#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mem s PRO 2 N 0.00 -2.02 0.04 0.00 0.02 -1.26 -4.97 135.00 126.81 1mem s PRO 2 Ca 0.00 0.10 0.23 0.00 0.02 0.00 0.00 61.00 61.35 1mem s PRO 2 Cb 0.00 -1.49 0.11 0.00 0.02 0.00 0.00 34.50 33.14 1mem s PRO 2 CO 0.00 -4.27 1.09 -0.25 -0.33 0.00 0.00 177.00 173.24 1mem n ASP 3 N -5.19 0.64 -3.71 2.53 8.00 -1.26 -4.89 116.55 112.66 1mem n ASP 3 Ca 0.12 -0.28 -0.12 0.00 0.71 0.00 0.00 54.79 55.22 1mem n ASP 3 Cb 0.59 0.69 -0.10 0.00 -0.02 0.00 0.00 41.12 42.29 1mem n ASP 3 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1mem s SER 4 N -3.69 -0.49 -0.01 -2.24 0.01 -1.26 -4.35 113.70 101.67 1mem s SER 4 Ca 0.05 0.89 -0.00 0.00 1.31 0.00 0.00 55.95 58.20 1mem s SER 4 Cb 0.15 0.83 0.01 0.00 0.21 0.00 0.00 66.02 67.22 1mem s SER 4 CO 0.79 -0.17 0.02 -0.69 0.41 0.00 0.00 173.24 173.60 1mem s VAL 5 N 0.88 -0.02 -0.32 3.43 1.01 -0.43 -4.98 120.40 119.97 1mem s VAL 5 Ca -0.05 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1mem s VAL 5 Cb -0.06 -0.05 0.12 0.00 0.00 0.00 0.00 36.38 36.39 1mem s VAL 5 CO -0.07 0.03 0.20 -0.62 0.00 0.00 0.00 175.10 174.64 1mem s ASP 6 N 0.36 2.93 0.59 3.32 -1.08 -1.26 -1.60 116.67 119.93 1mem s ASP 6 Ca -0.03 -1.63 0.39 0.00 -0.52 0.00 0.00 52.55 50.76 1mem s ASP 6 Cb -0.04 -0.21 2.08 0.00 -1.46 0.00 0.00 42.92 43.29 1mem s ASP 6 CO -0.01 -0.37 2.20 1.88 0.52 0.00 0.00 175.17 179.39 1mem h TYR 7 N 7.71 0.00 -0.63 -5.34 0.05 -1.75 -0.86 116.97 116.16 1mem h TYR 7 Ca -0.07 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 1mem h TYR 7 Cb 1.00 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.71 1mem h TYR 7 CO 0.35 0.00 0.32 0.00 -1.05 0.00 0.00 178.16 177.78 1mem h ARG 8 N 0.00 0.89 0.00 4.88 3.08 -1.93 -1.26 114.38 120.04 1mem h ARG 8 Ca 0.00 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1mem h ARG 8 Cb 0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1mem h ARG 8 CO 0.00 0.70 -0.20 0.87 -1.07 0.00 0.00 179.97 180.27 1mem h LYS 9 N 0.86 0.00 -0.22 0.04 1.57 -1.55 -2.32 116.57 114.95 1mem h LYS 9 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1mem h LYS 9 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1mem h LYS 9 CO -0.03 0.20 0.00 1.63 -0.57 0.00 0.00 179.45 180.68 1mem n LYS 10 N -3.95 1.91 -1.59 3.15 5.02 -0.56 -4.95 118.16 117.20 1mem n LYS 10 Ca -0.02 -1.38 -0.07 0.00 -2.02 0.00 0.00 58.31 54.82 1mem n LYS 10 Cb 0.28 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 1mem n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mem n GLY 11 N 1.21 0.58 0.89 0.72 0.00 -0.74 -4.93 105.19 102.93 1mem n GLY 11 Ca 0.17 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.64 1mem n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1mem n TYR 12 N -3.29 0.12 -5.12 1.61 4.02 -0.72 -4.84 117.16 108.95 1mem n TYR 12 Ca -0.08 -0.06 -0.31 0.00 -0.01 0.00 0.00 57.90 57.45 1mem n TYR 12 Cb 0.37 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.52 1mem n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1mem s VAL 13 N -1.88 1.90 0.70 -0.72 1.01 -1.26 -3.98 120.40 116.18 1mem s VAL 13 Ca 0.32 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 1mem s VAL 13 Cb 0.21 -1.65 0.05 0.00 0.00 0.00 0.00 36.38 34.99 1mem s VAL 13 CO 0.31 0.53 1.04 0.42 0.00 0.00 0.00 175.10 177.39 1mem s THR 14 N 0.32 2.68 0.82 3.92 -4.23 -1.26 -4.96 115.64 112.92 1mem s THR 14 Ca -0.16 -0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.17 1mem s THR 14 Cb -0.17 -3.16 0.07 0.00 1.34 0.00 0.00 72.50 70.58 1mem s THR 14 CO 0.07 -0.19 1.09 -2.65 -0.54 0.00 0.00 174.62 172.41 1mem n PRO 15 N -2.95 0.12 -2.07 3.99 -0.02 -1.26 -4.93 135.00 127.88 1mem n PRO 15 Ca 0.07 0.11 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 1mem n PRO 15 Cb 0.59 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1mem n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1mem s VAL 16 N -2.15 2.87 0.45 -1.45 1.01 -1.26 -5.02 120.40 114.84 1mem s VAL 16 Ca 0.71 0.70 0.07 0.00 0.00 0.00 0.00 61.98 63.46 1mem s VAL 16 Cb -0.29 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1mem s VAL 16 CO 0.53 0.10 0.36 -0.54 0.00 0.00 0.00 175.10 175.54 1mem s LYS 17 N 0.03 2.39 -0.11 2.72 -0.14 -1.26 -4.67 119.74 118.71 1mem s LYS 17 Ca 0.60 -1.73 0.00 0.00 -1.36 0.00 0.00 55.97 53.49 1mem s LYS 17 Cb -0.40 -2.23 0.02 0.00 -1.68 0.00 0.00 37.83 33.54 1mem s LYS 17 CO 0.39 -0.31 -0.09 1.21 -0.76 0.00 0.00 175.35 175.79 1mem s ASN 18 N -4.14 2.16 0.30 2.83 3.04 -1.26 -1.72 114.94 116.15 1mem s ASN 18 Ca 0.43 -0.32 0.26 0.00 0.04 0.00 0.00 52.86 53.27 1mem s ASN 18 Cb -0.02 -0.88 0.94 0.00 -1.54 0.00 0.00 41.25 39.76 1mem s ASN 18 CO 0.25 -0.08 1.76 0.06 -3.04 0.00 0.00 177.10 176.05 1mem h GLN 19 N 7.92 0.00 0.00 0.43 3.07 -1.45 -3.47 115.11 121.61 1mem h GLN 19 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.43 1mem h GLN 19 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.70 1mem h GLN 19 CO 0.43 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.76 1mem n GLY 20 N 0.46 0.89 0.16 0.06 0.00 -1.26 -3.31 105.19 102.19 1mem n GLY 20 Ca 0.03 -0.80 0.13 0.00 0.00 0.00 0.00 46.02 45.38 1mem n GLY 20 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1mem h GLN 21 N 0.00 0.00 -6.24 1.61 4.20 -1.94 -3.45 115.11 109.29 1mem h GLN 21 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 1mem h GLN 21 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1mem h GLN 21 CO 0.00 0.00 0.59 0.00 -0.67 0.00 0.00 178.83 178.75 1mem n GLY 23 N 3.12 2.59 1.56 0.00 0.00 -1.07 -4.58 105.19 106.81 1mem n GLY 23 Ca 0.09 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 1mem n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mem n SER 24 N 2.53 3.39 -0.31 1.61 3.41 -1.26 -4.09 113.62 118.90 1mem n SER 24 Ca 0.33 -2.74 0.19 0.00 -0.26 0.00 0.00 58.87 56.39 1mem n SER 24 Cb 0.72 -0.66 0.46 0.00 -0.26 0.00 0.00 64.21 64.47 1mem n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mem h TRP 26 N 0.50 0.87 -0.38 0.00 5.08 -1.80 -0.40 115.95 119.82 1mem h TRP 26 Ca 0.56 0.01 -0.11 0.00 1.08 0.00 0.00 58.89 60.43 1mem h TRP 26 Cb 1.26 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 27.12 1mem h TRP 26 CO -0.00 0.57 -0.19 0.00 -1.28 0.00 0.00 178.44 177.54 1mem h ALA 27 N 1.54 0.54 -0.39 0.11 0.00 -0.94 -0.77 119.26 119.35 1mem h ALA 27 Ca 0.25 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1mem h ALA 27 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1mem h ALA 27 CO -0.05 0.48 -0.37 0.74 0.00 0.00 0.00 179.25 180.05 1mem h PHE 28 N 0.60 1.12 -0.30 0.00 -1.00 -1.21 -1.01 116.94 115.14 1mem h PHE 28 Ca 0.08 -0.33 0.01 0.00 2.81 0.00 0.00 57.97 60.55 1mem h PHE 28 Cb 0.74 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 40.05 1mem h PHE 28 CO 0.06 1.16 0.17 1.03 -1.61 0.00 0.00 178.31 179.12 1mem h SER 29 N 0.77 0.28 0.01 2.17 0.87 -0.97 -1.39 113.55 115.29 1mem h SER 29 Ca 0.07 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1mem h SER 29 Cb 0.96 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 1mem h SER 29 CO 0.09 