#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgt n GLY 4 N -1.27 1.07 0.22 0.00 0.00 -0.58 -1.30 105.19 103.34 1wgt n GLY 4 Ca -0.19 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.21 1wgt n GLY 4 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wgt h GLU 5 N 0.00 0.00 0.00 1.61 4.81 -1.94 0.22 114.58 119.28 1wgt h GLU 5 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1wgt h GLU 5 Cb 0.00 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1wgt h GLU 5 CO 0.00 0.00 -0.02 1.96 -0.73 0.00 0.00 179.01 180.22 1wgt h GLN 6 N 0.00 0.00 -0.06 1.92 7.50 -1.89 -2.87 115.11 119.72 1wgt h GLN 6 Ca 0.28 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.36 1wgt h GLN 6 Cb 0.42 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 27.86 1wgt h GLN 6 CO -0.59 0.02 -0.61 0.41 -1.50 0.00 0.00 178.83 176.55 1wgt n GLY 7 N -0.78 4.57 3.70 3.46 0.00 -0.15 -4.72 105.19 111.28 1wgt n GLY 7 Ca -0.02 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 1wgt n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wgt n SER 8 N -0.84 -5.31 0.00 1.61 3.41 -0.77 -2.91 113.62 108.81 1wgt n SER 8 Ca 0.19 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 1wgt n SER 8 Cb 0.78 -3.16 0.00 0.00 -0.26 0.00 0.00 64.21 61.57 1wgt n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgt n GLY 9 N -1.73 0.45 3.68 5.00 0.00 0.59 -4.94 105.19 108.25 1wgt n GLY 9 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1wgt n GLY 9 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wgt n MET 10 N -1.70 1.37 -4.37 1.61 0.00 -1.14 -4.65 117.12 108.23 1wgt n MET 10 Ca 0.00 0.51 -0.28 0.00 0.00 0.00 0.00 57.70 57.93 1wgt n MET 10 Cb 0.09 -2.37 -0.13 0.00 0.00 0.00 0.00 33.22 30.82 1wgt n MET 10 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1wgt s GLU 11 N -2.74 1.36 0.41 2.12 2.02 -1.26 -1.53 118.70 119.09 1wgt s GLU 11 Ca 0.72 -1.34 -0.22 0.00 0.02 0.00 0.00 54.97 54.15 1wgt s GLU 11 Cb -0.44 -1.79 -0.10 0.00 0.10 0.00 0.00 34.13 31.91 1wgt s GLU 11 CO 0.49 0.42 0.99 0.00 0.02 0.00 0.00 175.26 177.18 1wgt s PRO 13 N -2.82 2.16 -1.59 0.00 0.04 -1.26 -4.17 135.00 127.36 1wgt s PRO 13 Ca 0.60 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 63.30 1wgt s PRO 13 Cb -0.15 -1.83 0.11 0.00 0.04 0.00 0.00 34.50 32.66 1wgt s PRO 13 CO 0.20 -1.83 0.81 0.09 0.04 0.00 0.00 177.00 176.31 1wgt n ASN 14 N -2.64 -3.39 -2.05 6.66 5.03 -1.26 -1.72 115.26 115.89 1wgt n ASN 14 Ca 0.14 -0.92 -0.11 0.00 0.87 0.00 0.00 54.58 54.56 1wgt n ASN 14 Cb 0.50 -3.26 -0.02 0.00 -1.02 0.00 0.00 39.78 35.98 1wgt n ASN 14 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1wgt n ASN 15 N -2.78 -3.43 -4.70 6.41 3.02 -1.26 -4.98 115.26 107.54 1wgt n ASN 15 Ca -0.00 0.24 -0.34 0.00 -0.03 0.00 0.00 54.58 54.45 1wgt n ASN 15 Cb 0.54 -3.04 0.11 0.00 -0.61 0.00 0.00 39.78 36.78 1wgt n ASN 15 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wgt s LEU 16 N -4.83 3.24 0.01 3.41 1.02 -0.70 -0.66 118.68 120.18 1wgt s LEU 16 Ca 0.00 2.43 -0.11 0.00 0.02 0.00 0.00 54.13 56.47 1wgt s LEU 16 Cb 0.00 -4.60 -0.05 0.00 0.02 0.00 0.00 46.19 41.56 1wgt s LEU 16 CO 0.00 -2.52 0.34 0.00 0.02 0.00 0.00 176.35 174.20 1wgt s SER 19 N 1.66 3.55 0.63 0.00 1.04 -0.21 0.54 113.70 120.90 1wgt s SER 19 Ca 0.20 1.30 0.27 0.00 0.48 0.00 0.00 55.95 58.20 1wgt s SER 19 Cb -0.15 -1.97 1.37 0.00 0.10 0.00 0.00 66.02 65.37 1wgt s SER 19 CO 0.11 -2.57 1.79 0.06 0.98 0.00 0.00 173.24 173.61 1wgt h GLN 20 N -1.50 0.00 -0.13 4.02 3.07 -1.72 -2.29 115.11 116.55 1wgt h GLN 20 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.24 1wgt h GLN 20 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 1wgt h GLN 20 CO 0.58 0.00 0.00 0.66 0.09 0.00 0.00 178.83 180.16 1wgt n TYR 21 N -3.24 0.14 -0.71 0.06 4.01 -1.26 -4.97 117.16 111.19 1wgt n TYR 21 Ca 0.04 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1wgt n TYR 21 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 1wgt n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wgt n GLY 22 N 1.36 0.77 3.42 2.72 0.00 -0.86 -4.93 105.19 107.67 1wgt n GLY 22 Ca 0.16 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 1wgt n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wgt s TYR 23 N -2.00 2.37 0.05 1.61 2.02 -1.26 -2.03 117.35 118.11 1wgt s TYR 23 Ca 0.00 -0.35 -0.25 0.00 -0.37 0.00 0.00 57.07 56.11 1wgt s TYR 23 Cb 0.00 -1.26 -0.06 0.00 -0.40 0.00 0.00 41.96 