#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1d s ASP 41 N 0.00 7.15 -0.25 6.43 -0.00 -1.26 -0.47 116.67 128.26 2h1d s ASP 41 Ca 0.00 2.13 -0.29 0.00 -0.00 0.00 0.00 52.55 54.39 2h1d s ASP 41 Cb 0.00 -2.60 0.01 0.00 -0.00 0.00 0.00 42.92 40.33 2h1d s ASP 41 CO 0.00 -0.33 1.08 0.00 -0.00 0.00 0.00 175.17 175.92 2h1d s ALA 42 N 0.11 3.61 0.15 5.23 0.00 -1.05 -4.86 121.76 124.95 2h1d s ALA 42 Ca 0.53 0.13 -0.34 0.00 0.00 0.00 0.00 51.96 52.28 2h1d s ALA 42 Cb -0.31 -3.61 -0.16 0.00 0.00 0.00 0.00 23.12 19.05 2h1d s ALA 42 CO 0.34 -1.23 1.29 -2.30 0.00 0.00 0.00 175.76 173.86 2h1d n PRO 43 N 6.56 1.35 -1.61 0.00 -0.02 -1.26 -4.92 135.00 135.10 2h1d n PRO 43 Ca 0.12 0.48 -0.31 0.00 -2.02 0.00 0.00 63.50 61.78 2h1d n PRO 43 Cb 0.46 -2.07 0.05 0.00 -0.02 0.00 0.00 33.50 31.92 2h1d n PRO 43 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2h1d s ASN 44 N 0.27 5.36 0.20 2.55 2.47 -1.26 -5.00 114.94 119.52 2h1d s ASN 44 Ca 0.77 1.53 -0.23 0.00 0.42 0.00 0.00 52.86 55.35 2h1d s ASN 44 Cb -0.84 -2.41 0.05 0.00 -1.45 0.00 0.00 41.25 36.60 2h1d s ASN 44 CO 0.49 -1.45 0.68 0.72 -3.72 0.00 0.00 177.10 173.83 2h1d s PHE 45 N -3.09 -0.37 -0.05 0.43 -0.12 -1.26 -4.98 117.98 108.54 2h1d s PHE 45 Ca 0.58 0.06 0.01 0.00 -0.05 0.00 0.00 56.93 57.53 2h1d s PHE 45 Cb -0.14 0.62 0.02 0.00 -0.63 0.00 0.00 43.02 42.90 2h1d s PHE 45 CO 0.55 -0.98 -0.06 0.08 -0.05 0.00 0.00 175.22 174.75 2h1d s VAL 46 N -3.75 0.66 0.19 -2.49 1.01 -1.26 -1.81 120.40 112.95 2h1d s VAL 46 Ca 0.06 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 2h1d s VAL 46 Cb -0.03 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 2h1d s VAL 46 CO -0.04 0.26 0.28 -0.76 0.00 0.00 0.00 175.10 174.84 2h1d s LEU 47 N 0.96 0.90 -0.10 3.92 1.43 0.11 -4.97 118.68 120.93 2h1d s LEU 47 Ca -0.10 -1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 51.94 2h1d s LEU 47 Cb -0.14 1.08 -0.03 0.00 0.03 0.00 0.00 46.19 47.12 2h1d s LEU 47 CO 0.00 -0.93 -0.02 -1.61 0.23 0.00 0.00 176.35 174.02 2h1d s GLU 48 N -4.03 3.09 0.86 1.70 2.02 -1.26 -0.21 118.70 120.87 2h1d s GLU 48 Ca 0.24 -0.45 -0.14 0.00 0.02 0.00 0.00 54.97 54.64 2h1d s GLU 48 Cb 0.03 -2.79 0.20 0.00 0.10 0.00 0.00 34.13 31.67 2h1d s GLU 48 CO 0.05 0.60 1.17 -0.40 0.02 0.00 0.00 175.26 176.71 2h1d n ASP 49 N 2.45 0.14 0.00 -0.19 5.68 -0.25 -2.04 116.55 122.35 2h1d n ASP 49 Ca -0.18 -1.46 0.04 0.00 -0.50 0.00 0.00 54.79 52.69 2h1d n ASP 49 Cb 0.53 -0.89 0.23 0.00 -1.14 0.00 0.00 41.12 39.85 2h1d n ASP 49 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2h1d n THR 50 N -3.60 0.00 -0.27 2.12 -2.24 -0.72 -1.74 114.28 107.83 2h1d n THR 50 Ca 0.15 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.97 2h1d n THR 50 Cb 0.52 -0.34 0.10 0.00 -2.10 0.00 0.00 70.33 68.50 2h1d n THR 50 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2h1d n ASN 51 N -0.68 2.56 0.00 3.42 3.02 -1.26 -4.99 115.26 117.33 2h1d n ASN 51 Ca 0.06 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.40 2h1d n ASN 51 Cb 0.03 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 2h1d n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h1d n GLY 52 N -0.22 0.77 3.71 7.41 0.00 -0.71 -5.03 105.19 111.12 2h1d n GLY 52 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2h1d n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h1d s LYS 53 N -0.46 4.47 -0.12 1.61 2.20 -1.26 -4.74 119.74 121.45 2h1d s LYS 53 Ca 0.00 1.15 -0.29 0.00 -0.36 0.00 0.00 55.97 56.47 2h1d s LYS 53 Cb 0.00 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.79 2h1d s LYS 53 CO 0.00 -0.06 1.75 0.50 -0.36 0.00 0.00 175.35 177.18 2h1d s ARG 54 N 1.15 3.92 -0.09 4.03 3.52 -1.26 -1.10 118.95 129.12 2h1d s ARG 54 Ca 0.44 2.05 0.02 0.00 -0.13 0.00 0.00 55.73 58.12 2h1d s ARG 54 Cb -0.19 -4.08 -0.01 0.00 -1.56 0.00 0.00 34.95 29.11 2h1d s ARG 54 CO 0.21 -1.16 -0.17 0.42 -0.81 0.00 0.00 175.30 173.79 2h1d s ILE 55 N 5.00 2.72 -0.07 4.11 1.01 0.71 -4.98 121.20 129.70 2h1d s ILE 55 Ca 0.78 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 60.67 2h1d s ILE 55 Cb -0.32 -2.09 -0.00 0.00 0.01 0.00 0.00 42.46 40.06 2h1d s ILE 55 CO 0.32 0.55 -0.20 -0.70 0.00 0.00 0.00 174.94 174.91 2h1d s GLU 56 N 0.02 2.27 0.19 2.79 2.12 -1.26 -0.71 118.70 124.12 2h1d s GLU 56 Ca -0.06 -0.71 -0.12 0.00 0.36 0.00 0.00 54.97 54.44 2h1d s GLU 56 Cb -0.15 -1.85 0.21 0.00 0.26 0.00 0.00 34.13 32.60 2h1d s GLU 56 CO 0.05 0.22 1.71 1.25 -0.54 0.00 0.00 175.26 177.94 2h1d h LEU 57 N 6.46 -0.05 -1.68 2.70 5.85 -1.74 -1.95 115.31 124.91 2h1d h LEU 57 Ca -0.29 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 2h1d h LEU 57 Cb 1.19 