.01 -1.26 -0.97 113.70 116.71 3bdm s SER 11 Ca 0.37 2.28 0.24 0.00 1.31 0.00 0.00 55.95 60.15 3bdm s SER 11 Cb -0.02 -2.61 0.27 0.00 0.21 0.00 0.00 66.02 63.87 3bdm s SER 11 CO 0.22 -0.38 1.30 0.18 0.41 0.00 0.00 173.24 174.97 3bdm n LEU 12 N 2.32 2.78 -3.96 2.44 4.77 -1.26 -4.71 117.00 119.38 3bdm n LEU 12 Ca 0.04 -0.93 -0.31 0.00 -0.03 0.00 0.00 56.01 54.78 3bdm n LEU 12 Cb 0.44 -0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.38 3bdm n LEU 12 CO 0.56 0.47 -0.43 -0.89 -1.33 0.00 0.00 177.39 175.77 3bdm s THR 13 N -2.03 1.63 0.43 -5.08 2.01 -1.26 -4.85 115.64 106.49 3bdm s THR 13 Ca 0.28 -1.28 0.04 0.00 0.31 0.00 0.00 61.69 61.05 3bdm s THR 13 Cb 0.20 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 3bdm s THR 13 CO 0.32 -0.08 0.13 0.42 -0.69 0.00 0.00 174.62 174.72 3bdm s THR 14 N 1.35 0.59 0.04 -0.82 -4.23 -1.26 -4.87 115.64 106.43 3bdm s THR 14 Ca -0.06 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.24 3bdm s THR 14 Cb -0.19 -2.28 -0.06 0.00 1.34 0.00 0.00 72.50 71.31 3bdm s THR 14 CO -0.06 0.00 0.61 -0.36 -0.54 0.00 0.00 174.62 174.27 3bdm s PHE 15 N -3.15 3.74 0.38 3.99 0.08 -1.26 -4.20 117.98 117.56 3bdm s PHE 15 Ca 0.21 1.28 -0.02 0.00 0.12 0.00 0.00 56.93 58.51 3bdm s PHE 15 Cb 0.02 -2.60 -0.04 0.00 -0.57 0.00 0.00 43.02 39.83 3bdm s PHE 15 CO 0.14 0.44 0.62 -1.54 -0.10 0.00 0.00 175.22 174.77 3bdm s SER 16 N -0.55 6.30 0.58 1.36 1.04 -0.16 -4.94 113.70 117.33 3bdm s SER 16 Ca 0.31 0.62 0.28 0.00 0.48 0.00 0.00 55.95 57.64 3bdm s SER 16 Cb -0.19 -2.11 1.52 0.00 0.10 0.00 0.00 66.02 65.34 3bdm s SER 16 CO 0.19 -0.37 1.99 -0.65 0.98 0.00 0.00 173.24 175.37 3bdm h PRO 17 N 0.68 0.00 0.00 4.02 0.11 -1.98 0.42 132.00 135.25 3bdm h PRO 17 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3bdm h PRO 17 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3bdm h PRO 17 CO 0.62 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.07 3bdm h SER 18 N 0.00 0.00 0.00 -2.05 4.64 -2.04 -3.47 113.55 110.64 3bdm h SER 18 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3bdm h SER 18 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3bdm h SER 18 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3bdm n GLY 19 N 0.86 1.11 3.96 -0.77 0.00 0.15 -5.10 105.19 105.39 3bdm n GLY 19 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 3bdm n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdm s LYS 20 N -0.74 3.06 -0.57 1.61 -0.14 -1.26 -4.78 119.74 116.92 3bdm s LYS 20 Ca 0.00 -0.52 0.02 0.00 -1.36 0.00 0.00 55.97 54.11 3bdm s LYS 20 Cb 0.00 -2.57 0.14 0.00 -1.68 0.00 0.00 37.83 33.72 3bdm s LYS 20 CO 0.00 -0.26 0.34 -0.51 -0.76 0.00 0.00 175.35 174.16 3bdm s LEU 21 N -4.54 4.64 0.00 3.17 1.43 -1.26 -0.99 118.68 121.13 3bdm s LEU 21 Ca 0.48 -3.06 -0.00 0.00 -1.03 0.00 0.00 54.13 50.52 3bdm s LEU 21 Cb -0.10 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 3bdm s LEU 21 CO 0.38 -0.25 0.61 0.61 0.23 0.00 0.00 176.35 177.92 3bdm n GLY 22 N 3.09 -1.91 0.38 -3.19 0.00 -1.26 -1.21 105.19 101.10 3bdm n GLY 22 Ca 0.07 0.36 0.19 0.00 0.00 0.00 0.00 46.02 46.65 3bdm n GLY 22 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3bdm h GLN 23 N 0.00 0.49 -0.31 1.61 1.08 -1.90 0.54 115.11 116.62 3bdm h GLN 23 Ca 0.00 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.05 3bdm h GLN 23 Cb 0.00 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 3bdm h GLN 23 CO -0.01 0.33 -0.30 0.82 -0.95 0.00 0.00 178.83 178.72 3bdm h ILE 24 N 0.51 1.28 0.40 2.54 2.04 -1.57 0.17 117.51 122.89 3bdm h ILE 24 Ca 0.58 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 3bdm h ILE 24 Cb 1.29 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 3bdm h ILE 24 CO -0.33 0.46 -0.19 0.44 0.00 0.00 0.00 178.15 178.53 3bdm h ASP 25 N 0.56 -0.46 -0.99 1.72 3.45 0.70 -1.32 116.42 120.08 3bdm h ASP 25 Ca 0.07 -0.11 0.06 0.00 0.43 0.00 0.00 57.03 57.48 3bdm h ASP 25 Cb 0.80 0.12 -0.06 0.00 -0.56 0.00 0.00 39.33 39.62 3bdm h ASP 25 CO 0.07 -0.13 0.65 1.88 -1.57 0.00 0.00 179.24 180.13 3bdm h TYR 26 N -0.81 1.19 -0.51 4.55 0.05 -0.57 -0.34 116.97 120.53 3bdm h TYR 26 Ca -0.06 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.78 3bdm h TYR 26 Cb 0.54 -0.39 -0.04 0.00 1.01 0.00 0.00 36.73 37.85 3bdm h TYR 26 CO 0.01 0.63 0.29 0.00 -1.05 0.00 0.00 178.16 178.04 3bdm h ALA 27 N 1.45 0.65 -0.40 3.88 0.00 -0.57 -0.68 119.26 123.60 3bdm h ALA 27 Ca 0.42 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 3bdm h ALA 27 Cb 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3bdm h ALA 27 CO -0.16 -0.02 0.10 -0.07 0.00 0.00 0.00 179.25 179.10 3bdm h LEU 28 N 0.58 0.53 -0.73 0.00 3.38 0.02 -1.58 115.31 117.51 3bdm h LEU 28 Ca 0.21 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.15 3bdm h LEU 28 Cb 0.05 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3bdm h LEU 28 CO -0.11 0.53 0.44 0.74 0.09 0.00 0.00 178.44 180.14 3bdm h THR 29 N 0.57 1.05 -0.30 0.22 2.02 0.35 -0.72 112.91 116.11 3bdm h THR 29 Ca 0.13 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3bdm h THR 29 Cb 0.21 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3bdm h THR 29 CO -0.00 0.15 0.06 0.00 0.37 0.00 0.00 175.52 176.09 3bdm h ALA 30 N 1.33 1.55 -0.50 6.16 0.00 -0.38 -1.61 119.26 125.81 3bdm h ALA 30 Ca 0.31 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3bdm h ALA 30 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3bdm h ALA 30 CO -0.14 0.34 -0.12 0.28 0.00 0.00 0.00 179.25 179.61 3bdm h VAL 31 N 0.43 1.27 -0.42 0.00 2.07 -0.68 -2.64 116.25 116.27 3bdm h VAL 31 Ca 0.10 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.40 3bdm h VAL 31 Cb 0.19 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3bdm h VAL 31 CO -0.00 0.44 0.19 0.11 0.02 0.00 0.00 177.57 178.33 3bdm h LYS 32 N 0.82 0.38 -0.25 1.57 1.79 -0.27 -2.29 116.57 118.32 3bdm h LYS 32 Ca 0.13 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.54 3bdm h LYS 32 Cb 0.68 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 3bdm h LYS 32 CO 0.05 0.25 0.01 1.96 -1.08 0.00 0.00 179.45 180.64 3bdm h GLN 33 N 0.39 0.36 -7.08 3.15 1.08 -1.25 -2.27 115.11 109.50 3bdm h GLN 33 Ca 0.18 -0.06 -0.50 0.00 -1.45 0.00 0.00 58.65 56.83 3bdm h GLN 33 Cb 0.12 -0.06 0.21 0.00 -0.05 0.00 0.00 27.48 27.70 3bdm h GLN 33 CO -0.15 0.38 -0.12 0.41 -0.95 0.00 0.00 178.83 178.40 3bdm n GLY 34 N -1.09 -1.31 3.74 3.46 0.00 -0.86 -4.54 105.19 104.59 3bdm n GLY 34 Ca 0.01 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 3bdm n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 35 N -2.50 2.08 0.58 1.61 1.01 -1.26 -0.49 120.40 121.43 3bdm s VAL 35 Ca 0.64 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 62.50 3bdm s VAL 35 Cb -0.22 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3bdm s VAL 35 CO 0.62 -0.01 1.13 -0.89 0.00 0.00 0.00 175.10 175.96 3bdm s THR 36 N -1.37 3.11 -0.15 3.92 2.01 -1.26 -4.38 115.64 117.51 3bdm s THR 36 Ca 0.79 0.64 -0.26 0.00 0.31 0.00 0.00 61.69 63.17 3bdm s THR 36 Cb -0.38 -3.22 0.06 0.00 0.01 0.00 0.00 72.50 68.98 3bdm s THR 36 CO 0.42 -0.20 0.65 -0.94 -0.69 0.00 0.00 174.62 173.86 3bdm s SER 37 N -1.96 -0.65 0.28 3.53 1.04 -0.84 -3.55 113.70 111.55 3bdm s SER 37 Ca 0.72 0.99 0.01 0.00 0.48 0.00 0.00 55.95 58.15 3bdm s SER 37 Cb -0.24 0.94 -0.03 0.00 0.10 0.00 0.00 66.02 66.80 3bdm s SER 37 CO 0.32 -0.41 0.28 -1.48 0.98 0.00 0.00 173.24 172.93 3bdm s LEU 38 N -0.41 1.30 -0.03 2.42 0.05 0.52 -1.33 118.68 121.19 3bdm s LEU 38 Ca -0.06 -1.52 -0.13 0.00 0.05 0.00 0.00 54.13 52.47 3bdm s LEU 38 Cb -0.03 0.76 0.02 0.00 -2.05 0.00 0.00 46.19 44.90 3bdm s LEU 38 CO 0.05 -1.04 0.30 -0.83 -0.55 0.00 0.00 176.35 174.28 3bdm s GLY 39 N -3.25 -0.15 -0.06 -3.48 0.00 0.30 -1.60 107.32 99.09 3bdm s GLY 39 Ca 0.37 0.40 -0.02 0.00 0.00 0.00 0.00 44.72 45.47 3bdm s GLY 39 CO 0.20 0.22 0.12 -0.42 0.00 0.00 0.00 173.10 173.22 3bdm s ILE 40 N -1.02 -0.07 -0.23 0.90 1.01 -0.40 -1.19 121.20 120.20 3bdm s ILE 40 Ca -0.11 0.21 -0.14 0.00 0.00 0.00 0.00 60.65 60.62 3bdm s ILE 40 Cb -0.05 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 3bdm s ILE 40 CO 0.03 0.09 0.30 -0.75 0.00 0.00 0.00 174.94 174.61 3bdm s LYS 41 N 1.29 4.10 0.00 2.79 2.20 0.12 -1.71 119.74 128.52 3bdm s LYS 41 Ca -0.08 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.51 3bdm s LYS 41 Cb -0.12 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 3bdm s LYS 41 CO -0.05 -0.05 0.00 0.00 -0.36 0.00 0.00 175.35 174.89 3bdm n ALA 42 N 4.57 0.00 0.22 3.13 0.00 0.28 -4.89 120.51 123.82 3bdm n ALA 42 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.45 3bdm n ALA 42 Cb 0.51 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.03 3bdm n ALA 42 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3bdm h THR 43 N 0.03 0.00 -0.27 0.00 1.35 -1.13 -3.37 112.91 109.51 3bdm h THR 43 Ca 0.00 -0.89 -0.23 0.00 -0.55 0.00 0.00 66.41 64.74 3bdm h THR 43 Cb 0.00 1.49 -0.38 0.00 -1.73 0.00 0.00 68.15 67.53 3bdm h THR 43 CO 0.00 0.00 -1.04 -0.46 -0.25 0.00 0.00 175.52 173.77 3bdm n ASN 44 N -2.62 1.60 0.00 5.36 6.94 -1.26 -5.02 115.26 120.26 3bdm n ASN 44 Ca 0.01 -2.23 0.00 0.00 -0.02 0.00 0.00 54.58 52.34 3bdm n ASN 44 Cb 0.52 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 3bdm n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3bdm n GLY 45 N -0.22 -0.34 3.09 4.83 0.00 -1.26 -4.65 105.19 106.64 3bdm n GLY 45 Ca 0.10 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 3bdm n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 46 N -2.00 0.13 0.00 1.61 1.01 -0.87 -0.56 120.40 119.72 3bdm s VAL 46 Ca 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.93 3bdm s VAL 46 Cb 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 3bdm s VAL 46 CO 0.00 -0.58 -0.03 0.54 0.00 0.00 0.00 175.10 175.03 3bdm s VAL 47 N -2.36 0.19 -0.01 2.92 0.11 -0.70 -1.04 120.40 119.51 3bdm s VAL 47 Ca -0.07 -0.26 0.02 0.00 -2.93 0.00 0.00 61.98 58.75 3bdm s VAL 47 Cb -0.03 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.62 3bdm s VAL 47 CO -0.04 -0.05 -0.08 0.27 -3.33 0.00 0.00 175.10 171.88 3bdm s ILE 48 N -0.31 0.64 0.13 7.04 -4.36 -0.52 -1.27 121.20 122.55 3bdm s ILE 48 Ca -0.02 -0.35 -0.12 0.00 -0.26 0.00 0.00 60.65 59.90 3bdm s ILE 48 Cb -0.03 -0.54 0.01 0.00 1.25 0.00 0.00 42.46 43.16 3bdm s ILE 48 CO -0.00 0.18 0.33 0.00 0.24 0.00 0.00 174.94 175.69 3bdm s ALA 49 N -0.18 -0.52 0.26 2.27 0.00 -0.62 -1.38 121.76 121.59 3bdm s ALA 49 Ca 0.03 -0.42 -0.07 0.00 0.00 0.00 0.00 51.96 51.50 3bdm s ALA 49 Cb -0.03 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.80 3bdm s ALA 49 CO -0.00 -0.62 0.47 -2.37 0.00 0.00 0.00 175.76 173.23 3bdm n THR 50 N -0.19 0.00 -4.63 0.00 5.66 -0.65 -0.35 114.28 114.12 3bdm n THR 50 Ca -0.13 -0.89 -0.33 0.00 -3.05 0.00 0.00 64.05 59.65 3bdm n THR 50 Cb 0.63 0.71 -0.13 0.00 -1.55 0.00 0.00 70.33 69.99 3bdm n THR 50 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3bdm s GLU 51 N -2.24 3.48 -1.09 1.09 2.12 -1.23 -2.16 118.70 118.66 3bdm s GLU 51 Ca 0.14 -0.62 -0.19 0.00 0.36 0.00 0.00 54.97 54.67 3bdm s GLU 51 Cb -0.02 -2.74 0.10 0.00 0.26 0.00 0.00 34.13 31.72 3bdm s GLU 51 CO 0.10 0.24 1.43 0.15 -0.54 0.00 0.00 175.26 176.64 3bdm s LYS 52 N 0.31 3.77 -1.30 4.30 1.02 0.53 -4.91 119.74 123.47 3bdm s LYS 52 Ca -0.08 -1.75 -0.17 0.00 0.02 0.00 0.00 55.97 53.99 3bdm s LYS 52 Cb -0.15 -5.23 0.02 0.00 -0.52 0.00 0.00 37.83 31.95 3bdm s LYS 52 CO 0.04 -2.03 1.99 1.17 -0.92 0.00 0.00 175.35 175.61 3bdm n LYS 53 N 7.57 2.72 -1.50 1.68 3.00 -1.26 -4.74 118.16 125.63 3bdm n LYS 53 Ca 0.35 -2.75 -0.52 0.00 -0.00 0.00 0.00 58.31 55.39 3bdm n LYS 53 Cb 0.48 -3.36 -0.05 0.00 0.00 0.00 0.00 35.03 32.10 3bdm n LYS 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3bdm n SER 54 N 7.80 0.13 -2.26 3.14 2.88 -1.26 -4.87 113.62 119.18 3bdm n SER 54 Ca 0.50 1.14 -0.30 0.00 -1.33 0.00 0.00 58.87 58.89 3bdm n SER 54 Cb 0.42 -1.04 0.12 0.00 -0.75 0.00 0.00 64.21 62.97 3bdm n SER 54 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3bdm n SER 55 N 1.83 5.95 0.00 -3.46 7.64 -1.26 -4.88 113.62 119.43 3bdm n SER 55 Ca 0.17 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.34 3bdm n SER 55 Cb 0.19 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 3bdm n SER 55 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3bdm n SER 56 N -1.02 0.00 0.00 6.43 2.88 -1.26 -4.90 113.62 115.75 3bdm n SER 56 Ca 0.61 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 58.21 3bdm n SER 56 Cb 1.09 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.83 3bdm n SER 56 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3bdm n PRO 57 N -0.83 0.01 0.11 -1.46 -0.04 -1.26 -1.13 135.00 130.40 3bdm n PRO 57 Ca 0.00 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 3bdm n PRO 57 Cb 0.00 -1.51 0.14 0.00 -0.04 0.00 0.00 33.50 32.09 3bdm n PRO 57 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3bdm h LEU 58 N 0.00 0.00 -9.80 1.53 3.38 -2.00 -3.45 115.31 104.97 3bdm h LEU 58 Ca 0.00 -0.07 -0.52 0.00 0.09 0.00 0.00 57.88 57.38 3bdm h LEU 58 Cb 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3bdm h LEU 58 CO 0.00 0.04 0.16 0.00 0.09 0.00 0.00 178.44 178.73 3bdm s ALA 59 N -3.23 3.41 -0.56 1.53 0.00 -0.29 -5.03 121.76 117.59 3bdm s ALA 59 Ca 0.05 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 3bdm s ALA 59 Cb 0.10 -2.92 0.14 0.00 0.00 0.00 0.00 23.12 20.44 3bdm s ALA 59 CO 0.72 0.30 0.51 -1.64 0.00 0.00 0.00 175.76 175.64 3bdm s MET 60 N -1.59 2.99 0.00 0.00 -1.94 -1.26 -4.88 119.30 112.62 3bdm s MET 60 Ca 0.40 -1.79 0.00 0.00 -1.71 0.00 0.00 55.69 52.60 3bdm s MET 60 Cb -0.20 -4.27 0.00 0.00 2.01 0.00 0.00 34.83 32.37 3bdm s MET 60 CO 0.24 -1.31 0.89 -1.13 -0.01 0.00 0.00 175.02 173.69 3bdm n SER 61 N 5.09 0.00 0.07 3.03 3.41 -1.26 -1.30 113.62 122.67 3bdm n SER 61 Ca -0.11 0.39 -0.12 0.00 -0.26 0.00 0.00 58.87 58.77 3bdm n SER 61 Cb 0.41 -0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 63.92 3bdm n SER 61 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3bdm h GLU 62 N 0.00 0.35 -2.15 4.33 3.07 -1.93 -3.25 114.58 115.00 3bdm h GLU 62 Ca 0.00 -0.39 -0.07 0.00 -0.50 0.00 0.00 59.36 58.40 3bdm h GLU 62 Cb 0.04 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 3bdm h GLU 62 CO 0.00 1.08 -0.06 0.25 -1.40 0.00 0.00 179.01 178.87 3bdm n THR 63 N -3.71 1.75 -3.64 1.13 -2.24 -0.42 -4.64 114.28 102.50 3bdm n THR 63 Ca -0.06 -0.70 -0.06 0.00 -2.27 0.00 0.00 64.05 60.96 3bdm n THR 63 Cb 0.84 -1.60 -0.07 0.00 -2.10 0.00 0.00 70.33 67.40 3bdm n THR 63 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3bdm s LEU 64 N 0.00 -0.27 -0.14 3.22 0.20 -1.23 -5.05 118.68 115.41 3bdm s LEU 64 Ca 0.24 0.51 0.01 0.00 0.69 0.00 0.00 54.13 55.58 3bdm s LEU 64 Cb 0.11 1.52 0.02 0.00 -0.43 0.00 0.00 46.19 47.41 3bdm s LEU 64 CO 0.00 -0.09 -0.15 -0.44 -0.29 0.00 0.00 176.35 175.38 3bdm s SER 65 N 0.25 2.65 0.09 3.68 0.01 -1.26 -4.95 113.70 114.17 3bdm s SER 65 Ca 0.04 -0.48 0.20 0.00 1.31 0.00 0.00 55.95 57.02 3bdm s SER 65 Cb -0.05 -1.17 -0.12 0.00 0.21 0.00 0.00 66.02 64.89 3bdm s SER 65 CO -0.11 -0.03 0.81 0.29 0.41 0.00 0.00 173.24 174.60 3bdm n LYS 66 N 4.62 0.63 -3.77 12.44 5.02 -1.26 -4.67 118.16 131.16 3bdm n LYS 66 Ca -0.18 0.08 -0.37 0.00 -2.02 0.00 0.00 58.31 55.82 3bdm n LYS 66 Cb 0.50 -1.74 -0.13 0.00 -0.02 0.00 0.00 35.03 33.64 3bdm n LYS 66 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bdm s VAL 67 N -3.21 3.77 0.23 -0.18 1.01 -1.26 -3.93 120.40 116.84 3bdm s VAL 67 Ca -0.03 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.06 3bdm s VAL 67 Cb 0.10 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 3bdm s VAL 67 CO 0.82 -0.07 -0.12 -0.44 0.00 0.00 0.00 175.10 175.29 3bdm s SER 68 N 1.43 4.04 -0.14 3.32 0.01 -0.56 -4.93 113.70 116.86 3bdm s SER 68 Ca -0.00 -0.76 -0.15 0.00 1.31 0.00 0.00 55.95 56.35 3bdm s SER 68 Cb -0.19 -0.58 -0.05 0.00 0.21 0.00 0.00 66.02 65.42 3bdm s SER 68 CO 0.02 0.06 0.35 -0.22 0.41 0.00 0.00 173.24 173.86 3bdm s LEU 69 N -3.23 4.26 -0.23 2.44 0.20 -1.26 -0.74 118.68 120.12 3bdm s LEU 69 Ca 0.27 0.61 -0.05 0.00 0.69 0.00 0.00 54.13 55.65 3bdm s LEU 69 Cb -0.07 -2.47 -0.18 0.00 -0.43 0.00 0.00 46.19 43.04 3bdm s LEU 69 CO 0.16 0.08 -0.10 0.18 -0.29 0.00 0.00 176.35 176.37 3bdm n LEU 70 N 3.54 2.59 -4.00 -0.68 4.77 0.17 -4.95 117.00 118.44 3bdm n LEU 70 Ca -0.11 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.86 3bdm n LEU 70 Cb 0.52 -0.94 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 3bdm n LEU 70 CO 0.41 0.78 0.04 0.42 -1.33 0.00 0.00 177.39 177.71 3bdm s THR 71 N -2.51 0.03 -1.23 -5.08 -4.23 -1.08 -4.63 115.64 96.90 3bdm s THR 71 Ca -0.33 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 3bdm s THR 71 Cb 0.10 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.87 3bdm s THR 71 CO 0.61 -0.13 0.76 -0.81 -0.54 0.00 0.00 174.62 174.51 3bdm n PRO 72 N -0.30 0.00 -0.30 3.99 -0.04 -1.26 -1.73 135.00 135.36 3bdm n PRO 72 Ca -0.04 0.28 0.04 0.00 -0.04 0.00 0.00 63.50 63.75 3bdm n PRO 72 Cb 0.63 -1.53 0.06 0.00 -0.04 0.00 0.00 33.50 32.62 3bdm n PRO 72 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3bdm n ASP 73 N -1.26 1.04 -3.72 3.54 8.00 -1.26 -1.53 116.55 121.37 3bdm n ASP 73 Ca 0.00 -2.47 -0.13 0.00 0.71 0.00 0.00 54.79 52.90 3bdm n ASP 73 Cb 0.03 -0.30 -0.14 0.00 -0.02 0.00 0.00 41.12 40.70 3bdm n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bdm s ILE 74 N -1.27 -0.12 0.26 0.53 1.01 -0.71 -1.51 121.20 119.39 3bdm s ILE 74 Ca 0.14 0.20 0.10 0.00 0.00 0.00 0.00 60.65 61.09 3bdm s ILE 74 Cb 0.12 -0.35 -0.05 0.00 0.01 0.00 0.00 42.46 42.19 3bdm s ILE 74 CO 0.01 0.08 -0.16 -0.83 0.00 0.00 0.00 174.94 174.04 3bdm s GLY 75 N 1.53 1.75 0.19 6.18 0.00 0.39 0.41 107.32 117.77 3bdm s GLY 75 Ca -0.06 -1.82 0.02 0.00 0.00 0.00 0.00 44.72 42.85 3bdm s GLY 75 CO -0.08 -1.89 0.03 0.00 0.00 0.00 0.00 173.10 171.16 3bdm s ALA 76 N -2.71 1.42 0.08 3.20 0.00 0.08 -1.27 121.76 122.57 3bdm s ALA 76 Ca 0.28 -1.65 -0.26 0.00 0.00 0.00 0.00 51.96 50.32 3bdm s ALA 76 Cb -0.02 0.69 0.08 0.00 0.00 0.00 0.00 23.12 23.86 3bdm s ALA 76 CO 0.12 -0.36 0.69 0.54 0.00 0.00 0.00 175.76 176.75 3bdm s VAL 77 N -3.70 0.00 0.00 0.00 0.11 -0.98 -1.50 120.40 114.33 3bdm s VAL 77 Ca 0.27 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 3bdm s VAL 77 Cb 0.06 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 3bdm s VAL 77 CO 0.06 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.83 3bdm n TYR 78 N -0.10 -0.04 -3.61 1.54 4.11 -1.25 -0.99 117.16 116.81 3bdm n TYR 78 Ca -0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.72 3bdm n TYR 78 Cb 0.63 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.91 3bdm n TYR 78 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 3bdm s SER 79 N -0.68 -0.87 0.00 9.48 0.01 -1.11 -4.57 113.70 115.97 3bdm s SER 79 Ca 0.00 1.29 0.00 0.00 1.31 0.00 0.00 55.95 58.55 3bdm s SER 79 Cb 0.00 1.67 0.00 0.00 0.21 0.00 0.00 66.02 67.90 3bdm s SER 79 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 3bdm n GLY 80 N 4.64 0.36 3.56 3.44 0.00 -1.26 -2.18 105.19 113.75 3bdm n GLY 80 Ca -0.16 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 3bdm n GLY 80 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bdm s MET 81 N -1.46 3.52 0.18 1.61 -1.94 0.18 -4.76 119.30 116.63 3bdm s MET 81 Ca 0.00 0.14 -0.25 0.00 -1.71 0.00 0.00 55.69 53.87 3bdm s MET 81 Cb 0.00 -3.94 0.06 0.00 2.01 0.00 0.00 34.83 32.96 3bdm s MET 81 CO 0.00 -1.25 1.56 0.78 -0.01 0.00 0.00 175.02 176.10 3bdm h GLY 82 N 10.63 -0.41 0.42 -0.03 0.00 -1.96 -1.26 103.07 110.46 3bdm h GLY 82 Ca -0.24 0.59 0.14 0.00 0.00 0.00 0.00 47.33 47.82 3bdm h GLY 82 CO 1.04 -0.14 0.61 -2.55 0.00 0.00 0.00 176.54 175.49 3bdm h PRO 83 N -0.16 0.82 -0.63 4.80 0.11 -2.00 -0.62 132.00 134.32 3bdm h PRO 83 Ca 0.21 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 3bdm h PRO 83 Cb 0.55 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.45 3bdm h PRO 83 CO -0.78 0.54 0.14 -0.44 -0.21 0.00 0.00 178.00 177.25 3bdm h ASP 84 N 0.84 0.95 -0.24 -2.05 3.45 -1.63 -2.36 116.42 115.38 3bdm h ASP 84 Ca 0.50 -0.20 -0.02 0.00 0.43 0.00 0.00 57.03 57.74 3bdm h ASP 84 Cb 0.65 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 3bdm h ASP 84 CO -0.26 0.93 0.08 0.22 -1.57 0.00 0.00 179.24 178.63 3bdm h TYR 85 N 0.95 0.37 -0.05 4.55 3.20 -0.77 -2.35 116.97 122.87 3bdm h TYR 85 Ca 0.20 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.07 3bdm h TYR 85 Cb 0.36 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.47 3bdm h TYR 85 CO 0.02 0.43 -0.33 -0.09 -1.64 0.00 0.00 178.16 176.55 3bdm h ARG 86 N 0.22 -0.43 -0.02 1.82 2.43 -0.93 0.90 114.38 118.37 3bdm h ARG 86 Ca 0.08 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3bdm h ARG 86 Cb 0.22 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3bdm h ARG 86 CO -0.00 -0.29 -0.27 -0.39 -1.51 0.00 0.00 179.97 177.51 3bdm h VAL 87 N -0.45 1.20 -0.06 0.20 -1.51 -1.42 -2.09 116.25 112.12 3bdm h VAL 87 Ca 0.07 -0.96 -0.09 0.00 -1.23 0.00 0.00 66.70 64.49 3bdm h VAL 87 Cb 0.56 1.49 -0.01 0.00 -2.13 0.00 0.00 31.29 31.21 3bdm h VAL 87 CO -0.31 0.28 -0.38 -0.07 -1.23 0.00 0.00 177.57 175.86 3bdm h LEU 88 N 0.03 0.13 -0.39 4.19 3.38 -0.65 -1.42 115.31 120.58 3bdm h LEU 88 Ca 0.00 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3bdm h LEU 88 Cb 0.49 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3bdm h LEU 88 CO 0.04 0.51 -0.17 0.58 0.09 0.00 0.00 178.44 179.48 3bdm h VAL 89 N 0.11 1.28 0.16 1.22 2.07 -0.18 0.74 116.25 121.65 3bdm h VAL 89 Ca 0.01 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 3bdm h VAL 89 Cb 0.73 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3bdm h VAL 89 CO 0.05 0.43 -0.08 0.44 0.02 0.00 0.00 177.57 178.44 3bdm h ASP 90 N 0.61 -0.18 -0.97 0.57 3.32 -1.28 -0.11 116.42 118.38 3bdm h ASP 90 Ca 0.09 -0.12 0.09 0.00 0.02 0.00 0.00 57.03 57.11 3bdm h ASP 90 Cb 0.72 0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.24 3bdm h ASP 90 CO 0.05 0.01 0.61 0.11 -1.72 0.00 0.00 179.24 178.31 3bdm h LYS 91 N -0.37 1.02 -0.27 3.56 1.57 -1.21 -1.38 116.57 119.50 3bdm h LYS 91 Ca -0.02 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3bdm h LYS 91 Cb 0.29 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3bdm h LYS 91 CO 0.04 0.68 0.08 0.77 -0.57 0.00 0.00 179.45 180.44 3bdm h SER 92 N 1.05 0.39 -0.93 0.86 0.02 -0.51 -0.63 113.55 113.81 3bdm h SER 92 Ca 0.44 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3bdm h SER 92 Cb 0.29 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 3bdm h SER 92 CO -0.21 0.50 0.56 0.03 -1.14 0.00 0.00 176.83 176.58 3bdm h ARG 93 N 0.26 1.25 0.26 3.45 3.08 -0.48 -2.02 114.38 120.19 3bdm h ARG 93 Ca 0.08 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3bdm h ARG 93 Cb 0.26 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3bdm h ARG 93 CO -0.00 0.87 -0.13 -0.22 -1.07 0.00 0.00 179.97 179.42 3bdm h LYS 94 N 1.27 -0.34 -0.15 0.04 3.64 -1.03 -3.01 116.57 116.99 3bdm h LYS 94 Ca 0.33 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.78 3bdm h LYS 94 Cb -0.06 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3bdm h LYS 94 CO -0.06 -0.05 0.12 -0.24 -2.27 0.00 0.00 179.45 176.95 3bdm h VAL 95 N -0.64 0.78 -0.01 2.00 3.04 -1.03 0.25 116.25 120.64 3bdm h VAL 95 Ca -0.04 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.60 3bdm h VAL 95 Cb 0.45 0.91 -0.01 0.00 -2.01 0.00 0.00 31.29 30.64 3bdm h VAL 95 CO 0.06 0.00 -0.25 0.00 -1.01 0.00 0.00 177.57 176.37 3bdm h ALA 96 N 1.90 1.57 0.00 3.17 0.00 -1.23 -1.70 119.26 122.98 3bdm h ALA 96 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3bdm h ALA 96 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3bdm h ALA 96 CO -0.00 0.32 -0.07 0.45 0.00 0.00 0.00 179.25 179.94 3bdm h HIS 97 N 0.01 0.00 -1.07 0.00 -0.00 -0.54 -2.37 115.15 111.18 3bdm h HIS 97 Ca 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 60.37 60.66 3bdm h HIS 97 Cb 0.45 0.00 -0.09 0.00 -0.00 0.00 0.00 27.41 27.76 3bdm h HIS 97 CO 0.00 0.00 0.70 1.79 -0.00 0.00 0.00 177.93 180.42 3bdm h THR 98 N -0.26 0.48 -0.46 2.45 1.35 -1.15 -1.50 112.91 113.82 3bdm h THR 98 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3bdm h THR 98 Cb 0.07 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.61 3bdm h THR 98 CO 0.00 0.06 0.00 -1.20 -0.25 0.00 0.00 175.52 174.13 3bdm n SER 99 N -4.61 3.99 0.03 5.36 7.64 -0.64 -4.71 113.62 120.68 3bdm n SER 99 Ca 0.26 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.68 3bdm n SER 99 Cb 0.95 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 3bdm n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bdm n TYR 100 N 0.51 -2.65 -0.27 1.43 4.19 -0.76 -4.90 117.16 114.71 3bdm n TYR 100 Ca 0.20 0.19 0.10 0.00 3.31 0.00 0.00 57.90 61.70 3bdm n TYR 100 Cb 0.75 0.91 0.35 0.00 0.49 0.00 0.00 39.34 41.84 3bdm n TYR 100 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 3bdm h LYS 101 N 0.00 0.73 0.00 2.98 3.64 -1.23 0.26 116.57 122.95 3bdm h LYS 101 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3bdm h LYS 101 Cb 0.00 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3bdm h LYS 101 CO 0.00 0.48 0.00 0.54 -2.27 0.00 0.00 179.45 178.20 3bdm n ARG 102 