40.24 1wgt s TYR 23 CO 0.00 0.37 0.75 0.00 -1.57 0.00 0.00 175.55 175.10 1wgt n GLY 25 N 2.34 0.67 3.10 0.00 0.00 -0.75 -4.94 105.19 105.61 1wgt n GLY 25 Ca -0.03 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1wgt n GLY 25 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wgt s MET 26 N 0.38 0.65 0.00 1.61 1.75 -1.26 -0.57 119.30 121.86 1wgt s MET 26 Ca 0.00 -0.95 0.00 0.00 -1.25 0.00 0.00 55.69 53.49 1wgt s MET 26 Cb 0.00 -0.31 0.00 0.00 2.84 0.00 0.00 34.83 37.36 1wgt s MET 26 CO 0.00 0.04 0.00 0.41 -0.65 0.00 0.00 175.02 174.82 1wgt n GLY 27 N 0.98 2.30 0.34 2.11 0.00 -1.26 -4.64 105.19 105.03 1wgt n GLY 27 Ca -0.19 -2.14 0.12 0.00 0.00 0.00 0.00 46.02 43.80 1wgt n GLY 27 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wgt h GLY 28 N 0.00 0.41 2.00 -0.02 0.00 -2.00 0.27 103.07 103.73 1wgt h GLY 28 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1wgt h GLY 28 CO 0.00 0.09 0.00 -0.55 0.00 0.00 0.00 176.54 176.08 1wgt h ASP 29 N 0.31 0.00 0.00 0.19 3.32 -1.97 -0.96 116.42 117.30 1wgt h ASP 29 Ca 0.22 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 1wgt h ASP 29 Cb 0.47 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1wgt h ASP 29 CO -0.05 0.00 -1.56 -1.22 -1.72 0.00 0.00 179.24 174.69 1wgt n TYR 30 N -2.75 0.00 0.14 4.55 4.02 -0.03 -4.72 117.16 118.38 1wgt n TYR 30 Ca 0.01 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.96 1wgt n TYR 30 Cb 0.25 -0.38 0.05 0.00 -0.02 0.00 0.00 39.34 39.24 1wgt n TYR 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wgt n GLY 32 N 1.21 -1.68 3.75 0.00 0.00 -0.37 -1.78 105.19 106.32 1wgt n GLY 32 Ca 0.01 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 1wgt n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wgt s LYS 33 N 0.00 4.13 0.00 1.61 2.36 -1.26 -2.13 119.74 124.45 1wgt s LYS 33 Ca 0.00 2.55 0.00 0.00 -2.55 0.00 0.00 55.97 55.97 1wgt s LYS 33 Cb 0.00 -3.02 0.00 0.00 -1.05 0.00 0.00 37.83 33.76 1wgt s LYS 33 CO 0.00 -0.59 0.00 0.41 1.55 0.00 0.00 175.35 176.72 1wgt n GLY 34 N 1.88 0.76 3.69 5.54 0.00 -1.26 -4.61 105.19 111.19 1wgt n GLY 34 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 1wgt n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgt h GLN 36 N 7.24 0.14 -2.34 0.00 4.20 -0.13 -3.47 115.11 120.75 1wgt h GLN 36 Ca -0.45 -0.24 0.19 0.00 0.06 0.00 0.00 58.65 58.20 1wgt h GLN 36 Cb 1.24 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 29.04 1wgt h GLN 36 CO 0.93 0.88 0.57 0.54 -0.67 0.00 0.00 178.83 181.08 1wgt s ASN 37 N -6.61 -0.07 0.00 1.46 6.03 -1.25 -4.95 114.94 109.54 1wgt s ASN 37 Ca -0.11 -0.51 0.00 0.00 -1.03 0.00 0.00 52.86 51.21 1wgt s ASN 37 Cb 0.07 0.46 0.00 0.00 -3.03 0.00 0.00 41.25 38.75 1wgt s ASN 37 CO 0.81 -0.88 0.00 0.61 -2.03 0.00 0.00 177.10 175.61 1wgt n GLY 38 N -0.59 -1.75 2.39 0.45 0.00 -1.26 -0.66 105.19 103.77 1wgt n GLY 38 Ca -0.05 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 1wgt n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgt n ALA 39 N 0.36 4.27 -1.76 4.61 0.00 0.17 -4.94 120.51 123.21 1wgt n ALA 39 Ca 0.00 -1.42 -0.39 0.00 0.00 0.00 0.00 53.44 51.63 1wgt n ALA 39 Cb 0.00 -2.59 0.02 0.00 0.00 0.00 0.00 19.45 16.88 1wgt n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgt h TRP 41 N 2.24 0.00 -3.72 0.00 4.06 -1.63 -3.32 115.95 113.58 1wgt h TRP 41 Ca -0.51 0.00 -0.69 0.00 2.06 0.00 0.00 58.89 59.76 1wgt h TRP 41 Cb 1.27 0.00 -0.32 0.00 -1.00 0.00 0.00 29.16 29.11 1wgt h TRP 41 CO 0.50 0.44 -0.66 0.99 -3.56 0.00 0.00 178.44 176.15 1wgt s THR 42 N -3.67 3.27 0.39 1.49 2.01 -1.26 -5.08 115.64 112.79 1wgt s THR 42 Ca -0.01 -1.35 -0.26 0.00 0.31 0.00 0.00 61.69 60.38 1wgt s THR 42 Cb 0.12 -2.90 -0.09 0.00 0.01 0.00 0.00 72.50 69.64 1wgt s THR 42 CO 0.71 -0.17 1.26 -0.44 -0.69 0.00 0.00 174.62 175.29 1wgt s SER 43 N 1.35 6.47 0.72 3.53 0.01 -1.25 -4.99 113.70 119.54 1wgt s SER 43 Ca -0.03 2.57 -0.15 0.00 1.31 0.00 0.00 55.95 59.65 1wgt s SER 43 Cb -0.20 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.43 1wgt s SER 43 CO 0.00 -0.73 1.19 -0.54 0.41 0.00 0.00 173.24 173.57 1wgt s LYS 44 N -2.15 2.24 0.40 12.44 3.01 -1.26 -4.72 119.74 129.69 1wgt s LYS 44 Ca 0.55 1.69 -0.05 0.00 -1.01 0.00 0.00 55.97 57.15 1wgt s LYS 44 Cb -0.36 -1.85 -0.04 0.00 -1.01 0.00 0.00 37.83 34.56 1wgt s LYS 44 CO 0.47 -1.75 0.69 1.03 0.51 0.00 0.00 175.35 176.30 1wgt s ARG 45 N -3.95 3.60 0.31 1.68 1.81 -1.26 -1.09 118.95 120.05 1wgt s ARG 45 Ca 0.73 0.11 -0.18 0.00 -1.72 0.00 0.00 55.73 54.67 1wgt s ARG 45 Cb -0.28 -2.49 0.06 0.00 -0.45 0.00 0.00 34.95 31.80 1wgt s ARG 45 CO 0.45 -0.02 0.89 0.00 -0.68 0.00 0.00 175.30 175.94 1wgt n GLY 47 N -0.60 0.44 0.26 0.00 0.00 -0.37 -2.46 105.19 102.45 1wgt n GLY 47 Ca -0.06 -0.84 0.06 0.00 0.00 0.00 0.00 46.02 45.17 1wgt n GLY 47 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wgt h SER 48 N 5.24 0.14 0.59 1.61 4.64 -1.92 -0.37 113.55 123.48 1wgt h SER 48 Ca 0.00 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1wgt h SER 48 Cb 0.00 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1wgt h SER 48 CO 0.00 0.16 -0.37 1.56 -0.87 0.00 0.00 176.83 177.31 1wgt h GLN 49 N 0.16 0.00 -1.04 4.77 7.50 -1.92 -3.26 115.11 121.31 1wgt h GLN 49 Ca 0.04 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.63 1wgt h GLN 49 Cb 0.08 0.00 -0.43 0.00 0.05 0.00 0.00 27.48 27.19 1wgt h GLN 49 CO -0.00 0.37 -0.79 0.00 -1.50 0.00 0.00 178.83 176.91 1wgt n ALA 50 N -2.37 5.03 -1.86 3.87 0.00 -0.43 -4.95 120.51 119.81 1wgt n ALA 50 Ca -0.01 -3.99 -0.12 0.00 0.00 0.00 0.00 53.44 49.32 1wgt n ALA 50 Cb 0.45 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 1wgt n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wgt n GLY 51 N -0.62 0.45 1.73 0.00 0.00 -1.15 -2.35 105.19 103.26 1wgt n GLY 51 Ca 0.42 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1wgt n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgt n GLY 52 N -1.24 0.77 3.75 -0.02 0.00 -0.28 -5.02 105.19 103.17 1wgt n GLY 52 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1wgt n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wgt s LYS 53 N -0.35 4.14 0.40 1.61 2.20 -0.99 -4.67 119.74 122.08 1wgt s LYS 53 Ca 0.00 2.54 -0.03 0.00 -0.36 0.00 0.00 55.97 58.12 1wgt s LYS 53 Cb 0.00 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1wgt s LYS 53 CO 0.00 -0.59 0.67 0.95 -0.36 0.00 0.00 175.35 176.02 1wgt s THR 54 N -0.21 4.99 0.08 3.43 -4.23 -1.26 -1.24 115.64 117.20 1wgt s THR 54 Ca 0.61 -0.04 -0.28 0.00 -1.18 0.00 0.00 61.69 60.79 1wgt s THR 54 Cb -0.47 -3.84 -0.05 0.00 1.34 0.00 0.00 72.50 69.48 1wgt s THR 54 CO 0.50 -0.66 0.88 0.00 -0.54 0.00 0.00 174.62 174.80 1wgt n PRO 56 N 2.86 -0.29 -2.40 0.00 -0.04 -1.26 -3.81 135.00 130.05 1wgt n PRO 56 Ca 0.01 -0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.27 1wgt n PRO 56 Cb 0.50 -1.96 -0.01 0.00 -0.04 0.00 0.00 33.50 31.99 1wgt n PRO 56 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wgt n ASN 57 N -1.84 -4.66 -2.74 3.54 4.13 -1.26 -2.42 115.26 110.01 1wgt n ASN 57 Ca 0.08 0.12 -0.21 0.00 1.68 0.00 0.00 54.58 56.25 1wgt n ASN 57 Cb 0.53 -3.93 0.02 0.00 -1.54 0.00 0.00 39.78 34.86 1wgt n ASN 57 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1wgt n ASN 58 N -1.86 -5.99 -4.85 6.41 3.02 -1.25 -4.96 115.26 105.79 1wgt n ASN 58 Ca -0.18 -0.19 -0.32 0.00 -0.03 0.00 0.00 54.58 53.85 1wgt n ASN 58 Cb 0.64 -4.87 -0.05 0.00 -0.61 0.00 0.00 39.78 34.89 1wgt n ASN 58 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1wgt s HIS 59 N -3.12 3.39 0.37 3.10 3.76 -1.02 -4.37 115.29 117.41 1wgt s HIS 59 Ca 0.19 1.31 -0.21 0.00 -0.15 0.00 0.00 55.06 56.20 1wgt s HIS 59 Cb -0.09 -2.63 -0.10 0.00 1.11 0.00 0.00 32.58 30.87 1wgt s HIS 59 CO 0.24 -0.08 0.90 0.00 -0.85 0.00 0.00 174.74 174.95 1wgt s SER 62 N 1.67 1.85 0.53 0.00 1.04 -0.96 -0.45 113.70 117.39 1wgt s SER 62 Ca 0.05 0.82 0.31 0.00 0.48 0.00 0.00 55.95 57.62 1wgt s SER 62 Cb -0.17 -1.23 1.46 0.00 0.10 0.00 0.00 66.02 66.18 1wgt s SER 62 CO 0.08 -3.57 2.04 0.06 0.98 0.00 0.00 173.24 172.84 1wgt h GLN 63 N -2.20 0.00 -0.02 4.02 3.07 -1.81 -1.42 115.11 116.76 1wgt h GLN 63 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 1wgt h GLN 63 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 1wgt h GLN 63 CO 0.45 0.09 -0.04 0.66 0.09 0.00 0.00 178.83 180.09 1wgt n TYR 64 N -3.37 0.00 -1.81 0.06 4.01 -1.26 -4.98 117.16 109.80 1wgt n TYR 64 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1wgt n TYR 64 Cb 0.27 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 1wgt n TYR 64 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wgt n GLY 65 N 1.22 0.51 3.03 2.72 0.00 -0.53 -4.94 105.19 107.19 1wgt n GLY 65 Ca 0.17 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 1wgt n GLY 65 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wgt