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 2h1d h LEU 57 CO 0.47 0.00 -0.18 0.77 -0.34 0.00 0.00 178.44 179.17 2h1d h SER 58 N 0.21 0.00 0.00 1.25 4.64 -1.96 0.37 113.55 118.06 2h1d h SER 58 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2h1d h SER 58 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2h1d h SER 58 CO -0.36 0.18 0.08 0.44 -0.87 0.00 0.00 176.83 176.29 2h1d h ASP 59 N 0.00 0.00 -0.64 4.97 3.32 -1.75 -2.30 116.42 120.02 2h1d h ASP 59 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2h1d h ASP 59 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2h1d h ASP 59 CO 0.02 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.72 2h1d n LEU 60 N -2.37 3.70 -4.77 1.55 4.77 0.12 -4.96 117.00 115.05 2h1d n LEU 60 Ca -0.02 -1.85 -0.41 0.00 -0.03 0.00 0.00 56.01 53.70 2h1d n LEU 60 Cb 0.12 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.73 2h1d n LEU 60 CO 0.10 0.85 1.16 -0.54 -1.33 0.00 0.00 177.39 177.63 2h1d s LYS 61 N -1.28 4.12 0.00 3.23 1.02 -0.87 -1.54 119.74 124.42 2h1d s LYS 61 Ca 0.44 2.56 0.00 0.00 0.02 0.00 0.00 55.97 58.99 2h1d s LYS 61 Cb 0.24 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 2h1d s LYS 61 CO 0.28 -0.54 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 2h1d n GLY 62 N 0.90 3.23 3.59 -3.33 0.00 -0.27 -5.05 105.19 104.26 2h1d n GLY 62 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2h1d n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1d s LYS 63 N -0.64 2.21 0.40 1.61 1.02 -0.59 -4.78 119.74 118.97 2h1d s LYS 63 Ca 0.00 -0.98 -0.25 0.00 0.02 0.00 0.00 55.97 54.76 2h1d s LYS 63 Cb 0.00 -2.35 -0.08 0.00 -0.52 0.00 0.00 37.83 34.87 2h1d s LYS 63 CO 0.00 0.52 1.14 0.20 -0.92 0.00 0.00 175.35 176.28 2h1d s GLY 64 N -2.18 2.83 -0.11 -3.33 0.00 -0.62 -4.00 107.32 99.92 2h1d s GLY 64 Ca 0.22 0.89 0.01 0.00 0.00 0.00 0.00 44.72 45.84 2h1d s GLY 64 CO 0.14 1.38 -0.12 0.14 0.00 0.00 0.00 173.10 174.64 2h1d s VAL 65 N -1.48 1.33 -0.63 1.40 1.01 0.10 0.23 120.40 122.36 2h1d s VAL 65 Ca 0.57 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 2h1d s VAL 65 Cb -0.28 -1.25 0.14 0.00 0.00 0.00 0.00 36.38 34.99 2h1d s VAL 65 CO 0.35 0.41 0.64 0.12 0.00 0.00 0.00 175.10 176.63 2h1d s PHE 66 N 1.26 3.28 -0.44 5.22 2.19 0.10 -1.45 117.98 128.14 2h1d s PHE 66 Ca -0.02 -1.35 -0.16 0.00 0.33 0.00 0.00 56.93 55.73 2h1d s PHE 66 Cb -0.14 -3.89 0.04 0.00 -1.31 0.00 0.00 43.02 37.72 2h1d s PHE 66 CO -0.05 -1.11 0.41 -1.17 1.83 0.00 0.00 175.22 175.13 2h1d s LEU 67 N 1.65 5.10 -0.18 6.12 2.96 -0.16 -1.67 118.68 132.50 2h1d s LEU 67 Ca 0.10 -0.90 -0.05 0.00 -0.22 0.00 0.00 54.13 53.05 2h1d s LEU 67 Cb -0.23 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 2h1d s LEU 67 CO 0.01 -0.59 0.01 0.21 -1.32 0.00 0.00 176.35 174.67 2h1d s ASN 68 N 2.04 5.08 -0.21 3.68 3.04 -0.00 0.20 114.94 128.77 2h1d s ASN 68 Ca 0.09 -0.10 -0.08 0.00 0.04 0.00 0.00 52.86 52.81 2h1d s ASN 68 Cb -0.19 -1.86 -0.04 0.00 -1.54 0.00 0.00 41.25 37.62 2h1d s ASN 68 CO 0.11 0.12 0.08 -0.36 -3.04 0.00 0.00 177.10 174.02 2h1d s PHE 69 N 0.66 3.21 0.19 0.43 0.40 0.10 0.19 117.98 123.16 2h1d s PHE 69 Ca 0.00 -0.02 -0.11 0.00 -0.60 0.00 0.00 56.93 56.20 2h1d s PHE 69 Cb -0.14 -2.16 -0.00 0.00 0.51 0.00 0.00 43.02 41.23 2h1d s PHE 69 CO 0.02 0.00 0.36 1.67 0.70 0.00 0.00 175.22 177.97 2h1d s TRP 70 N 0.83 0.33 0.03 0.36 1.48 -0.63 -2.12 118.94 119.21 2h1d s TRP 70 Ca 0.04 -0.68 -0.11 0.00 -1.06 0.00 0.00 56.10 54.30 2h1d s TRP 70 Cb -0.13 0.05 0.01 0.00 -1.16 0.00 0.00 33.47 32.24 2h1d s TRP 70 CO 0.02 -0.81 0.22 0.20 -4.06 0.00 0.00 176.95 172.53 2h1d s GLY 71 N -2.97 -0.02 0.00 3.67 0.00 -1.26 -0.52 107.32 106.22 2h1d s GLY 71 Ca 0.18 -0.14 0.13 0.00 0.00 0.00 0.00 44.72 44.88 2h1d s GLY 71 CO 0.02 -0.32 1.35 -1.30 0.00 0.00 0.00 173.10 172.85 2h1d n THR 72 N 0.82 0.83 1.01 0.90 -2.24 -1.26 -2.06 114.28 112.28 2h1d n THR 72 Ca -0.20 0.21 0.12 0.00 -2.27 0.00 0.00 64.05 61.91 2h1d n THR 72 Cb 0.58 -0.99 0.32 0.00 -2.10 0.00 0.00 70.33 68.14 2h1d n THR 72 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2h1d n TRP 73 N -1.36 0.22 -3.13 4.78 2.14 -1.26 -4.87 117.44 113.95 2h1d n TRP 73 Ca 0.05 -0.11 -0.41 0.00 2.07 0.00 0.00 57.50 59.10 2h1d n TRP 73 Cb 0.12 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.55 2h1d n TRP 73 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2h1d h GLU 75 N 8.16 0.62 -0.64 0.00 4.39 -1.90 -2.06 114.58 123.14 2h1d h GLU 75 Ca -0.27 -0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.50 2h1d h GLU 75 Cb 1.12 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.59 2h1d h GLU 75 CO 0.79 0.42 0.43 -1.35 -1.16 0.00 0.00 179.01 178.14 