#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm s ARG 10 N 0.00 0.28 0.22 -0.67 3.52 -1.26 -5.16 118.95 115.89 3bdm s ARG 10 Ca 0.00 0.57 -0.19 0.00 -0.13 0.00 0.00 55.73 55.98 3bdm s ARG 10 Cb 0.00 0.33 -0.13 0.00 -1.56 0.00 0.00 34.95 33.59 3bdm s ARG 10 CO 0.00 -0.23 0.25 0.41 -0.81 0.00 0.00 175.30 174.92 3bdm n GLY 11 N 5.29 -1.67 0.18 8.12 0.00 -1.26 -4.83 105.19 111.02 3bdm n GLY 11 Ca -0.07 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3bdm n GLY 11 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3bdm h VAL 12 N 0.54 0.00 -0.49 1.61 -1.51 -1.97 -2.56 116.25 111.87 3bdm h VAL 12 Ca -0.24 -0.22 -0.28 0.00 -1.23 0.00 0.00 66.70 64.73 3bdm h VAL 12 Cb 1.10 0.96 -0.17 0.00 -2.13 0.00 0.00 31.29 31.06 3bdm h VAL 12 CO 0.40 0.00 -0.00 -1.54 -1.23 0.00 0.00 177.57 175.20 3bdm n SER 13 N -2.44 3.07 -4.82 4.19 3.41 -1.26 -4.45 113.62 111.32 3bdm n SER 13 Ca 0.01 -3.78 -0.33 0.00 -0.26 0.00 0.00 58.87 54.51 3bdm n SER 13 Cb 0.19 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.41 3bdm n SER 13 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3bdm s THR 14 N -3.46 4.43 -0.11 6.66 2.01 -0.97 -5.03 115.64 119.18 3bdm s THR 14 Ca 0.48 1.42 -0.09 0.00 0.31 0.00 0.00 61.69 63.81 3bdm s THR 14 Cb 0.42 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 3bdm s THR 14 CO 0.01 -0.30 0.19 -0.36 -0.69 0.00 0.00 174.62 173.46 3bdm s PHE 15 N -2.15 3.60 0.45 4.92 0.08 -1.26 -3.27 117.98 120.34 3bdm s PHE 15 Ca 0.61 0.58 -0.11 0.00 0.12 0.00 0.00 56.93 58.13 3bdm s PHE 15 Cb -0.09 -2.03 -0.06 0.00 -0.57 0.00 0.00 43.02 40.27 3bdm s PHE 15 CO 0.14 0.66 0.83 -1.54 -0.10 0.00 0.00 175.22 175.21 3bdm s SER 16 N -0.84 6.48 0.50 1.36 1.04 0.17 -4.92 113.70 117.49 3bdm s SER 16 Ca 0.16 1.20 0.28 0.00 0.48 0.00 0.00 55.95 58.07 3bdm s SER 16 Cb -0.13 -2.36 1.54 0.00 0.10 0.00 0.00 66.02 65.17 3bdm s SER 16 CO 0.05 -0.49 1.84 -0.65 0.98 0.00 0.00 173.24 174.97 3bdm h PRO 17 N 0.93 0.00 -0.02 4.02 0.11 -1.99 0.26 132.00 135.31 3bdm h PRO 17 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3bdm h PRO 17 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3bdm h PRO 17 CO 0.63 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 3bdm n GLU 18 N -2.59 1.64 -0.74 1.05 4.71 -1.26 -4.92 120.64 118.52 3bdm n GLU 18 Ca -0.02 -0.92 0.00 0.00 -0.01 0.00 0.00 57.16 56.21 3bdm n GLU 18 Cb 0.18 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 3bdm n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3bdm n GLY 19 N 1.16 0.94 3.47 0.62 0.00 0.91 -5.09 105.19 107.21 3bdm n GLY 19 Ca 0.19 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 3bdm n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bdm s ARG 20 N -1.73 1.67 -0.39 1.61 0.52 -1.24 -4.87 118.95 114.51 3bdm s ARG 20 Ca 0.00 -1.79 -0.17 0.00 -0.52 0.00 0.00 55.73 53.24 3bdm s ARG 20 Cb 0.00 -1.65 0.01 0.00 0.52 0.00 0.00 34.95 33.83 3bdm s ARG 20 CO 0.00 0.25 0.47 -0.51 0.02 0.00 0.00 175.30 175.53 3bdm s LEU 21 N -3.51 4.61 0.10 2.53 1.43 -1.26 0.44 118.68 123.02 3bdm s LEU 21 Ca 0.30 -0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 52.80 3bdm s LEU 21 Cb -0.02 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 3bdm s LEU 21 CO 0.14 -0.54 1.35 -0.26 0.23 0.00 0.00 176.35 177.28 3bdm h PHE 22 N 8.63 -1.23 -0.90 0.29 -1.00 -1.89 -1.09 116.94 119.77 3bdm h PHE 22 Ca -0.27 0.08 0.22 0.00 2.81 0.00 0.00 57.97 60.80 3bdm h PHE 22 Cb 1.12 0.62 -0.12 0.00 3.61 0.00 0.00 35.95 41.17 3bdm h PHE 22 CO 0.67 -0.25 0.41 1.96 -1.61 0.00 0.00 178.31 179.49 3bdm h GLN 23 N -0.02 0.42 -0.35 1.51 1.08 -1.86 0.27 115.11 116.16 3bdm h GLN 23 Ca 0.10 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 3bdm h GLN 23 Cb 0.28 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3bdm h GLN 23 CO -0.60 0.27 0.08 0.28 -0.95 0.00 0.00 178.83 177.92 3bdm h VAL 24 N 0.43 1.22 0.71 -0.54 2.07 -1.58 -0.10 116.25 118.46 3bdm h VAL 24 Ca 0.56 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3bdm h VAL 24 Cb 1.04 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3bdm h VAL 24 CO -0.51 0.26 -0.35 -0.33 0.02 0.00 0.00 177.57 176.65 3bdm h GLU 25 N 0.41 -0.93 -0.84 1.57 4.39 -0.11 -1.57 114.58 117.49 3bdm h GLU 25 Ca 0.11 0.06 0.19 0.00 0.34 0.00 0.00 59.36 60.06 3bdm h GLU 25 Cb 0.31 0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 29.11 3bdm h GLU 25 CO 0.00 -0.62 0.56 1.88 -1.16 0.00 0.00 179.01 179.67 3bdm h TYR 26 N -0.97 0.48 -0.92 4.33 0.05 -1.02 0.34 116.97 119.27 3bdm h TYR 26 Ca -0.10 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.71 3bdm h TYR 26 Cb 0.75 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 38.30 3bdm h TYR 26 CO -0.04 0.15 0.60 1.03 -1.05 0.00 0.00 178.16 178.85 3bdm h SER 27 N 0.38 1.06 0.31 3.88 0.87 -0.11 -1.69 113.55 118.26 3bdm h SER 27 Ca 0.43 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.91 3bdm h SER 27 Cb 1.09 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 3bdm h SER 27 CO -0.14 0.78 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.68 3bdm h LEU 28 N 1.25 0.00 -0.17 2.23 -0.00 0.60 -2.82 115.31 116.40 3bdm h LEU 28 Ca 0.33 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.18 3bdm h LEU 28 Cb -0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.53 3bdm h LEU 28 CO -0.07 0.19 -0.03 -0.33 -0.00 0.00 0.00 178.44 178.20 3bdm h GLU 29 N 0.00 0.32 -0.47 1.13 4.39 -0.94 -2.63 114.58 116.38 3bdm h GLU 29 Ca -0.00 -0.12 0.10 0.00 0.34 0.00 0.00 59.36 59.68 3bdm h GLU 29 Cb 0.40 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3bdm h GLU 29 CO 0.02 0.58 0.32 0.00 -1.16 0.00 0.00 179.01 178.78 3bdm h ALA 30 N 0.73 2.18 -0.50 3.43 0.00 -1.29 -0.99 119.26 122.83 3bdm h ALA 30 Ca 0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3bdm h ALA 30 Cb 0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3bdm h ALA 30 CO 0.02 -0.30 -0.14 0.82 0.00 0.00 0.00 179.25 179.65 3bdm h ILE 31 N 0.19 1.27 0.00 0.00 1.08 -1.34 -2.64 117.51 116.07 3bdm h ILE 31 Ca 0.22 -1.28 -0.01 0.00 -0.39 0.00 0.00 64.86 63.40 3bdm h ILE 31 Cb 0.61 1.03 -0.00 0.00 -3.07 0.00 0.00 36.82 35.39 3bdm h ILE 31 CO -0.04 0.45 -0.04 0.11 -0.69 0.00 0.00 178.15 177.94 3bdm h LYS 32 N 0.84 0.00 -0.00 2.37 1.57 -0.89 0.49 116.57 120.95 3bdm h LYS 32 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3bdm h LYS 32 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3bdm h LYS 32 CO 0.05 0.04 -0.01 1.28 -0.57 0.00 0.00 179.45 180.24 3bdm n LEU 33 N -4.41 0.05 -4.89 2.94 4.77 -1.00 -2.45 117.00 112.01 3bdm n LEU 33 Ca -0.03 0.22 -0.30 0.00 -0.03 0.00 0.00 56.01 55.87 3bdm n LEU 33 Cb 0.12 -0.24 0.05 0.00 -2.33 0.00 0.00 43.42 41.02 3bdm n LEU 33 CO 0.34 0.01 0.73 -0.83 -1.33 0.00 0.00 177.39 176.31 3bdm s GLY 34 N -2.49 1.62 0.94 -0.72 0.00 0.16 -4.76 107.32 102.08 3bdm s GLY 34 Ca 0.31 -0.41 -0.12 0.00 0.00 0.00 0.00 44.72 44.50 3bdm s GLY 34 CO 0.45 -0.04 0.62 1.44 0.00 0.00 0.00 173.10 175.57 3bdm n SER 35 N -3.00 -1.40 -4.82 1.64 7.64 -1.26 0.08 113.62 112.50 3bdm n SER 35 Ca 0.07 0.35 -0.34 0.00 1.01 0.00 0.00 58.87 59.95 3bdm n SER 35 Cb 0.58 -1.28 -0.07 0.00 -1.01 0.00 0.00 64.21 62.43 3bdm n SER 35 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3bdm s THR 36 N -2.46 4.43 -0.13 0.44 2.01 -1.26 -4.02 115.64 114.64 3bdm s THR 36 Ca 0.60 1.43 -0.07 0.00 0.31 0.00 0.00 61.69 63.96 3bdm s THR 36 Cb -0.22 -3.75 0.05 0.00 0.01 0.00 0.00 72.50 68.60 3bdm s THR 36 CO 0.65 -0.09 0.31 0.00 -0.69 0.00 0.00 174.62 174.80 3bdm s ALA 37 N -1.89 -0.76 0.06 7.40 0.00 0.20 -1.49 121.76 125.27 3bdm s ALA 37 Ca 0.54 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.76 3bdm s ALA 37 Cb -0.13 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 3bdm s ALA 37 CO 0.18 -0.22 -0.13 0.42 0.00 0.00 0.00 175.76 176.01 3bdm s ILE 38 N 1.29 0.98 -0.02 0.00 1.01 0.56 -0.51 121.20 124.52 3bdm s ILE 38 Ca -0.09 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.41 3bdm s ILE 38 Cb -0.09 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.45 3bdm s ILE 38 CO -0.10 -0.18 0.02 -0.83 0.00 0.00 0.00 174.94 173.84 3bdm s GLY 39 N -1.50 0.10 -0.07 6.18 0.00 0.40 -0.35 107.32 112.09 3bdm s GLY 39 Ca -0.02 0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.91 