#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b6b s GLU 36 N 0.00 1.10 -0.15 1.20 2.02 0.08 -4.93 118.70 118.02 1b6b s GLU 36 Ca 0.00 -0.48 0.02 0.00 0.02 0.00 0.00 54.97 54.53 1b6b s GLU 36 Cb 0.00 -1.06 0.01 0.00 0.10 0.00 0.00 34.13 33.17 1b6b s GLU 36 CO 0.00 0.28 -0.19 -0.06 0.02 0.00 0.00 175.26 175.31 1b6b s PHE 37 N -0.30 2.72 0.20 1.61 0.40 -1.26 -0.99 117.98 120.36 1b6b s PHE 37 Ca 0.05 -1.26 -0.12 0.00 -0.60 0.00 0.00 56.93 54.99 1b6b s PHE 37 Cb -0.05 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.63 1b6b s PHE 37 CO -0.00 -0.58 0.41 -0.98 0.70 0.00 0.00 175.22 174.76 1b6b s ARG 38 N 0.86 1.33 0.28 0.44 1.70 -1.10 -4.96 118.95 117.50 1b6b s ARG 38 Ca -0.05 -1.11 -0.29 0.00 -0.47 0.00 0.00 55.73 53.81 1b6b s ARG 38 Cb -0.15 0.45 -0.10 0.00 -0.57 0.00 0.00 34.95 34.58 1b6b s ARG 38 CO -0.02 -0.53 1.18 0.00 -1.08 0.00 0.00 175.30 174.85 1b6b s LEU 40 N -1.35 3.22 0.02 0.00 1.02 -1.26 -4.86 118.68 115.48 1b6b s LEU 40 Ca 0.47 1.79 0.04 0.00 0.02 0.00 0.00 54.13 56.45 1b6b s LEU 40 Cb -0.34 -4.52 -0.02 0.00 0.02 0.00 0.00 46.19 41.33 1b6b s LEU 40 CO 0.44 -1.61 -0.12 0.28 0.02 0.00 0.00 176.35 175.37 1b6b s THR 41 N -2.76 0.90 0.49 5.49 -1.32 -1.26 -4.81 115.64 112.38 1b6b s THR 41 Ca 0.62 -0.80 0.35 0.00 -1.21 0.00 0.00 61.69 60.65 1b6b s THR 41 Cb -0.17 -0.82 0.56 0.00 -1.51 0.00 0.00 72.50 70.57 1b6b s THR 41 CO 0.49 0.02 1.68 -0.65 -2.21 0.00 0.00 174.62 173.95 1b6b h PRO 42 N 5.21 0.08 0.38 7.08 0.11 -1.93 0.01 132.00 142.94 1b6b h PRO 42 Ca -0.35 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 1b6b h PRO 42 Cb 1.18 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1b6b h PRO 42 CO 0.45 0.05 -0.52 0.93 -0.21 0.00 0.00 178.00 178.71 1b6b h GLU 43 N 0.08 -0.90 0.00 1.05 5.08 -1.96 -1.10 114.58 116.84 1b6b h GLU 43 Ca 0.75 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 59.18 1b6b h GLU 43 Cb 2.66 0.20 0.00 0.00 0.50 0.00 0.00 28.75 32.11 1b6b h GLU 43 CO -0.19 -0.60 0.00 -0.40 -1.00 0.00 0.00 179.01 176.82 1b6b n ASP 44 N -5.52 0.09 0.17 1.42 5.68 -0.08 -1.72 116.55 116.58 1b6b n ASP 44 Ca -0.11 0.52 0.04 0.00 -0.50 0.00 0.00 54.79 54.74 1b6b n ASP 44 Cb 0.45 -0.54 0.18 0.00 -1.14 0.00 0.00 41.12 40.08 1b6b n ASP 44 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b6b h ALA 45 N 2.61 0.82 0.00 2.12 0.00 -0.51 -2.59 119.26 121.70 1b6b h ALA 45 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1b6b h ALA 45 Cb 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1b6b h ALA 45 CO 0.00 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1b6b h ALA 46 N 1.57 1.00 0.00 0.00 0.00 -0.38 -3.16 119.26 118.29 1b6b h ALA 46 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b6b h ALA 46 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1b6b h ALA 46 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1b6b n GLY 47 N -0.41 2.07 1.04 0.00 0.00 -0.98 -4.23 105.19 102.69 1b6b n GLY 47 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 1b6b n GLY 47 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1b6b n VAL 48 N 1.60 1.08 0.32 1.61 0.24 -1.20 -3.82 118.33 118.16 1b6b n VAL 48 Ca 0.00 -0.55 0.15 0.00 -2.04 0.00 0.00 64.34 61.90 1b6b n VAL 48 Cb 0.39 -0.41 0.56 0.00 -1.47 0.00 0.00 33.84 32.92 1b6b n VAL 48 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1b6b h PHE 49 N 1.58 0.00 -2.71 6.34 0.05 -1.92 -3.43 116.94 116.85 1b6b h PHE 49 Ca 0.00 0.00 -0.66 0.00 3.82 0.00 0.00 57.97 61.13 1b6b h PHE 49 Cb 1.08 0.00 -0.07 0.00 2.00 0.00 0.00 35.95 38.96 1b6b h PHE 49 CO 0.43 0.00 -0.46 -1.83 -0.18 0.00 0.00 178.31 176.28 1b6b s GLU 50 N -3.50 3.48 -0.14 1.51 -1.05 -1.25 -5.09 118.70 112.67 1b6b s GLU 50 Ca 0.03 -0.11 -0.20 0.00 -0.15 0.00 0.00 54.97 54.54 1b6b s GLU 50 Cb 0.09 -3.17 -0.04 0.00 -0.44 0.00 0.00 34.13 30.57 1b6b s GLU 50 CO 0.53 0.75 0.57 0.42 0.95 0.00 0.00 175.26 178.47 1b6b s ILE 51 N -1.09 5.11 -0.07 1.83 1.01 -1.26 -5.07 121.20 121.65 1b6b s ILE 51 Ca 0.18 1.12 0.04 0.00 0.00 0.00 0.00 60.65 61.99 1b6b s ILE 51 Cb -0.13 -3.90 -0.00 0.00 0.01 0.00 0.00 42.46 38.44 1b6b s ILE 51 CO 0.08 0.24 -0.20 -1.61 0.00 0.00 0.00 174.94 173.44 1b6b s GLU 52 N 1.11 2.38 0.06 2.79 2.02 -1.26 -3.82 118.70 121.98 1b6b s GLU 52 Ca 0.29 -0.73 -0.28 0.00 0.02 0.00 0.00 54.97 54.27 1b6b s GLU 52 Cb -0.16 -1.92 -0.05 0.00 0.10 0.00 0.00 34.13 32.10 1b6b s GLU 52 CO 0.12 0.21 0.88 -0.98 0.02 0.00 0.00 175.26 175.51 1b6b s ARG 53 N 0.22 4.59 -1.13 1.61 1.04 0.59 -4.82 118.95 121.04 1b6b s ARG 53 Ca -0.11 1.28 -0.22 0.00 -1.04 0.00 0.00 55.73 55.63 1b6b s ARG 53 Cb -0.15 -3.39 -0.04 0.00 -2.04 0.00 0.00 34.95 29.33 1b6b s ARG 53 CO 0.05 0.18 1.85 -1.21 -0.04 0.00 0.00 175.30 176.14 1b6b s GLU 54 N 0.20 2.90 0.29 3.89 0.41 -1.26 -0.63 118.70 124.49 1b6b s GLU 54 Ca 0.44 -1.14 0.03 0.00 -0.41 0.00 0.00 54.97 53.90 1b6b s GLU 54 Cb -0.22 -5.27 0.74 0.00 -1.78 0.00 0.00 34.13 27.60 1b6b s GLU 54 CO 0.26 -3.36 1.42 0.00 -0.49 0.00 0.00 175.26 173.09 1b6b n ALA 55 N 12.63 0.51 -1.78 5.21 0.00 -1.06 -4.90 120.51 131.11 1b6b n ALA 55 Ca 0.44 0.97 -0.04 0.00 0.00 0.00 0.00 53.44 54.81 1b6b n ALA 55 Cb 0.47 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 19.16 1b6b n ALA 