0.21 -0.04 0.28 -0.53 0.00 0.00 176.83 176.84 1mem h SER 30 N 0.36 -0.12 -0.21 6.23 0.02 -0.89 -2.56 113.55 116.36 1mem h SER 30 Ca 0.12 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1mem h SER 30 Cb -0.00 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1mem h SER 30 CO -0.05 -0.07 -0.04 -0.37 -1.14 0.00 0.00 176.83 175.16 1mem h VAL 31 N -0.08 1.21 -0.73 2.27 -1.51 -1.11 -1.89 116.25 114.41 1mem h VAL 31 Ca 0.02 -0.86 -0.03 0.00 -1.23 0.00 0.00 66.70 64.59 1mem h VAL 31 Cb 0.10 1.00 -0.03 0.00 -2.13 0.00 0.00 31.29 30.22 1mem h VAL 31 CO -0.04 0.29 0.34 1.23 -1.23 0.00 0.00 177.57 178.17 1mem h GLY 32 N 0.87 1.12 1.21 5.19 0.00 -1.01 0.24 103.07 110.68 1mem h GLY 32 Ca 0.10 -0.55 -0.18 0.00 0.00 0.00 0.00 47.33 46.70 1mem h GLY 32 CO 0.02 0.52 -0.55 0.00 0.00 0.00 0.00 176.54 176.52 1mem h ALA 33 N 1.34 0.50 -0.57 3.60 0.00 -1.04 -2.44 119.26 120.65 1mem h ALA 33 Ca 0.25 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1mem h ALA 33 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1mem h ALA 33 CO -0.03 0.68 0.00 -0.07 0.00 0.00 0.00 179.25 179.84 1mem h LEU 34 N 0.63 0.98 -1.20 0.00 3.38 -0.94 -2.49 115.31 115.67 1mem h LEU 34 Ca 0.01 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1mem h LEU 34 Cb 1.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1mem h LEU 34 CO 0.12 1.04 0.17 -0.33 0.09 0.00 0.00 178.44 179.53 1mem h GLU 35 N 0.88 0.72 -0.29 1.13 5.08 -0.45 0.39 114.58 122.04 1mem h GLU 35 Ca 0.16 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1mem h GLU 35 Cb 0.54 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1mem h GLU 35 CO 0.03 0.62 0.00 0.78 -1.00 0.00 0.00 179.01 179.44 1mem h GLY 36 N 0.88 0.55 1.33 -3.84 0.00 -1.14 -1.83 103.07 99.02 1mem h GLY 36 Ca 0.17 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 1mem h GLY 36 CO -0.01 0.37 -0.07 1.46 0.00 0.00 0.00 176.54 178.29 1mem h GLN 37 N 0.30 0.80 0.08 4.80 1.08 -1.03 -1.56 115.11 119.58 1mem h GLN 37 Ca 0.08 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 57.03 1mem h GLN 37 Cb 0.42 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1mem h GLN 37 CO 0.01 0.85 -0.04 1.25 -0.95 0.00 0.00 178.83 179.96 1mem h LEU 38 N 0.73 -0.09 -0.36 1.46 5.85 -0.83 0.20 115.31 122.27 1mem h LEU 38 Ca 0.13 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1mem h LEU 38 Cb 0.55 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.54 1mem h LEU 38 CO 0.03 -0.02 0.00 0.50 -0.34 0.00 0.00 178.44 178.62 1mem h LYS 39 N -0.15 0.10 -0.19 1.25 1.63 -1.18 0.35 116.57 118.38 1mem h LYS 39 Ca -0.01 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1mem h LYS 39 Cb 0.12 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1mem h LYS 39 CO 0.02 0.07 -0.03 -0.22 -3.45 0.00 0.00 179.45 175.83 1mem h LYS 40 N 0.10 0.27 0.18 1.90 3.64 -0.85 0.38 116.57 122.20 1mem h LYS 40 Ca 0.18 -0.05 -0.35 0.00 -1.27 0.00 0.00 60.65 59.16 1mem h LYS 40 Cb 0.24 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1mem h LYS 40 CO -0.29 0.33 -1.76 0.87 -2.27 0.00 0.00 179.45 176.33 1mem h LYS 41 N 0.27 0.38 0.00 1.90 1.57 0.10 -3.40 116.57 117.39 1mem h LYS 41 Ca 0.06 -0.65 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1mem h LYS 41 Cb 0.24 0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1mem h LYS 41 CO 0.01 1.30 -0.49 0.25 -0.57 0.00 0.00 179.45 179.95 1mem n THR 42 N -3.58 0.00 -0.98 -0.16 -2.24 0.11 -4.99 114.28 102.45 1mem n THR 42 Ca -0.25 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1mem n THR 42 Cb 1.07 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 70.24 1mem n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mem n GLY 43 N 1.27 0.95 3.65 3.38 0.00 0.13 -5.01 105.19 109.56 1mem n GLY 43 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1mem n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mem s LYS 44 N -0.02 2.86 -0.22 1.61 0.00 -1.26 -4.98 119.74 117.73 1mem s LYS 44 Ca 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 55.97 55.43 1mem s LYS 44 Cb 0.00 -2.70 -0.01 0.00 0.00 0.00 0.00 37.83 35.12 1mem s LYS 44 CO 0.00 0.68 -0.03 -1.17 0.00 0.00 0.00 175.35 174.82 1mem s LEU 45 N -0.99 2.95 0.10 2.77 2.96 -1.26 -3.10 118.68 122.11 1mem s LEU 45 Ca 0.14 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1mem s LEU 45 Cb -0.11 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1mem s LEU 45 CO 0.03 -0.01 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.18 1mem s LEU 46 N 1.45 2.41 -0.19 -0.68 1.43 -1.26 -5.10 118.68 116.73 1mem s LEU 46 Ca 0.05 -0.81 -0.25 0.00 -1.03 0.00 0.00 54.13 52.09 1mem s LEU 46 Cb -0.14 -0.34 -0.01 0.00 0.03 0.00 0.00 46.19 45.72 1mem s LEU 46 CO -0.02 -0.24 0.83 0.20 0.23 0.00 0.00 176.35 177.34 1mem s ASN 47 N -2.45 6.91 0.38 2.29 0.01 -1.26 -4.86 114.94 115.96 1mem s ASN 47 Ca 0.06 1.12 -0.01 0.00 -0.71 0.00 0.00 52.86 53.33 1mem s ASN 47 Cb -0.03 -2.45 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 1mem s ASN 47 CO 0.00 -0.43 0.60 -0.76 -1.51 0.00 0.00 177.10 175.01 1mem s LEU 48 N 2.35 3.91 -0.46 0.60 1.43 -1.26 -0.83 118.68 124.42 1mem s LEU 48 Ca 0.37 0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 53.81 1mem s LEU 48 Cb -0.16 -3.41 0.04 0.00 0.03 0.00 0.00 46.19 42.69 1mem s LEU 48 CO 0.11 -0.38 0.51 -0.94 0.23 0.00 0.00 176.35 175.88 1mem s SER 49 N -4.06 6.21 0.44 2.29 1.04 -0.65 -4.25 113.70 114.72 1mem s SER 49 Ca 0.42 -0.80 0.10 0.00 0.48 0.00 0.00 55.95 56.15 1mem s SER 49 Cb -0.10 -2.25 0.96 0.00 0.10 0.00 0.00 66.02 64.73 1mem s SER 49 CO 0.38 -0.71 2.06 1.55 0.98 0.00 0.00 173.24 177.50 1mem h PRO 50 N 8.83 0.35 -0.29 4.02 0.13 -1.86 -1.84 132.00 141.33 1mem h PRO 50 Ca -0.27 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 1mem h PRO 50 Cb 1.10 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 1mem h PRO 50 CO 0.87 0.27 0.14 0.37 -0.23 0.00 0.00 178.00 179.41 1mem h GLN 51 N 0.35 0.40 -0.87 0.86 5.75 -1.87 0.97 115.11 120.71 1mem h GLN 51 Ca 0.09 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1mem h GLN 51 Cb 0.02 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 1mem h GLN 51 CO -0.01 0.32 0.53 -0.97 -2.65 0.00 0.00 178.83 176.05 1mem h ASN 52 N 0.41 1.04 -0.01 -0.69 -0.73 -1.56 -1.41 115.58 112.63 1mem h ASN 52 Ca 0.10 -0.06 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 1mem h ASN 52 Cb 0.05 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.38 1mem h ASN 52 CO -0.01 0.79 -0.03 -0.07 -0.37 0.00 0.00 177.43 177.74 1mem h LEU 53 N 1.20 0.05 -1.48 0.34 3.38 -0.92 -1.78 115.31 116.10 1mem h LEU 53 Ca 0.31 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1mem h LEU 53 Cb -0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1mem h LEU 53 CO -0.06 0.65 0.30 -0.37 0.09 0.00 0.00 178.44 179.05 1mem h VAL 54 N -0.55 1.13 0.13 1.22 -1.51 -0.84 -1.53 116.25 114.31 1mem h VAL 54 Ca -0.00 -0.28 -0.28 0.00 -1.23 0.00 0.00 66.70 64.91 1mem h VAL 54 Cb 0.64 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 1mem h VAL 54 CO 0.01 0.14 -1.27 0.44 -1.23 0.00 0.00 177.57 175.66 1mem h ASP 