3bdm s GLY 39 CO 0.02 0.48 -0.13 -0.42 0.00 0.00 0.00 173.10 173.05 3bdm s ILE 40 N 0.76 1.18 -0.10 0.90 -1.09 -0.17 -0.82 121.20 121.86 3bdm s ILE 40 Ca -0.07 -0.51 -0.03 0.00 -2.23 0.00 0.00 60.65 57.82 3bdm s ILE 40 Cb -0.10 -1.07 -0.03 0.00 -1.58 0.00 0.00 42.46 39.68 3bdm s ILE 40 CO -0.02 0.36 0.01 0.00 -1.23 0.00 0.00 174.94 174.07 3bdm s ALA 41 N 0.65 3.31 0.05 9.38 0.00 0.27 0.00 121.76 135.42 3bdm s ALA 41 Ca -0.15 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.01 3bdm s ALA 41 Cb -0.16 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 3bdm s ALA 41 CO 0.04 0.54 -0.04 0.95 0.00 0.00 0.00 175.76 177.26 3bdm s THR 42 N -0.73 0.27 -2.00 0.00 -4.23 0.90 -4.89 115.64 104.96 3bdm s THR 42 Ca 0.12 -1.68 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 3bdm s THR 42 Cb -0.12 -1.35 0.10 0.00 1.34 0.00 0.00 72.50 72.48 3bdm s THR 42 CO 0.02 -0.90 0.54 0.29 -0.54 0.00 0.00 174.62 174.03 3bdm n LYS 43 N 0.33 0.22 -0.00 3.99 5.02 -1.26 -0.62 118.16 125.84 3bdm n LYS 43 Ca -0.15 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.16 3bdm n LYS 43 Cb 0.60 -1.24 0.02 0.00 -0.02 0.00 0.00 35.03 34.38 3bdm n LYS 43 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3bdm n GLU 44 N -0.74 -0.39 -0.31 1.97 1.02 -1.26 -5.05 120.64 115.87 3bdm n GLU 44 Ca 0.03 -0.75 0.00 0.00 -0.02 0.00 0.00 57.16 56.42 3bdm n GLU 44 Cb 0.01 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 3bdm n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bdm n GLY 45 N 0.21 0.74 3.20 0.62 0.00 0.21 -4.77 105.19 105.39 3bdm n GLY 45 Ca 0.02 -1.89 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.26 1.62 -0.12 1.61 1.01 -0.79 -0.07 120.40 122.40 3bdm s VAL 46 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 3bdm s VAL 46 Cb 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3bdm s VAL 46 CO 0.00 0.46 -0.08 -0.69 0.00 0.00 0.00 175.10 174.79 3bdm s VAL 47 N -0.27 3.53 -0.07 2.92 1.01 0.10 -1.81 120.40 125.81 3bdm s VAL 47 Ca 0.03 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3bdm s VAL 47 Cb -0.10 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 3bdm s VAL 47 CO 0.01 0.53 -0.21 -0.76 0.00 0.00 0.00 175.10 174.67 3bdm s LEU 48 N 0.04 2.29 0.00 3.92 1.02 -0.48 -1.00 118.68 124.48 3bdm s LEU 48 Ca -0.02 -0.42 0.01 0.00 0.02 0.00 0.00 54.13 53.72 3bdm s LEU 48 Cb -0.14 -1.44 -0.00 0.00 0.02 0.00 0.00 46.19 44.62 3bdm s LEU 48 CO 0.03 0.25 -0.04 -0.83 0.02 0.00 0.00 176.35 175.78 3bdm s GLY 49 N -0.20 0.22 0.06 -3.19 0.00 0.53 -2.22 107.32 102.52 3bdm s GLY 49 Ca -0.02 -0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.49 3bdm s GLY 49 CO 0.03 -0.20 -0.05 -1.34 0.00 0.00 0.00 173.10 171.54 3bdm s VAL 50 N -0.21 0.42 -0.40 1.40 -7.23 -0.70 -0.32 120.40 113.35 3bdm s VAL 50 Ca 0.00 -1.52 -0.18 0.00 -1.81 0.00 0.00 61.98 58.47 3bdm s VAL 50 Cb -0.02 -1.14 0.01 0.00 0.56 0.00 0.00 36.38 35.79 3bdm s VAL 50 CO -0.00 -0.73 0.51 -0.70 -0.31 0.00 0.00 175.10 173.87 3bdm s GLU 51 N -2.92 3.30 0.10 4.82 2.12 -0.56 -2.09 118.70 123.47 3bdm s GLU 51 Ca 0.01 -0.48 -0.33 0.00 0.36 0.00 0.00 54.97 54.52 3bdm s GLU 51 Cb -0.00 -3.91 -0.14 0.00 0.26 0.00 0.00 34.13 30.34 3bdm s GLU 51 CO -0.04 -0.83 1.59 0.87 -0.54 0.00 0.00 175.26 176.30 3bdm h LYS 52 N 8.69 -0.78 -4.62 4.30 6.56 -1.12 -3.42 116.57 126.19 3bdm h LYS 52 Ca -0.27 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 3bdm h LYS 52 Cb 1.11 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 3bdm h LYS 52 CO 0.81 -0.52 -0.45 -2.13 -2.06 0.00 0.00 179.45 175.10 3bdm n ARG 53 N -5.50 -1.94 -3.11 3.15 0.63 -1.24 -4.99 116.66 103.66 3bdm n ARG 53 Ca -0.10 1.81 -0.40 0.00 -0.92 0.00 0.00 57.85 58.24 3bdm n ARG 53 Cb 0.41 -4.44 -0.05 0.00 0.45 0.00 0.00 32.46 28.83 3bdm n ARG 53 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3bdm s ALA 54 N -1.91 3.44 -1.97 5.13 0.00 -1.26 -4.95 121.76 120.24 3bdm s ALA 54 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.04 3bdm s ALA 54 Cb -0.04 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.16 3bdm s ALA 54 CO 0.56 -0.26 0.92 0.25 0.00 0.00 0.00 175.76 177.23 3bdm n THR 55 N 4.10 0.00 -3.62 0.00 -2.24 -1.26 -4.85 114.28 106.42 3bdm n THR 55 Ca -0.02 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.73 3bdm n THR 55 Cb 0.51 -0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 3bdm n THR 55 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3bdm s SER 56 N -1.04 -0.07 0.28 3.42 0.15 -1.26 -5.03 113.70 110.14 3bdm s SER 56 Ca 0.00 -0.00 0.14 0.00 0.70 0.00 0.00 55.95 56.79 3bdm s SER 56 Cb 0.00 0.08 0.22 0.00 -1.71 0.00 0.00 66.02 64.61 3bdm s SER 56 CO 0.00 -0.13 1.51 1.55 1.20 0.00 0.00 173.24 177.37 3bdm h PRO 57 N 2.00 0.00 0.00 5.44 0.13 -2.05 -3.22 132.00 134.29 3bdm h PRO 57 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3bdm h PRO 57 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3bdm h PRO 57 CO 0.21 0.58 0.00 -0.07 -0.23 0.00 0.00 178.00 178.48 3bdm h LEU 58 N 0.00 0.00 -9.19 1.56 3.38 -2.00 -3.44 115.31 105.62 3bdm h LEU 58 Ca -0.01 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 3bdm h LEU 58 Cb 1.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 3bdm h LEU 58 CO 0.07 0.00 0.91 -0.22 0.09 0.00 0.00 178.44 179.30 3bdm s LEU 59 N -5.78 4.22 -0.76 1.67 1.98 -1.22 -4.93 118.68 113.86 3bdm s LEU 59 Ca 0.04 1.81 -0.25 0.00 -2.89 0.00 0.00 54.13 52.84 3bdm s LEU 59 Cb 0.08 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.36 3bdm s LEU 59 CO 0.56 -0.77 1.91 -1.61 -1.89 0.00 0.00 176.35 174.54 3bdm s GLU 60 N 3.43 2.58 0.63 1.98 2.02 -1.26 -4.84 118.70 123.24 3bdm s GLU 60 Ca 0.58 0.15 0.22 0.00 0.02 0.00 0.00 54.97 55.94 3bdm s GLU 60 Cb -0.24 -4.74 0.97 0.00 0.10 0.00 0.00 34.13 30.22 3bdm s GLU 60 CO 0.18 -3.07 1.48 0.66 0.02 0.00 0.00 175.26 174.53 3bdm h SER 61 N 13.10 0.00 -0.18 -0.19 4.64 -1.92 -0.80 113.55 128.20 3bdm h SER 61 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3bdm h SER 61 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3bdm h SER 61 CO 1.21 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 176.27 3bdm n ASP 62 N -3.12 1.88 -0.95 4.97 3.85 -1.26 -3.17 116.55 118.74 3bdm n ASP 62 Ca 0.10 -1.73 0.08 0.00 -0.71 0.00 0.00 54.79 52.52 3bdm n ASP 62 Cb 1.00 -0.11 0.22 0.00 -1.35 0.00 0.00 41.12 40.89 3bdm n ASP 62 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3bdm n SER 63 N 0.47 2.75 -4.33 -1.12 3.41 -0.31 -4.73 113.62 109.77 3bdm n SER 63 Ca 0.17 -2.03 -0.46 0.00 -0.26 0.00 0.00 58.87 56.29 3bdm n SER 63 Cb 0.37 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 3bdm n SER 63 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3bdm s ILE 64 N -1.37 5.21 -0.55 -1.33 1.01 -1.19 -5.03 121.20 117.96 3bdm s ILE 64 Ca 0.34 -1.40 -0.16 0.00 0.00 0.00 0.00 60.65 59.43 3bdm s ILE 64 Cb 0.18 -4.29 0.13 0.00 0.01 0.00 0.00 42.46 38.49 3bdm s ILE 64 CO 0.22 -0.81 0.51 -0.70 0.00 0.00 0.00 174.94 174.17 3bdm s GLU 65 N 1.61 3.01 0.00 2.79 2.12 -1.26 -4.85 118.70 122.12 3bdm s GLU 65 Ca 0.03 -1.75 0.02 0.00 0.36 0.00 0.00 54.97 53.64 3bdm s GLU 65 Cb -0.29 -4.30 0.06 0.00 0.26 0.00 0.00 34.13 29.86 3bdm s GLU 65 CO 0.04 -1.33 0.98 1.63 -0.54 0.00 0.00 175.26 176.04 3bdm n LYS 66 N 5.18 2.39 -3.72 4.30 5.02 -1.26 -4.90 118.16 125.17 3bdm n LYS 66 Ca -0.13 -1.46 -0.24 0.00 -2.02 0.00 0.00 58.31 54.46 3bdm n LYS 66 Cb 0.40 -1.06 -0.17 0.00 -0.02 0.00 0.00 35.03 34.18 3bdm n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bdm s ILE 67 N -0.87 0.27 0.25 -0.18 1.01 -1.26 -2.10 121.20 118.31 3bdm s ILE 67 Ca 0.05 -0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.75 3bdm s ILE 67 Cb 0.03 -0.59 -0.05 0.00 0.01 0.00 0.00 42.46 41.85 3bdm s ILE 67 CO 0.03 0.06 -0.11 0.68 0.00 0.00 0.00 174.94 175.61 3bdm s VAL 68 N 2.00 1.80 -0.12 2.92 -7.23 -0.77 -4.97 120.40 114.03 3bdm s VAL 68 Ca 0.03 -2.20 -0.14 0.00 -1.81 0.00 0.00 61.98 57.86 3bdm s VAL 68 Cb -0.14 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 3bdm s VAL 68 CO -0.06 -0.43 0.33 -0.70 -0.31 0.00 0.00 175.10 173.93 3bdm s GLU 69 N -3.66 4.15 -0.19 4.82 2.12 -1.26 -1.16 118.70 123.52 3bdm s GLU 69 Ca 0.27 0.20 -0.16 0.00 0.36 0.00 0.00 54.97 55.64 