55 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1b6b n PHE 56 N -5.30 0.00 0.00 0.00 -0.00 -1.09 -5.06 117.46 106.01 1b6b n PHE 56 Ca 0.23 -0.25 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 1b6b n PHE 56 Cb 0.74 0.37 0.00 0.00 -0.00 0.00 0.00 39.48 40.59 1b6b n PHE 56 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1b6b n ASP 68 N 0.00 0.00 0.00 5.98 -0.08 -1.26 -3.93 116.55 117.27 1b6b n ASP 68 Ca -0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 1b6b n ASP 68 Cb 0.49 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.95 1b6b n ASP 68 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1b6b n GLU 69 N 0.00 0.00 0.01 -0.67 -0.58 -1.26 -4.70 120.64 113.44 1b6b n GLU 69 Ca 0.00 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.85 1b6b n GLU 69 Cb 0.00 -1.83 -0.07 0.00 -0.57 0.00 0.00 31.44 28.97 1b6b n GLU 69 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1b6b n VAL 70 N -1.85 0.07 0.17 2.62 3.14 -1.26 -4.19 118.33 117.03 1b6b n VAL 70 Ca 0.00 -0.24 0.18 0.00 -2.96 0.00 0.00 64.34 61.32 1b6b n VAL 70 Cb 0.00 0.39 0.79 0.00 -1.06 0.00 0.00 33.84 33.97 1b6b n VAL 70 CO 0.00 0.00 0.00 0.06 -6.46 0.00 0.00 176.83 170.43 1b6b h GLN 71 N 0.00 0.00 -0.97 1.45 -0.00 -2.00 -0.10 115.11 113.49 1b6b h GLN 71 Ca 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 58.65 58.91 1b6b h GLN 71 Cb 0.73 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.15 1b6b h GLN 71 CO 0.00 0.00 0.67 1.25 -0.00 0.00 0.00 178.83 180.75 1b6b h HIS 72 N 0.00 0.28 0.00 0.06 2.76 -1.98 0.13 115.15 116.40 1b6b h HIS 72 Ca 0.12 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 1b6b h HIS 72 Cb 0.62 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 1b6b h HIS 72 CO 0.00 0.05 -0.28 0.74 -1.30 0.00 0.00 177.93 177.14 1b6b h PHE 73 N 0.19 0.00 0.00 5.26 0.04 -1.32 -2.82 116.94 118.30 1b6b h PHE 73 Ca 0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.27 1b6b h PHE 73 Cb 1.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.76 1b6b h PHE 73 CO -0.00 0.28 0.00 1.28 -0.60 0.00 0.00 178.31 179.27 1b6b n LEU 74 N -3.29 0.00 -0.10 1.54 4.77 0.45 0.20 117.00 120.56 1b6b n LEU 74 Ca 0.01 0.34 -0.18 0.00 -0.03 0.00 0.00 56.01 56.15 1b6b n LEU 74 Cb 0.54 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1b6b n LEU 74 CO 0.36 -0.17 -1.02 0.41 -1.33 0.00 0.00 177.39 175.64 1b6b n THR 75 N -1.34 1.39 -0.05 -5.08 -1.04 -1.10 -4.03 114.28 103.03 1b6b n THR 75 Ca 0.06 -0.12 -0.11 0.00 -2.04 0.00 0.00 64.05 61.84 1b6b n THR 75 Cb 0.14 -2.01 -0.05 0.00 -1.82 0.00 0.00 70.33 66.58 1b6b n THR 75 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1b6b h LEU 76 N -0.87 0.26 -5.67 -4.42 4.07 -1.38 -3.40 115.31 103.90 1b6b h LEU 76 Ca -0.35 -0.26 -0.41 0.00 0.08 0.00 0.00 57.88 56.93 1b6b h LEU 76 Cb 1.25 -0.07 -0.31 0.00 1.08 0.00 0.00 40.66 42.61 1b6b h LEU 76 CO -0.21 0.46 -0.94 0.00 -1.08 0.00 0.00 178.44 176.67 1b6b h PRO 78 N 3.26 0.00 0.00 0.00 0.13 -1.57 -1.45 132.00 132.37 1b6b h PRO 78 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1b6b h PRO 78 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1b6b h PRO 78 CO 0.39 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.55 1b6b n GLU 79 N -2.39 0.15 -0.97 0.86 4.71 -1.26 -2.45 120.64 119.29 1b6b n GLU 79 Ca -0.01 0.39 -0.01 0.00 -0.01 0.00 0.00 57.16 57.52 1b6b n GLU 79 Cb 0.07 -1.79 0.35 0.00 -1.01 0.00 0.00 31.44 29.05 1b6b n GLU 79 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1b6b n LEU 80 N -2.08 5.95 -4.33 -4.62 4.77 -0.55 -4.84 117.00 111.31 1b6b n LEU 80 Ca 0.02 -3.11 -0.18 0.00 -0.03 0.00 0.00 56.01 52.71 1b6b n LEU 80 Cb 0.21 -0.72 -0.10 0.00 -2.33 0.00 0.00 43.42 40.48 1b6b n LEU 80 CO 0.18 0.74 -0.44 -0.94 -1.33 0.00 0.00 177.39 175.60 1b6b s SER 81 N -0.96 2.49 -0.19 -1.43 1.04 -1.03 -0.58 113.70 113.05 1b6b s SER 81 Ca 0.55 -0.99 -0.10 0.00 0.48 0.00 0.00 55.95 55.90 1b6b s SER 81 Cb 0.43 -0.12 0.07 0.00 0.10 0.00 0.00 66.02 66.49 1b6b s SER 81 CO 0.14 -0.16 0.44 -0.22 0.98 0.00 0.00 173.24 174.42 1b6b s LEU 82 N -3.17 -0.29 0.09 2.42 1.98 -0.61 -4.25 118.68 114.86 1b6b s LEU 82 Ca 0.20 0.98 0.10 0.00 -2.89 0.00 0.00 54.13 52.52 1b6b s LEU 82 Cb -0.01 1.47 -0.03 0.00 0.66 0.00 0.00 46.19 48.27 1b6b s LEU 82 CO 0.06 -0.20 -0.25 -0.83 -1.89 0.00 0.00 176.35 173.23 1b6b s GLY 83 N 1.64 1.44 -0.31 7.98 0.00 -0.09 -0.97 107.32 117.01 1b6b s GLY 83 Ca -0.08 -1.34 -0.10 0.00 0.00 0.00 0.00 44.72 43.20 1b6b s GLY 83 CO -0.14 -1.29 0.15 0.86 0.00 0.00 0.00 173.10 172.68 1b6b s TRP 84 N -0.97 3.18 -0.31 1.90 -0.11 0.14 -2.71 118.94 120.05 1b6b s TRP 84 Ca 0.12 -0.58 -0.04 0.00 1.22 0.00 0.00 56.10 56.82 1b6b s TRP 84 Cb -0.10 -2.35 0.04 0.00 -1.50 0.00 0.00 33.47 29.56 1b6b s TRP 84 CO 0.04 -0.46 0.04 -0.06 -4.62 0.00 0.00 176.95 171.90 1b6b s PHE 85 N 1.61 3.25 -1.02 5.86 0.08 -0.16 -0.26 117.98 127.34 1b6b s PHE 85 Ca 0.05 -1.65 -0.21 0.00 0.12 0.00 0.00 56.93 55.24 1b6b s PHE 85 Cb -0.17 -2.18 0.08 0.00 -0.57 0.00 0.00 43.02 40.18 1b6b s PHE 85 CO 0.06 -0.76 1.38 0.08 -0.10 0.00 0.00 175.22 175.88 1b6b s VAL 86 N 1.33 4.17 -0.83 -0.44 1.01 0.20 -0.74 120.40 125.09 1b6b s VAL 86 Ca -0.03 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.83 