#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 9pap s PRO 2 N 0.00 0.79 0.20 6.28 0.02 -1.26 -4.95 135.00 136.08 9pap s PRO 2 Ca 0.00 1.42 -0.03 0.00 0.02 0.00 0.00 61.00 62.41 9pap s PRO 2 Cb 0.00 -1.71 0.13 0.00 0.02 0.00 0.00 34.50 32.94 9pap s PRO 2 CO 0.00 -2.74 1.52 1.49 -0.33 0.00 0.00 177.00 176.94 9pap h GLU 3 N -1.95 0.56 -5.75 5.54 4.81 -2.00 -3.43 114.58 112.36 9pap h GLU 3 Ca -0.46 -0.34 -0.65 0.00 -0.13 0.00 0.00 59.36 57.78 9pap h GLU 3 Cb 1.28 0.03 -0.32 0.00 0.63 0.00 0.00 28.75 30.38 9pap h GLU 3 CO 0.43 0.94 -0.87 0.71 -0.73 0.00 0.00 179.01 179.50 9pap s TYR 4 N -4.03 2.23 -0.06 0.92 2.02 -1.26 -3.88 117.35 113.29 9pap s TYR 4 Ca -0.07 -0.68 0.01 0.00 -0.37 0.00 0.00 57.07 55.96 9pap s TYR 4 Cb 0.11 -1.48 0.02 0.00 -0.40 0.00 0.00 41.96 40.22 9pap s TYR 4 CO 0.84 -0.22 -0.07 0.08 -1.57 0.00 0.00 175.55 174.60 9pap s VAL 5 N -0.06 0.80 -0.28 0.71 1.01 0.48 -4.96 120.40 118.10 9pap s VAL 5 Ca -0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 9pap s VAL 5 Cb -0.13 -0.79 0.09 0.00 0.00 0.00 0.00 36.38 35.55 9pap s VAL 5 CO 0.04 0.29 0.11 -0.62 0.00 0.00 0.00 175.10 174.91 9pap s ASP 6 N 0.94 3.55 0.37 3.32 -1.08 -1.26 -0.82 116.67 121.68 9pap s ASP 6 Ca -0.10 -1.30 0.27 0.00 -0.52 0.00 0.00 52.55 50.89 9pap s ASP 6 Cb -0.15 -0.52 1.24 0.00 -1.46 0.00 0.00 42.92 42.03 9pap s ASP 6 CO 0.00 -0.41 1.81 -0.50 0.52 0.00 0.00 175.17 176.59 9pap h TRP 7 N 8.30 0.00 -0.25 -5.34 4.06 -1.57 -1.55 115.95 119.59 9pap h TRP 7 Ca -0.17 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.60 9pap h TRP 7 Cb 1.03 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.19 9pap h TRP 7 CO 0.30 0.00 -0.56 0.00 -3.56 0.00 0.00 178.44 174.62 9pap h ARG 8 N 0.00 0.79 -0.12 0.49 3.08 -1.92 0.88 114.38 117.58 9pap h ARG 8 Ca 0.00 -0.50 -0.11 0.00 0.07 0.00 0.00 59.98 59.44 9pap h ARG 8 Cb 0.26 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 9pap h ARG 8 CO 0.00 1.13 -0.41 1.96 -1.07 0.00 0.00 179.97 181.58 9pap h GLN 9 N 0.60 0.27 -0.05 0.04 4.20 -1.69 -0.86 115.11 117.62 9pap h GLN 9 Ca 0.01 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.59 9pap h GLN 9 Cb 1.15 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 9pap h GLN 9 CO 0.12 0.64 0.00 1.63 -0.67 0.00 0.00 178.83 180.55 9pap n LYS 10 N -4.03 1.29 -1.33 1.46 5.02 -1.10 -4.92 118.16 114.55 9pap n LYS 10 Ca -0.01 -0.43 -0.01 0.00 -2.02 0.00 0.00 58.31 55.83 9pap n LYS 10 Cb 0.48 -1.38 -0.00 0.00 -0.02 0.00 0.00 35.03 34.11 9pap n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 9pap n GLY 11 N 0.97 0.44 0.86 0.72 0.00 -0.33 -4.97 105.19 102.88 9pap n GLY 11 Ca 0.17 -0.97 0.08 0.00 0.00 0.00 0.00 