3bdm s GLU 69 Cb 0.01 -3.37 -0.11 0.00 0.26 0.00 0.00 34.13 30.92 3bdm s GLU 69 CO 0.10 0.35 -0.06 -0.89 -0.54 0.00 0.00 175.26 174.22 3bdm n ILE 70 N 3.15 1.49 -3.98 -3.70 2.08 0.10 -4.96 119.36 113.54 3bdm n ILE 70 Ca -0.12 0.03 -0.10 0.00 0.56 0.00 0.00 62.75 63.12 3bdm n ILE 70 Cb 0.52 -2.18 -0.03 0.00 -0.75 0.00 0.00 39.64 37.20 3bdm n ILE 70 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 3bdm n ASP 71 N -4.48 -0.72 0.25 4.38 4.64 -0.63 -4.62 116.55 115.37 3bdm n ASP 71 Ca -0.24 -2.26 0.17 0.00 -1.38 0.00 0.00 54.79 51.07 3bdm n ASP 71 Cb 0.54 1.42 0.79 0.00 -1.04 0.00 0.00 41.12 42.83 3bdm n ASP 71 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 3bdm h ARG 72 N 0.00 0.00 0.00 -0.67 2.43 -1.96 -2.67 114.38 111.51 3bdm h ARG 72 Ca -0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3bdm h ARG 72 Cb 0.75 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3bdm h ARG 72 CO 0.23 0.00 -0.02 -2.39 -1.51 0.00 0.00 179.97 176.27 3bdm n HIS 73 N -2.78 0.00 -3.73 2.20 1.44 -1.26 -1.24 115.22 109.85 3bdm n HIS 73 Ca -0.00 -0.68 -0.13 0.00 -2.01 0.00 0.00 57.72 54.90 3bdm n HIS 73 Cb 0.18 -0.09 -0.14 0.00 0.12 0.00 0.00 29.99 30.06 3bdm n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3bdm s ILE 74 N -1.75 -0.07 0.12 0.61 1.01 -1.01 -2.10 121.20 118.01 3bdm s ILE 74 Ca 0.14 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.95 3bdm s ILE 74 Cb 0.13 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.25 3bdm s ILE 74 CO 0.01 0.07 0.08 -0.83 0.00 0.00 0.00 174.94 174.28 3bdm s GLY 75 N 1.32 0.78 0.15 6.18 0.00 -0.15 0.01 107.32 115.61 3bdm s GLY 75 Ca -0.08 -1.30 -0.08 0.00 0.00 0.00 0.00 44.72 43.26 3bdm s GLY 75 CO -0.07 -1.25 0.24 0.00 0.00 0.00 0.00 173.10 172.01 3bdm s ALA 77 N -3.96 1.74 0.07 0.00 0.00 0.47 -1.85 121.76 118.22 3bdm s ALA 77 Ca 0.16 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.20 3bdm s ALA 77 Cb 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3bdm s ALA 77 CO -0.01 0.39 -0.26 0.00 0.00 0.00 0.00 175.76 175.88 3bdm s MET 78 N -1.05 1.72 -0.03 0.00 0.23 -0.89 -0.10 119.30 119.18 3bdm s MET 78 Ca 0.07 -1.16 0.01 0.00 -1.03 0.00 0.00 55.69 53.58 3bdm s MET 78 Cb -0.09 -1.98 0.02 0.00 -1.53 0.00 0.00 34.83 31.25 3bdm s MET 78 CO 0.01 0.50 -0.03 0.45 -2.03 0.00 0.00 175.02 173.92 3bdm s SER 79 N -1.49 0.66 0.00 -1.18 0.15 -0.84 -4.88 113.70 106.11 3bdm s SER 79 Ca 0.13 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.69 3bdm s SER 79 Cb -0.10 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 3bdm s SER 79 CO 0.04 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.04 3bdm n GLY 80 N 3.80 0.26 3.55 9.45 0.00 -1.26 -1.13 105.19 119.86 3bdm n GLY 80 Ca -0.23 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.51 3bdm n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdm s LEU 81 N 0.00 3.31 0.33 0.99 1.43 0.11 -4.78 118.68 120.08 3bdm s LEU 81 Ca 0.00 0.42 0.18 0.00 -1.03 0.00 0.00 54.13 53.70 3bdm s LEU 81 Cb 0.00 -2.61 0.32 0.00 0.03 0.00 0.00 46.19 43.92 3bdm s LEU 81 CO 0.00 -2.33 1.56 0.71 0.23 0.00 0.00 176.35 176.52 3bdm h THR 82 N 6.89 0.76 0.00 5.49 1.35 -1.89 -3.10 112.91 122.41 3bdm h THR 82 Ca -0.26 -1.86 -0.01 0.00 -0.55 0.00 0.00 66.41 63.72 3bdm h THR 82 Cb 1.16 2.22 -0.00 0.00 -1.73 0.00 0.00 68.15 69.80 3bdm h THR 82 CO 1.20 0.40 -0.05 0.00 -0.25 0.00 0.00 175.52 176.82 3bdm h ALA 83 N 1.59 1.73 -0.38 6.62 0.00 -1.98 -1.03 119.26 125.80 3bdm h ALA 83 Ca -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3bdm h ALA 83 Cb 1.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3bdm h ALA 83 CO 0.05 0.07 -0.01 -0.44 0.00 0.00 0.00 179.25 178.92 3bdm h ASP 84 N 0.00 0.58 0.34 0.00 3.45 -1.94 -2.93 116.42 115.93 3bdm h ASP 84 Ca -0.00 -0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.32 3bdm h ASP 84 Cb 0.11 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 38.72 3bdm h ASP 84 CO 0.01 0.66 -0.07 0.00 -1.57 0.00 0.00 179.24 178.27 3bdm h ALA 85 N 1.41 1.22 -0.31 3.45 0.00 -1.31 -3.30 119.26 120.42 3bdm h ALA 85 Ca 0.12 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3bdm h ALA 85 Cb 0.39 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 3bdm h ALA 85 CO 0.01 0.08 -0.42 0.00 0.00 0.00 0.00 179.25 178.93 3bdm h ARG 86 N 0.00 -0.36 0.00 0.00 2.47 -1.58 -0.09 114.38 114.82 3bdm h ARG 86 Ca -0.00 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 3bdm h ARG 86 Cb 0.26 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.66 3bdm h ARG 86 CO 0.01 -0.24 -0.13 0.66 0.56 0.00 0.00 179.97 180.83 3bdm h SER 87 N -0.38 0.00 0.02 7.04 4.64 -1.80 -1.82 113.55 121.25 3bdm h SER 87 Ca 0.12 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.25 3bdm h SER 87 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3bdm h SER 87 CO -0.51 0.13 -0.68 0.24 -0.87 0.00 0.00 176.83 175.13 3bdm h MET 88 N 0.00 0.61 -0.03 4.77 2.86 -1.32 -2.07 114.93 119.76 3bdm h MET 88 Ca -0.00 -0.46 -0.01 0.00 -2.06 0.00 0.00 59.70 57.17 3bdm h MET 88 Cb 0.45 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 3bdm h MET 88 CO 0.02 1.08 -0.00 0.82 1.06 0.00 0.00 176.91 179.88 3bdm h ILE 89 N 0.44 1.28 -0.47 -1.22 1.08 -0.54 -0.28 117.51 117.80 3bdm h ILE 89 Ca -0.02 -0.86 0.07 0.00 -0.39 0.00 0.00 64.86 63.66 3bdm h ILE 89 Cb 1.27 1.81 -0.06 0.00 -3.07 0.00 0.00 36.82 36.77 3bdm h ILE 89 CO 0.13 0.23 0.13 -0.08 -0.69 0.00 0.00 178.15 177.87 3bdm h GLU 90 N -0.29 0.27 -0.12 2.37 4.57 -1.38 0.21 114.58 120.20 3bdm h GLU 90 Ca 0.01 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3bdm h GLU 90 Cb 0.37 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3bdm h GLU 90 CO 0.00 0.18 0.07 1.25 -1.18 0.00 0.00 179.01 179.33 3bdm h HIS 91 N 0.28 0.16 -0.82 0.92 2.76 -1.30 -0.60 115.15 116.54 3bdm h HIS 91 Ca 0.23 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.44 3bdm h HIS 91 Cb 0.28 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.13 3bdm h HIS 91 CO -0.19 0.17 0.52 0.00 -1.30 0.00 0.00 177.93 177.13 3bdm h ALA 92 N 0.97 1.10 -0.24 5.26 0.00 -0.22 0.14 119.26 126.27 3bdm h ALA 92 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3bdm h ALA 92 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3bdm h ALA 92 CO -0.01 0.32 -0.03 0.00 0.00 0.00 0.00 179.25 179.53 3bdm h ARG 93 N 0.99 0.44 -0.39 0.00 3.08 -0.43 -1.34 114.38 116.73 3bdm h ARG 93 Ca 0.34 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 3bdm h ARG 93 Cb 0.06 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3bdm h ARG 93 CO -0.13 0.64 0.23 1.15 -1.07 0.00 0.00 179.97 180.79 3bdm h THR 94 N 0.19 1.13 -0.94 2.04 2.02 -0.80 -0.74 112.91 115.82 3bdm h THR 94 Ca 0.06 -0.32 0.05 0.00 0.77 0.00 0.00 66.41 66.97 3bdm h THR 94 Cb 0.46 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 3bdm h THR 94 CO 0.02 0.14 0.61 0.00 0.37 0.00 0.00 175.52 176.65 3bdm h ALA 95 N 1.09 1.28 -0.17 6.16 0.00 -0.59 0.36 119.26 127.39 3bdm h ALA 95 Ca 0.14 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3bdm h ALA 95 Cb 0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3bdm h ALA 95 CO -0.03 0.43 -0.08 0.00 0.00 0.00 0.00 179.25 179.58 3bdm h ALA 96 N 1.41 0.24 -0.44 0.00 0.00 -0.68 -1.09 119.26 118.70 3bdm h ALA 96 Ca 0.39 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3bdm h ALA 96 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3bdm h ALA 96 CO -0.15 0.05 -0.28 0.28 0.00 0.00 0.00 179.25 179.15 3bdm h VAL 97 N 0.04 1.27 -0.02 0.00 2.07 -0.90 -2.86 116.25 115.86 3bdm h VAL 97 Ca 0.04 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 3bdm h VAL 97 Cb 0.55 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3bdm h VAL 97 CO 0.02 0.49 0.01 0.74 0.02 0.00 0.00 177.57 178.85 3bdm h THR 98 N 0.80 1.14 -0.80 2.57 2.02 -0.28 -1.35 112.91 117.01 3bdm h THR 98 Ca 0.09 -0.41 0.17 0.00 0.77 0.00 0.00 66.41 67.03 3bdm h THR 98 Cb 0.86 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 68.60 3bdm h THR 98 CO 0.08 0.11 0.54 -0.74 0.37 0.00 0.00 175.52 175.87 3bdm h HIS 99 N -0.14 0.48 -0.28 3.16 6.17 -1.18 0.11 115.15 123.47 3bdm h HIS 99 Ca 0.01 0.01 -0.14 0.00 0.71 0.00 0.00 60.37 60.96 3bdm h HIS 99 Cb 0.17 -0.15 -0.00 0.00 2.52 0.00 0.00 27.41 29.95 3bdm h HIS 99 CO -0.02 0.16 -0.38 -0.97 0.71 0.00 0.00 177.93 177.44 3bdm h ASN 100 N 0.39 0.82 -0.88 3.26 -0.73 -1.16 -0.30 115.58 116.99 3bdm h ASN 100 Ca 0.40 -0.50 0.03 0.00 1.87 0.00 0.00 56.30 58.10 3bdm h ASN 100 Cb 0.98 -0.23 -0.05 0.00 0.27 0.00 0.00 38.32 39.29 3bdm h ASN 100 CO -0.13 1.16 0.57 0.25 -0.37 0.00 0.00 177.43 178.90 3bdm h LEU 101 N 0.50 0.94 0.00 0.34 5.85 0.09 0.38 115.31 123.42 3bdm h LEU 101 Ca 0.03 -0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.56 3bdm h LEU 101 Cb 0.97 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 3bdm h LEU 101 CO 0.09 0.65 -1.08 1.88 -0.34 0.00 0.00 178.44 179.63 3bdm h TYR 102 N 1.10 0.00 -0.00 1.25 0.05 -1.27 -3.38 116.97 114.72 3bdm h TYR 102 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.13 3bdm h TYR 102 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3bdm h TYR 102 CO -0.02 0.78 -0.00 0.66 -1.05 0.00 0.00 178.16 178.53 3bdm n TYR 103 N -3.16 0.00 -3.76 4.88 4.02 -0.13 -5.01 117.16 113.99 3bdm n TYR 103 Ca -0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.55 3bdm n TYR 103 Cb 0.88 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 40.23 3bdm n TYR 103 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3bdm n ASP 104 N 0.10 -3.72 -3.57 7.72 4.64 0.13 -4.96 116.55 116.90 3bdm n ASP 104 Ca 0.01 -1.01 -0.06 0.00 -1.38 0.00 0.00 54.79 52.35 3bdm n ASP 104 Cb 0.05 -3.28 -0.02 0.00 -1.04 0.00 0.00 41.12 36.82 3bdm n ASP 104 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 3bdm s GLU 105 N -6.17 0.71 0.41 -0.67 -1.05 -1.25 -5.08 118.70 105.59 3bdm s GLU 105 Ca 0.32 -0.29 -0.24 0.00 -0.15 0.00 0.00 54.97 54.61 3bdm s GLU 105 Cb -0.12 0.31 -0.09 0.00 -0.44 0.00 0.00 34.13 33.79 3bdm s GLU 105 CO 0.87 -0.31 1.06 -0.51 0.95 0.00 0.00 175.26 177.32 3bdm s ASP 106 N -2.50 6.70 0.08 0.83 -0.00 -1.26 -3.80 116.67 116.72 3bdm s ASP 106 Ca 0.08 2.07 -0.30 0.00 -0.00 0.00 0.00 52.55 54.39 3bdm s ASP 106 Cb -0.01 -2.59 -0.05 0.00 -0.00 0.00 0.00 42.92 40.28 3bdm s ASP 106 CO -0.06 -0.54 1.00 -0.51 -0.00 0.00 0.00 175.17 175.06 3bdm s ILE 107 N -1.65 4.53 0.21 0.77 1.10 -1.26 -4.99 121.20 119.90 3bdm s ILE 107 Ca 0.58 1.98 -0.30 0.00 -0.51 0.00 0.00 60.65 62.39 3bdm s ILE 107 Cb -0.23 -4.26 -0.10 0.00 0.15 0.00 0.00 42.46 38.02 3bdm s ILE 107 CO 0.28 0.24 1.43 0.20 -2.11 0.00 0.00 174.94 174.99 3bdm s ASN 108 N 0.42 6.71 0.35 4.50 0.02 -1.26 -4.86 114.94 120.81 3bdm s ASN 108 Ca 0.50 2.56 0.14 0.00 -1.02 0.00 0.00 52.86 55.04 3bdm s ASN 108 Cb -0.24 -2.61 1.03 0.00 0.02 0.00 0.00 41.25 39.46 3bdm s ASN 108 CO 0.30 -0.68 1.70 0.58 0.02 0.00 0.00 177.10 179.02 3bdm h VAL 109 N 3.75 0.42 -0.26 1.60 2.07 -1.94 -0.21 116.25 121.68 3bdm h VAL 109 Ca -0.45 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 3bdm h VAL 109 Cb 1.21 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3bdm h VAL 109 CO 0.81 0.08 -0.10 -0.08 0.02 0.00 0.00 177.57 178.30 3bdm h GLU 110 N 0.42 0.52 -0.85 1.57 4.81 -1.99 -2.10 114.58 116.97 3bdm h GLU 110 Ca 0.68 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.66 3bdm h GLU 110 Cb 1.53 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.85 3bdm h GLU 110 CO -0.49 0.76 0.40 0.77 -0.73 0.00 0.00 179.01 179.72 3bdm h SER 111 N 0.26 1.12 -0.54 1.04 0.02 -1.47 0.44 113.55 114.42 3bdm h SER 111 Ca 0.06 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3bdm h SER 111 Cb 0.59 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 3bdm h SER 111 CO 0.03 0.95 0.35 0.25 -1.14 0.00 0.00 176.83 177.27 3bdm h LEU 112 N 1.21 0.60 0.45 5.07 7.12 -1.17 0.64 115.31 129.22 3bdm h LEU 112 Ca 0.29 -0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.27 3bdm h LEU 112 Cb 0.13 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 3bdm h LEU 112 CO -0.03 0.43 -0.21 0.74 -0.13 0.00 0.00 178.44 179.24 3bdm h THR 113 N 0.72 0.56 -0.84 1.05 2.02 -0.60 -2.68 112.91 113.14 3bdm h THR 113 Ca 0.20 -0.09 0.18 0.00 0.77 0.00 0.00 66.41 67.47 3bdm h THR 113 Cb -0.06 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 66.89 3bdm h THR 113 CO -0.05 0.02 0.56 -0.61 0.37 0.00 0.00 175.52 175.80 3bdm h GLN 114 N -0.65 0.43 -0.45 6.66 5.75 0.11 -1.09 115.11 125.87 3bdm h GLN 114 Ca -0.06 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 3bdm h GLN 114 Cb 0.49 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 3bdm h GLN 114 CO 0.10 0.28 0.17 1.03 -2.65 0.00 0.00 178.83 177.76 3bdm h SER 115 N 0.44 0.63 -0.58 -0.69 0.87 -0.56 -2.66 113.55 111.00 3bdm h SER 115 Ca 0.43 -0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 3bdm h SER 115 Cb 1.00 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 3bdm h SER 115 CO -0.16 0.64 -0.01 0.58 -0.53 0.00 0.00 176.83 177.36 3bdm h VAL 116 N 0.58 1.27 0.00 2.23 2.07 -0.92 -2.70 116.25 118.77 3bdm h VAL 116 Ca 0.15 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 3bdm h VAL 116 Cb 0.22 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3bdm h VAL 116 CO -0.01 0.41 -0.08 0.00 0.02 0.00 0.00 177.57 177.91 3bdm h ASP 118 N 0.00 0.00 0.79 0.00 3.45 -1.12 -2.52 116.42 117.02 3bdm h ASP 118 Ca -0.00 0.00 -0.24 0.00 0.43 0.00 0.00 57.03 57.22 3bdm h ASP 118 Cb 0.23 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.97 3bdm h ASP 118 CO 0.01 0.00 -1.31 -0.07 -1.57 0.00 0.00 179.24 176.31 3bdm h LEU 119 N 0.00 0.00 -0.20 1.55 3.38 -1.48 -3.41 115.31 115.15 3bdm h LEU 119 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3bdm h LEU 119 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3bdm h LEU 119 CO 0.00 0.96 -0.12 0.00 0.09 0.00 0.00 178.44 179.37 3bdm n ALA 120 N -2.44 -0.13 1.95 1.53 0.00 -0.95 -1.36 120.51 119.11 3bdm n ALA 120 Ca -0.08 0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.59 3bdm n ALA 120 Cb 0.98 0.27 0.32 0.00 0.00 0.00 0.00 19.45 21.01 3bdm n ALA 120 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3bdm n LEU 121 N -3.36 0.00 -3.26 0.00 4.77 -1.26 -4.52 117.00 109.38 3bdm n LEU 121 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 3bdm n LEU 121 Cb 0.05 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3bdm n LEU 121 CO -0.03 0.00 2.83 0.54 -1.33 0.00 0.00 177.39 179.40 3bdm n ARG 122 N -0.67 2.81 -4.08 3.23 1.74 -0.47 -4.85 116.66 114.36 3bdm n ARG 122 Ca 0.08 -1.82 -0.08 0.00 -0.77 0.00 0.00 57.85 55.27 3bdm n ARG 122 Cb 0.04 -2.63 -0.10 0.00 -1.02 0.00 0.00 32.46 28.75 3bdm n ARG 122 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3bdm s PHE 123 N 2.89 0.55 -5.00 -1.55 -0.71 -1.26 -4.00 117.98 108.90 3bdm s PHE 123 Ca 0.53 -1.06 0.00 0.00 -1.04 0.00 0.00 56.93 55.36 3bdm s PHE 123 Cb 0.14 -0.38 0.00 0.00 -1.21 0.00 0.00 43.02 41.57 3bdm s PHE 123 CO -0.04 -0.42 0.00 0.41 -1.34 0.00 0.00 175.22 173.83 3bdm n GLY 12 N 0.06 0.19 0.10 1.99 0.00 -0.58 -4.79 105.19 102.16 3bdm n GLY 12 Ca -0.13 -1.49 0.01 0.00 0.00 0.00 0.00 46.02 44.41 3bdm n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bdm n GLU 12 N 0.00 0.96 0.00 1.61 1.02 -1.26 -4.45 120.64 118.52 3bdm n GLU 12 Ca 0.00 -1.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.04 3bdm n GLU 12 Cb 0.00 -0.