1b6b s VAL 86 Cb -0.19 -4.99 -0.00 0.00 0.00 0.00 0.00 36.38 31.19 1b6b s VAL 86 CO 0.01 -1.82 0.67 -0.62 0.00 0.00 0.00 175.10 173.33 1b6b n GLU 87 N 8.17 -1.41 0.00 2.72 4.71 -1.26 -2.56 120.64 131.01 1b6b n GLU 87 Ca 0.32 1.04 0.00 0.00 -0.01 0.00 0.00 57.16 58.51 1b6b n GLU 87 Cb 0.50 -4.07 0.00 0.00 -1.01 0.00 0.00 31.44 26.86 1b6b n GLU 87 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1b6b n GLY 88 N -1.70 2.57 3.68 0.62 0.00 -1.26 -5.01 105.19 104.08 1b6b n GLY 88 Ca -0.15 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1b6b n GLY 88 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b6b s ARG 89 N 0.00 4.26 -0.03 1.61 3.52 -1.06 -4.99 118.95 122.26 1b6b s ARG 89 Ca 0.00 0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 55.80 1b6b s ARG 89 Cb 0.00 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1b6b s ARG 89 CO 0.00 -0.06 1.30 -1.17 -0.81 0.00 0.00 175.30 174.55 1b6b s LEU 90 N 1.34 4.30 0.00 -0.88 2.96 -1.26 0.60 118.68 125.73 1b6b s LEU 90 Ca 0.27 1.96 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 1b6b s LEU 90 Cb -0.16 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1b6b s LEU 90 CO 0.11 -0.65 0.00 1.33 -1.32 0.00 0.00 176.35 175.82 1b6b n VAL 91 N 4.65 0.00 -3.55 1.68 0.24 0.64 -4.89 118.33 117.10 1b6b n VAL 91 Ca 0.12 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.34 62.06 1b6b n VAL 91 Cb 0.45 0.77 -0.03 0.00 -1.47 0.00 0.00 33.84 33.56 1b6b n VAL 91 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b6b s ALA 92 N -1.44 -1.90 0.04 2.33 0.00 -1.19 -0.31 121.76 119.28 1b6b s ALA 92 Ca 0.00 1.34 -0.28 0.00 0.00 0.00 0.00 51.96 53.02 1b6b s ALA 92 Cb 0.00 -0.15 0.09 0.00 0.00 0.00 0.00 23.12 23.06 1b6b s ALA 92 CO 0.00 -0.51 0.87 -0.59 0.00 0.00 0.00 175.76 175.54 1b6b s PHE 93 N -2.14 -0.33 -0.02 0.00 -0.12 -0.44 0.26 117.98 115.19 1b6b s PHE 93 Ca 0.02 0.16 0.03 0.00 -0.05 0.00 0.00 56.93 57.09 1b6b s PHE 93 Cb -0.01 0.56 0.00 0.00 -0.63 0.00 0.00 43.02 42.94 1b6b s PHE 93 CO -0.04 -0.62 -0.09 0.42 -0.05 0.00 0.00 175.22 174.84 1b6b s ILE 94 N -3.20 0.77 -0.12 -4.49 1.01 -0.15 -1.27 121.20 113.75 1b6b s ILE 94 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1b6b s ILE 94 Cb -0.01 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 41.81 1b6b s ILE 94 CO -0.07 0.24 -0.11 -0.63 0.00 0.00 0.00 174.94 174.36 1b6b s ILE 95 N 0.10 1.26 0.36 2.92 1.01 -0.01 -1.57 121.20 125.27 1b6b s ILE 95 Ca -0.02 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.23 1b6b s ILE 95 Cb -0.07 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1b6b s ILE 95 CO 0.00 0.41 0.11 -0.83 0.00 0.00 0.00 174.94 174.63 1b6b s GLY 96 N 1.56 2.30 0.01 6.18 0.00 0.25 -0.42 107.32 117.20 1b6b s GLY 96 Ca 0.04 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.16 1b6b s GLY 96 CO -0.08 -1.76 0.01 -1.14 0.00 0.00 0.00 173.10 170.12 1b6b n SER 97 N -1.01 -0.02 -4.79 1.64 3.41 -0.59 -4.57 113.62 107.69 1b6b n SER 97 Ca -0.03 -1.05 -0.33 0.00 -0.26 0.00 0.00 58.87 57.20 1b6b n SER 97 Cb 0.65 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.59 1b6b n SER 97 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1b6b s LEU 98 N 0.00 3.92 0.01 1.04 1.43 -1.26 -0.38 118.68 123.44 1b6b s LEU 98 Ca 0.01 0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.30 1b6b s LEU 98 Cb 0.00 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 1b6b s LEU 98 CO 0.01 0.26 -0.14 0.86 0.23 0.00 0.00 176.35 177.57 1b6b s TRP 99 N -1.22 1.25 -0.21 0.29 -0.00 0.36 -0.82 118.94 118.59 1b6b s TRP 99 Ca 0.24 -0.27 0.12 0.00 -0.00 0.00 0.00 56.10 56.19 1b6b s TRP 99 Cb -0.12 -0.79 -0.17 0.00 -0.00 0.00 0.00 33.47 32.40 1b6b s TRP 99 CO 0.15 -0.00 0.35 -0.40 -0.00 0.00 0.00 176.95 177.05 1b6b n ASP 100 N 2.48 1.62 -4.89 5.86 5.68 -1.26 -2.49 116.55 123.55 1b6b n ASP 100 Ca -0.15 -0.28 -0.30 0.00 -0.50 0.00 0.00 54.79 53.56 1b6b n ASP 100 Cb 0.55 1.36 -0.04 0.00 -1.14 0.00 0.00 41.12 41.85 1b6b n ASP 100 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1b6b s GLU 101 N -2.58 3.73 0.46 0.11 2.02 -1.26 -4.84 118.70 116.34 1b6b s GLU 101 Ca -0.01 0.22 0.15 0.00 0.02 0.00 0.00 54.97 55.35 1b6b s GLU 101 Cb 0.08 -2.58 1.11 0.00 0.10 0.00 0.00 34.13 32.84 1b6b s GLU 101 CO 0.50 0.18 2.03 1.49 0.02 0.00 0.00 175.26 179.48 1b6b h GLU 102 N 1.86 0.28 -5.54 1.61 4.57 -2.06 -3.42 114.58 111.88 1b6b h GLU 102 Ca -0.47 -0.02 -0.44 0.00 -1.18 0.00 0.00 59.36 57.25 1b6b h GLU 102 Cb 1.18 -0.06 -0.19 0.00 -0.16 0.00 0.00 28.75 29.52 1b6b h GLU 102 CO 0.66 0.18 -0.77 1.03 -1.18 0.00 0.00 179.01 178.94 1b6b s ARG 103 N -5.28 1.03 0.39 1.92 1.81 -1.26 -5.14 118.95 112.41 1b6b s ARG 103 Ca -0.07 -1.21 -0.21 0.00 -1.72 0.00 0.00 55.73 52.53 1b6b s ARG 103 Cb 0.19 -0.99 -0.10 0.00 -0.45 0.00 0.00 34.95 33.60 1b6b s ARG 103 CO 0.73 0.20 0.91 -0.51 -0.68 0.00 0.00 175.30 175.94 1b6b s LEU 104 N -2.32 4.04 0.25 2.53 1.43 -1.26 -5.04 118.68 118.31 1b6b s LEU 104 Ca 0.08 1.64 0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1b6b s LEU 104 Cb -0.06 -4.34 -0.05 0.00 0.03 0.00 0.00 46.19 41.78 1b6b s LEU 104 CO 0.03 -0.27 0.12 -0.89 0.23 0.00 0.00 176.35 175.57 1b6b s THR 105 N -2.02 0.34 0.95 5.49 