s HIS 66 N -2.89 0.17 -0.02 1.61 3.76 -1.26 -2.76 115.29 113.90 1wgt s HIS 66 Ca 0.00 -0.36 -0.12 0.00 -0.15 0.00 0.00 55.06 54.43 1wgt s HIS 66 Cb 0.00 -0.13 -0.05 0.00 1.11 0.00 0.00 32.58 33.51 1wgt s HIS 66 CO 0.00 -0.22 0.33 0.00 -0.85 0.00 0.00 174.74 174.00 1wgt n GLY 68 N 1.73 -0.56 3.20 0.00 0.00 -0.04 -4.66 105.19 104.85 1wgt n GLY 68 Ca -0.15 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 1wgt n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wgt s PHE 69 N -3.08 1.09 0.00 1.61 0.08 -1.26 -1.51 117.98 114.90 1wgt s PHE 69 Ca 0.00 -1.23 0.00 0.00 0.12 0.00 0.00 56.93 55.82 1wgt s PHE 69 Cb 0.00 -0.59 0.00 0.00 -0.57 0.00 0.00 43.02 41.86 1wgt s PHE 69 CO 0.00 -0.47 0.00 0.41 -0.10 0.00 0.00 175.22 175.06 1wgt n GLY 70 N -0.21 1.51 0.24 4.36 0.00 -1.26 -4.59 105.19 105.24 1wgt n GLY 70 Ca -0.03 -2.03 0.02 0.00 0.00 0.00 0.00 46.02 43.98 1wgt n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgt h ALA 71 N 0.00 0.72 0.00 4.61 0.00 -2.00 0.89 119.26 123.49 1wgt h ALA 71 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1wgt h ALA 71 Cb 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1wgt h ALA 71 CO 0.00 -0.34 -0.03 0.93 0.00 0.00 0.00 179.25 179.81 1wgt h GLU 72 N 0.21 0.00 0.00 0.00 3.07 -1.93 0.28 114.58 116.21 1wgt h GLU 72 Ca 0.34 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.05 1wgt h GLU 72 Cb 0.53 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 1wgt h GLU 72 CO -0.46 0.03 -1.37 0.66 -1.40 0.00 0.00 179.01 176.46 1wgt n TYR 73 N -3.20 0.22 0.26 4.33 4.01 -0.69 -4.62 117.16 117.47 1wgt n TYR 73 Ca -0.01 0.10 0.12 0.00 -0.16 0.00 0.00 57.90 57.94 1wgt n TYR 73 Cb 0.20 -0.73 0.13 0.00 -0.31 0.00 0.00 39.34 38.63 1wgt n TYR 73 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wgt n GLY 75 N 1.18 0.91 3.73 0.00 0.00 0.99 -0.66 105.19 111.34 1wgt n GLY 75 Ca 0.03 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1wgt n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgt s ALA 76 N -3.95 3.79 0.00 4.61 0.00 -1.26 -2.00 121.76 122.95 1wgt s ALA 76 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1wgt s ALA 76 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1wgt s ALA 76 CO 0.00 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.28 1wgt n GLY 77 N 3.01 1.09 3.69 0.00 0.00 -1.26 -4.65 105.19 107.07 1wgt n GLY 77 Ca 0.11 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.61 1wgt n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgt n GLN 79 N 5.80 2.26 -3.52 0.00 10.64 0.40 -4.95 117.38 128.01 1wgt n GLN 79 Ca 0.24 -2.05 -0.07 0.00 -1.83 0.00 0.00 57.00 53.28 1wgt n GLN 79 Cb 0.22 -1.40 -0.02 0.00 -0.86 0.00 0.00 30.24 28.19 1wgt n GLN 79 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1wgt s GLY 80 N -1.20 -0.43 0.00 2.61 0.00 -1.18 -4.93 107.32 102.20 1wgt s GLY 80 Ca 0.31 1.15 0.00 0.00 0.00 0.00 0.00 44.72 46.18 1wgt s GLY 80 CO 0.24 0.38 0.00 0.61 0.00 0.00 0.00 173.10 174.33 1wgt n GLY 81 N -0.21 -1.82 2.73 0.20 0.00 -1.26 -1.61 105.19 103.22 1wgt n GLY 81 Ca -0.07 -1.63 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 1wgt n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgt n PRO 82 N 0.00 1.88 -1.09 1.61 -0.04 -1.26 -4.94 135.00 131.16 1wgt n PRO 82 Ca 0.00 -1.50 -0.34 0.00 -0.04 0.00 0.00 63.50 61.62 1wgt n PRO 82 Cb 0.00 -2.53 0.12 0.00 -0.04 0.00 0.00 33.50 31.05 1wgt n PRO 82 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wgt h ARG 84 N -0.92 0.00 -6.68 0.00 3.08 -1.17 -3.42 114.38 105.27 1wgt h ARG 84 Ca -0.46 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.09 1wgt h ARG 84 Cb 1.30 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.32 1wgt h ARG 84 CO 0.45 0.33 0.18 0.00 -1.07 0.00 0.00 179.97 179.86 1wgt s ALA 85 N -3.65 3.34 0.33 0.04 0.00 -1.26 -5.02 121.76 115.54 1wgt s ALA 85 Ca 0.00 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 1wgt s ALA 85 Cb 0.11 -2.93 -0.10 0.00 0.00 0.00 0.00 23.12 20.20 1wgt s ALA 85 CO 0.67 0.28 1.33 -0.51 0.00 0.00 0.00 175.76 177.53 1wgt s ASP 86 N -1.68 6.72 -0.13 0.00 1.01 -1.26 -5.01 116.67 116.32 1wgt s ASP 86 Ca 0.46 2.73 -0.03 0.00 0.71 0.00 0.00 52.55 56.41 1wgt s ASP 86 Cb -0.17 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.08 1wgt s ASP 86 CO 0.21 -0.57 -0.00 -0.63 0.21 0.00 0.00 175.17 174.38 1wgt s ILE 87 N -1.11 4.23 0.44 0.77 1.09 -1.26 -5.03 121.20 120.33 1wgt