46.02 45.30 9pap n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9pap n ALA 12 N 0.42 2.27 -3.69 4.61 0.00 0.27 -4.83 120.51 119.57 9pap n ALA 12 Ca -0.02 -1.14 -0.22 0.00 0.00 0.00 0.00 53.44 52.07 9pap n ALA 12 Cb 0.18 -0.60 -0.17 0.00 0.00 0.00 0.00 19.45 18.86 9pap n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 9pap s VAL 13 N -1.03 0.65 0.65 0.00 1.01 -1.24 -3.71 120.40 116.72 9pap s VAL 13 Ca 0.31 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 9pap s VAL 13 Cb 0.16 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.88 9pap s VAL 13 CO 0.22 0.27 0.98 0.42 0.00 0.00 0.00 175.10 176.99 9pap s THR 14 N 1.28 3.16 0.82 3.92 -4.23 -1.26 -4.93 115.64 114.41 9pap s THR 14 Ca -0.05 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.31 9pap s THR 14 Cb -0.14 -3.31 -0.06 0.00 1.34 0.00 0.00 72.50 70.34 9pap s THR 14 CO -0.02 -0.34 0.11 -2.65 -0.54 0.00 0.00 174.62 171.18 9pap n PRO 15 N -2.78 0.03 -2.47 3.99 -0.02 -1.26 -4.93 135.00 127.57 9pap n PRO 15 Ca 0.06 0.04 -0.38 0.00 -2.02 0.00 0.00 63.50 61.20 9pap n PRO 15 Cb 0.58 -1.55 -0.04 0.00 -0.02 0.00 0.00 33.50 32.48 9pap n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 9pap s VAL 16 N -2.08 3.52 0.39 -1.45 1.01 -1.26 -5.04 120.40 115.50 9pap s VAL 16 Ca 0.56 1.32 0.08 0.00 0.00 0.00 0.00 61.98 63.94 9pap s VAL 16 Cb -0.29 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 9pap s VAL 16 CO 0.67 0.16 0.12 -0.54 0.00 0.00 0.00 175.10 175.51 9pap s LYS 17 N -2.06 2.17 -0.18 2.72 -0.14 -1.26 -4.83 119.74 116.15 9pap s LYS 17 Ca 0.53 -1.84 0.01 0.00 -1.36 0.00 0.00 55.97 53.31 9pap s LYS 17 Cb -0.27 -1.94 0.02 0.00 -1.68 0.00 0.00 37.83 33.96 9pap s LYS 17 CO 0.35 -0.04 -0.18 1.21 -0.76 0.00 0.00 175.35 175.92 9pap s ASN 18 N -3.84 3.18 0.31 2.83 3.84 -1.26 -1.76 114.94 118.24 9pap s ASN 18 Ca 0.39 -0.69 0.25 0.00 0.21 0.00 0.00 52.86 53.02 9pap s ASN 18 Cb 0.03 -1.44 0.71 0.00 -0.55 0.00 0.00 41.25 40.00 9pap s ASN 18 CO 0.21 -0.02 1.73 0.06 -2.79 0.00 0.00 177.10 176.29 9pap h GLN 19 N 7.94 0.00 0.00 0.43 3.07 -1.30 -3.47 115.11 121.78 9pap h GLN 19 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 9pap h GLN 19 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.69 9pap h GLN 19 CO 0.61 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.94 9pap n GLY 20 N 1.05 0.60 2.65 0.06 0.00 -1.26 -3.83 105.19 104.45 9pap n GLY 20 Ca 0.04 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 9pap n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 9pap n SER 21 N -0.17 7.10 -3.79 1.61 3.41 -1.26 -4.84 113.62 115.68 9pap n SER 21 Ca 0.00 -3.46 -0.14 0.00 -0.26 0.00 0.00 58.87 55.01 9pap n SER 21 