2h1d h PRO 76 N 0.63 0.42 0.00 2.33 0.11 -1.95 -1.71 132.00 131.83 2h1d h PRO 76 Ca 0.17 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.17 2h1d h PRO 76 Cb -0.05 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 2h1d h PRO 76 CO -0.04 0.27 -0.39 0.00 -0.21 0.00 0.00 178.00 177.64 2h1d h LYS 78 N 0.00 0.27 0.12 0.00 1.57 -1.23 -0.23 116.57 117.07 2h1d h LYS 78 Ca -0.00 -0.04 -0.32 0.00 -1.87 0.00 0.00 60.65 58.42 2h1d h LYS 78 Cb 0.85 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 2h1d h LYS 78 CO 0.05 0.31 -1.62 0.87 -0.57 0.00 0.00 179.45 178.49 2h1d h LYS 79 N 0.27 0.25 0.00 3.15 1.57 -1.27 -3.40 116.57 117.13 2h1d h LYS 79 Ca 0.06 -0.42 -0.26 0.00 -1.87 0.00 0.00 60.65 58.16 2h1d h LYS 79 Cb 0.21 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 2h1d h LYS 79 CO 0.01 1.10 -1.61 0.93 -0.57 0.00 0.00 179.45 179.31 2h1d h GLU 80 N 0.07 0.00 -0.42 3.15 5.08 -0.73 -3.34 114.58 118.39 2h1d h GLU 80 Ca -0.28 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 2h1d h GLU 80 Cb 2.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.26 2h1d h GLU 80 CO 0.15 0.46 0.15 0.74 -1.00 0.00 0.00 179.01 179.50 2h1d h PHE 81 N 0.00 0.66 -0.87 4.33 -1.00 -1.26 -0.41 116.94 118.38 2h1d h PHE 81 Ca -0.25 -0.06 0.12 0.00 2.81 0.00 0.00 57.97 60.59 2h1d h PHE 81 Cb 1.90 -0.19 -0.07 0.00 3.61 0.00 0.00 35.95 41.20 2h1d h PHE 81 CO 0.00 0.59 0.56 -1.35 -1.61 0.00 0.00 178.31 176.51 2h1d h PRO 82 N 0.53 0.74 -0.35 1.51 0.11 -1.70 0.93 132.00 133.76 2h1d h PRO 82 Ca 0.14 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.12 2h1d h PRO 82 Cb 0.23 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 2h1d h PRO 82 CO -0.01 0.49 -0.12 1.88 -0.21 0.00 0.00 178.00 180.03 2h1d h TYR 83 N 0.76 0.79 -0.74 0.65 0.05 -1.54 -1.14 116.97 115.80 2h1d h TYR 83 Ca 0.42 -0.18 -0.03 0.00 0.05 0.00 0.00 58.73 58.99 2h1d h TYR 83 Cb 0.57 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 2h1d h TYR 83 CO -0.00 0.88 0.33 0.52 -1.05 0.00 0.00 178.16 178.84 2h1d h MET 84 N 0.49 1.07 -0.67 4.88 2.86 -0.77 -1.08 114.93 121.72 2h1d h MET 84 Ca 0.08 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2h1d h MET 84 Cb 0.64 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 2h1d h MET 84 CO 0.04 0.84 0.35 0.00 1.06 0.00 0.00 176.91 179.21 2h1d h ALA 85 N 1.30 0.85 -0.08 6.32 0.00 -0.64 0.25 119.26 127.27 2h1d h ALA 85 Ca 0.25 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 2h1d h ALA 85 Cb 0.14 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.68 2h1d h ALA 85 CO -0.03 0.38 -0.87 -0.97 0.00 0.00 0.00 179.25 177.77 2h1d h ASN 86 N 0.91 0.79 0.06 0.00 -1.24 -0.95 -2.94 115.58 112.21 2h1d h ASN 86 Ca 0.23 -0.56 -0.08 0.00 0.71 0.00 0.00 56.30 56.60 2h1d h ASN 86 Cb 0.06 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.86 2h1d h ASN 86 CO -0.04 1.35 -0.24 1.56 -1.29 0.00 0.00 177.43 178.78 2h1d h GLN 87 N 0.41 0.31 -0.29 6.67 1.08 -1.09 -3.00 115.11 119.19 2h1d h GLN 87 Ca -0.07 -0.10 0.01 0.00 -1.45 0.00 0.00 58.65 57.03 2h1d h GLN 87 Cb 1.49 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.88 2h1d h GLN 87 CO 0.17 0.54 0.20 -0.92 -0.95 0.00 0.00 178.83 177.86 2h1d h TYR 88 N 0.28 0.35 -0.89 2.96 3.20 -0.38 0.78 116.97 123.27 2h1d h TYR 88 Ca 0.04 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.98 2h1d h TYR 88 Cb 0.59 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.68 2h1d h TYR 88 CO 0.01 0.22 0.58 0.87 -1.64 0.00 0.00 178.16 178.20 2h1d h LYS 89 N 0.37 1.00 0.17 1.82 1.57 -1.37 -1.94 116.57 118.19 2h1d h LYS 89 Ca 0.11 -0.06 -0.32 0.00 -1.87 0.00 0.00 60.65 58.51 2h1d h LYS 89 Cb -0.01 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.09 2h1d h LYS 89 CO -0.02 0.66 -1.60 1.25 -0.57 0.00 0.00 179.45 179.17 2h1d h HIS 90 N 1.03 0.67 0.00 -1.35 2.76 -1.42 -3.41 115.15 113.43 2h1d h HIS 90 Ca 0.38 -0.49 -0.10 0.00 -2.20 0.00 0.00 60.37 57.96 2h1d h HIS 90 Cb 0.16 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2h1d h HIS 90 CO -0.00 1.62 -0.93 0.74 -1.30 0.00 0.00 177.93 178.06 2h1d h PHE 91 N -0.02 0.00 -0.99 5.26 0.04 -0.78 -3.37 116.94 117.08 2h1d h PHE 91 Ca -0.32 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.55 2h1d h PHE 91 Cb 2.00 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 40.07 2h1d h PHE 91 CO 0.12 0.38 0.63 -0.22 -0.60 0.00 0.00 178.31 178.62 2h1d h LYS 92 N 0.00 1.02 -0.01 1.51 3.64 -1.47 0.86 116.57 122.12 2h1d h LYS 92 Ca -0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2h1d h LYS 92 Cb 1.35 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2h1d h LYS 92 CO 0.04 0.67 -0.12 -1.13 -2.27 0.00 0.00 179.45 176.64 2h1d