N -4.55 0.14 -0.08 1.90 1.74 -0.64 -0.48 116.66 114.70 3bdm n ARG 102 Ca 0.16 0.11 -0.12 0.00 -0.77 0.00 0.00 57.85 57.23 3bdm n ARG 102 Cb 0.41 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.28 3bdm n ARG 102 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3bdm n ILE 10 N -1.41 0.88 0.64 0.55 5.41 0.64 -4.73 119.36 121.34 3bdm n ILE 10 Ca 0.07 -0.31 0.07 0.00 1.00 0.00 0.00 62.75 63.58 3bdm n ILE 10 Cb 0.22 -1.22 -0.05 0.00 -0.71 0.00 0.00 39.64 37.87 3bdm n ILE 10 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3bdm n TYR 103 N -3.16 0.00 -2.23 1.39 4.01 0.30 -4.99 117.16 112.49 3bdm n TYR 103 Ca -0.28 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.35 3bdm n TYR 103 Cb 0.77 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.80 3bdm n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bdm n GLY 104 N 1.24 -0.06 3.34 2.72 0.00 0.37 -5.01 105.19 107.79 3bdm n GLY 104 Ca 0.04 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 3bdm n GLY 104 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3bdm s GLU 105 N -4.56 0.84 0.45 1.61 -1.05 -1.25 -5.02 118.70 109.71 3bdm s GLU 105 Ca 0.01 -0.11 -0.23 0.00 -0.15 0.00 0.00 54.97 54.49 3bdm s GLU 105 Cb -0.00 0.38 -0.08 0.00 -0.44 0.00 0.00 34.13 33.99 3bdm s GLU 105 CO 0.01 -0.26 1.15 0.71 0.95 0.00 0.00 175.26 177.82 3bdm s TYR 106 N -1.56 2.94 0.86 4.83 2.02 -1.26 -3.05 117.35 122.13 3bdm s TYR 106 Ca -0.11 1.55 -0.10 0.00 -0.37 0.00 0.00 57.07 58.04 3bdm s TYR 106 Cb -0.03 -3.34 0.11 0.00 -0.40 0.00 0.00 41.96 38.31 3bdm s TYR 106 CO 0.04 -1.35 1.13 -1.25 -1.57 0.00 0.00 175.55 172.55 3bdm s PRO 107 N -2.66 1.45 0.20 -1.71 0.04 -1.26 -4.95 135.00 126.11 3bdm s PRO 107 Ca 0.63 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 3bdm s PRO 107 Cb -0.27 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 3bdm s PRO 107 CO 0.33 -2.29 0.66 -1.25 0.04 0.00 0.00 177.00 174.50 3bdm s PRO 108 N -4.74 4.14 0.03 0.56 0.04 -1.26 -4.85 135.00 128.92 3bdm s PRO 108 Ca 0.65 0.72 -0.06 0.00 0.04 0.00 0.00 61.00 62.35 3bdm s PRO 108 Cb -0.21 -2.86 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 3bdm s PRO 108 CO 0.57 0.40 0.69 2.41 0.04 0.00 0.00 177.00 181.11 3bdm n THR 109 N 0.66 -0.14 -0.27 1.26 -1.04 -1.26 -1.04 114.28 112.45 3bdm n THR 109 Ca -0.03 1.05 0.06 0.00 -2.04 0.00 0.00 64.05 63.09 3bdm n THR 109 Cb 0.51 -1.35 0.17 0.00 -1.82 0.00 0.00 70.33 67.84 3bdm n THR 109 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 3bdm h LYS 110 N 0.00 0.09 -0.29 -2.82 2.10 -1.98 0.43 116.57 114.10 3bdm h LYS 110 Ca 0.03 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.63 3bdm h LYS 110 Cb 0.08 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 3bdm h LYS 110 CO -0.19 0.06 -0.01 -0.07 -2.00 0.00 0.00 179.45 177.24 3bdm h LEU 111 N 0.09 0.52 -0.77 7.07 3.38 -1.48 0.35 115.31 124.47 3bdm h LEU 111 Ca 0.43 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3bdm h LEU 111 Cb 0.77 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3bdm h LEU 111 CO -0.70 0.71 0.41 0.25 0.09 0.00 0.00 178.44 179.20 3bdm h LEU 112 N 0.31 0.97 -1.11 1.67 5.85 -0.84 0.21 115.31 122.38 3bdm h LEU 112 Ca 0.08 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3bdm h LEU 112 Cb 0.45 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3bdm h LEU 112 CO 0.02 0.80 0.36 0.58 -0.34 0.00 0.00 178.44 179.85 3bdm h VAL 113 N 1.06 1.22 -0.25 1.05 2.07 -0.69 -1.41 116.25 119.30 3bdm h VAL 113 Ca 0.27 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 3bdm h VAL 113 Cb 0.05 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3bdm h VAL 113 CO -0.04 0.25 -0.11 -1.28 0.02 0.00 0.00 177.57 176.40 3bdm h SER 114 N 0.98 0.39 -0.06 0.57 0.87 1.00 -1.68 113.55 115.62 3bdm h SER 114 Ca 0.24 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3bdm h SER 114 Cb 0.07 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 3bdm h SER 114 CO -0.04 0.54 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.45 3bdm h GLU 115 N 0.38 0.12 -0.63 2.24 4.39 0.02 -2.41 114.58 118.70 3bdm h GLU 115 Ca 0.07 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.78 3bdm h GLU 115 Cb 0.44 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.03 3bdm h GLU 115 CO 0.02 0.46 0.35 0.28 -1.16 0.00 0.00 179.01 178.96 3bdm h VAL 116 N -0.23 0.98 -0.70 3.13 2.07 -1.15 -1.66 116.25 118.69 3bdm h VAL 116 Ca 0.02 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.36 3bdm h VAL 116 Cb 0.42 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 3bdm h VAL 116 CO 0.01 0.12 0.41 0.00 0.02 0.00 0.00 177.57 178.13 3bdm h ALA 117 N 1.32 0.94 -0.90 1.67 0.00 -1.29 -1.49 119.26 119.51 3bdm h ALA 117 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3bdm h ALA 117 Cb 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3bdm h ALA 117 CO -0.17 0.12 0.54 -0.22 0.00 0.00 0.00 179.25 179.52 3bdm h LYS 118 N 0.77 1.23 0.50 0.00 3.64 -0.79 0.16 116.57 122.08 3bdm h LYS 118 Ca 0.30 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3bdm h LYS 118 Cb 0.14 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3bdm h LYS 118 CO -0.16 0.86 -0.34 0.82 -2.27 0.00 0.00 179.45 178.36 3bdm h ILE 119 N 1.25 0.30 -0.80 2.00 2.04 -0.65 -1.79 117.51 119.86 3bdm h ILE 119 Ca 0.32 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.24 3bdm h ILE 119 Cb -0.04 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.28 3bdm h ILE 119 CO -0.06 0.00 0.49 0.24 0.00 0.00 0.00 178.15 178.82 3bdm h MET 120 N -0.82 0.89 -0.99 2.37 2.86 -0.96 -2.09 114.93 116.19 3bdm h MET 120 Ca -0.06 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.59 3bdm h MET 120 Cb 0.68 -0.20 -0.07 0.00 0.06 0.00 0.00 31.60 32.07 3bdm h MET 120 CO 0.04 0.59 0.64 0.37 1.06 0.00 0.00 176.91 179.60 3bdm h GLN 121 N 0.91 1.13 -0.09 1.72 -0.00 -0.36 -1.23 115.11 117.19 3bdm h GLN 121 Ca 0.34 -0.07 -0.11 0.00 -0.00 0.00 0.00 58.65 58.82 3bdm h GLN 121 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 27.48 27.35 3bdm h GLN 121 CO -0.16 0.75 -0.43 0.93 0.00 0.00 0.00 178.83 179.92 3bdm h GLU 122 N 1.16 0.20 0.00 1.69 5.08 -0.66 -1.16 114.58 120.88 3bdm h GLU 122 Ca 0.42 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3bdm h GLU 122 Cb 0.16 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3bdm h GLU 122 CO -0.16 0.60 0.00 0.00 -1.00 0.00 0.00 179.01 178.44 3bdm n ALA 123 N -2.47 2.15 0.40 3.43 0.00 -0.48 0.16 120.51 123.69 3bdm n ALA 123 Ca -0.02 -0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.39 3bdm n ALA 123 Cb 0.49 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 3bdm n ALA 123 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3bdm n THR 124 N -1.02 0.00 0.00 0.00 -1.04 -0.45 -2.89 114.28 108.89 3bdm n THR 124 Ca 0.13 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 3bdm n THR 124 Cb 0.06 0.62 0.00 0.00 -1.82 0.00 0.00 70.33 69.20 3bdm n THR 124 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3bdm n GLN 125 N -1.66 2.89 -0.63 -2.82 7.27 -0.52 -4.65 117.38 117.26 3bdm n GLN 125 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.77 3bdm n GLN 125 Cb 0.31 -0.62 0.20 0.00 2.41 0.00 0.00 30.24 32.55 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 -0.93 2.15 0.48 1.69 0.01 0.12 -4.63 113.70 112.60 3bdm s SER 126 Ca 0.00 1.95 -0.21 0.00 1.31 0.00 0.00 55.95 59.00 3bdm s SER 126 Cb 0.00 -2.48 -0.08 0.00 0.21 0.00 0.00 66.02 63.67 3bdm s SER 126 CO 0.00 -3.54 1.05 -0.83 0.41 0.00 0.00 173.24 170.32 3bdm s GLY 127 N -2.60 2.55 -1.61 3.44 0.00 -1.26 -4.27 107.32 103.56 3bdm s GLY 127 Ca 0.67 0.64 -0.15 0.00 0.00 0.00 0.00 44.72 45.88 3bdm s GLY 127 CO 0.61 0.97 0.83 0.61 0.00 0.00 0.00 173.10 176.12 3bdm n GLY 128 N -0.15 -0.44 3.25 0.20 0.00 0.88 -4.86 105.19 104.07 3bdm n GLY 128 Ca 0.09 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.35 0.09 0.23 1.61 -7.23 -1.26 -5.02 120.40 105.47 3bdm s VAL 129 Ca 0.64 -1.58 0.08 0.00 -1.81 0.00 0.00 61.98 59.31 3bdm s VAL 129 Cb -0.34 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 3bdm s VAL 129 CO 0.89 -0.41 0.03 0.00 -0.31 0.00 0.00 175.10 175.30 3bdm s ARG 130 N -3.99 2.43 1.17 4.82 1.70 -1.26 -4.37 118.95 119.45 3bdm s ARG 130 Ca 0.19 -1.26 -0.16 0.00 -0.47 0.00 0.00 55.73 54.03 3bdm s ARG 130 Cb 0.05 -2.29 0.27 0.00 -0.57 0.00 0.00 34.95 32.42 3bdm s ARG 130 CO -0.00 0.40 1.04 -2.14 -1.08 0.00 0.00 175.30 173.52 3bdm s PRO 131 N -3.47 -0.97 0.06 3.89 0.02 -1.14 -4.79 135.00 128.60 3bdm s PRO 131 Ca 0.30 0.43 -0.26 0.00 0.02 0.00 0.00 61.00 61.50 3bdm s PRO 131 Cb -0.08 -1.58 -0.06 0.00 0.02 0.00 0.00 34.50 32.81 3bdm s PRO 131 CO 0.20 -3.66 0.80 -0.06 -0.33 0.00 0.00 177.00 173.96 3bdm s PHE 132 N -2.69 3.75 -0.37 6.54 0.40 -1.26 -4.96 117.98 119.39 3bdm s PHE 132 Ca 0.68 1.53 -0.03 0.00 -0.60 0.00 0.00 56.93 58.51 3bdm s PHE 132 Cb -0.18 -2.86 0.08 0.00 0.51 0.00 0.00 43.02 40.57 3bdm s PHE 132 CO 0.60 0.27 2.61 0.41 0.70 0.00 0.00 175.22 179.81 3bdm n GLY 133 N 2.34 4.16 3.40 4.36 0.00 -1.26 -4.56 105.19 113.64 3bdm n GLY 133 Ca -0.02 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 3bdm n GLY 133 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bdm s VAL 134 N -1.99 0.02 0.01 1.61 -7.23 -1.26 -0.64 120.40 110.91 3bdm s VAL 134 Ca 0.51 -1.56 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 3bdm s VAL 134 Cb 0.33 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 35.10 3bdm s VAL 134 CO -0.14 -0.10 -0.07 -0.44 -0.31 0.00 0.00 175.10 174.04 3bdm s SER 135 N -3.04 0.81 0.09 4.85 0.01 -0.92 -3.49 113.70 112.01 3bdm s SER 135 Ca 0.25 -0.21 0.09 0.00 1.31 0.00 0.00 55.95 57.40 3bdm s SER 135 Cb 0.03 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 3bdm s SER 135 CO 0.07 0.03 -0.23 -0.76 0.41 0.00 0.00 173.24 172.75 3bdm s LEU 136 N -0.44 2.42 -0.32 2.44 1.43 -0.44 -2.74 118.68 121.02 3bdm s LEU 136 Ca 0.00 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.50 3bdm s LEU 136 Cb -0.04 -1.36 0.07 0.00 0.03 0.00 0.00 46.19 44.89 3bdm s LEU 136 CO -0.00 0.21 0.02 -0.76 0.23 0.00 0.00 176.35 176.05 3bdm s LEU 137 N -1.76 4.21 -0.19 1.79 1.43 -0.16 -1.05 118.68 122.95 3bdm s LEU 137 Ca 0.14 -1.64 -0.07 0.00 -1.03 0.00 0.00 54.13 51.54 3bdm s LEU 137 Cb -0.10 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 3bdm s LEU 137 CO 0.06 -0.32 0.04 -0.63 0.23 0.00 0.00 176.35 175.73 3bdm s ILE 138 N 1.11 4.55 -0.02 -0.59 1.01 -0.23 -2.31 121.20 124.72 3bdm s ILE 138 Ca -0.00 -0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.58 3bdm s ILE 138 Cb -0.20 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 3bdm s ILE 138 CO -0.04 0.45 -0.18 0.00 0.00 0.00 0.00 174.94 175.17 3bdm s ALA 139 N 0.55 1.51 0.16 9.38 0.00 -0.39 -0.93 121.76 132.04 3bdm s ALA 139 Ca 0.02 -0.75 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 3bdm s ALA 139 Cb -0.13 -0.42 0.04 0.00 0.00 0.00 0.00 23.12 22.61 3bdm s ALA 139 CO 0.01 0.34 0.54 0.41 0.00 0.00 0.00 175.76 177.07 3bdm n GLY 140 N 2.78 1.11 3.19 0.00 0.00 -0.83 -0.46 105.19 110.98 3bdm n GLY 140 Ca -0.16 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 3bdm n GLY 140 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3bdm s HIS 141 N -4.27 -0.36 0.01 1.61 5.65 -0.57 -1.03 115.29 116.33 3bdm s HIS 141 Ca 0.12 0.87 -0.00 0.00 0.25 0.00 0.00 55.06 56.30 3bdm s HIS 141 Cb -0.02 0.12 -0.01 0.00 -1.18 0.00 0.00 32.58 31.49 3bdm s HIS 141 CO 0.05 -0.19 -0.02 0.16 -0.65 0.00 0.00 174.74 174.10 3bdm s ASP 142 N 0.38 0.17 0.33 9.88 1.47 -0.53 -4.83 116.67 123.54 3bdm s ASP 142 Ca -0.02 -0.37 0.11 0.00 1.18 0.00 0.00 52.55 53.45 3bdm s ASP 142 Cb -0.04 0.08 0.99 0.00 -0.34 0.00 0.00 42.92 43.62 3bdm s ASP 142 CO -0.02 -0.23 1.65 -0.08 0.68 0.00 0.00 175.17 177.17 3bdm h GLU 143 N 4.98 0.24 -0.02 2.11 4.81 -2.00 0.41 114.58 125.10 3bdm h GLU 143 Ca -0.30 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3bdm h GLU 143 Cb 1.21 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3bdm h GLU 143 CO 0.43 0.16 -0.01 1.19 -0.73 0.00 0.00 179.01 180.05 3bdm n PHE 144 N -5.14 0.00 -0.02 0.92 3.01 -1.26 -4.39 117.46 110.58 3bdm n PHE 144 Ca 0.29 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.75 3bdm n PHE 144 Cb 0.92 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.39 3bdm n PHE 144 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3bdm n ASN 145 N 0.86 0.04 0.00 4.37 3.02 -0.72 -5.13 115.26 117.70 3bdm n ASN 145 Ca 0.16 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 3bdm n ASN 145 Cb 0.50 0.58 0.00 0.00 -0.61 0.00 0.00 39.78 40.25 3bdm n ASN 145 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bdm n GLY 146 N 0.58 0.83 3.95 7.41 0.00 0.05 -4.80 105.19 113.21 3bdm n GLY 146 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 3bdm n GLY 146 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bdm s PHE 147 N 0.00 3.48 0.18 1.61 0.40 -1.26 -1.45 117.98 120.93 3bdm s PHE 147 Ca 0.00 0.10 -0.20 0.00 -0.60 0.00 0.00 56.93 56.22 3bdm s PHE 147 Cb 0.00 -1.65 0.05 0.00 0.51 0.00 0.00 43.02 41.93 3bdm s PHE 147 CO 0.00 0.49 0.56 -1.54 0.70 0.00 0.00 175.22 175.43 3bdm s SER 14 N -3.41 -0.40 -0.05 1.36 1.04 -0.20 -4.97 113.70 107.07 3bdm s SER 14 Ca 0.35 -0.24 -0.02 0.00 0.48 0.00 0.00 55.95 56.52 3bdm s SER 14 Cb -0.11 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.64 3bdm s SER 14 CO 0.29 -1.01 0.09 -0.22 0.98 0.00 0.00 173.24 173.36 3bdm s LEU 148 N -2.81 0.57 0.17 2.42 2.96 -1.26 -1.97 118.68 118.76 3bdm s LEU 148 Ca 0.04 0.17 0.07 0.00 -0.22 0.00 0.00 54.13 54.19 3bdm s LEU 148 Cb -0.01 0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.72 3bdm s LEU 148 CO -0.08 -0.18 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.31 3bdm s TYR 149 N 1.57 1.57 -0.07 5.38 2.02 -0.11 -1.15 117.35 126.57 3bdm s TYR 149 Ca -0.04 -0.58 0.03 0.00 -0.37 0.00 0.00 57.07 56.12 3bdm s TYR 149 Cb -0.12 -0.77 0.00 0.00 -0.40 0.00 0.00 41.96 40.67 3bdm s TYR 149 CO -0.04 0.25 -0.17 -1.14 -1.57 0.00 0.00 175.55 172.88 3bdm s GLN 150 N -3.24 2.06 -0.14 -0.62 0.74 -0.59 -1.07 119.66 116.80 3bdm s GLN 150 Ca 0.17 -0.60 0.02 0.00 0.05 0.00 0.00 55.36 55.00 3bdm s GLN 150 Cb -0.02 -1.68 0.01 0.00 1.10 0.00 0.00 33.01 32.42 3bdm s GLN 150 CO 0.05 0.14 -0.22 0.08 -0.55 0.00 0.00 175.29 174.79 3bdm s VAL 151 N 0.36 2.04 0.31 1.34 1.01 -0.21 -2.24 120.40 123.00 3bdm s VAL 151 Ca -0.12 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 60.93 3bdm s VAL 151 Cb -0.15 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 3bdm s VAL 151 CO 0.04 0.55 0.47 -1.81 0.00 0.00 0.00 175.10 174.35 3bdm s ASP 152 N 0.83 6.23 0.56 3.32 -0.00 -0.02 -1.33 116.67 126.25 3bdm s ASP 152 Ca -0.07 0.21 0.27 0.00 -0.00 0.00 0.00 52.55 52.96 3bdm s ASP 152 Cb -0.15 -1.83 1.48 0.00 -0.00 0.00 0.00 42.92 42.42 3bdm s ASP 152 CO -0.02 -0.25 2.00 -0.65 -0.00 0.00 0.00 175.17 176.25 3bdm h PRO 153 N 0.91 0.00 0.00 8.23 0.11 -1.80 0.34 132.00 139.79 3bdm h PRO 153 Ca -0.50 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3bdm h PRO 153 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3bdm h PRO 153 CO 0.60 0.00 -0.18 0.66 -0.21 0.00 0.00 178.00 178.86 3bdm h SER 154 N 0.00 0.00 0.00 -2.05 4.64 -1.90 -3.42 113.55 110.82 3bdm h SER 154 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3bdm h SER 154 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3bdm h SER 154 CO -0.00 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 3bdm n GLY 155 N -0.81 0.95 3.90 -0.77 0.00 0.12 -4.39 105.19 104.20 3bdm n GLY 155 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 3bdm n GLY 155 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bdm s SER 156 N -1.92 6.06 0.03 1.61 0.01 -1.24 -4.74 113.70 113.50 3bdm s SER 156 Ca 0.00 0.97 -0.24 0.00 1.31 0.00 0.00 55.95 57.99 3bdm s SER 156 Cb 0.00 -2.14 0.06 0.00 0.21 0.00 0.00 66.02 64.14 3bdm s SER 156 CO 0.00 -0.78 0.56 -0.72 0.41 0.00 0.00 173.24 172.71 3bdm s TYR 157 N -2.91 -0.48 0.04 2.43 -0.85 -1.26 -0.84 117.35 113.48 3bdm s TYR 157 Ca 0.51 0.63 -0.19 0.00 -0.52 0.00 0.00 57.07 57.50 3bdm s TYR 157 Cb -0.10 0.36 0.04 0.00 0.38 0.00 0.00 41.96 42.64 3bdm s TYR 157 CO 0.47 -0.64 0.42 -0.59 -1.52 0.00 0.00 175.55 173.70 3bdm s PHE 158 N -2.15 -0.29 0.36 -3.49 -0.12 -0.95 -4.95 117.98 106.39 3bdm s PHE 158 Ca -0.07 0.27 -0.15 0.00 -0.05 0.00 0.00 56.93 56.93 3bdm s PHE 158 Cb -0.01 0.23 -0.09 0.00 -0.63 0.00 0.00 43.02 42.52 3bdm s PHE 158 CO 0.01 -0.57 0.78 -1.25 -0.05 0.00 0.00 175.22 174.13 3bdm s PRO 159 N -2.41 4.00 0.03 1.99 0.04 -1.26 -1.54 135.00 135.84 3bdm s PRO 159 Ca -0.06 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.70 3bdm s PRO 159 Cb -0.01 -2.38 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 3bdm s PRO 159 CO -0.02 0.09 -0.04 -1.58 0.04 0.00 0.00 177.00 175.50 3bdm s TRP 160 N -2.09 0.34 0.04 0.56 0.52 -0.30 -4.96 118.94 113.06 3bdm s TRP 160 Ca 0.55 -0.60 0.04 0.00 0.02 0.00 0.00 56.10 56.11 3bdm s TRP 160 Cb -0.10 -0.24 -0.24 0.00 -1.15 0.00 0.00 33.47 31.74 3bdm s TRP 160 CO 0.19 -0.20 0.99 0.87 0.02 0.00 0.00 176.95 178.82 3bdm h LYS 161 N 4.41 0.10 -1.69 4.98 1.57 -1.94 -3.38 116.57 120.63 3bdm h LYS 161 Ca -0.33 -0.18 0.15 0.00 -1.87 0.00 0.00 60.65 58.42 3bdm h LYS 161 Cb 1.20 0.07 -0.20 0.00 0.08 0.00 0.00 32.23 33.37 3bdm h LYS 161 CO 0.45 0.94 0.64 0.00 -0.57 0.00 0.00 179.45 180.91 3bdm s ALA 162 N -2.65 -1.95 -0.08 3.86 0.00 -1.26 0.11 121.76 119.79 3bdm s ALA 162 Ca -0.04 1.46 -0.32 0.00 0.00 0.00 0.00 51.96 53.06 3bdm s ALA 162 Cb 0.08 -0.34 0.13 0.00 0.00 0.00 0.00 23.12 22.99 3bdm s ALA 162 CO 0.84 -0.47 1.32 -0.08 0.00 0.00 0.00 175.76 177.36 3bdm s THR 163 N -1.96 0.00 0.07 0.00 -1.32 -0.33 -4.99 115.64 107.10 3bdm s THR 163 Ca 0.04 -0.13 -0.06 0.00 -1.21 0.00 0.00 61.69 60.33 3bdm s THR 163 Cb -0.01 -1.77 -0.01 0.00 -1.51 0.00 0.00 72.50 69.20 3bdm s THR 163 CO -0.04 0.00 0.11 0.00 -2.21 0.00 0.00 174.62 172.49 3bdm s ALA 164 N -2.31 0.02 0.14 11.08 0.00 -1.26 -0.54 121.76 128.88 3bdm s ALA 164 Ca 0.13 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 3bdm s ALA 164 Cb 0.04 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 3bdm s ALA 164 CO -0.04 -0.44 0.20 0.96 0.00 0.00 0.00 175.76 176.43 3bdm s ILE 165 N -3.73 0.10 0.00 0.00 -4.36 -0.45 -4.85 121.20 107.92 3bdm s ILE 165 Ca 0.04 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 3bdm s ILE 165 Cb 0.05 -1.77 0.00 0.00 1.25 0.00 0.00 42.46 41.99 3bdm s ILE 165 CO -0.10 -0.44 0.00 0.61 0.24 0.00 0.00 174.94 175.25 3bdm n GLY 166 N -0.14 -1.87 0.00 6.27 0.00 -1.26 -1.98 105.19 106.21 3bdm n GLY 166 Ca -0.09 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.93 3bdm n GLY 166 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bdm n LYS 167 N 0.00 0.00 -0.67 1.61 5.02 0.35 -2.61 118.16 121.86 3bdm n LYS 167 Ca 0.00 0.38 -0.10 0.00 -2.02 0.00 0.00 58.31 56.57 3bdm n LYS 167 Cb 0.00 -0.84 0.03 0.00 -0.02 0.00 0.00 35.03 34.21 3bdm n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bdm n GLY 168 N -0.79 3.39 0.08 0.72 0.00 -1.26 -4.52 105.19 102.80 3bdm n GLY 168 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 3bdm n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bdm h SER 169 N 1.07 0.13 -0.16 1.61 4.64 -1.75 -0.81 113.55 118.29 3bdm h SER 169 Ca 0.20 -0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.56 3bdm h SER 169 Cb 1.10 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 63.09 3bdm h SER 169 CO 0.47 0.10 -0.31 0.58 -0.87 0.00 0.00 176.83 176.81 3bdm h VAL 170 N 0.15 0.30 0.29 0.95 2.07 -1.85 0.82 116.25 118.98 3bdm h VAL 170 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3bdm h VAL 170 Cb -0.01 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3bdm h VAL 170 CO -0.01 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.40 3bdm h ALA 171 N 0.49 -0.44 -0.67 1.67 0.00 -1.90 -2.53 119.26 115.88 3bdm h ALA 171 Ca 0.10 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3bdm h ALA 171 Cb 0.53 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 3bdm h ALA 171 CO -0.36 -0.76 0.32 0.00 0.00 0.00 0.00 179.25 178.45 3bdm h ALA 172 N 0.25 0.90 0.12 0.00 0.00 -0.58 -1.36 119.26 118.59 3bdm h ALA 172 Ca -0.03 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3bdm h ALA 172 Cb 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3bdm h ALA 172 CO 0.03 -0.08 -0.15 0.87 0.00 0.00 0.00 179.25 179.92 3bdm h LYS 173 N 0.55 -0.30 -0.36 0.00 1.57 0.77 -0.88 116.57 117.93 3bdm h LYS 173 Ca 0.33 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.20 3bdm h LYS 173 Cb 0.34 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.65 3bdm h LYS 173 CO -0.26 -0.20 -0.09 1.15 -0.57 0.00 0.00 179.45 179.48 3bdm h THR 174 N -0.31 0.63 -0.89 -0.16 2.02 -0.99 0.56 112.91 113.77 3bdm h THR 174 Ca 0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.25 3bdm h THR 174 Cb 0.31 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 3bdm h THR 174 CO -0.06 0.00 0.58 0.15 0.37 0.00 0.00 175.52 176.56 3bdm h PHE 175 N -0.00 1.04 -0.19 3.16 3.57 -0.93 -2.56 116.94 121.03 3bdm h PHE 175 Ca 0.17 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 3bdm h PHE 175 Cb 0.27 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 3bdm h PHE 175 CO -0.33 0.56 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.09 3bdm h LEU 176 N 1.03 0.45 -2.00 0.59 3.38 0.13 -2.63 115.31 116.27 3bdm h LEU 176 Ca 0.38 -0.45 0.19 0.00 0.09 0.00 0.00 57.88 58.09 3bdm h LEU 176 Cb 0.16 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3bdm h LEU 176 CO -0.14 0.81 0.50 -0.33 0.09 0.00 0.00 178.44 179.37 3bdm h GLU 177 N 0.10 0.00 0.00 1.13 5.08 -0.55 0.15 114.58 120.49 3bdm h GLU 177 Ca 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3bdm h GLU 177 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3bdm h GLU 177 CO 0.04 0.00 -0.02 0.87 -1.00 0.00 0.00 179.01 178.90 3bdm h LYS 178 N 0.00 0.01 0.00 2.33 1.57 -1.29 -3.37 116.57 115.82 3bdm h LYS 178 Ca 0.32 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.97 3bdm h LYS 178 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 3bdm h LYS 178 CO -0.00 0.83 -0.53 0.00 -0.57 0.00 0.00 179.45 179.18 3bdm h ARG 179 N -0.80 0.00 -6.93 3.15 2.47 -0.97 -3.47 114.38 107.83 3bdm h ARG 179 Ca -0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 3bdm h ARG 179 Cb 0.84 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 29.19 3bdm h ARG 179 CO 0.00 0.53 0.46 -0.46 0.56 0.00 0.00 179.97 181.06 3bdm s TRP 180 N -2.95 3.22 0.21 3.04 -0.00 0.44 -5.05 118.94 117.85 3bdm s TRP 180 Ca 0.04 1.62 -0.14 0.00 -0.00 0.00 0.00 56.10 57.61 3bdm s TRP 180 Cb 0.08 -3.26 0.01 0.00 -0.00 0.00 0.00 33.47 30.30 3bdm s TRP 180 CO 0.75 -0.90 0.47 0.54 -0.00 0.00 0.00 176.95 177.80 3bdm s ASN 181 N -1.31 -0.13 -0.35 5.86 2.20 -1.26 -4.97 114.94 114.98 3bdm s ASN 181 Ca 0.56 -0.74 0.00 0.00 -0.94 0.00 0.00 52.86 51.74 3bdm s ASN 181 Cb -0.27 0.56 0.32 0.00 -2.00 0.00 0.00 41.25 39.86 3bdm s ASN 181 CO 0.34 -1.07 1.83 -0.90 -2.94 0.00 0.00 177.10 174.36 3bdm n ASP 182 N -0.34 5.43 -0.02 3.54 3.85 -1.26 -3.76 116.55 123.98 3bdm n ASP 182 Ca -0.06 -3.12 0.00 0.00 -0.71 0.00 0.00 54.79 50.90 3bdm n ASP 182 Cb 0.62 -0.90 0.00 0.00 -1.35 0.00 0.00 41.12 39.49 3bdm n ASP 182 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3bdm n GLU 183 N -0.16 0.01 -2.19 0.11 1.02 -1.26 -4.95 120.64 113.22 3bdm n GLU 183 Ca 0.37 -0.53 -0.41 0.00 -0.02 0.00 0.00 57.16 56.57 3bdm n GLU 183 Cb 0.84 -0.50 -0.03 0.00 -0.02 0.00 0.00 31.44 31.73 3bdm n GLU 183 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3bdm s LEU 184 N -0.00 4.45 0.37 -4.62 1.43 -1.25 -4.89 118.68 114.17 3bdm s LEU 184 Ca 0.00 2.57 -0.02 0.00 -1.03 0.00 0.00 54.13 55.65 3bdm s LEU 184 Cb 0.00 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 3bdm s LEU 184 CO 0.00 -0.47 0.61 -0.70 0.23 0.00 0.00 176.35 176.02 3bdm s GLU 185 N -1.42 3.52 0.18 1.70 -6.30 -1.26 -0.56 118.70 114.56 3bdm s GLU 185 Ca 0.50 -0.15 -0.17 0.00 -2.50 0.00 0.00 54.97 52.64 3bdm s GLU 185 Cb -0.38 -2.59 0.14 0.00 0.00 0.00 0.00 34.13 31.30 3bdm s GLU 185 CO 0.48 0.07 1.64 1.25 0.02 0.00 0.00 175.26 178.72 3bdm h LEU 186 N 0.76 -0.61 -0.70 2.70 5.85 -1.91 -1.88 115.31 119.52 3bdm h LEU 186 Ca -0.49 0.16 0.13 0.00 0.84 0.00 0.00 57.88 58.52 3bdm h LEU 186 Cb 1.21 0.36 -0.09 0.00 0.37 0.00 0.00 40.66 42.51 3bdm h LEU 186 CO 0.62 -0.21 0.26 -0.33 -0.34 0.00 0.00 178.44 178.44 3bdm h GLU 187 N -0.07 0.40 -0.35 1.25 4.39 -1.97 -0.87 114.58 117.35 3bdm h GLU 187 Ca 0.23 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.96 3bdm h GLU 187 Cb 0.42 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 3bdm h GLU 187 CO -0.52 0.26 0.04 -0.44 -1.16 0.00 0.00 179.01 177.19 3bdm h ASP 188 N 0.41 -0.06 -0.57 1.42 3.45 -1.74 0.23 116.42 119.57 3bdm h ASP 188 Ca 0.38 0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.87 3bdm h ASP 188 Cb 0.55 0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 39.40 3bdm h ASP 188 CO -0.39 0.01 0.24 0.00 -1.57 0.00 0.00 179.24 177.53 3bdm h ALA 189 N 1.28 1.28 -0.44 3.45 0.00 -0.92 0.10 119.26 124.01 3bdm h ALA 189 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3bdm h ALA 189 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3bdm