2.01 -1.26 -4.31 115.64 116.83 1b6b s THR 105 Ca 0.58 -2.00 -0.10 0.00 0.31 0.00 0.00 61.69 60.47 1b6b s THR 105 Cb -0.11 -2.57 0.16 0.00 0.01 0.00 0.00 72.50 69.98 1b6b s THR 105 CO 0.16 0.00 1.09 0.00 -0.69 0.00 0.00 174.62 175.18 1b6b n GLN 106 N -0.42 -0.65 0.00 4.92 1.13 -1.26 -2.28 117.38 118.81 1b6b n GLN 106 Ca 0.01 -0.13 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 1b6b n GLN 106 Cb 0.66 -2.33 0.00 0.00 0.11 0.00 0.00 30.24 28.68 1b6b n GLN 106 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1b6b n GLU 107 N -4.19 0.00 0.00 -1.09 2.13 -1.26 -4.58 120.64 111.65 1b6b n GLU 107 Ca 0.11 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.98 1b6b n GLU 107 Cb 0.52 -0.25 0.27 0.00 0.27 0.00 0.00 31.44 32.26 1b6b n GLU 107 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1b6b n SER 108 N 1.26 0.00 -0.01 4.31 7.64 -0.97 0.41 113.62 126.26 1b6b n SER 108 Ca 0.00 -0.01 0.13 0.00 1.01 0.00 0.00 58.87 60.00 1b6b n SER 108 Cb 0.00 -0.19 0.42 0.00 -1.01 0.00 0.00 64.21 63.43 1b6b n SER 108 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1b6b n LEU 109 N -1.19 0.30 -0.10 -3.43 4.77 -1.26 -3.82 117.00 112.27 1b6b n LEU 109 Ca 0.06 0.20 0.09 0.00 -0.03 0.00 0.00 56.01 56.33 1b6b n LEU 109 Cb 0.07 -0.35 0.13 0.00 -2.33 0.00 0.00 43.42 40.94 1b6b n LEU 109 CO 0.07 0.07 0.54 0.00 -1.33 0.00 0.00 177.39 176.75 1b6b n ALA 110 N -1.46 2.24 -2.72 -1.18 0.00 0.17 -5.01 120.51 112.54 1b6b n ALA 110 Ca 0.07 -2.48 -0.10 0.00 0.00 0.00 0.00 53.44 50.93 1b6b n ALA 110 Cb 0.33 -0.39 -0.07 0.00 0.00 0.00 0.00 19.45 19.33 1b6b n ALA 110 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1b6b s LEU 111 N -2.62 0.90 -0.05 0.00 0.05 -1.22 -5.10 118.68 110.64 1b6b s LEU 111 Ca 0.29 -0.95 0.06 0.00 0.05 0.00 0.00 54.13 53.58 1b6b s LEU 111 Cb 0.25 1.16 -0.01 0.00 -2.05 0.00 0.00 46.19 45.55 1b6b s LEU 111 CO 0.03 -0.92 -0.24 -2.28 -0.55 0.00 0.00 176.35 172.38 1b6b s HIS 112 N -4.00 2.33 -0.41 3.48 2.46 -1.26 -4.61 115.29 113.27 1b6b s HIS 112 Ca 0.21 -0.64 0.03 0.00 0.47 0.00 0.00 55.06 55.13 1b6b s HIS 112 Cb 0.03 -1.53 0.12 0.00 -0.13 0.00 0.00 32.58 31.07 1b6b s HIS 112 CO 0.03 -0.17 0.16 1.03 -2.47 0.00 0.00 174.74 173.32 1b6b s ARG 113 N -0.24 1.50 0.45 2.88 1.81 -0.01 -4.94 118.95 120.41 1b6b s ARG 113 Ca -0.01 -2.03 0.21 0.00 -1.72 0.00 0.00 55.73 52.18 1b6b s ARG 113 Cb -0.13 -2.91 1.19 0.00 -0.45 0.00 0.00 34.95 32.65 1b6b s ARG 113 CO 0.03 -1.04 1.89 -1.35 -0.68 0.00 0.00 175.30 174.14 1b6b h PRO 114 N 7.16 0.28 0.00 3.54 0.11 -1.97 0.63 132.00 141.75 1b6b h PRO 114 Ca -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1b6b h PRO 114 Cb 0.96 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1b6b h PRO 114 CO 0.56 0.18 0.00 0.54 -0.21 0.00 0.00 178.00 179.07 1b6b n ARG 115 N -4.44 0.74 -2.70 1.05 1.74 -1.26 -4.85 116.66 106.93 1b6b n ARG 115 Ca 0.17 0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 57.01 1b6b n ARG 115 Cb 0.72 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.68 1b6b n ARG 115 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1b6b s GLY 116 N -2.16 1.58 -0.09 -0.13 0.00 0.21 -4.86 107.32 101.86 1b6b s GLY 116 Ca 0.38 -0.86 0.13 0.00 0.00 0.00 0.00 44.72 44.37 1b6b s GLY 116 CO 0.35 -0.64 1.09 1.42 0.00 0.00 0.00 173.10 175.33 1b6b n HIS 117 N -2.31 0.00 -4.55 1.90 8.25 -1.12 -4.79 115.22 112.60 1b6b n HIS 117 Ca 0.03 -0.70 -0.31 0.00 -0.26 0.00 0.00 57.72 56.47 1b6b n HIS 117 Cb 0.57 -0.12 -0.17 0.00 1.12 0.00 0.00 29.99 31.40 1b6b n HIS 117 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1b6b s SER 118 N -2.26 2.87 -0.54 0.41 0.01 -1.04 0.11 113.70 113.27 1b6b s SER 118 Ca 0.22 -0.54 -0.27 0.00 1.31 0.00 0.00 55.95 56.66 1b6b s SER 118 Cb 0.19 -1.32 0.03 0.00 0.21 0.00 0.00 66.02 65.14 1b6b s SER 118 CO 0.02 0.05 1.08 0.00 0.41 0.00 0.00 173.24 174.80 1b6b s ALA 119 N 0.92 3.10 -0.56 1.44 0.00 0.44 -0.49 121.76 126.60 1b6b s ALA 119 Ca -0.06 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 50.83 1b6b s ALA 119 Cb -0.15 -3.88 0.05 0.00 0.00 0.00 0.00 23.12 19.14 1b6b s ALA 119 CO -0.03 -2.43 0.86 -1.58 0.00 0.00 0.00 175.76 172.58 1b6b s HIS 120 N 4.45 2.84 -0.29 0.00 5.04 0.49 -0.86 115.29 126.96 1b6b s HIS 120 Ca 0.40 -0.28 -0.29 0.00 -1.54 0.00 0.00 55.06 53.35 1b6b s HIS 120 Cb -0.09 -3.98 0.00 0.00 0.04 0.00 0.00 32.58 28.56 1b6b s HIS 120 CO 0.25 -1.33 1.25 -0.51 -2.34 0.00 0.00 174.74 172.07 1b6b s LEU 121 N 3.59 3.92 -0.08 8.88 1.43 -0.70 -1.54 118.68 134.18 1b6b s LEU 121 Ca 0.24 1.21 -0.04 0.00 -1.03 0.00 0.00 54.13 54.52 1b6b s LEU 121 Cb -0.15 -3.54 -0.27 0.00 0.03 0.00 0.00 46.19 42.26 1b6b s LEU 121 CO 0.15 -1.01 0.52 0.45 0.23 0.00 0.00 176.35 176.69 1b6b h HIS 122 N 8.95 0.43 -3.76 0.29 3.86 -1.08 -3.45 115.15 120.41 1b6b h HIS 122 Ca -0.25 -0.32 -0.23 0.00 -1.16 0.00 0.00 60.37 58.41 1b6b h HIS 122 Cb 1.09 -0.02 -0.27 0.00 1.06 0.00 0.00 27.41 29.27 1b6b h HIS 122 CO 0.87 1.59 -0.72 0.00 0.86 0.00 0.00 177.93 180.53 1b6b s ALA 123 N -2.58 0.04 -0.42 2.45 0.00 -0.99 -4.98 121.76 115.29 1b6b s ALA 123 Ca -0.17 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.76 1b6b s ALA 123 Cb 0.07 0.01 0.16 0.00 0.00 0.00 0.00 23.12 23.36 1b6b