55 N 0.66 0.44 0.00 4.19 3.32 -1.31 -3.39 116.42 120.33 1mem h ASP 55 Ca 0.18 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1mem h ASP 55 Cb -0.04 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1mem h ASP 55 CO -0.03 1.37 -1.50 0.00 -1.72 0.00 0.00 179.24 177.36 1mem s VAL 57 N -3.20 4.50 0.50 0.00 1.01 -0.60 -4.84 120.40 117.78 1mem s VAL 57 Ca -0.01 -1.23 0.19 0.00 0.00 0.00 0.00 61.98 60.93 1mem s VAL 57 Cb 0.14 -4.82 0.26 0.00 0.00 0.00 0.00 36.38 31.96 1mem s VAL 57 CO 0.85 -1.59 2.12 0.77 0.00 0.00 0.00 175.10 177.24 1mem h SER 58 N 9.13 0.00 0.89 3.32 4.64 -1.89 -1.15 113.55 128.50 1mem h SER 58 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1mem h SER 58 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1mem h SER 58 CO 1.18 0.07 0.00 -0.33 -0.87 0.00 0.00 176.83 176.88 1mem h GLU 59 N 0.00 0.00 -6.52 4.77 3.07 -1.95 -3.44 114.58 110.51 1mem h GLU 59 Ca -0.00 0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 58.40 1mem h GLU 59 Cb 0.13 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.06 1mem h GLU 59 CO 0.01 0.00 -0.19 -0.80 -1.40 0.00 0.00 179.01 176.63 1mem s ASN 60 N -4.79 5.36 -0.35 1.42 0.01 -0.44 -4.97 114.94 111.18 1mem s ASN 60 Ca 0.04 -0.65 0.07 0.00 -0.71 0.00 0.00 52.86 51.61 1mem s ASN 60 Cb 0.09 -0.18 0.53 0.00 0.41 0.00 0.00 41.25 42.10 1mem s ASN 60 CO 0.46 -1.04 1.58 0.47 -1.51 0.00 0.00 177.10 177.06 1mem n ASP 61 N -2.03 3.29 0.00 -1.22 8.00 0.58 -4.97 116.55 120.20 1mem n ASP 61 Ca 0.11 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.85 1mem n ASP 61 Cb 0.60 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1mem n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mem n GLY 62 N -1.09 3.76 0.00 0.44 0.00 -1.24 -0.59 105.19 106.48 1mem n GLY 62 Ca 0.42 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.65 1mem n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mem n GLY 64 N 0.77 0.98 0.00 0.00 0.00 0.24 -2.59 105.19 104.60 1mem n GLY 64 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1mem n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mem n GLY 65 N 1.10 2.13 0.00 -0.02 0.00 -1.14 -4.84 105.19 102.43 1mem n GLY 65 Ca 0.14 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1mem n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mem n GLY 66 N 0.35 -1.40 3.29 -0.02 0.00 -1.26 -0.30 105.19 105.85 1mem n GLY 66 Ca 0.00 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 1mem n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mem s TYR 67 N -2.74 1.77 0.20 1.61 2.02 -1.26 -4.81 117.35 114.13 1mem s TYR 67 Ca 0.00 -0.44 -0.04 0.00 -0.37 0.00 0.00 57.07 56.22 1mem s TYR 67 Cb 0.00 -0.95 0.14 0.00 -0.40 0.00 0.00 41.96 40.75 1mem s TYR 67 CO 0.00 0.24 1.55 0.52 -1.57 0.00 0.00 175.55 176.28 1mem h MET 68 N 3.83 0.65 -0.95 -0.62 2.86 -1.97 -3.07 114.93 115.66 1mem h MET 68 Ca -0.45 -0.35 0.01 0.00 -2.06 0.00 0.00 59.70 56.86 1mem h MET 68 Cb 1.19 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.82 1mem h MET 68 CO 0.43 0.95 0.63 1.79 1.06 0.00 0.00 176.91 181.77 1mem h THR 69 N 0.52 1.24 -0.42 2.22 1.35 -1.97 -0.86 112.91 115.00 1mem h THR 69 Ca 0.04 -0.44 -0.05 0.00 -0.55 0.00 0.00 66.41 65.41 1mem h THR 69 Cb 0.96 -0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.21 1mem h THR 69 CO 0.09 0.23 0.03 0.78 -0.25 0.00 0.00 175.52 176.41 1mem h ASN 70 N 1.28 0.61 -0.29 5.36 -0.26 -1.98 -1.50 115.58 118.81 1mem h ASN 70 Ca 0.35 -0.12 -0.05 0.00 -0.56 0.00 0.00 56.30 55.92 1mem h ASN 70 Cb -0.14 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 36.95 1mem h ASN 70 CO -0.08 0.66 -0.00 0.00 -1.06 0.00 0.00 177.43 176.95 1mem h ALA 71 N 1.42 0.39 -0.40 -0.83 0.00 -1.17 -1.61 119.26 117.06 1mem h ALA 71 Ca 0.13 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1mem h ALA 71 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1mem h ALA 71 CO 0.01 0.14 0.26 0.74 0.00 0.00 0.00 179.25 180.39 1mem h PHE 72 N 0.30 0.49 -0.47 0.00 0.04 -0.91 -1.12 116.94 115.27 1mem h PHE 72 Ca 0.08 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.91 1mem h PHE 72 Cb 0.44 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 38.38 1mem h PHE 72 CO 0.04 0.30 0.21 1.96 -0.60 0.00 0.00 178.31 180.22 1mem h GLN 73 N 0.53 0.40 -0.57 1.51 4.20 -1.19 -0.40 115.11 119.59 1mem h GLN 73 Ca 0.15 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.84 1mem h GLN 73 Cb -0.05 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1mem h GLN 73 CO -0.04 0.27 0.37 -0.92 -0.67 0.00 0.00 178.83 177.84 1mem h TYR 74 N 0.41 0.71 -0.81 2.96 3.20 -0.87 0.62 116.97 123.19 1mem h TYR 74 Ca 0.21 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1mem h TYR 74 Cb 0.16 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 1mem h TYR 74 CO -0.12 0.45 0.41 0.28 -1.64 0.00 0.00 178.16 177.53 1mem h VAL 75 N 0.77 1.25 -0.31 1.81 2.07 -0.50 0.20 116.25 121.54 1mem h VAL 75 Ca 0.21 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 1mem h VAL 75 Cb -0.09 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1mem h VAL 75 CO -0.05 0.29 -0.10 -0.61 0.02 0.00 0.00 177.57 177.12 1mem h GLN 76 N 1.15 0.62 -0.13 1.57 4.15 -0.65 0.05 115.11 121.87 1mem h GLN 76 Ca 0.28 -0.25 -0.14 0.00 0.77 0.00 0.00 58.65 59.31 1mem h GLN 76 Cb 0.08 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1mem h GLN 76 CO -0.04 0.82 -0.53 0.87 -1.93 0.00 0.00 178.83 178.02 1mem h LYS 77 N 0.39 0.36 0.00 1.69 1.57 -0.70 -2.78 116.57 117.10 1mem h LYS 77 Ca 0.07 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1mem h LYS 77 Cb 0.61 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1mem h LYS 77 CO 0.04 0.80 0.00 -0.97 -0.57 0.00 0.00 179.45 178.75 1mem h ASN 78 N 0.28 0.00 -4.04 0.86 -0.73 -0.48 -3.47 115.58 108.00 1mem h ASN 78 Ca 0.01 0.00 -0.36 0.00 1.87 0.00 0.00 56.30 57.82 1mem h ASN 78 Cb 1.02 0.00 0.06 0.00 0.27 0.00 0.00 38.32 39.67 1mem h ASN 78 CO 0.09 0.00 -0.54 0.54 -0.37 0.00 0.00 177.43 177.15 1mem n ARG 78 N -2.31 -4.44 0.00 6.67 1.74 -0.07 -4.92 116.66 113.34 1mem n ARG 78 Ca 0.05 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 1mem n ARG 78 Cb 0.41 -5.47 0.00 0.00 -1.02 0.00 0.00 32.46 26.38 1mem n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mem n GLY 79 N -1.45 3.33 2.96 -0.13 0.00 -0.76 -4.83 105.19 104.31 1mem n GLY 79 Ca -0.10 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 1mem n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1mem s ILE 80 N -2.00 0.02 0.74 -0.61 2.07 -0.54 -4.72 121.20 116.17 1mem s ILE 80 Ca 0.00 -0.17 -0.11 0.00 -1.41 0.00 0.00 60.65 58.96 1mem s ILE 80 Cb 0.00 -0.15 0.04 0.00 0.13 0.00 0.00 42.46 42.48 1mem s ILE 80 CO 0.00 -0.09 1.09 -1.81 -1.91 0.00 0.00 174.94 172.22 1mem s ASP 81 N -0.27 5.03 0.69 4.50 1.01 -1.26 -0.89 116.67 125.48 1mem s ASP 81 Ca -0.03 1.29 -0.11 0.00 0.71 0.00 0.00 52.55 54.40 1mem s ASP 81 Cb -0.02 -2.08 0.01 0.00 1.01 0.00 0.00 42.92 41.84 1mem s ASP 81 CO 0.00 -1.63 1.07 -0.94 0.21 0.00 0.00 175.17 173.89 1mem s SER 82 N -4.07 5.53 0.20 0.27 1.04 -1.01 -1.63 113.70 114.04 