h ALA 189 CO -0.25 0.53 0.19 0.82 0.00 0.00 0.00 179.25 180.54 3bdm h ILE 190 N 0.87 1.19 0.58 0.00 2.04 -0.21 0.34 117.51 122.32 3bdm h ILE 190 Ca 0.21 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 3bdm h ILE 190 Cb 0.17 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3bdm h ILE 190 CO -0.02 0.21 -0.29 -0.74 0.00 0.00 0.00 178.15 177.32 3bdm h HIS 191 N 0.56 -0.75 -0.93 1.37 2.76 -0.40 -0.50 115.15 117.27 3bdm h HIS 191 Ca 0.15 -0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.45 3bdm h HIS 191 Cb 0.15 0.25 -0.09 0.00 1.55 0.00 0.00 27.41 29.27 3bdm h HIS 191 CO -0.00 -0.46 0.53 0.82 -1.30 0.00 0.00 177.93 177.52 3bdm h ILE 192 N -0.79 0.77 0.23 6.26 1.08 -0.63 -0.16 117.51 124.27 3bdm h ILE 192 Ca -0.08 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 64.13 3bdm h ILE 192 Cb 0.61 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 3bdm h ILE 192 CO 0.12 0.14 -0.17 0.00 -0.69 0.00 0.00 178.15 177.55 3bdm h ALA 193 N 1.57 -0.39 -0.87 1.87 0.00 0.11 0.87 119.26 122.42 3bdm h ALA 193 Ca 0.50 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.41 3bdm h ALA 193 Cb 0.67 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3bdm h ALA 193 CO -0.34 -0.73 0.57 -0.07 0.00 0.00 0.00 179.25 178.67 3bdm h LEU 194 N -0.41 0.86 0.70 0.00 3.38 -0.05 -0.58 115.31 119.22 3bdm h LEU 194 Ca -0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3bdm h LEU 194 Cb 0.36 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.94 3bdm h LEU 194 CO -0.01 0.55 -0.34 -0.07 0.09 0.00 0.00 178.44 178.66 3bdm h LEU 195 N 0.97 -0.80 -0.94 1.67 3.38 -0.48 -1.99 115.31 117.12 3bdm h LEU 195 Ca 0.38 0.03 0.25 0.00 0.09 0.00 0.00 57.88 58.63 3bdm h LEU 195 Cb 0.22 0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.05 3bdm h LEU 195 CO -0.14 -0.50 0.45 0.74 0.09 0.00 0.00 178.44 179.08 3bdm h THR 196 N -1.10 0.42 -0.58 0.22 2.02 -0.58 0.71 112.91 114.02 3bdm h THR 196 Ca -0.10 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 66.87 3bdm h THR 196 Cb 0.73 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3bdm h THR 196 CO 0.16 0.07 0.03 0.25 0.37 0.00 0.00 175.52 176.40 3bdm h LEU 197 N 0.39 0.95 -1.24 2.58 5.85 -1.05 -3.11 115.31 119.67 3bdm h LEU 197 Ca 0.62 -0.24 0.20 0.00 0.84 0.00 0.00 57.88 59.29 3bdm h LEU 197 Cb 1.25 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.93 3bdm h LEU 197 CO -0.56 0.98 0.61 0.50 -0.34 0.00 0.00 178.44 179.64 3bdm h LYS 198 N 0.91 0.59 -0.11 1.25 3.64 -0.06 -1.82 116.57 120.96 3bdm h LYS 198 Ca 0.17 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3bdm h LYS 198 Cb 0.49 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3bdm h LYS 198 CO 0.02 0.39 0.04 0.93 -2.27 0.00 0.00 179.45 178.56 3bdm h GLU 199 N 0.60 0.18 0.00 1.90 4.39 -1.57 -2.81 114.58 117.27 3bdm h GLU 199 Ca 0.53 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.20 3bdm h GLU 199 Cb 1.04 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 3bdm h GLU 199 CO -0.29 0.31 0.00 0.43 -1.16 0.00 0.00 179.01 178.30 3bdm n SER 200 N -4.89 0.35 -4.62 1.42 7.64 -0.74 -4.67 113.62 108.11 3bdm n SER 200 Ca -0.05 0.59 -0.40 0.00 1.01 0.00 0.00 58.87 60.02 3bdm n SER 200 Cb 0.13 -0.66 -0.07 0.00 -1.01 0.00 0.00 64.21 62.59 3bdm n SER 200 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3bdm s VAL 202 N -3.17 5.08 0.00 0.44 1.01 -0.90 -4.97 120.40 117.88 3bdm s VAL 202 Ca 0.05 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.91 3bdm s VAL 202 Cb 0.09 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3bdm s VAL 202 CO 0.32 0.10 0.07 -0.62 0.00 0.00 0.00 175.10 174.97 3bdm n GLU 203 N 5.43 0.00 0.00 2.72 4.71 -1.26 -4.96 120.64 127.28 3bdm n GLU 203 Ca -0.04 0.23 0.00 0.00 -0.01 0.00 0.00 57.16 57.33 3bdm n GLU 203 Cb 0.50 -0.77 0.00 0.00 -1.01 0.00 0.00 31.44 30.16 3bdm n GLU 203 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3bdm n GLY 204 N 2.00 -1.60 3.78 0.62 0.00 -1.26 -4.96 105.19 103.77 3bdm n GLY 204 Ca 0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 3bdm n GLY 204 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bdm s GLU 205 N 0.00 3.31 -0.35 1.61 0.41 -1.26 -5.03 118.70 117.38 3bdm s GLU 205 Ca 0.00 1.45 0.01 0.00 -0.41 0.00 0.00 54.97 56.01 3bdm s GLU 205 Cb 0.00 -2.01 0.14 0.00 -1.78 0.00 0.00 34.13 30.48 3bdm s GLU 205 CO 0.00 -0.86 0.27 0.12 -0.49 0.00 0.00 175.26 174.30 3bdm s PHE 206 N -2.05 0.30 0.33 1.61 5.36 -1.26 -4.93 117.98 117.33 3bdm s PHE 206 Ca 0.69 -1.26 -0.04 0.00 -0.96 0.00 0.00 56.93 55.36 3bdm s PHE 206 Cb -0.20 -0.72 0.00 0.00 -0.34 0.00 0.00 43.02 41.76 3bdm s PHE 206 CO 0.31 -0.88 0.47 0.54 -1.46 0.00 0.00 175.22 174.20 3bdm s ASN 207 N 1.29 0.71 0.00 6.13 2.20 -1.26 -5.02 114.94 118.99 3bdm s ASN 207 Ca 0.17 -1.39 0.00 0.00 -0.94 0.00 0.00 52.86 50.70 3bdm s ASN 207 Cb -0.20 0.65 0.00 0.00 -2.00 0.00 0.00 41.25 39.70 3bdm s ASN 207 CO -0.03 -1.28 0.84 0.61 -2.94 0.00 0.00 177.10 174.30 3bdm n GLY 208 N -0.53 -0.35 0.63 0.45 0.00 -1.26 -0.97 105.19 103.16 3bdm n GLY 208 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3bdm n GLY 208 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bdm n ASP 209 N -1.34 2.27 0.00 1.61 8.00 -1.26 -4.29 116.55 121.54 3bdm n ASP 209 Ca 0.00 -1.63 0.00 0.00 0.71 0.00 0.00 54.79 53.87 3bdm n ASP 209 Cb 0.03 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3bdm n ASP 209 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3bdm n THR 20 N 0.65 0.00 -4.64 -3.53 -2.24 -0.14 -4.91 114.28 99.47 3bdm n THR 20 Ca 0.10 -0.37 -0.33 0.00 -2.27 0.00 0.00 64.05 61.18 3bdm n THR 20 Cb 0.43 0.95 -0.13 0.00 -2.10 0.00 0.00 70.33 69.49 3bdm n THR 20 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3bdm s ILE 210 N -0.86 3.49 -0.20 2.28 1.01 -0.71 0.20 121.20 126.40 3bdm s ILE 210 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.14 3bdm s ILE 210 Cb 0.00 -2.46 0.03 0.00 0.01 0.00 0.00 42.46 40.04 3bdm s ILE 210 CO 0.00 0.54 -0.17 -0.70 0.00 0.00 0.00 174.94 174.61 3bdm s GLU 211 N -0.10 2.80 0.00 2.79 2.12 -0.92 -4.79 118.70 120.61 3bdm s GLU 211 Ca 0.00 -0.96 0.01 0.00 0.36 0.00 0.00 54.97 54.38 3bdm s GLU 211 Cb -0.13 -2.66 -0.00 0.00 0.26 0.00 0.00 34.13 31.59 3bdm s GLU 211 CO 0.03 -0.30 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.25 3bdm s LEU 212 N 1.24 2.03 0.07 2.70 0.20 -1.26 -1.64 118.68 122.02 3bdm s LEU 212 Ca 0.01 -0.10 0.02 0.00 0.69 0.00 0.00 54.13 54.76 3bdm s LEU 212 Cb -0.15 -0.11 -0.03 0.00 -0.43 0.00 0.00 46.19 45.46 3bdm s LEU 212 CO -0.11 -0.00 -0.07 0.00 -0.29 0.00 0.00 176.35 175.88 3bdm s ALA 213 N -0.20 0.76 0.10 5.97 0.00 -0.48 -1.02 121.76 126.89 3bdm s ALA 213 Ca -0.01 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 50.92 3bdm s ALA 213 Cb -0.02 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 3bdm s ALA 213 CO -0.00 -0.16 -0.16 0.96 0.00 0.00 0.00 175.76 176.40 3bdm s ILE 214 N -2.74 1.33 -0.58 0.00 -4.36 -0.10 -1.44 121.20 113.30 3bdm s ILE 214 Ca 0.02 -1.51 -0.00 0.00 -0.26 0.00 0.00 60.65 58.90 3bdm s ILE 214 Cb -0.01 -1.35 0.15 0.00 1.25 0.00 0.00 42.46 42.50 3bdm s ILE 214 CO -0.03 -0.26 0.37 -0.63 0.24 0.00 0.00 174.94 174.63 3bdm s ILE 215 N -1.56 3.26 0.00 8.37 1.09 -0.21 -0.40 121.20 131.76 3bdm s ILE 215 Ca 0.04 -3.10 0.00 0.00 -1.10 0.00 0.00 60.65 56.49 3bdm s ILE 215 Cb -0.08 -3.17 0.00 0.00 -1.06 0.00 0.00 42.46 38.15 3bdm s ILE 215 CO 0.03 -0.84 0.00 0.61 -0.10 0.00 0.00 174.94 174.64 3bdm n GLY 216 N 3.35 1.46 3.94 6.18 0.00 -0.59 -2.05 105.19 117.47 3bdm n GLY 216 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3bdm n GLY 216 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bdm s ASP 217 N 0.44 4.97 0.08 1.61 1.01 -1.26 -4.79 116.67 118.73 3bdm s ASP 217 Ca 0.00 0.31 -0.31 0.00 0.71 0.00 0.00 52.55 53.26 3bdm s ASP 217 Cb 0.00 -1.03 -0.07 0.00 1.01 0.00 0.00 42.92 42.83 3bdm s ASP 217 CO 0.00 -1.45 1.33 -1.61 0.21 0.00 0.00 175.17 173.65 3bdm s GLU 21 N -5.09 4.35 -0.87 8.23 2.02 -1.26 -4.17 118.70 121.90 3bdm s GLU 21 Ca 0.59 1.96 -0.13 0.00 0.02 0.00 0.00 54.97 57.42 3bdm s GLU 21 Cb -0.11 -3.33 0.23 0.00 0.10 0.00 0.00 34.13 31.02 3bdm s GLU 21 CO 0.43 -0.41 0.82 -0.80 0.02 0.00 0.00 175.26 175.32 3bdm s ASN 21 N 1.22 6.81 0.40 -0.19 0.01 -0.39 -4.87 114.94 117.94 3bdm s ASN 21 Ca 0.63 -2.86 0.06 0.00 -0.71 0.00 0.00 52.86 49.98 3bdm s ASN 21 Cb -0.34 -2.20 0.82 0.00 0.41 0.00 0.00 41.25 39.94 3bdm s