s ILE 87 Ca 0.50 -0.26 0.04 0.00 -1.10 0.00 0.00 60.65 59.83 1wgt s ILE 87 Cb -0.41 -2.83 0.01 0.00 -1.06 0.00 0.00 42.46 38.18 1wgt s ILE 87 CO 0.54 0.54 0.62 -0.54 -0.10 0.00 0.00 174.94 176.00 1wgt s LYS 88 N -0.23 2.89 0.10 2.79 1.02 -1.26 -1.23 119.74 123.82 1wgt s LYS 88 Ca 0.05 -0.87 -0.26 0.00 0.02 0.00 0.00 55.97 54.91 1wgt s LYS 88 Cb -0.12 -2.66 0.09 0.00 -0.52 0.00 0.00 37.83 34.61 1wgt s LYS 88 CO 0.02 -0.30 1.10 0.00 -0.92 0.00 0.00 175.35 175.26 1wgt n GLY 90 N -0.60 -1.55 0.32 0.00 0.00 0.01 -2.71 105.19 100.66 1wgt n GLY 90 Ca -0.04 -1.34 0.16 0.00 0.00 0.00 0.00 46.02 44.80 1wgt n GLY 90 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wgt h SER 91 N 0.00 0.00 0.06 1.61 4.64 -1.90 0.85 113.55 118.80 1wgt h SER 91 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wgt h SER 91 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1wgt h SER 91 CO 0.00 0.00 -0.03 1.56 -0.87 0.00 0.00 176.83 177.49 1wgt h GLN 92 N 0.00 -0.08 -1.76 4.77 7.50 -1.95 -3.29 115.11 120.31 1wgt h GLN 92 Ca 0.07 0.01 -0.41 0.00 0.50 0.00 0.00 58.65 58.82 1wgt h GLN 92 Cb 0.38 0.02 -0.16 0.00 0.05 0.00 0.00 27.48 27.77 1wgt h GLN 92 CO -0.00 0.43 0.39 0.00 -1.50 0.00 0.00 178.83 178.15 1wgt n ALA 93 N -2.43 5.84 -3.71 3.87 0.00 -0.29 -4.78 120.51 119.01 1wgt n ALA 93 Ca -0.09 -2.38 -0.24 0.00 0.00 0.00 0.00 53.44 50.74 1wgt n ALA 93 Cb 0.28 -1.79 0.05 0.00 0.00 0.00 0.00 19.45 17.99 1wgt n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wgt n GLY 94 N 0.64 -0.40 2.51 0.00 0.00 -1.12 -2.55 105.19 104.27 1wgt n GLY 94 Ca 0.40 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 46.45 1wgt n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgt n GLY 95 N -1.61 1.42 3.75 -0.02 0.00 0.28 -4.95 105.19 104.06 1wgt n GLY 95 Ca -0.15 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 1wgt n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wgt s LYS 96 N -3.12 2.82 0.02 1.61 -0.14 -1.06 -4.59 119.74 115.27 1wgt s LYS 96 Ca 0.00 1.69 -0.01 0.00 -1.36 0.00 0.00 55.97 56.28 1wgt s LYS 96 Cb 0.00 -1.92 -0.04 0.00 -1.68 0.00 0.00 37.83 34.19 1wgt s LYS 96 CO 0.00 -1.29 0.18 -0.48 -0.76 0.00 0.00 175.35 173.00 1wgt s LEU 97 N -4.43 4.31 0.56 3.17 -0.00 -1.26 -0.81 118.68 120.24 1wgt s LEU 97 Ca 0.74 0.30 -0.18 0.00 -0.00 0.00 0.00 54.13 54.98 1wgt s LEU 97 Cb -0.27 -2.70 -0.05 0.00 -0.00 0.00 0.00 46.19 43.18 1wgt s LEU 97 CO 0.36 0.23 1.09 0.00 -0.00 0.00 0.00 176.35 178.03 1wgt s PRO 99 N -3.60 3.56 -1.44 0.00 0.02 -1.26 -4.26 135.00 128.02 1wgt s PRO 99 Ca 0.68 1.43 -0.09 0.00 0.02 0.00 0.00 61.00 63.04 1wgt s PRO 99 Cb -0.20 -2.05 0.03 0.00 0.02 0.00 0.00 34.50 32.30 1wgt s PRO 99 CO 0.30 -0.64 0.98 0.09 -0.33 0.00 0.00 177.00 177.40 1wgt n ASN 100 N -1.26 -5.92 -1.92 2.53 4.13 -1.26 -2.43 115.26 109.13 1wgt n ASN 100 Ca 0.10 -0.52 -0.21 0.00 1.68 0.00 0.00 54.58 55.63 1wgt n ASN 100 Cb 0.52 -4.70 -0.06 0.00 -1.54 0.00 0.00 39.78 34.00 1wgt n ASN 100 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1wgt n ASN 101 N -2.83 -5.60 -4.80 6.41 3.02 -1.26 -4.98 115.26 105.21 1wgt n ASN 101 Ca -0.01 0.30 -0.32 0.00 -0.03 0.00 0.00 54.58 54.52 1wgt n ASN 101 Cb 0.57 -4.83 0.05 0.00 -0.61 0.00 0.00 39.78 34.95 1wgt n ASN 101 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wgt s LEU 102 N -5.25 3.22 0.05 3.41 1.43 -1.02 -2.05 118.68 118.48 1wgt s LEU 102 Ca 0.00 1.73 -0.19 0.00 -1.03 0.00 0.00 54.13 54.64 1wgt s LEU 102 Cb 0.00 -4.51 -0.06 0.00 0.03 0.00 0.00 46.19 41.64 1wgt s LEU 102 CO 0.00 -1.49 0.54 0.00 0.23 0.00 0.00 176.35 175.63 1wgt s SER 105 N 2.10 0.96 0.52 0.00 1.04 -0.20 -0.82 113.70 117.31 1wgt s SER 105 Ca 0.17 1.62 0.34 0.00 0.48 0.00 0.00 55.95 58.55 1wgt s SER 105 Cb -0.17 -2.37 1.50 0.00 0.10 0.00 0.00 66.02 65.09 1wgt s SER 105 CO 0.15 -4.23 2.01 0.06 0.98 0.00 0.00 173.24 172.21 1wgt h GLN 106 N -2.64 0.00 -0.00 4.02 3.07 -1.80 -2.50 115.11 115.26 1wgt h GLN 106 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.14 1wgt h GLN 106 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.89 1wgt h GLN 106 CO 0.49 0.00 -0.02 0.91 0.09 0.00 0.00 178.83 180.30 1wgt n TRP 107 N -2.94 0.00 -0.41 0.06 5.03 -1.26 -4.90 117.44 113.02 1wgt n TRP 107 Ca 0.00 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 1wgt n TRP 107 Cb 0.24 -0.10 0.00 0.00 -1.03 0.00 0.00 31.31 30.42 1wgt n TRP 107 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1wgt