1mem s SER 82 Ca 0.59 1.32 -0.11 0.00 0.48 0.00 0.00 55.95 58.23 1mem s SER 82 Cb -0.13 -2.20 0.16 0.00 0.10 0.00 0.00 66.02 63.95 1mem s SER 82 CO 0.53 -1.31 1.86 -0.08 0.98 0.00 0.00 173.24 175.23 1mem h GLU 83 N -0.63 0.89 -0.94 4.02 4.57 -1.16 -2.21 114.58 119.12 1mem h GLU 83 Ca -0.45 -0.05 0.11 0.00 -1.18 0.00 0.00 59.36 57.79 1mem h GLU 83 Cb 1.23 -0.20 -0.07 0.00 -0.16 0.00 0.00 28.75 29.55 1mem h GLU 83 CO 0.62 0.59 0.60 -0.44 -1.18 0.00 0.00 179.01 179.20 1mem h ASP 84 N 0.92 0.85 0.80 1.04 3.32 -1.93 -0.66 116.42 120.76 1mem h ASP 84 Ca 0.27 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1mem h ASP 84 Cb -0.06 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1mem h ASP 84 CO -0.07 0.48 -0.18 0.00 -1.72 0.00 0.00 179.24 177.74 1mem n ALA 85 N -2.39 2.78 -2.87 3.45 0.00 -0.88 -4.37 120.51 116.24 1mem n ALA 85 Ca 0.17 -0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 1mem n ALA 85 Cb 0.34 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.47 1mem n ALA 85 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1mem n TYR 86 N -1.48 -2.53 -1.63 0.00 4.19 -0.49 -4.79 117.16 110.42 1mem n TYR 86 Ca 0.07 -2.25 -0.43 0.00 3.31 0.00 0.00 57.90 58.60 1mem n TYR 86 Cb 0.34 1.06 -0.00 0.00 0.49 0.00 0.00 39.34 41.23 1mem n TYR 86 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1mem n PRO 87 N 1.50 1.56 -2.39 2.98 -0.04 -0.37 -4.52 135.00 133.72 1mem n PRO 87 Ca 0.12 0.55 -0.42 0.00 -0.04 0.00 0.00 63.50 63.71 1mem n PRO 87 Cb 0.61 -2.06 -0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1mem n PRO 87 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1mem s TYR 88 N -1.16 3.01 -0.08 0.54 5.04 -1.26 -4.81 117.35 118.63 1mem s TYR 88 Ca 0.60 1.05 0.12 0.00 -2.44 0.00 0.00 57.07 56.40 1mem s TYR 88 Cb -0.60 -3.51 -0.18 0.00 0.35 0.00 0.00 41.96 38.02 1mem s TYR 88 CO 0.59 -1.72 0.15 1.55 -1.34 0.00 0.00 175.55 174.78 1mem n VAL 89 N 4.80 0.50 -1.36 3.14 3.14 -1.26 -5.04 118.33 122.25 1mem n VAL 89 Ca 0.12 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 1mem n VAL 89 Cb 0.45 -0.31 0.00 0.00 -1.06 0.00 0.00 33.84 32.93 1mem n VAL 89 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1mem n GLY 90 N 2.02 0.89 3.64 7.55 0.00 -1.26 -5.06 105.19 112.97 1mem n GLY 90 Ca -0.13 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1mem n GLY 90 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mem s GLN 91 N -3.04 0.55 0.15 1.61 -2.07 -1.26 -4.29 119.66 111.31 1mem s GLN 91 Ca 0.00 0.70 -0.31 0.00 -1.82 0.00 0.00 55.36 53.92 1mem s GLN 91 Cb 0.00 0.24 -0.09 0.00 -1.09 0.00 0.00 33.01 32.07 1mem s GLN 91 CO 0.00 -0.07 1.49 -2.00 -1.32 0.00 0.00 175.29 173.38 1mem s GLU 92 N 0.46 4.26 0.33 9.60 2.12 -1.26 -4.97 118.70 129.24 1mem s GLU 92 Ca 0.01 2.24 0.03 0.00 0.36 0.00 0.00 54.97 57.61 1mem s GLU 92 Cb -0.05 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 1mem s GLU 92 CO -0.07 -0.52 0.13 -1.21 -0.54 0.00 0.00 175.26 173.05 1mem s GLU 93 N 0.97 1.66 0.58 4.30 2.02 -1.26 -5.07 118.70 121.90 1mem s GLU 93 Ca 0.67 -1.95 -0.20 0.00 0.02 0.00 0.00 54.97 53.50 1mem s GLU 93 Cb -0.41 -0.38 -0.03 0.00 0.10 0.00 0.00 34.13 33.41 1mem s GLU 93 CO 0.32 -0.39 1.32 -1.54 0.02 0.00 0.00 175.26 174.99 1mem s SER 94 N -3.44 5.04 -0.00 -0.19 1.04 -1.26 -4.56 113.70 110.33 1mem s SER 94 Ca 0.33 2.68 -0.30 0.00 0.48 0.00 0.00 55.95 59.14 1mem s SER 94 Cb 0.05 -2.63 -0.07 0.00 0.10 0.00 0.00 66.02 63.48 1mem s SER 94 CO 0.16 -1.72 1.71 0.00 0.98 0.00 0.00 173.24 174.38 1mem n MET 96 N 6.77 2.02 -1.78 0.00 0.00 -1.26 -5.03 117.12 117.84 1mem n MET 96 Ca 0.17 -3.79 -0.41 0.00 0.00 0.00 0.00 57.70 53.67 1mem n MET 96 Cb 0.42 -1.70 -0.01 0.00 0.00 0.00 0.00 33.22 31.93 1mem n MET 96 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 175.97 175.50 1mem s TYR 97 N -3.20 2.69 -0.49 1.12 5.04 -1.26 -4.97 117.35 116.28 1mem s TYR 97 Ca 0.37 0.89 -0.05 0.00 -2.44 0.00 0.00 57.07 55.84 1mem s TYR 97 Cb 0.41 -4.06 0.13 0.00 0.35 0.00 0.00 41.96 38.79 1mem s TYR 97 CO -0.06 -3.45 0.32 -0.80 -1.34 0.00 0.00 175.55 170.22 1mem s ASN 98 N 0.31 5.42 0.62 4.32 0.01 -1.26 -4.96 114.94 119.40 1mem s ASN 98 Ca 0.60 -2.23 0.28 0.00 -0.71 0.00 0.00 52.86 50.80 1mem s ASN 98 Cb -0.48 -1.89 1.42 0.00 0.41 0.00 0.00 41.25 40.71 1mem s ASN 98 CO 0.53 -0.54 1.83 1.55 -1.51 0.00 0.00 177.10 178.95 1mem h PRO 99 N 7.89 0.00 0.00 -0.60 0.13 -1.99 0.69 132.00 138.12 1mem h PRO 99 Ca -0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 1mem h PRO 99 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1mem h PRO 99 CO 0.74 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.40 1mem h THR 100 N 0.00 0.22 -0.70 1.56 1.03 -2.01 -3.08 112.91 109.94 1mem h THR 100 Ca 0.15 -1.16 0.00 0.00 -0.01 0.00 0.00 66.41 65.39 1mem h THR 100 Cb 1.14 1.97 0.00 0.00 -1.07 0.00 0.00 68.15 70.19 1mem h THR 100 CO -0.00 0.12 0.00 0.61 -0.01 0.00 0.00 175.52 176.24 1mem n GLY 101 N 0.83 2.43 3.65 2.99 0.00 0.23 -4.99 105.19 110.34 1mem n GLY 101 Ca 0.03 -0.79 -0.46 0.00 0.00 0.00 0.00 46.02 44.79 1mem n GLY 101 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mem n LYS 102 N 1.47 1.83 0.00 1.61 4.81 -1.17 -2.40 118.16 124.32 1mem n LYS 102 Ca 0.24 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 1mem n LYS 102 Cb 0.68 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.43 1mem n LYS 102 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1mem n ALA 103 N 2.11 1.70 -3.73 3.14 0.00 -0.07 -4.81 120.51 118.85 1mem n ALA 103 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 1mem n ALA 103 Cb 0.29 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.75 1mem n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mem s ALA 105 N -1.50 -0.72 0.33 0.00 0.00 -1.18 -5.01 121.76 113.67 1mem s ALA 105 Ca 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 1mem s ALA 105 Cb 0.00 0.76 -0.00 0.00 0.00 0.00 0.00 23.12 23.88 1mem s ALA 105 CO 0.00 -0.98 0.45 0.21 0.00 0.00 0.00 175.76 175.44 1mem s LYS 106 N -2.76 1.83 -0.04 0.00 2.20 -1.26 -1.47 119.74 118.24 1mem s LYS 106 Ca 0.16 -1.70 -0.05 0.00 -0.36 0.00 0.00 55.97 54.01 1mem s LYS 106 Cb -0.05 0.43 0.01 0.00 -1.51 0.00 0.00 37.83 36.72 1mem s LYS 106 CO 0.11 -0.75 0.13 0.00 -0.36 0.00 0.00 175.35 174.48 1mem n ARG 108 N 2.79 3.18 0.00 0.00 1.74 0.51 -3.90 116.66 120.97 1mem n ARG 108 Ca -0.14 -4.02 0.00 0.00 -0.77 0.00 0.00 57.85 52.92 1mem n ARG 108 Cb 0.59 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 1mem n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mem n GLY 109 N -0.68 0.58 3.40 -0.13 0.00 -1.25 -4.73 105.19 102.38 1mem n GLY 109 Ca 0.35 -2.31 -0.12 0.00 0.00 0.00 0.00 46.02 43.94 1mem n GLY 109 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mem s TYR 110 N -0.57 -0.47 0.10 1.61 -0.85 -1.26 -0.14 117.35 115.76 1mem s TYR 110 Ca 0.00 0.32 0.08 0.00 -0.52 0.00 0.00 57.07 56.95 1mem s TYR 110 Cb 0.00 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1mem s TYR 110 CO 0.00 -0.78 -0.21 1.03 -1.52 0.00 0.00 175.55 174.07 1mem s ARG 111 N -3.45 1.15 -0.05 -3.49 1.81 0.12 -4.90 118.95 110.14 1mem s ARG 111 Ca -0.00 -1.14 0.02 0.00 -1.72 0.00 0.00 55.73 52.89 1mem s ARG 111 Cb -0.00 -1.40 -0.03 0.00 -0.45 0.00 0.00 34.95 33.07 1mem s ARG 111 CO -0.10 0.33 -0.10 -1.21 -0.68 0.00 0.00 175.30 173.54 1mem s GLU 112 N -1.84 2.61 0.24 3.54 2.02 -1.26 -1.56 118.70 122.46 1mem s GLU 112 Ca 0.06 -0.64 -0.25 0.00 0.02 0.00 0.00 54.97 54.17 1mem s GLU 112 Cb -0.10 -2.49 -0.09 0.00 0.10 0.00 0.00 34.13 31.55 1mem s GLU 112 CO 0.04 0.64 0.85 0.42 0.02 0.00 0.00 175.26 177.23 1mem s ILE 113 N -0.81 4.31 0.01 -1.63 1.09 0.13 -4.97 121.20 119.33 1mem s ILE 113 Ca 0.13 1.71 -0.36 0.00 -1.10 0.00 0.00 60.65 61.03 1mem s ILE 113 Cb -0.11 -4.06 -0.15 0.00 -1.06 0.00 0.00 42.46 37.08 1mem s ILE 113 CO 0.02 0.32 1.59 -2.65 -0.10 0.00 0.00 174.94 174.11 1mem n PRO 114 N 1.02 1.66 -1.58 2.79 -0.02 -1.26 -4.65 135.00 132.95 1mem n PRO 114 Ca -0.02 0.60 -0.55 0.00 -2.02 0.00 0.00 63.50 61.52 1mem n PRO 114 Cb 0.49 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 1mem n PRO 114 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1mem n GLU 115 N 4.07 1.12 -0.83 -0.52 2.13 -1.26 -1.65 120.64 123.70 1mem n GLU 115 Ca 0.20 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.40 1mem n GLU 115 Cb 0.23 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 29.72 1mem n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1mem n GLY 116 N 5.28 1.19 3.44 8.31 0.00 0.26 -4.92 105.19 118.75 1mem n GLY 116 Ca 0.33 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.92 1mem n GLY 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mem s ASN 117 N -3.11 6.18 0.30 1.61 3.84 -0.66 -4.85 114.94 118.26 1mem s ASN 117 Ca 0.00 -1.06 0.12 0.00 0.21 0.00 0.00 52.86 52.13 1mem s ASN 117 Cb 0.00 -2.41 0.45 0.00 -0.55 0.00 0.00 41.25 38.74 1mem s ASN 117 CO 0.00 -1.40 1.65 -0.33 -2.79 0.00 0.00 177.10 174.23 1mem h GLU 118 N 9.52 0.00 -0.51 0.43 5.08 -1.89 -2.42 114.58 124.79 1mem h GLU 118 Ca -0.28 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 1mem h GLU 118 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1mem h GLU 118 CO 1.17 0.55 0.13 0.87 -1.00 0.00 0.00 179.01 180.74 1mem h LYS 119 N 0.00 0.81 -0.30 2.33 1.79 -1.98 -1.04 116.57 118.17 1mem h LYS 119 Ca -0.01 -0.19 -0.09 0.00 -2.18 0.00 0.00 60.65 58.18 1mem h LYS 119 Cb 1.02 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.55 1mem h LYS 119 CO 0.07 0.77 -0.21 0.00 -1.08 0.00 0.00 179.45 179.00 1mem h ALA 120 N 1.00 1.08 -0.54 3.86 0.00 -1.92 -1.87 119.26 120.87 1mem h ALA 120 Ca 0.16 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1mem h ALA 120 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1mem h ALA 120 CO 0.00 0.56 0.03 1.25 0.00 0.00 0.00 179.25 181.09 1mem h LEU 121 N 0.50 0.87 0.26 0.00 5.85 -0.96 -1.34 115.31 120.48 1mem h LEU 121 Ca 0.08 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1mem h LEU 121 Cb 0.63 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1mem h LEU 121 CO 0.05 0.91 -0.12 0.50 -0.34 0.00 0.00 178.44 179.43 1mem h LYS 122 N 0.84 -0.34 -0.70 1.25 3.64 -0.76 -0.64 116.57 119.87 1mem h LYS 122 Ca 0.16 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.67 1mem h LYS 122 Cb 0.46 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.28 1mem h LYS 122 CO 0.02 -0.19 0.32 0.00 -2.27 0.00 0.00 179.45 177.33 1mem h ARG 123 N -0.39 0.52 -0.10 1.90 3.08 -1.13 -0.32 114.38 117.94 1mem h ARG 123 Ca -0.04 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1mem h ARG 123 Cb 0.30 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1mem h ARG 123 CO 0.06 0.34 0.05 0.00 -1.07 0.00 0.00 179.97 179.35 1mem h ALA 124 N 1.45 0.11 -0.86 0.04 0.00 -0.92 0.11 119.26 119.19 1mem h ALA 124 Ca 0.35 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1mem h ALA 124 Cb 0.42 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1mem h ALA 124 CO -0.30 -0.41 0.56 0.28 0.00 0.00 0.00 179.25 179.38 1mem h VAL 125 N 0.11 1.17 -0.54 0.00 2.07 -0.09 0.19 116.25 119.15 1mem h VAL 125 Ca 0.04 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1mem h VAL 125 Cb 0.01 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.72 1mem h VAL 125 CO -0.03 0.20 0.12 0.00 0.02 0.00 0.00 177.57 177.88 1mem h ALA 126 N 1.34 0.71 0.09 1.67 0.00 -0.66 -2.69 119.26 119.72 1mem h ALA 126 Ca 0.33 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 1mem h ALA 126 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1mem h ALA 126 CO -0.10 0.43 -1.29 0.07 0.00 0.00 0.00 179.25 178.35 1mem h ARG 127 N 0.77 0.19 0.05 0.00 0.11 -0.29 -3.42 114.38 111.79 1mem h ARG 127 Ca 0.17 -0.33 -0.37 0.00 0.10 0.00 0.00 59.98 59.55 1mem h ARG 127 Cb 0.36 0.12 -0.05 0.00 1.11 0.00 0.00 29.97 31.52 1mem h ARG 127 CO 0.00 1.16 -2.16 1.55 0.10 0.00 0.00 179.97 180.63 1mem n VAL 127 N -4.04 1.61 0.00 0.08 3.14 0.62 -5.09 118.33 114.66 1mem n VAL 127 Ca -0.25 -0.51 0.00 0.00 -2.96 0.00 0.00 64.34 60.62 1mem n VAL 127 Cb 0.84 -1.68 0.00 0.00 -1.06 0.00 0.00 33.84 31.95 1mem n VAL 127 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1mem n GLY 128 N 1.93 0.79 3.60 7.55 0.00 -1.01 -4.87 105.19 113.18 1mem n GLY 128 Ca -0.40 -2.06 -0.51 0.00 0.00 0.00 0.00 46.02 43.06 1mem n GLY 128 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1mem n PRO 129 N 0.00 1.26 -5.05 1.61 -0.02 -1.26 -4.33 135.00 127.21 1mem n PRO 129 Ca 0.00 0.45 -0.32 0.00 -2.02 0.00 0.00 63.50 61.61 1mem n PRO 129 Cb 0.00 -2.07 -0.15 0.00 -0.02 0.00 0.00 33.50 31.26 1mem n PRO 129 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1mem s VAL 130 N 0.33 2.62 0.12 -1.45 1.01 -0.75 -4.71 120.40 117.57 1mem s VAL 130 Ca 0.81 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1mem s VAL 130 Cb -0.90 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 1mem s VAL 130 CO 0.47 0.57 1.09 -0.44 0.00 0.00 0.00 175.10 176.80 1mem s SER 131 N -0.39 7.27 0.07 3.32 0.01 -0.54 -0.49 113.70 122.95 1mem s SER 131 Ca 0.04 1.98 0.01 0.00 1.31 0.00 0.00 55.95 59.29 1mem s SER 131 Cb -0.12 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 1mem s SER 131 CO 0.02 -0.26 -0.06 0.68 0.41 0.00 0.00 173.24 174.03 1mem s VAL 132 N 0.24 0.53 0.00 3.43 -7.23 -0.21 -1.80 120.40 115.36 1mem s VAL 132 Ca 0.51 -1.68 0.06 0.00 -1.81 0.00 0.00 61.98 59.06 1mem s VAL 132 Cb -0.28 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.28 1mem s VAL 132 CO 0.32 -0.78 -0.19 0.00 -0.31 0.00 0.00 175.10 174.13 1mem s ALA 133 N -3.13 2.49 0.25 1.32 0.00 -1.22 -0.41 121.76 121.07 1mem s ALA 133 Ca 0.05 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1mem s ALA 133 Cb 0.02 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1mem s ALA 133 CO -0.05 0.55 0.29 0.96 0.00 0.00 0.00 175.76 177.52 1mem s ILE 134 N -0.79 0.00 -0.41 0.00 -4.36 -0.10 -4.03 121.20 111.52 1mem s ILE 134 Ca 0.12 -1.79 -0.17 0.00 -0.26 0.00 0.00 60.65 58.55 1mem s ILE 134 Cb -0.10 -2.45 0.01 0.00 1.25 0.00 0.00 42.46 41.17 1mem s ILE 134 CO 0.02 0.00 0.46 -0.62 0.24 0.00 0.00 174.94 175.04 1mem s ASP 135 N -3.17 6.22 -0.22 4.36 2.15 -0.63 -0.73 116.67 124.66 1mem s ASP 135 Ca 0.34 -0.52 0.12 0.00 0.43 0.00 0.00 52.55 52.91 1mem s ASP 135 Cb 0.03 -2.23 0.43 0.00 -0.30 0.00 0.00 42.92 40.85 1mem s ASP 135 CO 0.15 -0.56 1.28 0.00 -0.17 0.00 0.00 175.17 175.87 1mem n ALA 136 N 5.66 3.61 0.40 3.66 0.00 -1.26 -4.76 120.51 127.81 1mem n ALA 136 Ca -0.07 -3.13 0.12 0.00 0.00 0.00 0.00 53.44 50.37 1mem n ALA 136 Cb 0.48 -0.47 0.24 0.00 0.00 0.00 0.00 19.45 19.70 1mem n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1mem h SER 137 N 0.89 0.00 -3.89 0.00 4.64 -1.90 -3.43 113.55 109.86 1mem h SER 137 Ca 0.06 -0.03 -0.50 0.00 -0.47 0.00 0.00 61.79 60.84 1mem h SER 137 Cb 1.19 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.31 1mem h SER 137 CO 0.11 0.01 0.49 -0.76 -0.87 0.00 0.00 176.83 175.82 1mem s LEU 138 N -5.23 4.34 0.39 5.97 1.43 -1.26 -4.92 118.68 119.41 1mem s LEU 138 Ca 0.07 2.30 0.11 0.00 -1.03 0.00 0.00 54.13 55.59 1mem s LEU 138 Cb 0.09 -3.86 0.92 0.00 0.03 0.00 0.00 46.19 43.37 1mem s LEU 138 CO 0.66 -0.43 1.92 0.74 0.23 0.00 0.00 176.35 179.47 1mem h THR 139 N 2.66 0.86 0.00 5.49 2.02 -2.00 0.11 112.91 122.06 1mem h THR 139 Ca -0.48 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 1mem h THR 139 Cb 1.22 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1mem h THR 139 CO 0.64 0.10 -0.11 0.77 0.37 0.00 0.00 175.52 177.30 1mem h SER 140 N 0.56 0.00 0.05 4.18 4.64 -1.93 0.14 113.55 121.19 1mem h SER 140 Ca 0.37 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.59 1mem h SER 140 Cb 0.65 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.75 1mem h SER 140 CO -0.14 0.11 -0.42 0.15 -0.87 0.00 0.00 176.83 175.66 1mem h PHE 141 N 0.00 0.33 -0.80 4.77 3.04 -1.12 -2.90 116.94 120.26 1mem h PHE 141 Ca -0.00 -0.22 0.09 0.00 3.98 0.00 0.00 57.97 61.82 1mem h PHE 141 Cb 0.34 -0.02 -0.07 0.00 2.56 0.00 0.00 35.95 38.76 1mem h PHE 141 CO 0.00 1.11 0.46 0.37 -2.02 0.00 0.00 178.31 178.22 1mem h GLN 142 N -0.53 0.76 -0.99 1.11 5.75 -1.09 -1.91 115.11 118.20 1mem h GLN 142 Ca -0.07 -0.05 -0.47 0.00 -0.15 0.00 0.00 58.65 57.92 1mem h GLN 142 Cb 1.26 -0.17 -0.28 0.00 1.07 0.00 0.00 27.48 29.36 1mem h GLN 142 CO 0.08 0.50 0.60 1.19 -2.65 0.00 0.00 178.83 178.55 1mem n PHE 143 N -4.74 2.83 -1.90 3.99 3.72 -0.01 -4.84 117.46 116.51 1mem n PHE 143 Ca 0.13 -1.73 -0.38 0.00 -0.05 0.00 0.00 57.45 55.42 1mem n PHE 143 Cb 0.25 -0.89 0.03 0.00 -0.94 0.00 0.00 39.48 37.93 1mem n PHE 143 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1mem s TYR 144 N -3.05 2.43 -0.29 1.38 5.04 -0.72 -4.97 117.35 117.16 1mem s TYR 144 Ca 0.53 1.41 -0.16 0.00 -2.44 0.00 0.00 57.07 56.41 1mem s TYR 144 Cb 0.44 -3.70 0.18 0.00 0.35 0.00 0.00 41.96 39.23 1mem s TYR 144 CO 0.10 -2.56 1.11 0.45 -1.34 0.00 0.00 175.55 173.32 1mem s SER 145 N -1.05 -0.30 0.27 4.32 0.15 -1.26 -4.17 113.70 111.66 1mem s SER 145 Ca 0.69 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.82 1mem s SER 145 Cb -0.37 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 1mem s SER 145 CO 0.45 -0.07 0.00 0.29 1.20 0.00 0.00 173.24 175.10 1mem n LYS 146 N 3.54 -2.77 0.00 5.44 4.76 -1.26 -5.03 118.16 122.84 1mem n LYS 146 Ca -0.17 2.04 0.00 0.00 -2.87 0.00 0.00 58.31 57.31 1mem n LYS 146 Cb 0.57 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.48 1mem n LYS 146 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mem n GLY 147 N -0.55 -1.46 3.48 0.72 0.00 -1.26 -4.76 105.19 101.36 1mem n GLY 147 Ca 0.00 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 1mem n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mem s VAL 148 N 0.00 5.16 0.09 1.61 1.01 -1.26 -4.29 120.40 122.71 1mem s VAL 148 Ca 0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 1mem s VAL 148 Cb 0.00 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 1mem s VAL 148 CO 0.00 -0.36 1.81 -0.47 0.00 0.00 0.00 175.10 176.08 1mem s TYR 149 N 1.96 2.05 -0.19 5.22 5.04 0.13 -4.72 117.35 126.84 1mem s TYR 149 Ca 0.09 -0.02 -0.10 0.00 -2.44 0.00 0.00 57.07 54.61 1mem s TYR 149 Cb -0.18 -4.13 0.07 0.00 0.35 0.00 0.00 41.96 38.07 1mem s TYR 149 CO 0.12 -4.73 0.44 -0.47 -1.34 0.00 0.00 175.55 169.58 1mem s TYR 150 N 3.07 -0.68 -0.12 4.97 5.04 -1.26 -1.59 117.35 126.78 1mem s TYR 150 Ca 0.80 1.42 -0.05 0.00 -2.44 0.00 0.00 57.07 56.80 1mem s TYR 150 Cb -0.43 0.31 0.06 0.00 0.35 0.00 0.00 41.96 42.25 1mem s TYR 150 CO 0.36 -0.39 0.25 0.34 -1.34 0.00 0.00 175.55 174.77 1mem s ASP 150 N 1.62 0.20 0.34 4.32 -1.08 -1.26 -5.04 116.67 115.77 1mem s ASP 150 Ca -0.08 0.54 0.24 0.00 -0.52 0.00 0.00 52.55 52.73 1mem s ASP 150 Cb -0.09 0.56 1.21 0.00 -1.46 0.00 0.00 42.92 43.15 1mem s ASP 150 CO -0.14 -0.22 1.74 -0.33 0.52 0.00 0.00 175.17 176.75 1mem h GLU 151 N 7.95 0.00 0.00 4.34 5.08 -2.03 -1.36 114.58 128.56 1mem h GLU 151 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1mem h GLU 151 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1mem h GLU 151 CO 0.21 0.00 -0.12 0.77 -1.00 0.00 0.00 179.01 178.87 1mem h SER 152 N 0.00 0.00 -2.29 1.42 0.02 -2.05 -3.46 113.55 107.19 1mem h SER 152 Ca 0.00 -0.04 -0.58 0.00 -0.84 0.00 0.00 61.79 60.33 1mem h SER 152 Cb 0.13 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.72 1mem h SER 152 CO 0.00 0.02 0.86 0.00 -1.14 0.00 0.00 176.83 176.57 1mem s ASN 154 N 1.35 5.23 0.09 0.00 3.84 -1.26 -4.56 114.94 119.63 1mem s ASN 154 Ca 0.80 -0.59 0.18 0.00 0.21 0.00 0.00 52.86 53.46 1mem s ASN 154 Cb -0.65 -1.92 0.75 0.00 -0.55 0.00 0.00 41.25 38.88 1mem s ASN 154 CO 0.39 -0.17 1.56 -1.54 -2.79 0.00 0.00 177.10 174.55 1mem n SER 155 N 4.91 0.23 -0.73 -4.21 3.41 -1.26 -1.77 113.62 114.18 1mem n SER 155 Ca -0.15 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.13 1mem n SER 155 Cb 0.49 -0.60 0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1mem n SER 155 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mem n ASP 156 N -1.75 2.52 -3.63 4.04 8.00 -1.26 -4.49 116.55 119.97 1mem n ASP 156 Ca 0.03 -1.76 -0.32 0.00 0.71 0.00 0.00 54.79 53.45 1mem n ASP 156 Cb 0.20 0.19 -0.05 0.00 -0.02 0.00 0.00 41.12 41.43 1mem n ASP 156 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1mem n ASN 156 N 0.76 4.62 -4.69 -2.24 5.15 -0.73 -5.05 115.26 113.08 1mem n ASN 156 Ca 0.11 -3.43 -0.41 0.00 -0.60 0.00 0.00 54.58 50.25 1mem n ASN 156 Cb 0.52 -0.87 -0.04 0.00 -0.53 0.00 0.00 39.78 38.86 1mem n ASN 156 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1mem s LEU 157 N -2.55 4.25 0.00 1.20 1.43 -1.26 -3.95 118.68 117.80 1mem s LEU 157 Ca 0.37 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 1mem s LEU 157 Cb 0.11 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 43.02 1mem s LEU 157 CO 0.02 -0.32 0.03 -0.46 0.23 0.00 0.00 176.35 175.85 1mem n ASN 158 N 4.65 0.06 -4.13 2.29 0.23 0.10 -4.94 115.26 113.51 1mem n ASN 158 Ca 0.04 -0.51 -0.18 0.00 -0.53 0.00 0.00 54.58 53.40 1mem n ASN 158 Cb 0.50 0.06 -0.12 0.00 -2.08 0.00 0.00 39.78 38.13 1mem n ASN 158 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1mem s HIS 159 N -0.06 1.10 -0.15 -2.53 5.04 -0.76 -4.94 115.29 112.99 1mem s