n SER 93 N -4.57 0.76 -0.13 4.20 3.41 -1.26 -2.46 113.62 113.57 2h1d n SER 93 Ca 0.17 -0.85 0.15 0.00 -0.26 0.00 0.00 58.87 58.08 2h1d n SER 93 Cb 0.29 -0.00 0.76 0.00 -0.26 0.00 0.00 64.21 65.00 2h1d n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h1d n GLN 94 N -0.68 0.99 -1.64 4.33 1.13 0.26 -4.95 117.38 116.82 2h1d n GLN 94 Ca 0.15 -0.25 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 2h1d n GLN 94 Cb 0.30 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.15 2h1d n GLN 94 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2h1d n GLY 95 N 1.14 0.54 3.59 1.08 0.00 -1.01 -4.19 105.19 106.33 2h1d n GLY 95 Ca 0.19 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 2h1d n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h1d s VAL 96 N -2.00 4.29 0.06 1.61 1.01 -0.95 -1.59 120.40 122.83 2h1d s VAL 96 Ca 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.81 2h1d s VAL 96 Cb 0.00 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2h1d s VAL 96 CO 0.00 0.51 -0.08 -0.70 0.00 0.00 0.00 175.10 174.83 2h1d s GLU 97 N 0.02 2.34 -0.10 2.72 2.56 0.14 -3.92 118.70 122.46 2h1d s GLU 97 Ca 0.03 -0.88 -0.04 0.00 0.00 0.00 0.00 54.97 54.07 2h1d s GLU 97 Cb -0.13 -2.40 -0.04 0.00 2.00 0.00 0.00 34.13 33.56 2h1d s GLU 97 CO 0.02 0.55 0.07 0.42 -0.56 0.00 0.00 175.26 175.76 2h1d s ILE 98 N -1.12 4.89 -0.25 -3.70 1.01 -1.26 0.02 121.20 120.78 2h1d s ILE 98 Ca 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.81 2h1d s ILE 98 Cb -0.11 -3.10 0.08 0.00 0.01 0.00 0.00 42.46 39.34 2h1d s ILE 98 CO 0.11 0.61 0.04 -0.69 0.00 0.00 0.00 174.94 175.01 2h1d s VAL 99 N -0.94 0.95 -0.55 2.92 1.01 -0.67 -4.13 120.40 119.00 2h1d s VAL 99 Ca 0.14 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 60.84 2h1d s VAL 99 Cb -0.12 -1.51 0.09 0.00 0.00 0.00 0.00 36.38 34.85 2h1d s VAL 99 CO 0.03 -0.38 0.61 0.00 0.00 0.00 0.00 175.10 175.36 2h1d s ALA 100 N 1.62 3.47 -0.59 5.51 0.00 -0.68 -0.82 121.76 130.27 2h1d s ALA 100 Ca 0.02 -2.15 -0.24 0.00 0.00 0.00 0.00 51.96 49.60 2h1d s ALA 100 Cb -0.18 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.61 2h1d s ALA 100 CO -0.14 -2.13 0.98 0.08 0.00 0.00 0.00 175.76 174.55 2h1d s VAL 101 N 2.35 4.31 0.01 0.00 1.01 0.50 -1.47 120.40 127.11 2h1d s VAL 101 Ca 0.10 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 2h1d s VAL 101 Cb -0.24 -4.61 -0.05 0.00 0.00 0.00 0.00 36.38 31.48 2h1d s VAL 101 CO 0.07 -1.26 1.30 0.21 0.00 0.00 0.00 175.10 175.42 2h1d s ASN 102 N 3.12 6.96 -1.49 3.32 3.84 -0.42 -1.61 114.94 128.65 2h1d s ASN 102 Ca 0.29 2.03 -0.13 0.00 0.21 0.00 0.00 52.86 55.26 2h1d s ASN 102 Cb -0.13 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 2h1d s ASN 102 CO 0.17 -0.62 2.42 1.33 -2.79 0.00 0.00 177.10 177.62 2h1d n VAL 103 N 4.40 3.65 -0.07 -5.21 0.24 0.32 -1.39 118.33 120.26 2h1d n VAL 103 Ca 0.11 -2.85 0.00 0.00 -2.04 0.00 0.00 64.34 59.56 2h1d n VAL 103 Cb 0.45 -2.60 0.00 0.00 -1.47 0.00 0.00 33.84 30.22 2h1d n VAL 103 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2h1d n GLY 104 N 3.96 0.50 3.91 7.63 0.00 -0.89 -4.95 105.19 115.36 2h1d n GLY 104 Ca 0.59 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.34 2h1d n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h1d s GLU 105 N -0.92 3.29 0.55 1.61 2.02 -1.26 -4.88 118.70 119.10 2h1d s GLU 105 Ca 0.00 0.18 -0.21 0.00 0.02 0.00 0.00 54.97 54.96 2h1d s GLU 105 Cb 0.00 -2.30 -0.05 0.00 0.10 0.00 0.00 34.13 31.89 2h1d s GLU 105 CO 0.00 -0.46 1.24 -1.54 0.02 0.00 0.00 175.26 174.53 2h1d s SER 106 N -4.20 5.44 0.34 -0.19 1.04 -1.26 -4.79 113.70 110.08 2h1d s SER 106 Ca 0.51 2.48 0.14 0.00 0.48 0.00 0.00 55.95 59.56 2h1d s SER 106 Cb -0.10 -2.61 1.07 0.00 0.10 0.00 0.00 66.02 64.47 2h1d s SER 106 CO 0.46 -1.43 1.66 0.50 0.98 0.00 0.00 173.24 175.41 2h1d h LYS 107 N 1.33 0.31 -0.12 4.02 3.64 -2.00 -1.51 116.57 122.24 2h1d h LYS 107 Ca -0.50 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 58.66 2h1d h LYS 107 Cb 1.29 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2h1d h LYS 107 CO 0.57 0.21 -0.70 0.82 -2.27 0.00 0.00 179.45 178.08 2h1d h ILE 108 N 0.32 1.31 -0.50 2.00 5.03 -1.98 -0.44 117.51 123.24 2h1d h ILE 108 Ca 0.72 -1.94 -0.01 0.00 -0.12 0.00 0.00 64.86 63.51 2h1d h ILE 108 Cb 1.64 2.10 -0.02 0.00 -3.03 0.00 0.00 36.82 37.51 2h1d h ILE 108 CO -0.61 0.60 0.26 0.00 -0.68 0.00 0.00 178.15 177.73 2h1d h ALA 109 N 0.51 0.65 -0.03 1.87 0.00 -1.66 -1.51 119.26 119.08 2h1d h ALA 109 Ca -0.05 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2h1d h ALA 109 Cb 1.