n GLY 108 N 1.13 0.76 3.44 6.99 0.00 -0.94 -5.01 105.19 111.57 1wgt n GLY 108 Ca 0.20 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1wgt n GLY 108 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wgt s TYR 109 N -2.00 2.44 -0.25 1.61 2.02 -1.26 -1.02 117.35 118.89 1wgt s TYR 109 Ca 0.00 -0.31 -0.27 0.00 -0.37 0.00 0.00 57.07 56.11 1wgt s TYR 109 Cb 0.00 -1.31 0.00 0.00 -0.40 0.00 0.00 41.96 40.26 1wgt s TYR 109 CO 0.00 0.36 0.95 0.00 -1.57 0.00 0.00 175.55 175.29 1wgt n GLY 111 N 3.58 3.49 3.20 0.00 0.00 0.67 -4.74 105.19 111.38 1wgt n GLY 111 Ca 0.09 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 1wgt n GLY 111 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wgt s LEU 112 N 0.00 -0.02 0.00 0.99 2.96 -1.26 -0.29 118.68 121.06 1wgt s LEU 112 Ca 0.00 0.79 0.00 0.00 -0.22 0.00 0.00 54.13 54.70 1wgt s LEU 112 Cb 0.00 1.15 0.00 0.00 0.50 0.00 0.00 46.19 47.84 1wgt s LEU 112 CO 0.00 -0.19 0.00 0.61 -1.32 0.00 0.00 176.35 175.45 1wgt n GLY 113 N 4.40 2.37 0.41 7.98 0.00 -1.26 -4.86 105.19 114.22 1wgt n GLY 113 Ca -0.22 -1.87 0.21 0.00 0.00 0.00 0.00 46.02 44.14 1wgt n GLY 113 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wgt h SER 114 N 0.00 0.19 0.41 1.61 4.64 -2.00 0.23 113.55 118.64 1wgt h SER 114 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1wgt h SER 114 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1wgt h SER 114 CO 0.00 0.09 0.00 -0.33 -0.87 0.00 0.00 176.83 175.72 1wgt h GLU 115 N 0.20 0.00 0.00 4.77 3.07 -1.97 0.12 114.58 120.76 1wgt h GLU 115 Ca 0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1wgt h GLU 115 Cb 1.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1wgt h GLU 115 CO -0.07 0.00 -0.88 1.19 -1.40 0.00 0.00 179.01 177.84 1wgt n PHE 116 N -2.30 0.00 1.20 4.33 3.72 -0.47 -4.75 117.46 119.18 1wgt n PHE 116 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1wgt n PHE 116 Cb 0.15 0.02 0.41 0.00 -0.94 0.00 0.00 39.48 39.12 1wgt n PHE 116 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wgt n GLY 118 N 1.38 0.67 3.74 0.00 0.00 0.03 -0.70 105.19 110.32 1wgt n GLY 118 Ca 0.10 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1wgt n GLY 118 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wgt n GLU 119 N 0.00 2.33 0.00 1.61 4.07 -1.26 -1.22 120.64 126.18 1wgt n GLU 119 Ca 0.00 0.82 0.00 0.00 -0.06 0.00 0.00 57.16 57.92 1wgt n GLU 119 Cb 0.00 -2.53 0.00 0.00 -0.06 0.00 0.00 31.44 28.85 1wgt n GLU 119 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1wgt n GLY 120 N 0.61 3.06 3.68 8.31 0.00 -1.26 -4.62 105.19 114.97 1wgt n GLY 120 Ca 0.04 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.55 1wgt n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgt h GLN 122 N 7.61 0.22 -2.27 0.00 4.20 -1.20 -3.48 115.11 120.19 1wgt h GLN 122 Ca -0.47 -0.38 0.17 0.00 0.06 0.00 0.00 58.65 58.03 1wgt h GLN 122 Cb 1.29 0.14 -0.10 0.00 0.30 0.00 0.00 27.48 29.11 1wgt h GLN 122 CO 0.92 1.05 0.51 0.54 -0.67 0.00 0.00 178.83 181.18 1wgt s ASN 123 N -6.87 -0.21 0.00 1.46 2.20 -1.25 -4.94 114.94 105.32 1wgt s ASN 123 Ca -0.13 -0.30 0.00 0.00 -0.94 0.00 0.00 52.86 51.50 1wgt s ASN 123 Cb 0.07 0.44 0.00 0.00 -2.00 0.00 0.00 41.25 39.76 1wgt s ASN 123 CO 0.82 -0.80 0.00 0.61 -2.94 0.00 0.00 177.10 174.79 1wgt n GLY 124 N -0.42 -0.87 2.13 0.45 0.00 -1.26 -1.79 105.19 103.43 1wgt n GLY 124 Ca -0.07 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.30 1wgt n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgt n ALA 125 N 2.14 5.97 -2.01 4.61 0.00 -0.87 -4.91 120.51 125.43 1wgt n ALA 125 Ca 0.00 -1.94 -0.42 0.00 0.00 0.00 0.00 53.44 51.08 1wgt n ALA 125 Cb 0.00 -2.53 -0.03 0.00 0.00 0.00 0.00 19.45 16.90 1wgt n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgt n SER 127 N 3.83 0.00 0.15 0.00 7.64 0.13 -3.96 113.62 121.40 1wgt n SER 127 Ca 0.12 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1wgt n SER 127 Cb 0.40 -0.22 0.21 0.00 -1.01 0.00 0.00 64.21 63.59 1wgt n SER 127 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1wgt h THR 128 N 0.00 1.34 -5.61 0.44 1.35 -1.87 -3.48 112.91 105.08 1wgt h THR 128 Ca 0.00 -1.96 -0.29 0.00 -0.55 0.00 0.00 66.41 63.60 1wgt h THR 128 Cb 0.17 2.08 0.17 0.00 -1.73 0.00 0.00 68.15 68.84 1wgt h THR 128 CO 0.00 0.55 -0.86 -0.67 -0.25 0.00 0.00 175.52 174.29 1wgt n ASP 129 N -3.78 -5.59 -4.75 5.36 2.03 -1.25 -4.95 116.55 103.62 