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 3bdm n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bdm n GLY 12 N -0.30 0.00 3.63 0.62 0.00 -1.26 -5.13 105.19 102.75 3bdm n GLY 12 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3bdm n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm s ALA 12 N 0.00 3.16 -0.45 4.61 0.00 -1.26 -4.88 121.76 122.95 3bdm s ALA 12 Ca 0.00 0.98 -0.24 0.00 0.00 0.00 0.00 51.96 52.70 3bdm s ALA 12 Cb 0.00 -3.95 -0.24 0.00 0.00 0.00 0.00 23.12 18.94 3bdm s ALA 12 CO 0.00 -2.16 1.77 0.43 0.00 0.00 0.00 175.76 175.79 3bdm n SER 12 N 9.50 1.93 0.00 0.00 7.64 -1.26 -3.81 113.62 127.62 3bdm n SER 12 Ca 0.24 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.55 3bdm n SER 12 Cb 0.43 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 3bdm n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bdm n GLY 12 N 4.66 0.45 0.00 0.23 0.00 -1.26 -5.13 105.19 104.14 3bdm n GLY 12 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3bdm n GLY 12 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3bdm n GLU 12 N 0.00 0.00 -3.04 1.61 2.13 -1.25 -5.02 120.64 115.07 3bdm n GLU 12 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 3bdm n GLU 12 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 3bdm n GLU 12 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3bdm n GLU 125 N 0.00 1.24 -2.02 5.31 2.13 -1.26 -4.98 120.64 121.05 3bdm n GLU 125 Ca 0.00 -3.49 -0.27 0.00 0.66 0.00 0.00 57.16 54.05 3bdm n GLU 125 Cb 0.00 -1.66 -0.05 0.00 0.27 0.00 0.00 31.44 30.00 3bdm n GLU 125 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3bdm s ARG 126 N -2.68 2.52 -0.33 5.31 3.03 -1.26 -4.93 118.95 120.60 3bdm s ARG 126 Ca 0.38 -0.15 -0.11 0.00 2.03 0.00 0.00 55.73 57.88 3bdm s ARG 126 Cb 0.37 -4.98 -0.00 0.00 -1.03 0.00 0.00 34.95 29.31 3bdm s ARG 126 CO -0.06 -3.36 0.18 -1.17 -1.13 0.00 0.00 175.30 169.76 3bdm s LEU 127 N 10.20 4.34 0.00 -1.89 2.96 -1.26 -3.98 118.68 129.05 3bdm s LEU 127 Ca 0.71 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 3bdm s LEU 127 Cb -0.08 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.58 3bdm s LEU 127 CO 0.02 -0.25 0.00 0.80 -1.32 0.00 0.00 176.35 175.60 3bdm n MET 128 N 5.01 0.00 -0.02 1.98 1.56 -1.26 -4.92 117.12 119.47 3bdm n MET 128 Ca -0.13 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.27 3bdm n MET 128 Cb 0.49 0.00 0.23 0.00 2.15 0.00 0.00 33.22 36.08 3bdm n MET 128 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 3bdm h SER 129 N 0.00 0.55 -5.08 6.12 4.64 -1.90 -1.55 113.55 116.33 3bdm h SER 129 Ca 0.00 -0.14 -0.31 0.00 -0.47 0.00 0.00 61.79 60.87 3bdm h SER 129 Cb 0.00 -0.15 -0.15 0.00 -0.31 0.00 0.00 62.40 61.80 3bdm h SER 129 CO 0.00 0.69 -0.60 0.00 -0.87 0.00 0.00 176.83 176.05 3bdm s ARG 130 N -4.79 1.35 0.94 4.77 1.70 -1.26 -4.29 118.95 117.38 3bdm s ARG 130 Ca -0.08 -1.73 -0.14 0.00 -0.47 0.00 0.00 55.73 53.31 3bdm s ARG 130 Cb 0.15 0.03 0.16 0.00 -0.57 0.00 0.00 34.95 34.71 3bdm s ARG 130 CO 0.79 -0.37 1.18 -2.14 -1.08 0.00 0.00 175.30 173.67 3bdm s PRO 131 N -4.04 0.85 0.26 3.89 0.02 -1.26 -4.87 135.00 129.84 3bdm s PRO 131 Ca 0.38 0.08 -0.30 0.00 0.02 0.00 0.00 61.00 61.19 3bdm s PRO 131 Cb 0.07 -1.82 -0.09 0.00 0.02 0.00 0.00 34.50 32.67 3bdm s PRO 131 CO 0.14 -2.36 1.00 -0.06 -0.33 0.00 0.00 177.00 175.40 3bdm s PHE 132 N -3.40 3.82 -0.55 6.54 2.99 -1.26 -4.96 117.98 121.16 3bdm s PHE 132 Ca 0.66 1.83 0.01 0.00 0.00 0.00 0.00 56.93 59.44 3bdm s PHE 132 Cb -0.11 -3.10 0.54 0.00 0.00 0.00 0.00 43.02 40.34 3bdm s PHE 132 CO 0.53 0.05 1.92 0.41 -0.00 0.00 0.00 175.22 178.13 3bdm n GLY 133 N 1.35 5.33 3.05 4.36 0.00 -1.26 -4.65 105.19 113.37 3bdm n GLY 133 Ca -0.02 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 3bdm n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdm s VAL 134 N -4.15 0.05 0.31 1.61 0.11 -1.26 0.09 120.40 117.16 3bdm s VAL 134 Ca 0.60 -0.38 0.08 0.00 -2.93 0.00 0.00 61.98 59.35 3bdm s VAL 134 Cb 0.49 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 35.01 3bdm s VAL 134 CO 0.04 -0.21 0.21 0.00 -3.33 0.00 0.00 175.10 171.82 3bdm s ALA 135 N -0.68 3.66 0.04 1.54 0.00 -0.29 -4.39 121.76 121.64 3bdm s ALA 135 Ca -0.08 -1.64 0.02 0.00 0.00 0.00 0.00 51.96 50.26 3bdm s ALA 135 Cb -0.05 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 3bdm s ALA 135 CO 0.01 0.08 -0.07 -0.51 0.00 0.00 0.00 175.76 175.27 3bdm s LEU 136 N -3.90 2.23 -0.26 0.00 1.43 -0.57 -1.98 118.68 115.63 3bdm s LEU 136 Ca 0.38 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3bdm s LEU 136 Cb -0.05 -0.16 0.04 0.00 0.03 0.00 0.00 46.19 46.04 3bdm s LEU 136 CO 0.25 -0.18 -0.06 -0.76 0.23 0.00 0.00 176.35 175.82 3bdm s LEU 137 N -1.44 3.38 -0.21 1.79 1.43 0.85 -1.43 118.68 123.06 3bdm s LEU 137 Ca -0.09 -1.08 -0.07 0.00 -1.03 0.00 0.00 54.13 51.86 3bdm s LEU 137 Cb -0.09 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 3bdm s LEU 137 CO 0.00 -0.17 0.05 -0.63 0.23 0.00 0.00 176.35 175.83 3bdm s ILE 138 N 1.26 4.39 -0.01 -0.59 1.01 0.38 -0.39 121.20 127.24 3bdm s ILE 138 Ca -0.03 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.49 3bdm s ILE 138 Cb -0.18 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 3bdm s ILE 138 CO -0.04 0.41 -0.10 0.00 0.00 0.00 0.00 174.94 175.20 3bdm s ALA 139 N 0.99 0.83 0.01 9.38 0.00 -0.05 0.90 121.76 133.83 3bdm s ALA 139 Ca 0.03 -0.43 -0.09 0.00 0.00 0.00 0.00 51.96 51.47 3bdm s ALA 139 Cb -0.14 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.79 3bdm s ALA 139 CO 0.03 0.20 0.40 0.41 0.00 0.00 0.00 175.76 176.80 3bdm n GLY 140 N 2.84 0.63 2.97 0.00 0.00 -0.47 -0.97 105.19 110.19 3bdm n GLY 140 Ca -0.14 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.18 0.34 0.03 1.61 2.46 -0.89 0.03 115.29 115.69 3bdm s HIS 141 Ca 0.09 -0.34 -0.16 0.00 0.47 0.00 0.00 55.06 55.12 3bdm s HIS 141 Cb -0.00 -0.22 0.03 0.00 -0.13 0.00 0.00 32.58 32.25 3bdm s HIS 141 CO 0.00 -0.09 0.36 0.16 -2.47 0.00 0.00 174.74 172.70 3bdm s ASP 142 N -0.97 -0.22 0.39 9.88 3.84 -0.83 -4.84 116.67 123.91 3bdm s ASP 142 Ca -0.08 -0.03 0.22 0.00 -0.00 0.00 0.00 52.55 52.66 3bdm s ASP 142 Cb -0.07 0.38 1.18 0.00 -1.38 0.00 0.00 42.92 43.04 3bdm s ASP 142 CO -0.00 -0.60 1.63 0.00 -0.00 0.00 0.00 175.17 176.20 3bdm h ALA 143 N 3.28 1.10 0.06 2.11 0.00 -1.98 -0.41 119.26 123.42 3bdm h ALA 143 Ca -0.31 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.32 3bdm h ALA 143 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3bdm h ALA 143 CO 0.43 -0.10 -1.52 -0.44 0.00 0.00 0.00 179.25 177.63 3bdm h ASP 144 N 0.00 0.21 0.00 0.00 5.19 -2.02 -3.42 116.42 116.39 3bdm h ASP 144 Ca 0.00 -0.73 -0.08 0.00 -0.62 0.00 0.00 57.03 55.61 3bdm h ASP 144 Cb 0.26 -0.07 -0.17 0.00 0.18 0.00 0.00 39.33 39.54 3bdm h ASP 144 CO 0.00 1.63 -0.69 0.47 -3.12 0.00 0.00 179.24 177.53 3bdm n ASP 14 N -4.03 1.32 0.00 6.45 9.92 -1.18 -5.12 116.55 123.92 3bdm n ASP 14 Ca -0.30 -2.88 0.00 0.00 -0.53 0.00 0.00 54.79 51.07 3bdm n ASP 14 Cb 0.84 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 3bdm n ASP 14 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3bdm n GLY 145 N -0.37 2.39 3.73 0.44 0.00 -0.17 -4.58 105.19 106.63 3bdm n GLY 145 Ca 0.12 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3bdm n GLY 145 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bdm s TYR 146 N 0.00 3.51 -0.00 1.61 2.02 -1.26 -1.97 117.35 121.26 3bdm s TYR 146 Ca 0.00 1.46 -0.03 0.00 -0.37 0.00 0.00 57.07 58.13 3bdm s TYR 146 Cb 0.00 -3.35 -0.00 0.00 -0.40 0.00 0.00 41.96 38.21 3bdm s TYR 146 CO 0.00 -0.93 0.06 -0.65 -1.57 0.00 0.00 175.55 172.46 3bdm s GLN 147 N 0.25 0.30 -0.05 -0.62 -0.21 0.10 -4.98 119.66 114.45 3bdm s GLN 147 Ca 0.54 -0.32 0.04 0.00 0.02 0.00 0.00 55.36 55.64 3bdm s GLN 147 Cb -0.30 0.12 0.00 0.00 1.00 0.00 0.00 33.01 33.84 3bdm s GLN 147 CO 0.33 -0.06 -0.16 -1.17 -2.12 0.00 0.00 175.29 172.11 3bdm s LEU 148 N -0.97 1.86 0.04 2.90 2.96 -1.26 -1.37 118.68 122.84 3bdm s LEU 148 Ca -0.11 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.50 3bdm s LEU 148 Cb -0.06 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 3bdm s LEU 148 CO 0.00 0.12 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.67 3bdm s PHE 149 N 0.22 1.04 -0.24 5.38 0.08 0.26 -2.16 117.98 122.56 3bdm s PHE 149 Ca -0.07 -0.37 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 3bdm s PHE 149 Cb -0.13 -0.61 0.02 0.00 -0.57 0.00 0.00 43.02 41.73 3bdm s PHE 149 CO 0.03 0.01 -0.08 -1.58 -0.10 0.00 0.00 175.22 173.50 3bdm s HIS 150 N -0.95 3.03 -0.17 0.36 5.65 0.28 -0.47 115.29 123.02 3bdm s HIS 150 Ca -0.01 -1.56 -0.02 0.00 0.25 0.00 0.00 55.06 53.71 3bdm s HIS 150 Cb -0.08 -2.03 -0.01 0.00 -1.18 0.00 0.00 32.58 29.27 3bdm s HIS 150 CO 0.01 -0.73 -0.08 0.00 -0.65 0.00 0.00 174.74 173.28 3bdm s ALA 151 N 1.32 2.76 0.33 1.58 0.00 -0.51 -1.69 121.76 125.55 3bdm s ALA 151 Ca 0.01 -0.97 0.09 0.00 0.00 0.00 0.00 51.96 51.09 3bdm s ALA 151 Cb -0.16 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 3bdm s ALA 151 CO -0.06 0.01 -0.01 -1.21 0.00 0.00 0.00 175.76 174.49 3bdm s GLU 152 N 0.73 2.05 0.00 0.00 2.02 -0.98 -1.51 118.70 121.01 3bdm s GLU 152 Ca -0.04 -1.74 0.04 0.00 0.02 0.00 0.00 54.97 53.25 3bdm s GLU 152 Cb -0.15 -1.92 0.20 0.00 0.10 0.00 0.00 34.13 32.37 3bdm s GLU 152 CO 0.02 0.16 1.06 -2.30 0.02 0.00 0.00 175.26 