ASN 21 CO 0.29 -0.51 2.04 1.55 -1.51 0.00 0.00 177.10 178.96 3bdm h PRO 21 N 7.55 0.57 -1.99 -0.60 0.13 -1.79 -3.27 132.00 132.60 3bdm h PRO 21 Ca 0.12 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3bdm h PRO 21 Cb 1.01 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3bdm h PRO 21 CO 0.79 0.39 0.00 -0.40 -0.23 0.00 0.00 178.00 178.56 3bdm n ASP 21 N -4.46 0.43 0.00 1.44 5.75 -1.26 -4.46 116.55 113.99 3bdm n ASP 21 Ca 0.03 -1.05 0.00 0.00 -0.01 0.00 0.00 54.79 53.76 3bdm n ASP 21 Cb 0.07 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 3bdm n ASP 21 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3bdm n LEU 21 N 1.89 0.00 0.00 -2.12 7.94 -1.23 -5.03 117.00 118.45 3bdm n LEU 21 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3bdm n LEU 21 Cb 0.04 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.99 3bdm n LEU 21 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 3bdm n GLY 21 N 0.00 0.81 3.43 -3.96 0.00 -1.26 -5.04 105.19 99.17 3bdm n GLY 21 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3bdm n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bdm s TYR 21 N -2.19 -0.20 0.14 1.61 1.13 -1.26 -5.19 117.35 111.40 3bdm s TYR 21 Ca 0.00 -0.11 0.01 0.00 -1.41 0.00 0.00 57.07 55.56 3bdm s TYR 21 Cb 0.00 0.37 -0.04 0.00 -1.10 0.00 0.00 41.96 41.18 3bdm s TYR 21 CO 0.00 -0.83 -0.00 0.95 -2.51 0.00 0.00 175.55 173.16 3bdm s THR 21 N -3.83 0.54 0.00 -3.49 -4.23 -1.26 -4.92 115.64 98.44 3bdm s THR 21 Ca 0.06 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 3bdm s THR 21 Cb 0.00 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.84 3bdm s THR 21 CO -0.07 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.05 3bdm n GLY 21 N -0.16 1.35 2.51 3.99 0.00 -1.26 -5.07 105.19 106.55 3bdm n GLY 21 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 3bdm n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdm s ILE 21 N -2.00 0.56 0.07 -0.61 1.01 -1.26 -5.04 121.20 113.92 3bdm s ILE 21 Ca 0.00 -2.23 -0.14 0.00 0.00 0.00 0.00 60.65 58.29 3bdm s ILE 21 Cb 0.00 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 3bdm s ILE 21 CO 0.00 -1.04 0.69 -2.65 0.00 0.00 0.00 174.94 171.95 3bdm n PRO 21 N 3.55 -0.19 0.31 2.79 -0.02 -1.26 -0.35 135.00 139.83 3bdm n PRO 21 Ca 0.16 0.68 0.19 0.00 -2.02 0.00 0.00 63.50 62.52 3bdm n PRO 21 Cb 0.39 -1.00 1.07 0.00 -0.02 0.00 0.00 33.50 33.94 3bdm n PRO 21 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3bdm h THR 21 N 0.00 0.24 -3.03 3.45 1.35 -2.06 -3.38 112.91 109.47 3bdm h THR 21 Ca 0.07 0.00 -0.64 0.00 -0.55 0.00 0.00 66.41 65.29 3bdm h THR 21 Cb 0.18 0.98 -0.15 0.00 -1.73 0.00 0.00 68.15 67.43 3bdm h THR 21 CO -0.41 0.00 0.41 -1.81 -0.25 0.00 0.00 175.52 173.46 3bdm s ASP 21 N -5.55 6.25 0.00 5.36 -0.00 0.52 -4.90 116.67 118.35 3bdm s ASP 21 Ca -0.05 -0.74 0.22 0.00 -0.00 0.00 0.00 52.55 51.98 3bdm s ASP 21 Cb 0.14 -2.39 -0.08 0.00 -0.00 0.00 0.00 42.92 40.58 3bdm s ASP 21 CO 0.47 -1.21 1.02 0.29 -0.00 0.00 0.00 175.17 175.74 3bdm n LYS 21 N 7.17 0.61 0.00 8.23 5.02 -1.26 -4.85 118.16 133.07 3bdm n LYS 21 Ca -0.03 -0.50 0.00 0.00 -2.02 0.00 0.00 58.31 55.77 3bdm n LYS 21 Cb 0.46 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3bdm n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bdm n GLY 218 N 1.46 2.83 3.77 0.72 0.00 -1.26 -2.37 105.19 110.34 3bdm n GLY 218 Ca 0.07 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 3bdm n GLY 218 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bdm s PRO 219 N -3.25 4.26 0.12 1.61 0.04 -1.25 -4.10 135.00 132.43 3bdm s PRO 219 Ca 0.00 1.88 0.15 0.00 0.04 0.00 0.00 61.00 63.08 3bdm s PRO 219 Cb 0.00 -2.87 -0.09 0.00 0.04 0.00 0.00 34.50 31.59 3bdm s PRO 219 CO 0.00 -0.15 1.03 0.00 0.04 0.00 0.00 177.00 177.92 3bdm h ARG 220 N 3.06 0.00 -6.36 4.56 3.08 -1.44 -1.03 114.38 116.25 3bdm h ARG 220 Ca -0.48 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.02 3bdm h ARG 220 Cb 1.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 3bdm h ARG 220 CO 0.64 0.41 0.61 0.12 -1.07 0.00 0.00 179.97 180.68 3bdm s PHE 221 N -2.91 3.35 -0.11 3.04 5.36 -0.94 -1.54 117.98 124.23 3bdm s PHE 221 Ca -0.01 1.34 -0.04 0.00 -0.96 0.00 0.00 56.93 57.26 3bdm s PHE 221 Cb 0.08 -3.36 0.06 0.00 -0.34 0.00 0.00 43.02 39.46 3bdm s PHE 221 CO 0.79 -1.02 0.23 0.50 -1.46 0.00 0.00 175.22 174.26 3bdm s ARG 222 N 1.74 0.12 0.20 10.12 3.52 0.47 -4.99 118.95 130.12 3bdm s ARG 222 Ca 0.55 0.65 -0.29 0.00 -0.13 0.00 0.00 55.73 56.52 3bdm s ARG 222 Cb -0.25 -0.12 -0.08 0.00 -1.56 0.00 0.00 34.95 32.95 3bdm s ARG 222 CO 0.24 -0.27 0.91 0.21 -0.81 0.00 0.00 175.30 175.58 3bdm s LYS 223 N 2.17 4.77 0.46 5.12 2.20 -1.26 -0.93 119.74 132.28 3bdm s LYS 223 Ca -0.00 1.41 -0.12 0.00 -0.36 0.00 0.00 55.97 56.90 3bdm s LYS 223 Cb -0.12 -3.30 -0.06 0.00 -1.51 0.00 0.00 37.83 32.84 3bdm s LYS 223 CO -0.08 0.46 0.85 -0.51 -0.36 0.00 0.00 175.35 175.72 3bdm s LEU 224 N -0.90 3.70 0.38 5.43 1.43 -0.18 -4.95 118.68 123.58 3bdm s LEU 224 Ca 0.41 1.26 -0.06 0.00 -1.03 0.00 0.00 54.13 54.72 3bdm s LEU 224 Cb -0.25 -4.18 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 3bdm s LEU 224 CO 0.30 -0.51 0.67 0.42 0.23 0.00 0.00 176.35 177.47 3bdm s THR 225 N -2.55 4.94 0.22 5.49 -4.23 -1.26 -4.78 115.64 113.47 3bdm s THR 225 Ca 0.53 0.17 -0.12 0.00 -1.18 0.00 0.00 61.69 61.09 3bdm s THR 225 Cb -0.10 -3.79 0.24 0.00 1.34 0.00 0.00 72.50 70.19 3bdm s THR 225 CO 0.35 -0.55 1.63 -1.28 -0.54 0.00 0.00 174.62 174.23 3bdm h SER 226 N 1.05 -0.55 0.03 3.99 0.87 -1.94 -0.42 113.55 116.58 3bdm h SER 226 Ca -0.48 0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.28 3bdm h SER 226 Cb 1.20 0.38 -0.01 0.00 -0.44 0.00 0.00 62.40 63.53 3bdm h SER 226 CO 0.64 -0.20 -0.07 -0.61 -0.53 0.00 0.00 176.83 176.06 3bdm h GLN 227 N 0.02 -0.13 -0.96 2.24 5.75 -1.94 -2.52 115.11 117.57 3bdm h GLN 227 Ca 0.32 0.01 0.21 0.00 -0.15 0.00 0.00 58.65 59.04 3bdm h GLN 227 Cb 0.50 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 29.00 3bdm h GLN 227 CO -0.65 -0.09 0.62 0.93 -2.65 0.00 0.00 178.83 176.99 3bdm h GLU 228 N -0.13 0.50 0.51 1.69 5.08 -1.49 -2.31 114.58 118.42 3bdm h GLU 228 Ca 0.02 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3bdm h GLU 228 Cb 0.15 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3bdm h GLU 228 CO -0.05 0.33 -0.24 0.82 -1.00 0.00 0.00 179.01 178.87 3bdm h ILE 229 N 0.52 0.29 -0.42 3.13 2.04 -0.88 -3.24 117.51 118.95 3bdm h ILE 229 Ca 0.52 -0.46 0.09 0.00 1.00 0.00 0.00 64.86 66.01 3bdm h ILE 229 Cb 1.15 0.42 -0.09 0.00 -0.74 0.00 0.00 36.82 37.56 3bdm h ILE 229 CO -0.26 0.05 -0.18 0.78 0.00 0.00 0.00 178.15 178.54 3bdm h ASN 230 N -1.04 -0.62 -1.11 1.72 2.35 -1.12 0.57 115.58 116.34 3bdm h ASN 230 Ca -0.07 0.15 0.31 0.00 -0.55 0.00 0.00 56.30 56.14 3bdm h ASN 230 Cb 0.60 0.35 -0.09 0.00 0.05 0.00 0.00 38.32 39.23 3bdm h ASN 230 CO 0.11 -0.21 0.73 0.44 -1.65 0.00 0.00 177.43 176.85 3bdm h ASP 231 N -0.10 0.34 0.75 5.81 3.32 -1.52 0.69 116.42 125.71 3bdm h ASP 231 Ca 0.20 0.08 -0.25 0.00 0.02 0.00 0.00 57.03 57.08 3bdm h ASP 231 Cb 0.41 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3bdm h ASP 231 CO -0.48 0.03 -1.26 0.03 -1.72 0.00 0.00 179.24 175.84 3bdm h ARG 232 N 0.28 0.09 0.00 3.56 3.08 -0.99 -3.24 114.38 117.15 3bdm h ARG 232 Ca 0.63 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.52 3bdm h ARG 232 Cb 1.81 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.92 3bdm h ARG 232 CO -0.26 0.97 0.00 -0.07 -1.07 0.00 0.00 179.97 179.53 3bdm h LEU 233 N 0.02 0.00 0.10 3.04 3.38 0.21 -1.02 115.31 121.04 3bdm h LEU 233 Ca -0.12 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.58 3bdm h LEU 233 Cb 1.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 3bdm h LEU 233 CO 0.14 0.00 -1.25 -0.33 0.09 0.00 0.00 178.44 177.09 3bdm h GLU 234 N 0.00 0.20 -0.32 1.13 5.08 -1.39 -3.15 114.58 116.14 3bdm h GLU 234 Ca 0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3bdm h GLU 234 Cb 0.01 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3bdm h GLU 234 CO 0.00 1.14 0.00 0.00 -1.00 0.00 0.00 179.01 179.15 3bdm n ALA 235 N -2.51 2.46 0.07 3.43 0.00 -0.45 -5.15 120.51 118.36 3bdm n ALA 235 Ca -0.08 -0.62 0.01 0.00 0.00 0.00 0.00 53.44 52.75 3bdm n ALA 235 Cb 1.01 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 19.49 3bdm n ALA 235 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39