1wgt n ASP 129 Ca -0.01 -0.74 -0.41 0.00 0.52 0.00 0.00 54.79 54.15 1wgt n ASP 129 Cb 0.58 -4.91 -0.03 0.00 -0.72 0.00 0.00 41.12 36.04 1wgt n ASP 129 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1wgt s LYS 130 N -4.81 4.51 0.55 -0.67 -0.14 -1.26 -4.97 119.74 112.94 1wgt s LYS 130 Ca 0.38 1.90 -0.20 0.00 -1.36 0.00 0.00 55.97 56.68 1wgt s LYS 130 Cb -0.06 -3.21 -0.05 0.00 -1.68 0.00 0.00 37.83 32.82 1wgt s LYS 130 CO 0.76 -0.03 1.20 -2.14 -0.76 0.00 0.00 175.35 174.38 1wgt s PRO 131 N -0.67 3.25 0.34 -1.68 0.02 -1.26 -4.57 135.00 130.43 1wgt s PRO 131 Ca 0.51 1.82 0.01 0.00 0.02 0.00 0.00 61.00 63.35 1wgt s PRO 131 Cb -0.33 -2.09 -0.00 0.00 0.02 0.00 0.00 34.50 32.09 1wgt s PRO 131 CO 0.39 -0.98 0.05 0.00 -0.33 0.00 0.00 177.00 176.13 1wgt n GLY 133 N 0.38 -1.99 0.35 0.00 0.00 -0.12 -3.87 105.19 99.94 1wgt n GLY 133 Ca -0.11 -1.39 0.25 0.00 0.00 0.00 0.00 46.02 44.78 1wgt n GLY 133 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1wgt h LYS 134 N 0.00 0.29 0.00 1.61 2.10 -1.91 0.11 116.57 118.78 1wgt h LYS 134 Ca 0.00 -0.02 -0.09 0.00 -2.00 0.00 0.00 60.65 58.54 1wgt h LYS 134 Cb 0.00 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.25 1wgt h LYS 134 CO 0.00 0.19 -0.45 -0.44 -2.00 0.00 0.00 179.45 176.75 1wgt h ASP 135 N 0.30 0.00 -2.26 7.07 3.32 -1.97 -3.38 116.42 119.51 1wgt h ASP 135 Ca 0.74 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 57.20 1wgt h ASP 135 Cb 1.76 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 40.89 1wgt h ASP 135 CO -0.58 0.45 -0.65 0.00 -1.72 0.00 0.00 179.24 176.74 1wgt n ALA 136 N -2.44 4.46 -0.46 3.45 0.00 0.25 -4.90 120.51 120.88 1wgt n ALA 136 Ca -0.02 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.75 1wgt n ALA 136 Cb 0.48 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1wgt n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wgt n GLY 137 N 0.00 0.10 0.93 0.00 0.00 -1.24 -0.79 105.19 104.19 1wgt n GLY 137 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1wgt n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgt n GLY 138 N -2.00 0.73 3.77 -0.02 0.00 -0.39 -5.00 105.19 102.28 1wgt n GLY 138 Ca 0.00 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 1wgt n GLY 138 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wgt s ARG 139 N -0.82 3.89 0.23 1.61 3.52 0.03 -4.63 118.95 122.78 1wgt s ARG 139 Ca 0.00 2.18 0.08 0.00 -0.13 0.00 0.00 55.73 57.87 1wgt s ARG 139 Cb 0.00 -2.71 -0.04 0.00 -1.56 0.00 0.00 34.95 30.64 1wgt s ARG 139 CO 0.00 -0.57 0.01 0.14 -0.81 0.00 0.00 175.30 174.07 1wgt s VAL 140 N -1.27 3.62 0.78 7.11 -7.23 -1.26 -0.95 120.40 121.21 1wgt s VAL 140 Ca 0.58 -1.68 -0.11 0.00 -1.81 0.00 0.00 61.98 58.96 1wgt s VAL 140 Cb -0.39 -2.89 0.06 0.00 0.56 0.00 0.00 36.38 33.72 1wgt s VAL 140 CO 0.49 -0.26 1.08 0.00 -0.31 0.00 0.00 175.10 176.10 1wgt s THR 142 N -3.03 4.09 -1.59 0.00 -4.23 -1.26 -4.39 115.64 105.23 1wgt s THR 142 Ca 0.61 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 61.35 1wgt s THR 142 Cb -0.16 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.07 1wgt s THR 142 CO 0.55 -0.67 0.00 0.59 -0.54 0.00 0.00 174.62 174.55 1wgt n ASN 143 N -2.58 -4.91 -1.90 3.99 4.13 -1.26 -2.21 115.26 110.52 1wgt n ASN 143 Ca 0.04 0.23 -0.15 0.00 1.68 0.00 0.00 54.58 56.38 1wgt n ASN 143 Cb 0.56 -3.92 -0.04 0.00 -1.54 0.00 0.00 39.78 34.85 1wgt n ASN 143 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1wgt n ASN 144 N -0.83 -4.23 -4.75 6.41 5.15 -1.26 -4.96 115.26 110.79 1wgt n ASN 144 Ca -0.18 0.26 -0.37 0.00 -0.60 0.00 0.00 54.58 53.69 1wgt n ASN 144 Cb 0.58 -3.72 0.03 0.00 -0.53 0.00 0.00 39.78 36.15 1wgt n ASN 144 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1wgt s TYR 145 N -2.50 2.39 -0.02 1.20 2.02 -0.94 -0.84 117.35 118.66 1wgt s TYR 145 Ca 0.00 1.45 -0.29 0.00 -0.37 0.00 0.00 57.07 57.86 1wgt s TYR 145 Cb 0.00 -3.65 -0.03 0.00 -0.40 0.00 0.00 41.96 37.88 1wgt s TYR 145 CO 0.00 -2.51 0.94 0.00 -1.57 0.00 0.00 175.55 172.41 1wgt s SER 148 N 1.90 2.94 0.56 0.00 1.04 0.62 -0.65 113.70 120.10 1wgt s SER 148 Ca 0.28 0.65 0.31 0.00 0.48 0.00 0.00 55.95 57.68 1wgt s SER 148 Cb -0.13 -0.98 1.66 0.00 0.10 0.00 0.00 66.02 66.66 1wgt s SER 148 CO 0.18 -2.87 2.14 0.07 0.98 0.00 0.00 173.24 173.73 1wgt h LYS 149 N -1.73 0.00 -0.17 4.02 2.10 -1.58 -1.55 116.57 117.66 1wgt h LYS 149 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1wgt