s ALA 123 CO 0.80 -0.01 0.33 -1.17 0.00 0.00 0.00 175.76 175.71 1b6b s LEU 124 N -0.14 1.56 0.28 0.00 0.20 -1.25 -0.83 118.68 118.49 1b6b s LEU 124 Ca -0.01 -2.96 0.08 0.00 0.69 0.00 0.00 54.13 51.92 1b6b s LEU 124 Cb -0.01 -0.51 -0.04 0.00 -0.43 0.00 0.00 46.19 45.20 1b6b s LEU 124 CO -0.00 -0.19 0.19 0.00 -0.29 0.00 0.00 176.35 176.06 1b6b s ALA 125 N 0.14 3.58 0.02 5.97 0.00 -0.40 -2.58 121.76 128.51 1b6b s ALA 125 Ca 0.30 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1b6b s ALA 125 Cb -0.02 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 1b6b s ALA 125 CO -0.16 0.18 -0.04 0.08 0.00 0.00 0.00 175.76 175.83 1b6b s VAL 126 N -2.22 0.19 0.49 0.00 1.01 0.20 -1.33 120.40 118.75 1b6b s VAL 126 Ca 0.35 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 1b6b s VAL 126 Cb -0.07 -0.31 -0.06 0.00 0.00 0.00 0.00 36.38 35.93 1b6b s VAL 126 CO 0.24 -0.44 1.28 -2.28 0.00 0.00 0.00 175.10 173.91 1b6b s HIS 127 N -1.33 2.57 0.21 5.22 2.46 0.58 -0.30 115.29 124.70 1b6b s HIS 127 Ca -0.14 1.43 -0.11 0.00 0.47 0.00 0.00 55.06 56.72 1b6b s HIS 127 Cb -0.09 -3.63 0.28 0.00 -0.13 0.00 0.00 32.58 29.01 1b6b s HIS 127 CO -0.01 -2.29 1.67 0.00 -2.47 0.00 0.00 174.74 171.64 1b6b h ARG 128 N 1.86 0.13 -1.18 2.88 3.08 -1.91 -2.13 114.38 117.11 1b6b h ARG 128 Ca -0.50 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.43 1b6b h ARG 128 Cb 1.27 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.24 1b6b h ARG 128 CO 0.59 0.08 0.14 -1.13 -1.07 0.00 0.00 179.97 178.58 1b6b n SER 129 N -5.26 3.73 0.00 7.04 3.41 -1.26 -3.35 113.62 117.93 1b6b n SER 129 Ca 0.09 -2.39 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 1b6b n SER 129 Cb 0.34 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1b6b n SER 129 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1b6b n PHE 130 N 0.37 0.00 0.00 7.33 3.72 -0.80 -5.05 117.46 123.03 1b6b n PHE 130 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1b6b n PHE 130 Cb 0.68 0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.26 1b6b n PHE 130 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1b6b n ARG 131 N 0.00 0.00 -0.21 -1.08 1.74 -1.21 -2.77 116.66 113.13 1b6b n ARG 131 Ca 0.00 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1b6b n ARG 131 Cb 0.44 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 31.32 1b6b n ARG 131 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1b6b n GLN 132 N -0.28 0.63 -0.06 5.56 6.02 -1.26 -3.91 117.38 124.07 1b6b n GLN 132 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1b6b n GLN 132 Cb 0.00 -1.19 0.19 0.00 1.02 0.00 0.00 30.24 30.26 1b6b n GLN 132 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1b6b n GLN 133 N 1.35 2.29 -1.30 -1.09 6.02 -1.11 -4.95 117.38 118.59 1b6b n GLN 133 Ca 0.00 -1.90 -0.08 0.00 -0.01 0.00 0.00 57.00 55.00 1b6b n GLN 133 Cb 0.31 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 1b6b n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b6b n GLY 134 N 1.37 0.95 0.21 1.08 0.00 -1.25 -4.90 105.19 102.65 1b6b n GLY 134 Ca 0.16 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 1b6b n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b6b h LYS 135 N 0.00 0.40 -0.10 1.61 1.57 -1.84 -3.12 116.57 115.09 1b6b h LYS 135 Ca -0.17 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1b6b h LYS 135 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1b6b h LYS 135 CO 0.25 0.75 0.07 0.78 -0.57 0.00 0.00 179.45 180.72 1b6b h GLY 136 N 1.15 0.15 0.91 3.86 0.00 -1.90 0.34 103.07 107.58 1b6b h GLY 136 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1b6b h GLY 136 CO 0.07 0.06 0.10 1.76 0.00 0.00 0.00 176.54 178.53 1b6b h SER 137 N 0.12 0.32 -0.52 0.19 0.02 -1.98 0.20 113.55 111.90 1b6b h SER 137 Ca 0.04 -0.15 0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1b6b h SER 137 Cb 0.01 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 1b6b h SER 137 CO -0.01 0.38 0.24 0.58 -1.14 0.00 0.00 176.83 176.88 1b6b h VAL 138 N 0.24 0.90 -0.68 2.27 2.07 -1.46 -1.40 116.25 118.18 1b6b h VAL 138 Ca 0.08 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1b6b h VAL 138 Cb 0.15 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1b6b h VAL 138 CO -0.01 0.08 0.14 0.25 0.02 0.00 0.00 177.57 178.06 1b6b h LEU 139 N 0.46 1.05 -0.09 2.57 5.85 -0.59 -2.16 115.31 122.40 1b6b h LEU 139 Ca 0.24 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1b6b h LEU 139 Cb 0.19 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1b6b h LEU 139 CO -0.20 1.03 0.03 0.25 -0.34 0.00 0.00 178.44 179.21 1b6b h LEU 140 N 1.04 0.13 0.08 2.25 5.85 -0.36 0.13 115.31 124.43 1b6b h LEU 140 Ca 0.21 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1b6b h LEU 140 Cb 0.40 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1b6b h LEU 140 CO 0.01 0.31 -0.31 -0.50 -0.34 0.00 0.00 178.44 177.61 1b6b h TRP 141 N -0.05 -0.83 -0.88 1.25 -0.00 -1.21 -0.53 115.95 113.70 1b6b h TRP 141 Ca 0.03 0.02 0.08 0.00 -0.00 0.00 0.00 58.89 59.02 1b6b h TRP 141 Cb 0.22 0.36 -0.07 0.00 -0.00 0.00 0.00 29.16 29.67 1b6b h TRP 141 CO -0.00 -0.41 0.54 0.00 -0.00 0.00 0.00 178.44 178.57 1b6b h ARG 142 N -0.50 0.92 -0.75 0.49 3.08 -1.27 -1.23 114.38 