174.22 3bdm n PRO 153 N -0.92 0.03 0.08 0.39 -0.02 -1.26 -1.26 135.00 132.04 3bdm n PRO 153 Ca -0.04 0.34 -0.08 0.00 -2.02 0.00 0.00 63.50 61.69 3bdm n PRO 153 Cb 0.62 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.63 3bdm n PRO 153 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3bdm h SER 154 N 0.00 0.32 0.00 2.55 4.64 -1.92 -3.41 113.55 115.72 3bdm h SER 154 Ca 0.00 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3bdm h SER 154 Cb 0.06 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3bdm h SER 154 CO 0.00 0.98 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 3bdm n GLY 155 N 0.66 0.90 3.77 -0.77 0.00 -0.39 -4.56 105.19 104.81 3bdm n GLY 155 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 3bdm n GLY 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bdm s THR 156 N -2.00 3.58 -0.01 2.61 -4.23 -1.26 -4.74 115.64 109.59 3bdm s THR 156 Ca 0.00 -1.58 -0.15 0.00 -1.18 0.00 0.00 61.69 58.78 3bdm s THR 156 Cb 0.00 -3.11 0.02 0.00 1.34 0.00 0.00 72.50 70.75 3bdm s THR 156 CO 0.00 -0.26 0.31 0.72 -0.54 0.00 0.00 174.62 174.86 3bdm s PHE 157 N -2.31 -0.18 0.20 3.99 -0.12 -1.26 -2.33 117.98 115.98 3bdm s PHE 157 Ca 0.36 0.24 0.07 0.00 -0.05 0.00 0.00 56.93 57.55 3bdm s PHE 157 Cb -0.05 0.10 -0.05 0.00 -0.63 0.00 0.00 43.02 42.39 3bdm s PHE 157 CO 0.24 -0.41 -0.12 0.71 -0.05 0.00 0.00 175.22 175.58 3bdm s TYR 158 N -1.48 1.66 -0.12 3.49 2.02 -0.68 -4.95 117.35 117.29 3bdm s TYR 158 Ca -0.12 -0.62 -0.03 0.00 -0.37 0.00 0.00 57.07 55.92 3bdm s TYR 158 Cb -0.05 -0.81 -0.03 0.00 -0.40 0.00 0.00 41.96 40.67 3bdm s TYR 158 CO 0.03 0.30 -0.00 0.50 -1.57 0.00 0.00 175.55 174.81 3bdm s ARG 159 N -3.68 3.37 0.12 -0.62 3.52 -1.26 -0.56 118.95 119.84 3bdm s ARG 159 Ca 0.23 -0.44 0.06 0.00 -0.13 0.00 0.00 55.73 55.45 3bdm s ARG 159 Cb 0.00 -2.90 -0.04 0.00 -1.56 0.00 0.00 34.95 30.46 3bdm s ARG 159 CO 0.06 0.48 -0.15 0.71 -0.81 0.00 0.00 175.30 175.59 3bdm s TYR 160 N -0.27 1.46 -0.09 5.12 1.51 -0.92 -4.98 117.35 119.18 3bdm s TYR 160 Ca 0.06 -0.52 0.14 0.00 -1.01 0.00 0.00 57.07 55.74 3bdm s TYR 160 Cb -0.12 -0.77 -0.08 0.00 -0.11 0.00 0.00 41.96 40.88 3bdm s TYR 160 CO 0.02 0.16 1.12 -0.91 -1.11 0.00 0.00 175.55 174.83 3bdm h ASN 161 N 3.66 0.00 -4.09 2.29 -0.26 -1.92 -3.37 115.58 111.90 3bdm h ASN 161 Ca -0.41 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.29 3bdm h ASN 161 Cb 1.19 0.00 -0.21 0.00 -1.06 0.00 0.00 38.32 38.25 3bdm h ASN 161 CO 0.48 0.65 0.13 0.00 -1.06 0.00 0.00 177.43 177.63 3bdm s ALA 162 N -2.88 -1.78 -0.20 -0.83 0.00 -1.26 -0.56 121.76 114.25 3bdm s ALA 162 Ca 0.00 1.97 -0.26 0.00 0.00 0.00 0.00 51.96 53.67 3bdm s ALA 162 Cb 0.08 -1.08 0.07 0.00 0.00 0.00 0.00 23.12 22.19 3bdm s ALA 162 CO 0.79 -0.34 0.68 0.21 0.00 0.00 0.00 175.76 177.10 3bdm s LYS 163 N 0.25 0.87 -0.02 0.00 2.47 0.00 -4.99 119.74 118.31 3bdm s LYS 163 Ca -0.01 0.77 0.04 0.00 -1.56 0.00 0.00 55.97 55.21 3bdm s LYS 163 Cb -0.05 0.42 -0.00 0.00 -1.46 0.00 0.00 37.83 36.74 3bdm s LYS 163 CO 0.02 -0.16 -0.14 0.00 0.16 0.00 0.00 175.35 175.24 3bdm s ALA 164 N -0.05 1.19 0.04 3.13 0.00 -1.26 -0.45 121.76 124.37 3bdm s ALA 164 Ca -0.03 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.40 3bdm s ALA 164 Cb -0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3bdm s ALA 164 CO 0.03 0.25 -0.09 0.96 0.00 0.00 0.00 175.76 176.91 3bdm s ILE 165 N -0.09 0.67 -0.52 0.00 -4.36 0.34 -4.72 121.20 112.52 3bdm s ILE 165 Ca 0.01 -1.02 0.00 0.00 -0.26 0.00 0.00 60.65 59.37 3bdm s ILE 165 Cb -0.08 -0.69 0.00 0.00 1.25 0.00 0.00 42.46 42.94 3bdm s ILE 165 CO 0.00 -0.27 0.00 0.61 0.24 0.00 0.00 174.94 175.52 3bdm n GLY 166 N 1.62 0.38 0.37 6.27 0.00 -1.26 -0.63 105.19 111.95 3bdm n GLY 166 Ca -0.21 -2.27 0.15 0.00 0.00 0.00 0.00 46.02 43.69 3bdm n GLY 166 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bdm h SER 167 N 0.00 0.67 -0.22 1.61 4.64 -0.02 -2.03 113.55 118.21 3bdm h SER 167 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3bdm h SER 167 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3bdm h SER 167 CO 0.00 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 3bdm n GLY 168 N -1.39 1.20 0.30 -0.77 0.00 -1.26 -4.71 105.19 98.55 3bdm n GLY 168 Ca 0.22 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 4.14 -1.38 -0.97 1.61 4.64 -1.64 -1.07 113.55 118.87 3bdm h SER 169 Ca 0.00 0.20 0.27 0.00 -0.47 0.00 0.00 61.79 61.78 3bdm h SER 169 Cb 0.90 0.59 -0.18 0.00 -0.31 0.00 0.00 62.40 63.40 3bdm h SER 169 CO 0.00 -0.22 0.04 1.05 -0.87 0.00 0.00 176.83 176.83 3bdm h GLU 170 N -0.14 0.02 0.01 4.77 9.09 -1.84 0.91 114.58 127.39 3bdm h GLU 170 Ca 0.08 -0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.46 3bdm h GLU 170 Cb 0.35 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 3bdm h GLU 170 CO -0.52 0.01 -0.12 0.78 0.05 0.00 0.00 179.01 179.22 3bdm h GLY 171 N 0.02 0.06 0.68 1.06 0.00 -1.86 -3.18 103.07 99.85 3bdm h GLY 171 Ca 0.59 -0.14 0.10 0.00 0.00 0.00 0.00 47.33 47.89 3bdm h GLY 171 CO -0.90 0.12 0.58 0.00 0.00 0.00 0.00 176.54 176.34 3bdm h ALA 172 N 0.11 1.63 -0.63 3.60 0.00 0.15 0.53 119.26 124.65 3bdm h ALA 172 Ca -0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3bdm h ALA 172 Cb 1.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3bdm h ALA 172 CO 0.02 0.18 0.18 0.37 0.00 0.00 0.00 179.25 180.00 3bdm h GLN 173 N 0.89 0.98 -0.76 0.00 5.75 0.67 -1.41 115.11 121.22 3bdm h GLN 173 Ca 0.42 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.70 3bdm h GLN 173 Cb 0.43 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 3bdm h GLN 173 CO -0.19 0.85 0.39 0.00 -2.65 0.00 0.00 178.83 177.24 3bdm h ALA 174 N 1.25 0.98 0.46 3.38 0.00 -0.92 -0.33 119.26 124.08 3bdm h ALA 174 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3bdm h ALA 174 Cb 0.30 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3bdm h ALA 174 CO -0.00 0.52 -0.34 1.49 0.00 0.00 0.00 179.25 180.92 3bdm h GLU 175 N 1.06 -0.75 -0.92 0.00 4.57 -0.47 -2.68 114.58 115.40 3bdm h GLU 175 Ca 0.27 0.05 0.15 0.00 -1.18 0.00 0.00 59.36 58.64 3bdm h GLU 175 Cb 0.07 0.17 -0.09 0.00 -0.16 0.00 0.00 28.75 28.74 3bdm h GLU 175 CO -0.04 -0.50 0.52 -0.07 -1.18 0.00 0.00 179.01 177.74 3bdm h LEU 176 N -0.78 0.69 -1.17 1.64 3.38 -0.95 -0.10 115.31 118.01 3bdm h LEU 176 Ca -0.05 0.08 0.24 0.00 0.09 0.00 0.00 57.88 58.25 3bdm h LEU 176 Cb 0.66 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.26 3bdm h LEU 176 CO 0.01 0.30 0.63 0.25 0.09 0.00 0.00 178.44 179.72 3bdm h LEU 177 N 0.75 0.59 0.01 1.67 7.12 -0.71 -0.50 115.31 124.24 3bdm h LEU 177 Ca 0.49 0.10 -0.23 0.00 0.13 0.00 0.00 57.88 58.37 3bdm h LEU 177 Cb 0.65 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.76 3bdm h LEU 177 CO -0.34 0.13 -1.26 0.78 -0.13 0.00 0.00 178.44 177.63 3bdm h ASN 178 N 0.53 0.02 -0.54 1.25 2.35 -1.04 -3.41 115.58 114.75 3bdm h ASN 178 Ca 0.61 -0.55 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3bdm h ASN 178 Cb 1.28 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.61 3bdm h ASN 178 CO -0.37 1.50 0.35 -0.33 -1.65 0.00 0.00 177.43 176.92 3bdm h GLU 179 N -0.94 0.68 -7.01 0.81 4.39 -0.87 -3.45 114.58 108.19 3bdm h GLU 179 Ca -0.34 -0.04 -0.53 0.00 0.34 0.00 0.00 59.36 58.79 3bdm h GLU 179 Cb 1.34 -0.15 0.10 0.00 -0.10 0.00 0.00 28.75 29.93 3bdm h GLU 179 CO -0.19 0.45 0.56 -0.46 -1.16 0.00 0.00 179.01 178.21 3bdm s TRP 180 N -6.15 2.60 0.00 4.33 -0.00 -0.22 -5.06 118.94 114.44 3bdm s TRP 180 Ca -0.13 1.44 0.00 0.00 -0.00 0.00 0.00 56.10 57.41 3bdm s TRP 180 Cb 0.13 -3.62 0.00 0.00 -0.00 0.00 0.00 33.47 29.98 3bdm s TRP 180 CO 0.74 -2.23 0.00 -2.39 -0.00 0.00 0.00 176.95 173.08 3bdm n HIS 18 N -0.63 0.00 -0.06 5.86 1.44 -1.26 -4.98 115.22 115.59 3bdm n HIS 18 Ca 0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 3bdm n HIS 18 Cb 0.46 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.57 3bdm n HIS 18 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 3bdm n SER 18 N 0.00 0.00 -4.70 4.39 3.41 -1.26 -4.94 113.62 110.52 3bdm n SER 18 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 3bdm n SER 18 Cb 0.00 -0.18 0.09 0.00 -0.26 0.00 0.00 64.21 63.85 3bdm n SER 18 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bdm