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2h1d h ALA 109 CO 0.14 0.18 -0.01 0.28 0.00 0.00 0.00 179.25 179.85 2h1d h VAL 110 N 0.67 0.97 -0.93 0.00 2.07 -1.38 -1.73 116.25 115.92 2h1d h VAL 110 Ca 0.18 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.76 2h1d h VAL 110 Cb 0.08 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 2h1d h VAL 110 CO -0.03 0.00 0.59 -0.74 0.02 0.00 0.00 177.57 177.42 2h1d h HIS 111 N 0.00 1.10 -0.39 1.57 6.17 -0.91 -0.57 115.15 122.12 2h1d h HIS 111 Ca 0.02 0.03 -0.11 0.00 0.71 0.00 0.00 60.37 61.02 2h1d h HIS 111 Cb 0.02 -0.36 -0.01 0.00 2.52 0.00 0.00 27.41 29.59 2h1d h HIS 111 CO -0.10 0.57 -0.19 -0.91 0.71 0.00 0.00 177.93 178.01 2h1d h ASN 112 N 1.08 0.84 -0.76 3.26 -0.26 -1.05 -1.99 115.58 116.70 2h1d h ASN 112 Ca 0.40 -0.40 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2h1d h ASN 112 Cb 0.16 -0.23 -0.04 0.00 -1.06 0.00 0.00 38.32 37.15 2h1d h ASN 112 CO -0.17 1.06 0.47 0.15 -1.06 0.00 0.00 177.43 177.87 2h1d h PHE 113 N 0.62 0.99 -0.78 1.19 3.04 -0.47 -1.11 116.94 120.42 2h1d h PHE 113 Ca 0.09 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.01 2h1d h PHE 113 Cb 0.74 -0.33 -0.04 0.00 2.56 0.00 0.00 35.95 38.89 2h1d h PHE 113 CO 0.06 0.65 0.39 0.52 -2.02 0.00 0.00 178.31 177.91 2h1d h MET 114 N 1.03 1.11 -0.33 1.11 2.86 -0.92 -0.98 114.93 118.81 2h1d h MET 114 Ca 0.27 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 2h1d h MET 114 Cb -0.06 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 2h1d h MET 114 CO -0.05 0.85 -0.12 -0.22 1.06 0.00 0.00 176.91 178.43 2h1d h LYS 115 N 1.09 0.67 -0.68 1.72 3.64 -1.25 -1.70 116.57 120.05 2h1d h LYS 115 Ca 0.27 -0.27 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2h1d h LYS 115 Cb 0.10 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2h1d h LYS 115 CO -0.04 0.86 0.18 0.77 -2.27 0.00 0.00 179.45 178.95 2h1d h SER 116 N 0.44 1.01 -0.61 4.20 0.02 -0.80 -3.15 113.55 114.66 2h1d h SER 116 Ca 0.08 -0.20 -0.14 0.00 -0.84 0.00 0.00 61.79 60.69 2h1d h SER 116 Cb 0.63 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 62.82 2h1d h SER 116 CO 0.04 0.97 0.15 -1.22 -1.14 0.00 0.00 176.83 175.63 2h1d n TYR 117 N -4.24 2.08 -3.81 3.45 4.01 -0.41 -5.00 117.16 113.24 2h1d n TYR 117 Ca 0.05 -1.09 -0.37 0.00 -0.16 0.00 0.00 57.90 56.34 2h1d n TYR 117 Cb 0.25 -0.59 0.04 0.00 -0.31 0.00 0.00 39.34 38.73 2h1d n TYR 117 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2h1d n GLY 118 N -0.11 -0.95 3.71 2.72 0.00 -1.03 -4.00 105.19 105.53 2h1d n GLY 118 Ca 0.35 0.42 -0.40 0.00 0.00 0.00 0.00 46.02 46.39 2h1d n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h1d s VAL 119 N -3.47 4.99 -0.02 1.61 1.01 -0.67 -4.81 120.40 119.04 2h1d s VAL 119 Ca 0.48 1.62 0.02 0.00 0.00 0.00 0.00 61.98 64.11 2h1d s VAL 119 Cb -0.20 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.09 2h1d s VAL 119 CO 0.90 0.23 0.84 -0.46 0.00 0.00 0.00 175.10 176.60 2h1d n ASN 120 N 3.80 1.11 -4.68 3.32 0.23 -1.26 -4.93 115.26 112.85 2h1d n ASN 120 Ca 0.01 -1.77 -0.23 0.00 -0.53 0.00 0.00 54.58 52.05 2h1d n ASN 120 Cb 0.51 -0.07 -0.07 0.00 -2.08 0.00 0.00 39.78 38.07 2h1d n ASN 120 CO 0.00 0.00 0.00 0.72 -0.93 0.00 0.00 177.26 177.05 2h1d s PHE 121 N -0.76 2.67 0.19 -2.53 -0.12 -1.26 -5.06 117.98 111.10 2h1d s PHE 121 Ca 0.04 -0.35 -0.32 0.00 -0.05 0.00 0.00 56.93 56.25 2h1d s PHE 121 Cb 0.03 -1.48 -0.11 0.00 -0.63 0.00 0.00 43.02 40.84 2h1d s PHE 121 CO 0.00 0.45 1.62 -2.14 -0.05 0.00 0.00 175.22 175.11 2h1d s PRO 122 N -3.77 4.18 -0.11 1.99 0.02 -1.26 -4.98 135.00 131.07 2h1d s PRO 122 Ca 0.35 2.46 0.03 0.00 0.02 0.00 0.00 61.00 63.86 2h1d s PRO 122 Cb -0.03 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.37 2h1d s PRO 122 CO 0.21 -0.66 -0.23 0.08 -0.33 0.00 0.00 177.00 176.08 2h1d s VAL 123 N 1.09 2.14 0.31 3.83 1.01 -1.26 -1.68 120.40 125.83 2h1d s VAL 123 Ca 0.71 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.79 2h1d s VAL 123 Cb -0.46 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2h1d s VAL 123 CO 0.32 0.55 0.21 0.68 0.00 0.00 0.00 175.10 176.87 2h1d s VAL 124 N 0.47 3.72 -0.35 2.92 -7.23 -0.54 -1.76 120.40 117.63 2h1d s VAL 124 Ca -0.15 -1.48 -0.03 0.00 -1.81 0.00 0.00 61.98 58.51 2h1d s VAL 124 Cb -0.17 -3.19 0.07 0.00 0.56 0.00 0.00 36.38 33.65 2h1d s VAL 124 CO 0.06 -0.25 0.09 -0.76 -0.31 0.00 0.00 175.10 173.93 2h1d s LEU 125 N -3.90 4.47 -1.38 1.32 1.43 -0.86 -1.31 118.68 118.45 2h1d s LEU 125 Ca 0.37 -1.56 -0.15 0.00 -1.03 0.00 0.00 54.13 51.77 2h1d s LEU 125 Cb -0.06 -1.77 0.07 0.00 0.03 0.00 0.00 46.19 44.46 2h1d s LEU 125 CO 0.25 -0.38 2.00 -0.67 0.23 0.00 0.00 176.35 177.78 2h1d n ASP 126 N 4.63 4.40 -0.35 2.29 2.03 -0.49 -4.52 116.55 124.54 2h1d n ASP 