115.12 1b6b h ARG 142 Ca 0.04 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1b6b h ARG 142 Cb 0.55 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1b6b h ARG 142 CO -0.20 0.61 0.24 -0.92 -1.07 0.00 0.00 179.97 178.63 1b6b h TYR 143 N 0.95 1.20 -0.49 3.04 3.20 -0.14 0.15 116.97 124.88 1b6b h TYR 143 Ca 0.40 -0.12 -0.11 0.00 3.14 0.00 0.00 58.73 62.04 1b6b h TYR 143 Cb 0.26 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1b6b h TYR 143 CO -0.03 0.94 -0.14 -0.07 -1.64 0.00 0.00 178.16 177.21 1b6b h LEU 144 N 1.11 0.97 -0.94 2.82 3.38 -0.54 -1.01 115.31 121.11 1b6b h LEU 144 Ca 0.24 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1b6b h LEU 144 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1b6b h LEU 144 CO -0.01 1.12 -0.05 -0.74 0.09 0.00 0.00 178.44 178.85 1b6b h HIS 145 N 0.81 0.77 0.62 1.13 2.76 -0.83 -2.00 115.15 118.42 1b6b h HIS 145 Ca 0.12 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1b6b h HIS 145 Cb 0.71 -0.21 0.01 0.00 1.55 0.00 0.00 27.41 29.47 1b6b h HIS 145 CO 0.05 0.75 -0.30 1.25 -1.30 0.00 0.00 177.93 178.38 1b6b h HIS 146 N 0.66 -0.78 0.00 5.26 -0.00 -0.18 -3.02 115.15 117.09 1b6b h HIS 146 Ca 0.13 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 1b6b h HIS 146 Cb 0.49 0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 1b6b h HIS 146 CO 0.02 -0.45 0.00 -0.39 -0.00 0.00 0.00 177.93 177.11 1b6b h VAL 147 N -1.15 0.00 0.00 5.26 -1.51 -1.28 -2.34 116.25 115.24 1b6b h VAL 147 Ca -0.09 -0.24 -0.12 0.00 -1.23 0.00 0.00 66.70 65.02 1b6b h VAL 147 Cb 0.68 1.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.82 1b6b h VAL 147 CO 0.14 0.00 -0.59 1.23 -1.23 0.00 0.00 177.57 177.12 1b6b h GLY 148 N 1.68 0.00 2.00 5.19 0.00 -1.28 -3.08 103.07 107.58 1b6b h GLY 148 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1b6b h GLY 148 CO 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.41 1b6b h ALA 149 N 1.41 1.16 -2.30 3.60 0.00 -1.29 -3.42 119.26 118.41 1b6b h ALA 149 Ca -0.01 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.23 1b6b h ALA 149 Cb 1.09 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1b6b h ALA 149 CO 0.08 0.16 0.51 -0.65 0.00 0.00 0.00 179.25 179.35 1b6b s GLN 150 N -3.98 4.46 0.00 0.00 -0.21 -1.16 -4.95 119.66 113.82 1b6b s GLN 150 Ca -0.02 1.40 0.06 0.00 0.02 0.00 0.00 55.36 56.82 1b6b s GLN 150 Cb 0.12 -3.52 0.25 0.00 1.00 0.00 0.00 33.01 30.86 1b6b s GLN 150 CO 0.58 -0.24 1.12 -0.35 -2.12 0.00 0.00 175.29 174.28 1b6b n PRO 151 N 4.70 0.03 -0.00 2.91 -0.04 -1.26 -2.66 135.00 138.67 1b6b n PRO 151 Ca 0.08 0.34 -0.01 0.00 -0.04 0.00 0.00 63.50 63.88 1b6b n PRO 151 Cb 0.49 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.34 1b6b n PRO 151 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b6b n ALA 152 N -1.42 1.97 -2.65 0.55 0.00 -1.26 -4.83 120.51 112.87 1b6b n ALA 152 Ca 0.02 -0.72 -0.43 0.00 0.00 0.00 0.00 53.44 52.31 1b6b n ALA 152 Cb 0.06 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 1b6b n ALA 152 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1b6b s VAL 153 N -2.92 4.47 -0.16 0.00 1.01 -1.09 -4.21 120.40 117.51 1b6b s VAL 153 Ca -0.05 0.23 0.22 0.00 0.00 0.00 0.00 61.98 62.38 1b6b s VAL 153 Cb 0.09 -4.49 -0.12 0.00 0.00 0.00 0.00 36.38 31.87 1b6b s VAL 153 CO 0.83 -1.03 0.85 -2.11 0.00 0.00 0.00 175.10 173.64 1b6b n ARG 154 N 7.23 0.62 -3.49 2.72 0.00 0.12 -4.81 116.66 119.05 1b6b n ARG 154 Ca 0.01 0.02 -0.11 0.00 -0.00 0.00 0.00 57.85 57.77 1b6b n ARG 154 Cb 0.47 -1.72 -0.03 0.00 -0.00 0.00 0.00 32.46 31.18 1b6b n ARG 154 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1b6b s ARG 155 N -3.40 0.97 -0.04 2.89 1.70 -1.02 -0.55 118.95 119.50 1b6b s ARG 155 Ca -0.03 -0.25 -0.02 0.00 -0.47 0.00 0.00 55.73 54.97 1b6b s ARG 155 Cb 0.11 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.90 1b6b s ARG 155 CO 0.83 -0.40 0.06 0.00 -1.08 0.00 0.00 175.30 174.71 1b6b s ALA 156 N -2.89 3.52 0.02 7.88 0.00 -0.17 -0.42 121.76 129.69 1b6b s ALA 156 Ca 0.01 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1b6b s ALA 156 Cb -0.01 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 1b6b s ALA 156 CO -0.07 0.65 -0.11 0.14 0.00 0.00 0.00 175.76 176.37 1b6b s VAL 157 N -1.07 0.82 0.36 0.00 -7.23 -0.04 -1.06 120.40 112.18 1b6b s VAL 157 Ca 0.19 -0.74 -0.16 0.00 -1.81 0.00 0.00 61.98 59.45 1b6b s VAL 157 Cb -0.12 -0.74 0.04 0.00 0.56 0.00 0.00 36.38 36.12 1b6b s VAL 157 CO 0.09 0.01 0.76 -1.48 -0.31 0.00 0.00 175.10 174.16 1b6b s LEU 158 N -0.82 0.01 0.05 1.32 0.05 -0.67 -1.72 118.68 116.90 1b6b s LEU 158 Ca 0.00 -1.06 0.04 0.00 0.05 0.00 0.00 54.13 53.16 1b6b s LEU 158 Cb -0.06 2.74 -0.02 0.00 -2.05 0.00 0.00 46.19 46.79 1b6b s LEU 158 CO 0.00 -1.60 -0.12 0.00 -0.55 0.00 0.00 176.35 174.09 1b6b s MET 159 N -2.68 0.75 0.27 1.48 0.23 -1.26 -0.30 119.30 117.79 1b6b s MET 159 Ca 0.16 -0.77 -0.15 0.00 -1.03 0.00 0.00 55.69 53.90 1b6b s MET 159 Cb -0.05 -0.69 0.01 0.00 -1.53 0.00 0.00 34.83 32.56 1b6b s MET 159 CO 0.11 0.16 0.57 0.00 -2.03 0.00 0.00 175.02 173.83 1b6b s GLU 161 N -3.83 3.39 0.30 0.00 2.02 -1.26 -0.49 118.70 118.82 1b6b s GLU 161 Ca 0.19 -0.10 -0.02 0.00 0.02 0.00 0.00 54.97 55.06 1b6b s GLU 161 Cb -0.03 -2.49 0.65 0.00 0.10 0.00 0.00 34.13 32.37 1b6b s GLU 161 CO 0.09 -0.15 1.57 -0.44 0.02 0.00 0.00 175.26 176.36 1b6b h ASP 162 N 0.38 -0.59 -0.13 -0.19 3.32 -1.97 -0.10 116.42 117.14 1b6b h ASP 162 Ca -0.48 0.28 0.04 0.00 0.02 0.00 0.00 57.03 56.89 1b6b h ASP 162 Cb 1.22 0.51 -0.01 0.00 0.22 0.00 0.00 39.33 41.28 1b6b h ASP 162 CO 0.61 -0.34 0.13 0.00 -1.72 0.00 0.00 179.24 177.92 1b6b h ALA 163 N 1.97 1.79 0.00 3.45 0.00 -2.00 -2.73 119.26 121.73 1b6b h ALA 163 Ca 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1b6b h ALA 163 Cb 1.