n LEU 184 N -0.06 5.09 -4.90 1.04 4.77 -1.26 -5.02 117.00 116.66 3bdm n LEU 184 Ca 0.00 0.73 -0.20 0.00 -0.03 0.00 0.00 56.01 56.51 3bdm n LEU 184 Cb 0.00 -1.51 -0.02 0.00 -2.33 0.00 0.00 43.42 39.55 3bdm n LEU 184 CO 0.00 -1.40 -0.01 0.42 -1.33 0.00 0.00 177.39 175.07 3bdm s THR 185 N -1.67 3.48 0.12 -5.08 -4.23 -1.26 -4.41 115.64 102.59 3bdm s THR 185 Ca 0.78 -1.24 -0.20 0.00 -1.18 0.00 0.00 61.69 59.86 3bdm s THR 185 Cb -0.35 -3.19 -0.06 0.00 1.34 0.00 0.00 72.50 70.24 3bdm s THR 185 CO 0.45 -0.13 1.76 0.25 -0.54 0.00 0.00 174.62 176.41 3bdm h LEU 186 N 1.07 0.14 -0.30 4.79 5.85 -1.92 -1.54 115.31 123.40 3bdm h LEU 186 Ca -0.44 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.34 3bdm h LEU 186 Cb 1.26 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 3bdm h LEU 186 CO 0.56 0.11 0.03 0.11 -0.34 0.00 0.00 178.44 178.90 3bdm h LYS 187 N 0.20 0.12 -0.27 1.25 1.79 -1.99 0.61 116.57 118.29 3bdm h LYS 187 Ca 0.08 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.61 3bdm h LYS 187 Cb 0.02 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.58 3bdm h LYS 187 CO -0.06 0.08 -0.17 0.93 -1.08 0.00 0.00 179.45 179.15 3bdm h GLU 188 N 0.13 -0.14 -0.72 3.15 5.08 -1.88 -0.18 114.58 120.03 3bdm h GLU 188 Ca 0.14 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 3bdm h GLU 188 Cb 0.17 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3bdm h GLU 188 CO -0.22 -0.09 0.47 0.00 -1.00 0.00 0.00 179.01 178.18 3bdm h ALA 189 N 1.04 1.60 -0.03 3.43 0.00 -0.72 0.48 119.26 125.06 3bdm h ALA 189 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3bdm h ALA 189 Cb 0.37 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3bdm h ALA 189 CO -0.36 0.32 0.02 0.93 0.00 0.00 0.00 179.25 180.15 3bdm h GLU 190 N 0.85 0.04 -0.51 0.00 5.08 0.84 0.06 114.58 120.95 3bdm h GLU 190 Ca 0.29 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 3bdm h GLU 190 Cb 0.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3bdm h GLU 190 CO -0.08 0.08 0.05 -0.07 -1.00 0.00 0.00 179.01 177.99 3bdm h LEU 191 N -0.01 0.84 -0.39 1.33 -0.00 -0.73 -1.56 115.31 114.78 3bdm h LEU 191 Ca 0.01 -0.28 0.03 0.00 -0.00 0.00 0.00 57.88 57.65 3bdm h LEU 191 Cb 0.05 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.46 3bdm h LEU 191 CO -0.00 0.91 0.18 0.25 -0.00 0.00 0.00 178.44 179.77 3bdm h LEU 192 N 0.74 0.25 -0.17 1.67 5.85 -0.71 0.48 115.31 123.41 3bdm h LEU 192 Ca 0.15 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3bdm h LEU 192 Cb 0.45 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3bdm h LEU 192 CO 0.02 0.18 0.10 0.58 -0.34 0.00 0.00 178.44 178.98 3bdm h VAL 193 N 0.37 1.08 -0.48 1.05 2.07 -0.89 -1.22 116.25 118.23 3bdm h VAL 193 Ca 0.17 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3bdm h VAL 193 Cb 0.09 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3bdm h VAL 193 CO -0.13 0.07 0.28 0.25 0.02 0.00 0.00 177.57 178.06 3bdm h LEU 194 N 0.19 0.58 -0.04 2.57 5.85 -0.74 -1.68 115.31 122.04 3bdm h LEU 194 Ca 0.06 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3bdm h LEU 194 Cb 0.03 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 3bdm h LEU 194 CO -0.01 0.46 -0.04 0.50 -0.34 0.00 0.00 178.44 179.00 3bdm h LYS 195 N 0.67 0.10 -0.42 1.25 3.64 0.43 -2.71 116.57 119.53 3bdm h LYS 195 Ca 0.17 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3bdm h LYS 195 Cb -0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3bdm h LYS 195 CO -0.03 0.58 0.12 0.82 -2.27 0.00 0.00 179.45 178.67 3bdm h ILE 196 N -0.38 1.18 -0.58 2.00 2.04 -1.06 -1.33 117.51 119.38 3bdm h ILE 196 Ca 0.00 -0.62 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 3bdm h ILE 196 Cb 0.57 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3bdm h ILE 196 CO 0.01 0.23 0.11 -0.07 0.00 0.00 0.00 178.15 178.43 3bdm h LEU 197 N 0.60 0.88 -0.58 1.44 3.38 -1.32 -2.42 115.31 117.29 3bdm h LEU 197 Ca 0.14 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3bdm h LEU 197 Cb 0.20 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3bdm h LEU 197 CO -0.01 0.88 0.18 0.50 0.09 0.00 0.00 178.44 180.08 3bdm h LYS 198 N 0.88 0.90 0.28 1.13 3.64 -0.93 -0.86 116.57 121.62 3bdm h LYS 198 Ca 0.18 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3bdm h LYS 198 Cb 0.37 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3bdm h LYS 198 CO 0.01 0.81 -0.13 1.96 -2.27 0.00 0.00 179.45 179.82 3bdm h GLN 199 N 0.82 -0.36 0.00 1.90 4.20 -1.12 -3.25 115.11 117.30 3bdm h GLN 199 Ca 0.19 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 3bdm h GLN 199 Cb 0.29 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 3bdm h GLN 199 CO -0.01 -0.12 -0.02 -0.39 -0.67 0.00 0.00 178.83 177.63 3bdm h VAL 200 N -0.55 0.03 -3.46 -0.54 -1.51 -1.46 -3.46 116.25 105.30 3bdm h VAL 200 Ca -0.04 -0.84 -0.52 0.00 -1.23 0.00 0.00 66.70 64.07 3bdm h VAL 200 Cb 0.41 1.81 0.01 0.00 -2.13 0.00 0.00 31.29 31.39 3bdm h VAL 200 CO 0.06 0.02 0.53 -0.04 -1.23 0.00 0.00 177.57 176.91 3bdm s MET 201 N -3.40 4.51 0.40 5.19 -1.94 -0.33 -4.81 119.30 118.92 3bdm s MET 201 Ca 0.04 1.81 0.12 0.00 -1.71 0.00 0.00 55.69 55.95 3bdm s MET 201 Cb 0.07 -3.27 0.82 0.00 2.01 0.00 0.00 34.83 34.46 3bdm s MET 201 CO 0.62 -0.07 1.90 0.93 -0.01 0.00 0.00 175.02 178.40 3bdm h GLU 202 N 5.45 0.10 -6.70 2.03 4.39 -1.89 -3.44 114.58 114.53 3bdm h GLU 202 Ca -0.44 -0.03 -0.44 0.00 0.34 0.00 0.00 59.36 58.79 3bdm h GLU 202 Cb 1.21 -0.01 0.03 0.00 -0.10 0.00 0.00 28.75 29.89 3bdm h GLU 202 CO 0.75 0.33 -0.11 -1.21 -1.16 0.00 0.00 179.01 177.61 3bdm s GLU 205 N -4.53 2.80 -0.26 2.33 0.41 -1.26 -5.04 118.70 113.14 3bdm s GLU 205 Ca -0.04 -0.76 -0.29 0.00 -0.41 0.00 0.00 54.97 53.46 3bdm s GLU 205 Cb 0.15 -2.57 0.01 0.00 -1.78 0.00 0.00 34.13 29.94 3bdm s GLU 205 CO 0.72 -0.45 1.05 0.21 -0.49 0.00 0.00 175.26 176.30 3bdm s LYS 206 N -4.59 4.19 0.12 1.61 2.20 -1.26 -4.96 119.74 117.04 3bdm s LYS 206 Ca 0.53 1.24 -0.31 0.00 -0.36 0.00 0.00 55.97 57.07 3bdm s LYS 206 Cb -0.10 -3.68 -0.10 0.00 -1.51 0.00 0.00 37.83 32.44 3bdm s LYS 206 CO 0.37 -0.73 1.79 -1.17 -0.36 0.00 0.00 175.35 175.25 3bdm s LEU 207 N 3.35 4.39 0.25 5.43 0.20 -1.26 -4.92 118.68 126.12 3bdm s LEU 207 Ca 0.44 2.73 -0.08 0.00 0.69 0.00 0.00 54.13 57.91 3bdm s LEU 207 Cb -0.14 -3.57 -0.01 0.00 -0.43 0.00 0.00 46.19 42.04 3bdm s LEU 207 CO 0.09 -0.98 0.38 1.51 -0.29 0.00 0.00 176.35 177.06 3bdm s ASP 208 N 2.52 0.14 -0.40 3.68 -4.77 -1.26 -5.07 116.67 111.52 3bdm s ASP 208 Ca 0.79 -1.15 -0.05 0.00 -3.30 0.00 0.00 52.55 48.84 3bdm s ASP 208 Cb -0.45 0.54 -0.15 0.00 -1.09 0.00 0.00 42.92 41.77 3bdm s ASP 208 CO 0.35 -1.08 2.60 -1.84 0.70 0.00 0.00 175.17 175.90 3bdm n GLU 209 N -0.38 1.83 0.00 2.11 0.00 -1.26 -3.11 120.64 119.83 3bdm n GLU 209 Ca -0.00 -1.05 0.00 0.00 0.00 0.00 0.00 57.16 56.11 3bdm n GLU 209 Cb 0.63 -2.10 0.00 0.00 0.00 0.00 0.00 31.44 29.97 3bdm n GLU 209 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3bdm n ASN 20 N 3.11 0.00 -4.06 -1.84 0.23 -1.26 -4.78 115.26 106.67 3bdm n ASN 20 Ca 0.39 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 54.36 3bdm n ASN 20 Cb 0.48 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.09 3bdm n ASN 20 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3bdm s ALA 210 N 0.00 0.46 -0.27 -2.53 0.00 -1.18 -0.51 121.76 117.72 3bdm s ALA 210 Ca 0.00 -1.18 -0.22 0.00 0.00 0.00 0.00 51.96 50.57 3bdm s ALA 210 Cb 0.00 0.61 0.08 0.00 0.00 0.00 0.00 23.12 23.81 3bdm s ALA 210 CO 0.00 -0.48 0.74 -1.14 0.00 0.00 0.00 175.76 174.88 3bdm s GLN 211 N -3.97 0.76 0.46 0.00 0.74 -0.89 -4.81 119.66 111.96 3bdm s GLN 211 Ca 0.15 1.04 0.06 0.00 0.05 0.00 0.00 55.36 56.65 3bdm s GLN 211 Cb 0.07 0.30 -0.02 0.00 1.10 0.00 0.00 33.01 34.45 3bdm s GLN 211 CO -0.04 -0.11 0.18 -0.51 -0.55 0.00 0.00 175.29 174.26 3bdm s LEU 212 N 0.82 2.83 0.00 3.68 1.43 -1.26 -1.73 118.68 124.45 3bdm s LEU 212 Ca -0.03 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 3bdm s LEU 212 Cb -0.05 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 44.98 3bdm s LEU 212 CO -0.07 -0.74 0.00 -1.54 0.23 0.00 0.00 176.35 174.23 3bdm n SER 213 N -1.35 0.00 -3.50 2.29 3.41 -0.94 -2.10 113.62 111.43 3bdm n SER 213 Ca -0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.49 3bdm n SER 213 Cb 0.65 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.60 3bdm n SER 213 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bdm s ILE 215 N -3.21 0.77 0.04 0.00 1.10 -0.75 -1.09 121.20 118.06 3bdm s ILE 215 Ca 0.13 -0.18 0.06 0.00 -0.51 0.00 0.00 60.65 60.15 3bdm s ILE 215 Cb -0.05 -0.81 -0.02 0.00 0.15 0.00 0.00 42.46 41.73 3bdm s ILE 215 CO 0.08 0.31 -0.17 0.42 -2.11 0.00 0.00 174.94 173.47 3bdm s THR 216 N 1.44 1.34 0.53 4.00 -4.23 -1.05 -1.88 115.64 115.80 3bdm s THR 216 Ca -0.02 -1.09 0.22 0.00 -1.18 0.00 0.00 61.69 59.62 3bdm s THR 216 Cb -0.13 -1.19 0.33 0.00 1.34 0.00 0.00 72.50 72.85 3bdm s THR 216 CO -0.04 0.08 2.09 0.50 -0.54 0.00 0.00 174.62 176.71 3bdm h LYS 217 N 4.89 0.00 0.07 3.99 3.64 -1.90 0.45 116.57 127.71 3bdm h LYS 217 Ca -0.40 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.88 3bdm h LYS 217 Cb 1.17 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3bdm h LYS 217 CO 0.44 0.00 -0.44 0.37 -2.27 0.00 0.00 179.45 177.55 3bdm h GLN 218 N 0.00 0.17 -0.04 1.90 4.15 -1.97 -3.39 115.11 115.93 3bdm h GLN 218 Ca 0.11 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.25 3bdm h GLN 218 Cb 0.46 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.26 3bdm h GLN 218 CO -0.00 1.12 0.00 -0.25 -1.93 0.00 0.00 178.83 177.77 3bdm n ASP 219 N -4.35 1.92 0.00 -0.69 9.92 -1.15 -5.10 116.55 117.11 3bdm n ASP 219 Ca -0.12 -1.47 0.00 0.00 -0.53 0.00 0.00 54.79 52.67 3bdm n ASP 219 Cb 0.66 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 3bdm n ASP 219 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3bdm n GLY 220 N 0.54 0.25 3.64 0.44 0.00 0.16 -4.70 105.19 105.51 3bdm n GLY 220 Ca 0.06 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 3bdm n GLY 220 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bdm s PHE 221 N 0.00 3.27 0.01 1.61 2.19 -0.37 -2.53 117.98 122.16 3bdm s PHE 221 Ca 0.00 1.24 0.03 0.00 0.33 0.00 0.00 56.93 58.53 3bdm s PHE 221 Cb 0.00 -3.31 -0.01 0.00 -1.31 0.00 0.00 43.02 38.39 3bdm s PHE 221 CO 0.00 -0.54 -0.10 0.15 1.83 0.00 0.00 175.22 176.56 3bdm s LYS 222 N 3.19 0.75 -0.25 10.12 -0.14 -0.25 -5.01 119.74 128.15 3bdm s LYS 222 Ca 0.41 -0.48 -0.07 0.00 -1.36 0.00 0.00 55.97 54.47 3bdm s LYS 222 Cb -0.14 -0.71 -0.02 0.00 -1.68 0.00 0.00 37.83 35.28 3bdm s LYS 222 CO 0.09 0.18 0.05 0.42 -0.76 0.00 0.00 175.35 175.33 3bdm s ILE 223 N -0.52 4.09 0.12 2.17 1.01 -1.26 -1.09 121.20 125.72 3bdm s ILE 223 Ca 0.01 -0.28 -0.32 0.00 0.00 0.00 0.00 60.65 60.05 3bdm s ILE 223 Cb -0.05 -2.92 -0.12 0.00 0.01 0.00 0.00 42.46 39.38 3bdm s ILE 223 CO 0.00 0.33 1.76 -1.22 0.00 0.00 0.00 174.94 175.81 3bdm n TYR 224 N 4.89 2.52 -2.06 3.97 0.53 -0.89 -4.96 117.16 121.15 3bdm n TYR 224 Ca -0.16 0.01 -0.32 0.00 -1.02 0.00 0.00 57.90 56.40 3bdm n TYR 224 Cb 0.51 -2.66 0.00 0.00 -1.03 0.00 0.00 39.34 36.16 3bdm n TYR 224 CO 0.00 0.00 0.00 0.16 -1.02 0.00 0.00 176.86 176.00 3bdm s ASP 225 N 2.17 6.00 0.25 7.72 -4.77 -1.26 -4.64 116.67 122.13 3bdm s ASP 225 Ca 0.81 1.69 -0.08 0.00 -3.30 0.00 0.00 52.55 51.67 3bdm s ASP 225 Cb -0.57 -2.52 0.40 0.00 -1.09 0.00 0.00 42.92 39.15 3bdm s ASP 225 CO 0.38 -1.02 1.42 0.59 0.70 0.00 0.00 175.17 177.25 3bdm n ASN 226 N -2.12 -0.36 0.17 2.11 5.03 -1.26 -1.77 115.26 117.07 3bdm n ASN 226 Ca 0.08 1.57 -0.16 0.00 0.87 0.00 0.00 54.58 56.95 3bdm n ASN 226 Cb 0.53 -0.46 -0.08 0.00 -1.02 0.00 0.00 39.78 38.75 3bdm n ASN 226 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 3bdm h GLU 227 N 0.00 -0.72 -1.00 3.52 3.07 -1.92 0.43 114.58 117.96 3bdm h GLU 227 Ca 0.43 0.05 0.17 0.00 -0.50 0.00 0.00 59.36 59.51 3bdm h GLU 227 Cb 0.65 0.16 -0.10 0.00 -0.84 0.00 0.00 28.75 28.63 3bdm h GLU 227 CO -0.94 -0.48 0.62 -0.22 -1.40 0.00 0.00 179.01 176.59 3bdm h LYS 228 N -0.75 0.77 0.16 2.33 3.64 -1.72 -2.14 116.57 118.87 3bdm h LYS 228 Ca -0.01 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3bdm h LYS 228 Cb 0.72 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3bdm h LYS 228 CO -0.17 0.51 -0.08 1.15 -2.27 0.00 0.00 179.45 178.60 3bdm h THR 229 N 0.80 0.95 -0.92 1.00 2.02 -1.04 -3.00 112.91 112.73 3bdm h THR 229 Ca 0.55 -1.02 0.24 0.00 0.77 0.00 0.00 66.41 66.95 3bdm h THR 229 Cb 0.82 1.53 -0.16 0.00 -1.74 0.00 0.00 68.15 68.59 3bdm h THR 229 CO -0.34 0.22 0.07 0.00 0.37 0.00 0.00 175.52 175.84 3bdm h ALA 230 N -0.09 1.12 0.15 6.16 0.00 0.41 0.14 119.26 127.15 3bdm h ALA 230 Ca -0.02 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3bdm h ALA 230 Cb 0.52 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3bdm h ALA 230 CO 0.04 -0.52 -0.07 0.93 0.00 0.00 0.00 179.25 179.62 3bdm h GLU 231 N 0.07 -0.20 -0.75 0.00 5.08 -1.44 -1.66 114.58 115.68 3bdm h GLU 231 Ca 0.55 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 59.09 3bdm h GLU 231 Cb 1.11 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.36 3bdm h GLU 231 CO -0.81 -0.05 0.51 -0.07 -1.00 0.00 0.00 179.01 177.58 3bdm h LEU 232 N -0.30 0.32 -0.21 1.33 3.38 -0.66 0.21 115.31 119.38 3bdm h LEU 232 Ca -0.02 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3bdm h LEU 232 Cb 0.24 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3bdm h LEU 232 CO 0.03 0.16 0.03 0.40 0.09 0.00 0.00 178.44 179.15 3bdm h ILE 233 N 0.34 1.23 0.28 1.22 2.04 -0.54 -1.66 117.51 120.42 3bdm h ILE 233 Ca 0.37 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3bdm h ILE 233 Cb 0.96 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3bdm h ILE 233 CO -0.11 0.24 -0.13 0.50 0.00 0.00 0.00 178.15 178.65 3bdm h LYS 235 N 0.13 -0.36 -0.17 2.37 3.64 -0.05 -0.92 116.57 121.22 3bdm h LYS 235 Ca 0.06 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3bdm h LYS 235 Cb 0.34 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3bdm h LYS 235 CO 0.01 -0.22 0.25 1.49 -2.27 0.00 0.00 179.45 178.71 3bdm h GLU 236 N -0.40 0.00 0.13 1.90 4.81 -0.64 -1.29 114.58 119.09 3bdm h GLU 236 Ca -0.04 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.01 3bdm h GLU 236 Cb 0.30 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.70 3bdm h GLU 236 CO 0.06 0.00 -0.81 1.25 -0.73 0.00 0.00 179.01 178.78 3bdm h LEU 237 N 0.00 0.41 -0.64 1.64 7.12 -0.40 -2.96 115.31 120.48 3bdm h LEU 237 Ca 0.08 -0.94 0.04 0.00 0.13 0.00 0.00 57.88 57.18 3bdm h LEU 237 Cb 0.58 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.53 3bdm h LEU 237 CO -0.00 1.38 0.39 0.50 -0.13 0.00 0.00 178.44 180.58 3bdm h LYS 238 N -0.43 0.73 0.52 1.25 3.64 -0.09 -1.93 116.57 120.25 3bdm h LYS 238 Ca -0.15 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 3bdm h LYS 238 Cb 1.60 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 33.26 3bdm h LYS 238 CO 0.13 0.48 -0.25 0.93 -2.27 0.00 0.00 179.45 178.47 3bdm h GLU 239 N 0.75 -0.67 0.00 1.90 5.08 -1.46 -1.34 114.58 118.84 3bdm h GLU 239 Ca 0.27 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 3bdm h GLU 239 Cb 0.06 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3bdm h GLU 239 CO -0.12 -0.44 -0.04 0.87 -1.00 0.00 0.00 179.01 178.29 3bdm h LYS 240 N -0.71 0.00 0.01 2.33 1.57 -1.40 -1.29 116.57 117.08 3bdm h LYS 240 Ca -0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3bdm h LYS 240 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3bdm h LYS 240 CO 0.12 0.04 -0.00 0.93 -0.57 0.00 0.00 179.45 179.96 3bdm h GLU 241 N 0.00 -0.01 0.00 3.15 5.08 -0.99 -3.00 114.58 118.81 3bdm h GLU 241 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bdm h GLU 241 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3bdm h GLU 241 CO 0.00 0.69 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 3bdm h ALA 242 N 0.23 1.00 0.00 3.43 0.00 -0.92 -2.37 119.26 120.63 3bdm h ALA 242 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bdm h ALA 242 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3bdm h ALA 242 CO 0.00 0.00 0.02 0.00 0.00 0.00 0.00 179.25 179.27 3bdm h ALA 243 N 2.13 1.02 0.00 0.00 0.00 -1.09 -3.51 119.26 117.81 3bdm h ALA 243 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bdm h ALA 243 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3bdm h ALA 243 CO 0.00 -0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.62