126 Ca -0.09 -2.90 -0.01 0.00 0.52 0.00 0.00 54.79 52.31 2h1d n ASP 126 Cb 0.43 -1.66 0.12 0.00 -0.72 0.00 0.00 41.12 39.28 2h1d n ASP 126 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2h1d h THR 127 N 4.46 1.19 -0.36 5.18 1.35 -1.90 -1.72 112.91 121.11 2h1d h THR 127 Ca 0.50 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 2h1d h THR 127 Cb 0.72 -0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.01 2h1d h THR 127 CO 1.70 0.22 0.00 -0.90 -0.25 0.00 0.00 175.52 176.29 2h1d n ASP 128 N -4.47 3.13 -1.21 5.36 5.68 -1.26 -4.65 116.55 119.14 2h1d n ASP 128 Ca 0.12 -1.91 -0.13 0.00 -0.50 0.00 0.00 54.79 52.37 2h1d n ASP 128 Cb 0.06 -0.24 -0.03 0.00 -1.14 0.00 0.00 41.12 39.77 2h1d n ASP 128 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2h1d n ARG 129 N 1.10 -0.96 0.07 0.11 1.74 -0.70 -4.90 116.66 113.12 2h1d n ARG 129 Ca 0.16 0.81 -0.08 0.00 -0.77 0.00 0.00 57.85 57.98 2h1d n ARG 129 Cb 0.50 -4.94 -0.09 0.00 -1.02 0.00 0.00 32.46 26.91 2h1d n ARG 129 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2h1d h GLN 130 N 0.00 0.04 -0.24 5.56 4.15 -1.93 -2.99 115.11 119.69 2h1d h GLN 130 Ca -0.28 -0.07 -0.16 0.00 0.77 0.00 0.00 58.65 58.91 2h1d h GLN 130 Cb 1.01 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.73 2h1d h GLN 130 CO 0.38 0.99 -0.46 0.28 -1.93 0.00 0.00 178.83 178.09 2h1d h VAL 131 N 0.02 1.30 -0.72 2.39 2.07 -1.92 -1.17 116.25 118.21 2h1d h VAL 131 Ca -0.03 -1.67 0.16 0.00 0.82 0.00 0.00 66.70 65.98 2h1d h VAL 131 Cb 1.72 1.74 -0.11 0.00 -1.52 0.00 0.00 31.29 33.13 2h1d h VAL 131 CO 0.13 0.53 0.17 0.25 0.02 0.00 0.00 177.57 178.67 2h1d h LEU 132 N 0.48 -0.00 -0.61 2.57 5.85 -1.95 0.14 115.31 121.78 2h1d h LEU 132 Ca 0.01 0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.73 2h1d h LEU 132 Cb 1.07 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 2h1d h LEU 132 CO 0.10 -0.04 -0.68 0.44 -0.34 0.00 0.00 178.44 177.92 2h1d h ASP 133 N 0.26 0.06 0.18 1.25 3.32 -1.43 -1.39 116.42 118.68 2h1d h ASP 133 Ca 0.40 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.31 2h1d h ASP 133 Cb 0.68 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2h1d h ASP 133 CO -0.51 0.73 -0.37 0.00 -1.72 0.00 0.00 179.24 177.37 2h1d h ALA 134 N 1.27 1.14 -0.00 3.45 0.00 0.19 -2.52 119.26 122.79 2h1d h ALA 134 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2h1d h ALA 134 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2h1d h ALA 134 CO 0.09 0.57 -0.23 0.66 0.00 0.00 0.00 179.25 180.34 2h1d n TYR 135 N -4.06 0.00 -2.85 0.00 4.02 0.31 -4.88 117.16 109.70 2h1d n TYR 135 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.68 2h1d n TYR 135 Cb 0.45 -0.27 0.03 0.00 -0.02 0.00 0.00 39.34 39.53 2h1d n TYR 135 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2h1d n ASP 136 N -1.23 -5.49 -4.75 7.72 2.03 -0.59 -4.95 116.55 109.28 2h1d n ASP 136 Ca 0.09 -0.22 -0.40 0.00 0.52 0.00 0.00 54.79 54.78 2h1d n ASP 136 Cb 0.32 -4.35 -0.05 0.00 -0.72 0.00 0.00 41.12 36.31 2h1d n ASP 136 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2h1d s VAL 137 N -3.07 3.77 0.00 5.18 1.01 -0.80 -5.01 120.40 121.48 2h1d s VAL 137 Ca 0.23 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.99 2h1d s VAL 137 Cb -0.10 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2h1d s VAL 137 CO 0.29 0.42 0.00 -1.54 0.00 0.00 0.00 175.10 174.27 2h1d n SER 138 N 1.37 0.00 -2.30 3.32 3.41 -1.26 -4.91 113.62 113.24 2h1d n SER 138 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2h1d n SER 138 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2h1d n SER 138 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2h1d n PRO 139 N 0.00 0.58 -5.16 4.33 -0.04 -1.26 -5.11 135.00 128.34 2h1d n PRO 139 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 2h1d n PRO 139 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 2h1d n PRO 139 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2h1d s LEU 140 N 0.00 2.04 0.78 1.53 1.43 -1.26 -4.01 118.68 119.19 2h1d s LEU 140 Ca 0.00 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 2h1d s LEU 140 Cb 0.00 -1.22 0.06 0.00 0.03 0.00 0.00 46.19 45.06 2h1d s LEU 140 CO 0.00 0.26 1.09 -2.16 0.23 0.00 0.00 176.35 175.77 2h1d s PRO 141 N -0.38 2.21 -0.01 1.29 0.04 -1.26 -4.99 135.00 131.90 2h1d s PRO 141 Ca 0.04 0.76 -0.02 0.00 0.04 0.00 0.00 61.00 61.83 2h1d s PRO 141 Cb -0.11 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2h1d s PRO 141 CO 0.01 -1.56 0.04 0.99 0.04 0.00 0.00 177.00 176.52 2h1d s THR 142 N -3.09 0.01 -0.08 1.26 2.01 -0.90 -4.42 115.64 110.42 2h1d s THR 142 Ca 0.60 -0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.53 