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1b6b h ALA 163 CO -0.93 -0.20 -1.03 1.28 0.00 0.00 0.00 179.25 178.37 1b6b n LEU 164 N -3.94 0.65 -0.07 0.00 4.77 -0.06 -4.44 117.00 113.91 1b6b n LEU 164 Ca 0.00 -0.15 -0.08 0.00 -0.03 0.00 0.00 56.01 55.75 1b6b n LEU 164 Cb 0.24 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1b6b n LEU 164 CO 0.29 0.11 0.66 0.58 -1.33 0.00 0.00 177.39 177.69 1b6b h VAL 165 N 0.00 0.29 -0.03 4.08 2.07 -1.41 -0.02 116.25 121.22 1b6b h VAL 165 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1b6b h VAL 165 Cb 0.66 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1b6b h VAL 165 CO 0.00 0.00 0.03 1.55 0.02 0.00 0.00 177.57 179.17 1b6b h PRO 166 N -0.29 0.00 -0.01 1.57 0.13 -1.78 -1.47 132.00 130.16 1b6b h PRO 166 Ca 0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 1b6b h PRO 166 Cb 0.52 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1b6b h PRO 166 CO -0.45 0.00 -0.01 0.35 -0.23 0.00 0.00 178.00 177.66 1b6b h PHE 167 N 0.00 0.04 0.00 1.56 3.57 -1.31 -3.18 116.94 117.62 1b6b h PHE 167 Ca 0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1b6b h PHE 167 Cb 0.07 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1b6b h PHE 167 CO 0.00 0.53 -0.02 1.88 -2.23 0.00 0.00 178.31 178.46 1b6b h TYR 168 N -0.46 0.00 0.00 0.41 0.05 -0.48 -2.18 116.97 114.31 1b6b h TYR 168 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 1b6b h TYR 168 Cb 0.52 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 1b6b h TYR 168 CO 0.10 0.02 -0.23 1.96 -1.05 0.00 0.00 178.16 178.97 1b6b h GLN 169 N 0.00 0.00 0.00 4.88 4.20 -1.27 -2.51 115.11 120.40 1b6b h GLN 169 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1b6b h GLN 169 Cb 0.39 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 1b6b h GLN 169 CO 0.00 0.23 -0.06 0.00 -0.67 0.00 0.00 178.83 178.33 1b6b h ARG 170 N 0.00 0.00 -0.56 1.46 3.08 -1.45 -2.76 114.38 114.15 1b6b h ARG 170 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b6b h ARG 170 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1b6b h ARG 170 CO 0.03 0.06 0.00 1.19 -1.07 0.00 0.00 179.97 180.18 1b6b n PHE 171 N -3.53 0.74 0.00 3.04 3.72 -1.08 -4.94 117.46 115.42 1b6b n PHE 171 Ca -0.02 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 56.97 1b6b n PHE 171 Cb 0.18 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1b6b n PHE 171 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b6b n GLY 172 N 1.44 0.45 3.76 1.37 0.00 -1.04 -5.02 105.19 106.14 1b6b n GLY 172 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1b6b n GLY 172 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b6b s PHE 173 N -2.00 2.50 -0.02 1.61 0.08 -0.97 -4.48 117.98 114.70 1b6b s PHE 173 Ca 0.00 1.54 0.01 0.00 0.12 0.00 0.00 56.93 58.60 1b6b s PHE 173 Cb 0.00 -3.36 0.01 0.00 -0.57 0.00 0.00 43.02 39.10 1b6b s PHE 173 CO 0.00 -1.94 -0.04 -1.01 -0.10 0.00 0.00 175.22 172.14 1b6b s HIS 174 N -1.82 0.52 -0.11 0.36 3.76 0.83 -4.11 115.29 114.71 1b6b s HIS 174 Ca 0.74 -0.10 -0.29 0.00 -0.15 0.00 0.00 55.06 55.25 1b6b s HIS 174 Cb -0.26 -0.43 -0.05 0.00 1.11 0.00 0.00 32.58 32.95 1b6b s HIS 174 CO 0.33 -0.09 1.67 -1.25 -0.85 0.00 0.00 174.74 174.56 1b6b s PRO 175 N 0.42 4.01 0.36 8.40 0.04 -1.26 -1.25 135.00 145.71 1b6b s PRO 175 Ca -0.05 2.02 0.23 0.00 0.04 0.00 0.00 61.00 63.24 1b6b s PRO 175 Cb -0.08 -4.02 0.24 0.00 0.04 0.00 0.00 34.50 30.68 1b6b s PRO 175 CO -0.00 -1.05 1.44 0.00 0.04 0.00 0.00 177.00 177.42 1b6b h ALA 176 N 10.19 0.84 0.00 8.56 0.00 -0.06 -3.48 119.26 135.31 1b6b h ALA 176 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1b6b h ALA 176 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1b6b h ALA 176 CO 0.97 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.63 1b6b n GLY 177 N 1.13 1.78 3.73 0.00 0.00 -1.25 -4.99 105.19 105.58 1b6b n GLY 177 Ca 0.03 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 1b6b n GLY 177 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b6b s PRO 178 N -1.35 1.22 0.09 1.61 0.04 -1.26 -0.77 135.00 134.57 1b6b s PRO 178 Ca 0.00 0.72 0.06 0.00 0.04 0.00 0.00 61.00 61.82 1b6b s PRO 178 Cb 0.00 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 1b6b s PRO 178 CO 0.00 -2.24 -0.16 0.00 0.04 0.00 0.00 177.00 174.63 1b6b n ALA 180 N 1.13 1.04 -2.24 0.00 0.00 -1.26 -4.61 120.51 114.56 1b6b n ALA 180 Ca -0.20 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 1b6b n ALA 180 Cb 0.54 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 1b6b n ALA 180 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1b6b s ILE 181 N -3.49 3.95 -0.28 0.00 1.01 -1.26 -4.74 121.20 