HIS 159 Ca 0.00 -0.41 0.02 0.00 -1.54 0.00 0.00 55.06 53.12 1mem s HIS 159 Cb 0.00 -0.64 0.01 0.00 0.04 0.00 0.00 32.58 31.99 1mem s HIS 159 CO 0.00 0.02 -0.20 0.00 -2.34 0.00 0.00 174.74 172.22 1mem s ALA 160 N -1.10 2.30 0.03 1.58 0.00 -1.26 -0.92 121.76 122.39 1mem s ALA 160 Ca -0.02 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1mem s ALA 160 Cb -0.09 -1.07 -0.00 0.00 0.00 0.00 0.00 23.12 21.96 1mem s ALA 160 CO 0.02 -0.10 0.01 1.33 0.00 0.00 0.00 175.76 177.02 1mem n VAL 161 N 4.19 0.00 -4.11 0.00 0.24 0.45 -4.53 118.33 114.58 1mem n VAL 161 Ca -0.20 -0.19 -0.28 0.00 -2.04 0.00 0.00 64.34 61.62 1mem n VAL 161 Cb 0.51 0.08 -0.17 0.00 -1.47 0.00 0.00 33.84 32.79 1mem n VAL 161 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1mem s LEU 162 N 0.00 1.53 -0.53 1.34 0.20 -0.88 -1.04 118.68 119.29 1mem s LEU 162 Ca 0.02 -0.40 -0.26 0.00 0.69 0.00 0.00 54.13 54.18 1mem s LEU 162 Cb 0.00 -1.03 0.03 0.00 -0.43 0.00 0.00 46.19 44.77 1mem s LEU 162 CO 0.01 -0.06 1.02 0.00 -0.29 0.00 0.00 176.35 177.04 1mem s ALA 163 N 1.40 3.14 -1.75 5.97 0.00 0.36 -0.25 121.76 130.63 1mem s ALA 163 Ca 0.01 -0.93 0.21 0.00 0.00 0.00 0.00 51.96 51.26 1mem s ALA 163 Cb -0.13 -3.80 0.66 0.00 0.00 0.00 0.00 23.12 19.85 1mem s ALA 163 CO -0.07 -2.35 1.56 1.33 0.00 0.00 0.00 175.76 176.23 1mem n VAL 164 N 6.45 1.21 -2.25 0.00 0.24 0.41 -1.80 118.33 122.57 1mem n VAL 164 Ca 0.06 -1.05 0.00 0.00 -2.04 0.00 0.00 64.34 61.31 1mem n VAL 164 Cb 0.48 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 1mem n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mem n GLY 165 N 1.51 -2.06 3.38 7.63 0.00 -1.22 -1.69 105.19 112.74 1mem n GLY 165 Ca 0.25 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 1mem n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mem s TYR 166 N -2.57 -0.41 0.00 1.61 -0.85 -0.63 -0.86 117.35 113.65 1mem s TYR 166 Ca 0.00 0.22 0.00 0.00 -0.52 0.00 0.00 57.07 56.77 1mem s TYR 166 Cb 0.00 0.42 0.00 0.00 0.38 0.00 0.00 41.96 42.76 1mem s TYR 166 CO 0.00 -0.76 0.00 0.41 -1.52 0.00 0.00 175.55 173.68 1mem n GLY 167 N -0.18 1.44 2.73 5.49 0.00 -0.89 -1.31 105.19 112.47 1mem n GLY 167 Ca -0.17 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 1mem n GLY 167 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mem s ILE 168 N -1.78 -0.04 -0.32 -0.61 1.09 -1.26 -0.86 121.20 117.42 1mem s ILE 168 Ca 0.00 0.29 -0.03 0.00 -1.10 0.00 0.00 60.65 59.82 1mem s ILE 168 Cb 0.00 -0.15 0.06 0.00 -1.06 0.00 0.00 42.46 41.31 1mem s ILE 168 CO 0.00 0.14 0.05 -1.58 -0.10 0.00 0.00 174.94 173.45 1mem s GLN 168 N 1.57 2.39 -1.34 2.79 0.74 0.43 -4.70 119.66 121.54 1mem s GLN 168 Ca -0.03 -1.34 -0.02 0.00 0.05 0.00 0.00 55.36 54.02 1mem s GLN 168 Cb -0.13 -3.28 -0.00 0.00 1.10 0.00 0.00 33.01 30.70 1mem s GLN 168 CO -0.03 -0.69 0.55 1.63 -0.55 0.00 0.00 175.29 176.20 1mem n LYS 168 N 4.64 -3.57 -0.18 1.67 5.02 -1.26 -0.82 118.16 123.66 1mem n LYS 168 Ca -0.11 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1mem n LYS 168 Cb 0.43 -4.70 0.00 0.00 -0.02 0.00 0.00 35.03 30.74 1mem n LYS 168 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mem n GLY 168 N -1.81 1.65 3.46 0.72 0.00 -1.26 -5.02 105.19 102.93 1mem n GLY 168 Ca -0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1mem n GLY 168 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mem s ASN 168 N -3.23 5.40 0.26 1.61 -0.87 -0.00 -5.06 114.94 113.05 1mem s ASN 168 Ca 0.00 -0.28 -0.29 0.00 -1.57 0.00 0.00 52.86 50.71 1mem s ASN 168 Cb 0.00 -1.98 -0.09 0.00 -0.02 0.00 0.00 41.25 39.16 1mem s ASN 168 CO 0.00 -0.09 1.19 -0.54 -2.57 0.00 0.00 177.10 175.09 1mem s LYS 169 N 1.63 4.52 0.28 -0.60 1.02 -1.26 0.16 119.74 125.50 1mem s LYS 169 Ca 0.06 1.93 -0.05 0.00 0.02 0.00 0.00 55.97 57.94 1mem s LYS 169 Cb -0.16 -3.17 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 1mem s LYS 169 CO 0.06 0.01 0.40 -3.38 -0.92 0.00 0.00 175.35 171.52 1mem s HIS 170 N -0.80 0.91 -0.08 3.18 -3.43 -0.04 -0.85 115.29 114.18 1mem s HIS 170 Ca 0.48 -1.16 0.04 0.00 -0.80 0.00 0.00 55.06 53.62 1mem s HIS 170 Cb -0.34 -0.13 -0.01 0.00 -1.43 0.00 0.00 32.58 30.66 1mem s HIS 170 CO 0.43 -0.98 -0.20 -1.58 -2.00 0.00 0.00 174.74 170.40 1mem s TRP 171 N -3.59 2.60 -0.27 0.38 0.52 0.17 -2.08 118.94 116.67 1mem s TRP 171 Ca 0.30 -0.69 -0.21 0.00 0.02 0.00 0.00 56.10 55.52 1mem s TRP 171 Cb 0.01 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.63 1mem s TRP 171 CO 0.16 -0.20 0.66 0.42 0.02 0.00 0.00 176.95 178.01 1mem s ILE 172 N -0.00 4.94 -0.14 2.03 1.01 -0.04 -1.24 121.20 127.77 1mem s ILE 172 Ca -0.07 1.14 0.00 0.00 0.00 0.00 0.00 60.65 61.72 1mem s ILE 172 Cb -0.15 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 1mem s ILE 172 CO 0.05 -0.04 -0.14 -0.63 0.00 0.00 0.00 174.94 174.18 1mem s ILE 173 N 2.60 2.90 -0.24 2.92 -1.09 -0.30 -0.45 121.20 127.54 1mem s ILE 173 Ca 0.27 -0.71 -0.16 0.00 -2.23 0.00 0.00 60.65 57.82 1mem s ILE 173 Cb -0.15 -2.22 -0.03 0.00 -1.58 0.00 0.00 42.46 38.48 1mem s ILE 173 CO 0.09 0.52 0.43 -0.75 -1.23 0.00 0.00 174.94 174.01 1mem s LYS 174 N 0.49 4.09 0.54 2.79 2.20 0.65 -1.49 119.74 129.01 1mem s LYS 174 Ca -0.10 0.20 0.08 0.00 -0.36 0.00 0.00 55.97 55.79 1mem s LYS 174 Cb -0.16 -3.61 0.07 0.00 -1.51 0.00 0.00 37.83 32.62 1mem s LYS 174 CO 0.04 -0.21 0.75 1.21 -0.36 0.00 0.00 175.35 176.78 1mem s ASN 175 N 1.39 5.19 -0.30 1.43 2.47 -0.82 -2.08 114.94 122.22 1mem s ASN 175 Ca 0.19 -0.68 0.13 0.00 0.42 0.00 0.00 52.86 52.92 1mem s ASN 175 Cb -0.15 0.00 0.47 0.00 -1.45 0.00 0.00 41.25 40.12 1mem s ASN 175 CO 0.09 -1.23 1.13 -1.54 -3.72 0.00 0.00 177.10 171.83 1mem n SER 176 N -2.19 3.40 -0.69 -4.21 3.41 -1.26 -4.54 113.62 107.54 1mem n SER 176 Ca 0.13 -3.05 0.06 0.00 -0.26 0.00 0.00 58.87 55.75 1mem n SER 176 Cb 0.61 -0.42 0.21 0.00 -0.26 0.00 0.00 64.21 64.34 1mem n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1mem n TRP 177 N -0.57 0.60 0.00 7.33 8.01 -1.19 -1.15 117.44 130.47 1mem n TRP 177 Ca 0.27 -1.15 0.00 0.00 -1.31 0.00 0.00 57.50 55.31 1mem n TRP 177 Cb 0.86 -0.30 0.00 0.00 -2.01 0.00 0.00 31.31 29.85 1mem n TRP 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1mem n GLY 178 N -0.99 0.30 0.20 6.99 0.00 -0.70 -4.32 105.19 106.67 1mem n GLY 178 Ca 0.22 -1.76 0.08 0.00 0.00 0.00 0.00 46.02 44.56 1mem n GLY 178 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1mem h GLU 179 N 0.00 0.00 0.00 1.61 5.08 -1.83 -3.13 114.58 116.31 1mem h GLU 179 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mem h GLU 179 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1mem h GLU 179 CO 0.00 0.27 0.00 -2.95 -1.00 0.00 0.00 179.01 175.33 1mem h ASN 180 N 0.00 0.00 -3.03 1.42 -0.00 -1.89 -2.71 115.58 109.37 1mem h ASN 180 Ca -0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 56.30 55.71 1mem h ASN 180 Cb 0.92 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.20 1mem h ASN 180 CO 0.03 0.00 -0.38 0.86 -0.00 0.00 0.00 177.43 177.95 1mem s TRP 181 N -3.42 3.49 0.00 4.14 -0.00 -1.18 -4.89 118.94 117.08 1mem s TRP 181 Ca 0.02 0.42 