2h1d s THR 142 Cb -0.15 -0.11 -0.00 0.00 0.01 0.00 0.00 72.50 72.25 2h1d s THR 142 CO 0.55 -0.06 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.29 2h1d s THR 143 N -0.17 1.98 -0.17 -0.82 2.01 -0.27 0.02 115.64 118.22 2h1d s THR 143 Ca -0.02 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 60.95 2h1d s THR 143 Cb -0.02 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 2h1d s THR 143 CO 0.00 0.54 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.10 2h1d s PHE 144 N 0.22 3.05 -0.37 4.92 0.40 0.13 0.12 117.98 126.45 2h1d s PHE 144 Ca -0.14 -0.29 -0.15 0.00 -0.60 0.00 0.00 56.93 55.75 2h1d s PHE 144 Cb -0.17 -2.00 0.00 0.00 0.51 0.00 0.00 43.02 41.37 2h1d s PHE 144 CO 0.07 -0.05 0.33 -0.51 0.70 0.00 0.00 175.22 175.76 2h1d s LEU 145 N 0.49 4.69 -0.20 -0.37 1.43 -0.00 -0.99 118.68 123.72 2h1d s LEU 145 Ca -0.02 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2h1d s LEU 145 Cb -0.14 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.82 2h1d s LEU 145 CO 0.02 -0.39 -0.09 -0.63 0.23 0.00 0.00 176.35 175.49 2h1d s ILE 146 N 1.90 2.96 0.93 -0.59 1.01 -0.53 -0.09 121.20 126.79 2h1d s ILE 146 Ca 0.09 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 2h1d s ILE 146 Cb -0.17 -2.32 0.15 0.00 0.01 0.00 0.00 42.46 40.12 2h1d s ILE 146 CO 0.11 0.46 1.12 0.54 0.00 0.00 0.00 174.94 177.18 2h1d s ASN 147 N 1.38 3.33 0.57 3.58 2.20 0.41 0.03 114.94 126.45 2h1d s ASN 147 Ca 0.05 1.06 0.29 0.00 -0.94 0.00 0.00 52.86 53.31 2h1d s ASN 147 Cb -0.14 -1.67 1.47 0.00 -2.00 0.00 0.00 41.25 38.91 2h1d s ASN 147 CO -0.06 -2.67 1.92 -0.65 -2.94 0.00 0.00 177.10 172.70 2h1d h PRO 148 N -1.58 0.00 -0.19 3.55 0.11 -1.76 0.09 132.00 132.22 2h1d h PRO 148 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2h1d h PRO 148 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2h1d h PRO 148 CO 0.60 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 2h1d n GLU 149 N -3.92 1.59 -1.33 1.05 4.71 -1.26 -1.11 120.64 120.37 2h1d n GLU 149 Ca 0.10 -0.91 -0.03 0.00 -0.01 0.00 0.00 57.16 56.32 2h1d n GLU 149 Cb 0.71 -1.31 -0.01 0.00 -1.01 0.00 0.00 31.44 29.82 2h1d n GLU 149 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2h1d n GLY 150 N 1.01 0.49 3.69 0.62 0.00 0.02 -5.03 105.19 105.99 2h1d n GLY 150 Ca 0.13 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 2h1d n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1d s LYS 151 N -2.72 2.55 -0.35 1.61 -0.14 -1.25 -2.54 119.74 116.90 2h1d s LYS 151 Ca 0.00 -0.88 -0.27 0.00 -1.36 0.00 0.00 55.97 53.46 2h1d s LYS 151 Cb 0.00 -2.52 0.02 0.00 -1.68 0.00 0.00 37.83 33.64 2h1d s LYS 151 CO 0.00 0.53 0.99 0.08 -0.76 0.00 0.00 175.35 176.19 2h1d s VAL 152 N -1.39 4.54 -0.09 3.17 1.01 0.38 -0.45 120.40 127.57 2h1d s VAL 152 Ca 0.26 1.41 0.21 0.00 0.00 0.00 0.00 61.98 63.86 2h1d s VAL 152 Cb -0.11 -4.37 -0.28 0.00 0.00 0.00 0.00 36.38 31.61 2h1d s VAL 152 CO 0.19 -0.53 0.45 1.33 0.00 0.00 0.00 175.10 176.54 2h1d n VAL 153 N 5.97 0.43 -3.65 2.92 0.24 0.87 -4.20 118.33 120.90 2h1d n VAL 153 Ca 0.09 -0.60 -0.14 0.00 -2.04 0.00 0.00 64.34 61.66 2h1d n VAL 153 Cb 0.48 -0.17 -0.08 0.00 -1.47 0.00 0.00 33.84 32.60 2h1d n VAL 153 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2h1d s LYS 154 N -3.24 0.77 -0.17 7.34 2.20 -1.21 -5.01 119.74 120.42 2h1d s LYS 154 Ca -0.08 0.87 -0.03 0.00 -0.36 0.00 0.00 55.97 56.37 2h1d s LYS 154 Cb 0.12 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.79 2h1d s LYS 154 CO 0.88 -0.10 -0.05 0.08 -0.36 0.00 0.00 175.35 175.79 2h1d s VAL 155 N 0.26 3.58 -0.17 4.02 1.01 -1.26 -0.82 120.40 127.01 2h1d s VAL 155 Ca -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 2h1d s VAL 155 Cb -0.04 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 2h1d s VAL 155 CO 0.01 0.47 -0.08 -0.69 0.00 0.00 0.00 175.10 174.81 2h1d s VAL 156 N 0.76 3.32 0.39 2.92 1.01 0.12 -4.98 120.40 123.94 2h1d s VAL 156 Ca -0.02 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.49 2h1d s VAL 156 Cb -0.15 -2.45 -0.07 0.00 0.00 0.00 0.00 36.38 33.72 2h1d s VAL 156 CO 0.02 0.48 0.05 0.42 0.00 0.00 0.00 175.10 176.07 2h1d s THR 157 N 0.74 2.23 0.28 3.92 -4.23 -1.26 -1.11 115.64 116.20 2h1d s THR 157 Ca -0.04 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 2h1d s THR 157 Cb -0.15 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.77 2h1d s THR 157 CO 0.02 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 2h1d n GLY 158 N -1.02 -2.02 3.77 3.99 0.00 -1.26 -4.92 105.19 103.72 2h1d n GLY 158 Ca -0.04 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 2h1d n GLY 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h1d s THR 