116.38 1b6b s ILE 181 Ca -0.02 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.76 1b6b s ILE 181 Cb 0.06 -3.80 0.08 0.00 0.01 0.00 0.00 42.46 38.81 1b6b s ILE 181 CO 0.18 -0.18 0.03 0.68 0.00 0.00 0.00 174.94 175.65 1b6b s VAL 182 N 4.09 1.34 -0.46 2.92 -7.23 -1.26 -4.31 120.40 115.48 1b6b s VAL 182 Ca 0.64 -1.45 -0.22 0.00 -1.81 0.00 0.00 61.98 59.13 1b6b s VAL 182 Cb -0.25 -1.85 0.03 0.00 0.56 0.00 0.00 36.38 34.86 1b6b s VAL 182 CO 0.23 -0.43 0.75 0.54 -0.31 0.00 0.00 175.10 175.88 1b6b s VAL 183 N 1.42 4.69 0.00 1.32 0.11 -1.23 -4.79 120.40 121.92 1b6b s VAL 183 Ca 0.04 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1b6b s VAL 183 Cb -0.18 -4.31 0.00 0.00 -1.53 0.00 0.00 36.38 30.36 1b6b s VAL 183 CO -0.14 -0.73 0.00 0.61 -3.33 0.00 0.00 175.10 171.51 1b6b n GLY 184 N 5.03 0.73 0.00 6.54 0.00 -1.26 -2.15 105.19 114.08 1b6b n GLY 184 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1b6b n GLY 184 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b6b n SER 185 N 4.42 4.43 -4.78 1.61 3.41 -1.26 -5.07 113.62 116.38 1b6b n SER 185 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1b6b n SER 185 Cb 0.00 0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 64.41 1b6b n SER 185 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1b6b s LEU 186 N -3.61 4.34 0.09 1.04 1.43 -0.91 -5.03 118.68 116.02 1b6b s LEU 186 Ca 0.00 2.98 0.04 0.00 -1.03 0.00 0.00 54.13 56.11 1b6b s LEU 186 Cb 0.00 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1b6b s LEU 186 CO 0.00 -0.81 0.07 0.42 0.23 0.00 0.00 176.35 176.26 1b6b s THR 187 N -1.06 4.45 0.25 5.49 -4.23 -1.26 -3.48 115.64 115.80 1b6b s THR 187 Ca 0.53 -0.84 0.03 0.00 -1.18 0.00 0.00 61.69 60.23 1b6b s THR 187 Cb -0.45 -3.15 -0.05 0.00 1.34 0.00 0.00 72.50 70.18 1b6b s THR 187 CO 0.60 0.10 0.03 -0.36 -0.54 0.00 0.00 174.62 174.45 1b6b s PHE 188 N -1.42 1.60 -0.07 3.99 0.08 -1.26 -4.57 117.98 116.33 1b6b s PHE 188 Ca 0.29 -0.99 0.05 0.00 0.12 0.00 0.00 56.93 56.39 1b6b s PHE 188 Cb -0.12 -0.95 -0.00 0.00 -0.57 0.00 0.00 43.02 41.37 1b6b s PHE 188 CO 0.22 -0.11 -0.22 0.99 -0.10 0.00 0.00 175.22 176.00 1b6b s THR 189 N -3.49 1.86 -0.25 0.64 2.01 0.36 -2.79 115.64 113.97 1b6b s THR 189 Ca 0.32 -0.93 -0.24 0.00 0.31 0.00 0.00 61.69 61.14 1b6b s THR 189 Cb 0.07 -1.59 -0.00 0.00 0.01 0.00 0.00 72.50 70.98 1b6b s THR 189 CO 0.11 0.52 0.82 -0.70 -0.69 0.00 0.00 174.62 174.68 1b6b s GLU 190 N 0.12 4.15 -0.19 4.92 2.12 0.05 -1.82 118.70 128.06 1b6b s GLU 190 Ca -0.10 0.88 -0.09 0.00 0.36 0.00 0.00 54.97 56.03 1b6b s GLU 190 Cb -0.15 -3.66 -0.05 0.00 0.26 0.00 0.00 34.13 30.54 1b6b s GLU 190 CO 0.05 -0.55 0.10 -1.64 -0.54 0.00 0.00 175.26 172.68 1b6b s MET 191 N 2.86 4.05 -0.04 4.30 -1.94 0.59 0.72 119.30 129.85 1b6b s MET 191 Ca 0.34 -0.27 0.06 0.00 -1.71 0.00 0.00 55.69 54.11 1b6b s MET 191 Cb -0.15 -3.31 -0.02 0.00 2.01 0.00 0.00 34.83 33.36 1b6b s MET 191 CO 0.08 0.31 -0.22 -1.01 -0.01 0.00 0.00 175.02 174.17 1b6b s HIS 192 N 0.29 2.47 -0.17 -0.03 3.76 -0.38 -1.67 115.29 119.56 1b6b s HIS 192 Ca 0.06 -0.40 -0.02 0.00 -0.15 0.00 0.00 55.06 54.55 1b6b s HIS 192 Cb -0.12 -1.56 0.05 0.00 1.11 0.00 0.00 32.58 32.06 1b6b s HIS 192 CO -0.01 -0.00 0.00 0.00 -0.85 0.00 0.00 174.74 173.88 1b6b s SER 194 N 1.79 6.49 -0.37 0.00 0.01 -1.26 -1.00 113.70 119.36 1b6b s SER 194 Ca 0.00 1.73 -0.22 0.00 1.31 0.00 0.00 55.95 58.78 1b6b s SER 194 Cb -0.16 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.55 1b6b s SER 194 CO -0.07 -1.14 0.70 -0.76 0.41 0.00 0.00 173.24 172.37 1b6b s LEU 195 N 4.80 4.23 0.00 2.44 1.43 0.29 -4.36 118.68 127.51 1b6b s LEU 195 Ca 0.70 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 1b6b s LEU 195 Cb -0.26 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.09 1b6b s LEU 195 CO 0.28 -0.68 0.00 -1.14 0.23 0.00 0.00 176.35 175.04 1b6b n ARG 196 N 6.23 0.00 0.00 1.70 0.00 -1.26 -4.60 116.66 118.73 1b6b n ARG 196 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1b6b n ARG 196 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.94 1b6b n ARG 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1b6b n GLY 197 N -1.36 -1.55 1.53 5.14 0.00 -1.26 -4.00 105.19 103.69 1b6b n GLY 197 Ca 0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 46.02 44.69 1b6b n GLY 197 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1b6b n HIS 198 N -0.23 1.54 0.06 1.61 8.25 -1.26 -4.17 115.22 121.02 1b6b n HIS 198 Ca 0.00 -0.81 -0.03 0.00 -0.26 0.00 0.00 57.72 56.62 1b6b n HIS 198 Cb 0.00 -0.49 0.20 0.00 1.12 0.00 0.00 29.99 30.82 1b6b n HIS 198 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1b6b h ALA 199 N 2.49 1.06 0.00 -1.41 0.00 -2.05 -3.30 119.26 116.05 1b6b h ALA 199 Ca 0.16 -0.40 -0.47 0.00 0.00 0.00 0.00 54.91 54.20 1b6b h ALA 199 Cb 1.72 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 19.44 1b6b h ALA 199 CO 0.46 0.59 2.67 0.00 0.00 0.00 0.00 179.25 182.97 1b6b n ALA 200 N -2.48 4.67 0.68 0.00 0.00 -1.26 -5.25 120.51 116.87 1b6b n ALA 200 Ca -0.01 -2.45 0.05 0.00 0.00 0.00 0.00 53.44 51.03 1b6b n ALA 200 Cb 0.47 -3.18 0.32 0.00 0.00 0.00 0.00 19.45 17.07 1b6b n ALA 200 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78