0.00 0.00 -0.00 0.00 0.00 56.10 56.54 1mem s TRP 181 Cb 0.09 -1.90 0.00 0.00 -0.00 0.00 0.00 33.47 31.66 1mem s TRP 181 CO 0.37 0.48 0.00 0.41 -0.00 0.00 0.00 176.95 178.21 1mem n GLY 182 N 0.05 2.53 3.36 5.86 0.00 -1.26 0.70 105.19 116.42 1mem n GLY 182 Ca -0.04 -0.34 -0.46 0.00 0.00 0.00 0.00 46.02 45.18 1mem n GLY 182 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mem s ASN 183 N -4.00 6.99 -1.46 1.61 3.84 0.10 -4.49 114.94 117.52 1mem s ASN 183 Ca 0.00 -3.00 -0.07 0.00 0.21 0.00 0.00 52.86 50.01 1mem s ASN 183 Cb 0.00 -2.24 0.01 0.00 -0.55 0.00 0.00 41.25 38.47 1mem s ASN 183 CO 0.00 -0.52 0.87 0.29 -2.79 0.00 0.00 177.10 174.95 1mem n LYS 184 N 3.86 -6.29 -0.50 0.43 5.02 -1.22 -2.22 118.16 117.23 1mem n LYS 184 Ca 0.20 0.87 0.00 0.00 -2.02 0.00 0.00 58.31 57.37 1mem n LYS 184 Cb 0.44 -5.81 0.00 0.00 -0.02 0.00 0.00 35.03 29.64 1mem n LYS 184 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mem n GLY 185 N -1.75 0.75 3.62 0.72 0.00 0.22 -4.68 105.19 104.08 1mem n GLY 185 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 1mem n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mem s TYR 186 N -2.98 2.64 -0.05 1.61 1.51 -0.94 -1.95 117.35 117.19 1mem s TYR 186 Ca 0.00 -0.25 -0.05 0.00 -1.01 0.00 0.00 57.07 55.76 1mem s TYR 186 Cb 0.00 -1.20 0.01 0.00 -0.11 0.00 0.00 41.96 40.66 1mem s TYR 186 CO 0.00 0.62 0.13 -1.50 -1.11 0.00 0.00 175.55 173.69 1mem s ILE 187 N -2.36 0.01 -0.24 2.71 2.07 -0.56 -0.72 121.20 122.11 1mem s ILE 187 Ca 0.32 -0.05 -0.10 0.00 -1.41 0.00 0.00 60.65 59.40 1mem s ILE 187 Cb -0.06 -0.21 -0.05 0.00 0.13 0.00 0.00 42.46 42.27 1mem s ILE 187 CO 0.19 -0.03 0.16 -0.76 -1.91 0.00 0.00 174.94 172.59 1mem s LEU 188 N -0.04 4.08 -0.05 8.50 1.43 -1.26 -1.15 118.68 130.19 1mem s LEU 188 Ca -0.01 0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1mem s LEU 188 Cb -0.01 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1mem s LEU 188 CO 0.00 0.06 -0.15 -0.04 0.23 0.00 0.00 176.35 176.46 1mem s MET 189 N 1.08 2.53 -0.02 1.70 -1.94 -0.37 0.19 119.30 122.46 1mem s MET 189 Ca 0.07 -0.70 -0.37 0.00 -1.71 0.00 0.00 55.69 52.98 1mem s MET 189 Cb -0.14 -2.38 -0.15 0.00 2.01 0.00 0.00 34.83 34.18 1mem s MET 189 CO 0.05 0.60 1.60 0.00 -0.01 0.00 0.00 175.02 177.26 1mem n ALA 190 N 2.37 0.08 -2.67 3.03 0.00 -0.62 0.44 120.51 123.13 1mem n ALA 190 Ca -0.17 0.43 -0.35 0.00 0.00 0.00 0.00 53.44 53.35 1mem n ALA 190 Cb 0.52 -2.25 -0.10 0.00 0.00 0.00 0.00 19.45 17.62 1mem n ALA 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1mem s ARG 191 N 2.02 2.96 -1.52 0.00 3.52 -0.03 -4.42 118.95 121.48 1mem s ARG 191 Ca 0.88 -0.42 0.00 0.00 -0.13 0.00 0.00 55.73 56.06 1mem s ARG 191 Cb -0.88 -2.77 0.00 0.00 -1.56 0.00 0.00 34.95 29.74 1mem s ARG 191 CO 0.51 0.70 0.00 0.09 -0.81 0.00 0.00 175.30 175.78 1mem n ASN 192 N 2.13 -4.75 -3.24 -2.12 3.02 -1.26 -4.61 115.26 104.42 1mem n ASN 192 Ca -0.18 0.29 -0.39 0.00 -0.03 0.00 0.00 54.58 54.26 1mem n ASN 192 Cb 0.54 -3.63 0.02 0.00 -0.61 0.00 0.00 39.78 36.09 1mem n ASN 192 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1mem n LYS 193 N -2.54 4.14 -3.47 3.52 4.01 -1.26 -4.83 118.16 117.73 1mem n LYS 193 Ca -0.16 -4.23 -0.18 0.00 -0.51 0.00 0.00 58.31 53.23 1mem n LYS 193 Cb 0.52 -2.36 0.07 0.00 -0.51 0.00 0.00 35.03 32.75 1mem n LYS 193 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1mem n ASN 194 N -0.28 -2.52 -3.64 4.39 4.13 -1.26 -3.21 115.26 112.86 1mem n ASN 194 Ca 0.48 -0.69 -0.22 0.00 1.68 0.00 0.00 54.58 55.84 1mem n ASN 194 Cb 0.28 -4.86 0.04 0.00 -1.54 0.00 0.00 39.78 33.70 1mem n ASN 194 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1mem n ASN 198 N -3.12 -2.18 -4.67 6.41 5.15 -1.26 -4.84 115.26 110.75 1mem n ASN 198 Ca -0.26 -0.82 -0.47 0.00 -0.60 0.00 0.00 54.58 52.43 1mem n ASN 198 Cb 0.66 -4.14 -0.04 0.00 -0.53 0.00 0.00 39.78 35.73 1mem n ASN 198 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mem n ALA 199 N -4.16 1.11 -1.11 5.20 0.00 -1.20 -1.10 120.51 119.26 1mem n ALA 199 Ca -0.26 0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.54 1mem n ALA 199 Cb 0.66 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.71 1mem n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mem n GLY 201 N -0.41 0.20 0.41 0.00 0.00 -0.26 -1.60 105.19 103.53 1mem n GLY 201 Ca -0.04 -0.46 0.22 0.00 0.00 0.00 0.00 46.02 45.74 1mem n GLY 201 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1mem h ILE 202 N 0.00 0.68 -0.43 -0.61 2.10 -1.66 -1.15 117.51 116.44 1mem h ILE 202 Ca -0.25 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1mem h ILE 202 Cb 1.08 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 37.37 1mem h ILE 202 CO 0.30 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 177.39 1mem n ALA 203 N -2.63 3.30 0.08 0.18 0.00 -1.26 -4.46 120.51 115.72 1mem n ALA 203 Ca 0.14 -2.02 0.06 0.00 0.00 0.00 0.00 53.44 51.62 1mem n ALA 203 Cb 0.72 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 1mem n ALA 203 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1mem h ASN 204 N 2.91 0.00 -1.18 0.00 2.35 -1.49 0.75 115.58 118.92 1mem h ASN 204 Ca 0.00 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.37 1mem h ASN 204 Cb 1.62 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 39.69 1mem h ASN 204 CO 0.32 0.29 -0.89 -0.11 -1.65 0.00 0.00 177.43 175.38 1mem n LEU 205 N -2.83 -0.45 -4.88 1.61 7.94 -1.26 -4.62 117.00 112.51 1mem n LEU 205 Ca -0.04 -4.47 -0.37 0.00 -1.11 0.00 0.00 56.01 50.02 1mem n LEU 205 Cb 0.69 0.80 -0.06 0.00 0.53 0.00 0.00 43.42 45.38 1mem n LEU 205 CO 0.41 2.20 -0.15 0.00 -1.11 0.00 0.00 177.39 178.74 1mem s ALA 206 N -1.35 3.87 0.13 1.96 0.00 -1.26 -3.42 121.76 121.69 1mem s ALA 206 Ca 0.33 -0.62 -0.20 0.00 0.00 0.00 0.00 51.96 51.47 1mem s ALA 206 Cb 0.33 -2.00 0.05 0.00 0.00 0.00 0.00 23.12 21.50 1mem s ALA 206 CO -0.07 0.61 0.50 -1.54 0.00 0.00 0.00 175.76 175.27 1mem s SER 207 N -1.06 -0.40 -0.02 0.00 1.04 -0.75 -0.69 113.70 111.81 1mem s SER 207 Ca 0.16 -0.13 -0.10 0.00 0.48 0.00 0.00 55.95 56.35 1mem s SER 207 Cb -0.12 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.54 1mem s SER 207 CO 0.05 -0.90 0.22 0.72 0.98 0.00 0.00 173.24 174.32 1mem s PHE 208 N -3.67 -0.10 0.52 5.02 -0.12 -0.60 -1.46 117.98 117.58 1mem s PHE 208 Ca 0.01 0.15 -0.05 0.00 -0.05 0.00 0.00 56.93 56.99 1mem s PHE 208 Cb 0.00 0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.41 1mem s PHE 208 CO -0.12 -0.30 0.83 -1.25 -0.05 0.00 0.00 175.22 174.33 1mem s PRO 209 N -1.12 3.30 -0.03 1.99 0.04 -1.26 -0.70 135.00 137.22 1mem s PRO 209 Ca -0.12 0.12 -0.00 0.00 0.04 0.00 0.00 61.00 61.04 1mem s PRO 209 Cb -0.06 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1mem s PRO 209 CO 0.02 -0.40 0.02 0.15 0.04 0.00 0.00 177.00 176.84 1mem s LYS 210 N -4.84 2.91 0.00 4.56 -0.14 0.80 -4.86 119.74 118.18 1mem s LYS 210 Ca 0.50 -0.51 0.00 0.00 -1.36 0.00 0.00 55.97 54.60 1mem s LYS 210 Cb -0.10 -2.75 0.00 0.00 -1.68 0.00 0.00 37.83 33.29 1mem s LYS 210 CO 0.45 0.66 0.34 -1.33 -0.76 0.00 0.00 175.35 174.71