159 N -2.29 2.93 -0.07 2.61 2.01 -1.26 -5.04 115.64 114.53 2h1d s THR 159 Ca 0.00 0.71 0.03 0.00 0.31 0.00 0.00 61.69 62.74 2h1d s THR 159 Cb 0.00 -3.37 0.01 0.00 0.01 0.00 0.00 72.50 69.15 2h1d s THR 159 CO 0.00 0.01 -0.17 -0.04 -0.69 0.00 0.00 174.62 173.73 2h1d s MET 160 N -2.66 2.15 0.81 4.92 1.00 -1.26 -5.12 119.30 119.14 2h1d s MET 160 Ca 0.64 -0.59 -0.11 0.00 0.00 0.00 0.00 55.69 55.63 2h1d s MET 160 Cb -0.31 -1.72 0.10 0.00 0.00 0.00 0.00 34.83 32.91 2h1d s MET 160 CO 0.38 0.10 1.15 0.95 0.00 0.00 0.00 175.02 177.60 2h1d s THR 161 N 0.49 2.09 0.25 2.05 -4.23 -1.26 -4.91 115.64 110.12 2h1d s THR 161 Ca -0.15 -0.11 0.07 0.00 -1.18 0.00 0.00 61.69 60.32 2h1d s THR 161 Cb -0.16 -2.97 -0.05 0.00 1.34 0.00 0.00 72.50 70.66 2h1d s THR 161 CO 0.05 0.00 1.56 -0.08 -0.54 0.00 0.00 174.62 175.62 2h1d h GLU 162 N -1.03 0.10 -0.83 3.99 4.81 -1.98 -1.84 114.58 117.81 2h1d h GLU 162 Ca -0.45 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2h1d h GLU 162 Cb 1.30 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 2h1d h GLU 162 CO 0.57 0.71 0.51 0.77 -0.73 0.00 0.00 179.01 180.83 2h1d h SER 163 N 0.07 0.99 -0.15 1.04 0.02 -1.99 -0.42 113.55 113.11 2h1d h SER 163 Ca -0.01 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2h1d h SER 163 Cb 1.15 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2h1d h SER 163 CO 0.09 0.75 0.09 0.24 -1.14 0.00 0.00 176.83 176.87 2h1d h MET 164 N 1.13 0.21 -0.64 3.45 2.86 -1.84 -2.05 114.93 118.04 2h1d h MET 164 Ca 0.30 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.96 2h1d h MET 164 Cb -0.06 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.51 2h1d h MET 164 CO -0.06 0.18 0.38 0.82 1.06 0.00 0.00 176.91 179.29 2h1d h ILE 165 N 0.17 1.04 0.04 -1.22 2.04 -1.06 0.10 117.51 118.62 2h1d h ILE 165 Ca 0.05 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.69 2h1d h ILE 165 Cb 0.02 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 2h1d h ILE 165 CO -0.01 0.13 -0.29 -0.74 0.00 0.00 0.00 178.15 177.25 2h1d h HIS 166 N 0.73 -0.78 -0.59 1.37 2.76 -0.92 -0.64 115.15 117.08 2h1d h HIS 166 Ca 0.27 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.45 2h1d h HIS 166 Cb 0.08 0.34 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 2h1d h HIS 166 CO -0.06 -0.38 0.33 -0.44 -1.30 0.00 0.00 177.93 176.08 2h1d h ASP 167 N -0.46 0.72 -0.60 3.26 3.32 -0.58 -1.16 116.42 120.92 2h1d h ASP 167 Ca 0.05 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2h1d h ASP 167 Cb 0.52 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2h1d h ASP 167 CO -0.22 0.59 0.31 1.88 -1.72 0.00 0.00 179.24 180.08 2h1d h TYR 168 N 0.79 0.87 -0.27 4.55 0.05 -0.59 -0.10 116.97 122.27 2h1d h TYR 168 Ca 0.21 -0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.81 2h1d h TYR 168 Cb 0.02 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 2h1d h TYR 168 CO -0.02 0.63 -0.45 0.52 -1.05 0.00 0.00 178.16 177.80 2h1d h MET 169 N 0.88 0.70 0.00 4.88 2.86 -0.58 -2.70 114.93 120.97 2h1d h MET 169 Ca 0.22 -0.39 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 2h1d h MET 169 Cb 0.08 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2h1d h MET 169 CO -0.03 1.00 -0.19 -0.91 1.06 0.00 0.00 176.91 177.84 2h1d h ASN 170 N 0.56 0.00 0.27 1.22 2.35 -0.26 -1.97 115.58 117.75 2h1d h ASN 170 Ca 0.04 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 2h1d h ASN 170 Cb 0.99 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 2h1d h ASN 170 CO 0.09 0.19 -0.23 0.25 -1.65 0.00 0.00 177.43 176.09 2h1d h LEU 171 N 0.00 0.00 -2.35 1.61 5.85 -0.71 -3.21 115.31 116.50 2h1d h LEU 171 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2h1d h LEU 171 Cb 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2h1d h LEU 171 CO 0.03 0.23 0.00 2.30 -0.34 0.00 0.00 178.44 180.65 2h1d n ILE 172 N -4.15 0.66 -2.50 4.05 -5.35 -0.90 -5.01 119.36 106.17 2h1d n ILE 172 Ca -0.02 -0.83 -0.39 0.00 -0.27 0.00 0.00 62.75 61.23 2h1d n ILE 172 Cb 0.29 0.70 -0.04 0.00 -1.74 0.00 0.00 39.64 38.84 2h1d n ILE 172 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2h1d s LYS 173 N -0.77 4.54 0.24 6.28 -2.85 -0.79 -3.60 119.74 122.79 2h1d s LYS 173 Ca 0.07 1.73 -0.05 0.00 -1.00 0.00 0.00 55.97 56.71 2h1d s LYS 173 Cb 0.04 -3.05 0.44 0.00 -2.06 0.00 0.00 37.83 33.20 2h1d s LYS 173 CO 0.05 0.14 1.71 -1.35 0.10 0.00 0.00 175.35 176.00 2h1d h PRO 174 N 3.53 0.34 -0.01 1.78 0.11 -1.77 -3.48 132.00 132.51 2h1d h PRO 174 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2h1d h PRO 174 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2h1d h PRO 174 CO 0.66 0.23 0.00 0.41 -0.21 0.00 0.00 178.00 179.08