h LYS 149 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1wgt h LYS 149 CO 0.49 0.07 0.00 -2.67 -2.00 0.00 0.00 179.45 175.34 1wgt n TRP 150 N -3.51 0.22 -2.46 0.07 4.27 -1.26 -4.92 117.44 109.85 1wgt n TRP 150 Ca -0.02 -0.11 -0.03 0.00 -3.89 0.00 0.00 57.50 53.46 1wgt n TRP 150 Cb 0.20 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.16 1wgt n TRP 150 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1wgt n GLY 151 N 1.00 0.62 3.20 -1.67 0.00 -0.58 -4.97 105.19 102.79 1wgt n GLY 151 Ca 0.13 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1wgt n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgt s SER 152 N -3.08 1.93 0.03 1.61 0.01 -1.26 -2.61 113.70 110.34 1wgt s SER 152 Ca 0.04 -0.58 -0.12 0.00 1.31 0.00 0.00 55.95 56.60 1wgt s SER 152 Cb -0.02 -0.10 -0.06 0.00 0.21 0.00 0.00 66.02 66.06 1wgt s SER 152 CO 0.09 0.00 0.40 0.00 0.41 0.00 0.00 173.24 174.14 1wgt n GLY 154 N 1.43 -1.41 2.95 0.00 0.00 0.06 -4.95 105.19 103.28 1wgt n GLY 154 Ca -0.12 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 1wgt n GLY 154 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wgt s ILE 155 N -2.32 0.85 0.00 -0.61 1.01 -1.26 -0.77 121.20 118.10 1wgt s ILE 155 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1wgt s ILE 155 Cb 0.00 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.65 1wgt s ILE 155 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1wgt n GLY 156 N 4.00 2.98 0.24 6.18 0.00 -1.26 -4.89 105.19 112.44 1wgt n GLY 156 Ca -0.23 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.08 1wgt n GLY 156 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgt h PRO 157 N 0.00 0.55 0.00 1.61 0.13 -1.98 0.12 132.00 132.42 1wgt h PRO 157 Ca 0.00 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1wgt h PRO 157 Cb 0.00 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.00 1wgt h PRO 157 CO 0.00 0.36 -0.04 0.78 -0.23 0.00 0.00 178.00 178.87 1wgt h GLY 158 N 0.57 0.00 0.14 1.56 0.00 -1.98 -1.13 103.07 102.22 1wgt h GLY 158 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.28 1wgt h GLY 158 CO -0.21 0.00 -1.87 -1.72 0.00 0.00 0.00 176.54 172.75 1wgt n TYR 159 N -3.87 0.72 1.12 5.60 4.01 -0.56 -4.61 117.16 119.56 1wgt n TYR 159 Ca -0.03 0.25 0.12 0.00 -0.16 0.00 0.00 57.90 58.08 1wgt n TYR 159 Cb 0.13 -1.08 0.22 0.00 -0.31 0.00 0.00 39.34 38.31 1wgt n TYR 159 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wgt n GLY 161 N 1.41 0.86 3.65 0.00 0.00 -0.44 0.73 105.19 111.39 1wgt n GLY 161 Ca 0.09 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1wgt n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgt s ALA 162 N -3.57 3.41 0.00 4.61 0.00 -1.26 -1.18 121.76 123.76 1wgt s ALA 162 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1wgt s ALA 162 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1wgt s ALA 162 CO 0.00 -1.81 0.00 0.41 0.00 0.00 0.00 175.76 174.36 1wgt n GLY 163 N 4.75 0.54 3.65 0.00 0.00 -1.26 -4.58 105.19 108.29 1wgt n GLY 163 Ca 0.22 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 1wgt n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgt h GLN 165 N 7.99 0.00 -1.52 0.00 4.20 -1.10 -3.48 115.11 121.20 1wgt h GLN 165 Ca -0.23 0.00 0.29 0.00 0.06 0.00 0.00 58.65 58.78 1wgt h GLN 165 Cb 1.08 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.72 1wgt h GLN 165 CO 0.99 0.36 0.80 -1.54 -0.67 0.00 0.00 178.83 178.77 1wgt s SER 166 N -6.38 -0.09 0.00 1.46 1.04 -1.25 -5.00 113.70 103.48 1wgt s SER 166 Ca 0.05 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1wgt s SER 166 Cb 0.07 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1wgt s SER 166 CO 0.72 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.23 1wgt n GLY 167 N -0.37 -1.78 2.79 7.32 0.00 -1.26 -1.19 105.19 110.70 1wgt n GLY 167 Ca -0.06 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1wgt n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgt n GLY 168 N 0.00 4.34 3.77 -0.02 0.00 -0.02 -4.90 105.19 108.37 1wgt n GLY 168 Ca 0.00 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 1wgt n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgt s ASP 170 N -4.05 3.90 0.00 0.00 1.01 0.22 -5.01 116.67 112.74 1wgt s ASP 170 Ca 0.65 -2.16 0.00 0.00 0.71 0.00 0.00 52.55 51.76 1wgt s ASP 170 Cb -0.14 -1.00 0.00 0.00 1.01 0.00 0.00 42.92 42.79 1wgt s ASP 170 CO 0.54 -0.34 0.00 0.61 0.21 0.00 0.00 175.17 176.19