Cb 0.00 -1.19 -0.15 0.00 -0.26 0.00 0.00 64.21 62.61 9pap n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 9pap n GLY 23 N 3.91 4.90 3.28 0.00 0.00 0.19 -4.90 105.19 112.57 9pap n GLY 23 Ca -0.24 -2.20 -0.45 0.00 0.00 0.00 0.00 46.02 43.14 9pap n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 9pap s SER 24 N 0.32 6.43 0.00 1.61 1.04 -1.26 -1.13 113.70 120.72 9pap s SER 24 Ca 0.39 -2.73 0.00 0.00 0.48 0.00 0.00 55.95 54.09 9pap s SER 24 Cb 0.10 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 64.08 9pap s SER 24 CO 0.01 -0.53 0.00 -2.67 0.98 0.00 0.00 173.24 171.03 9pap n TRP 26 N 3.87 0.00 0.09 5.02 4.27 -1.26 -2.27 117.44 127.15 9pap n TRP 26 Ca 0.12 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.52 9pap n TRP 26 Cb 0.45 0.00 -0.15 0.00 -1.36 0.00 0.00 31.31 30.25 9pap n TRP 26 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 9pap h ALA 27 N 0.00 0.12 -0.33 -1.67 0.00 -1.92 -2.58 119.26 112.88 9pap h ALA 27 Ca 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 54.91 53.82 9pap h ALA 27 Cb 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 9pap h ALA 27 CO 0.00 0.98 0.12 0.74 0.00 0.00 0.00 179.25 181.10 9pap h PHE 28 N 0.11 0.51 0.16 0.00 -1.00 -1.79 -0.74 116.94 114.19 9pap h PHE 28 Ca -0.29 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.44 9pap h PHE 28 Cb 2.09 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 41.50 9pap h PHE 28 CO 0.10 0.49 -0.08 1.03 -1.61 0.00 0.00 178.31 178.24 9pap h SER 29 N 0.38 -0.18 -0.76 2.17 0.87 -1.80 -2.01 113.55 112.22 9pap h SER 29 Ca 0.11 -0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.70 9pap h SER 29 Cb 0.21 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 9pap h SER 29 CO -0.01 -0.10 0.47 0.00 -0.53 0.00 0.00 176.83 176.66 9pap h ALA 30 N 0.59 1.01 -0.41 6.23 0.00 -1.30 -2.76 119.26 122.63 9pap h ALA 30 Ca -0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 9pap h ALA 30 Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 9pap h ALA 30 CO 0.04 0.22 -0.11 0.28 0.00 0.00 0.00 179.25 179.68 9pap h VAL 31 N 0.89 1.25 -0.75 0.00 2.07 -0.84 -1.36 116.25 117.51 9pap h VAL 31 Ca 0.32 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.74 9pap h VAL 31 Cb 0.09 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 9pap h VAL 31 CO -0.14 0.39 0.46 -0.37 0.02 0.00 0.00 177.57 177.93 9pap h VAL 32 N 0.66 1.07 -0.34 2.57 -1.51 -1.07 0.67 116.25 118.31 9pap h VAL 32 Ca 0.11 -0.30 -0.07 0.00 -1.23 0.00 0.00 66.70 65.21 9pap h VAL 32 Cb 0.57 0.11 -0.02 0.00 -2.13 0.00 0.00 31.29 29.83 9pap h VAL 32 CO 0.04 0.16 -0.09 0.71 -1.23 0.00 0.00 177.57 177.16 9pap h THR 33 N 0.88 1.23 -0.01 7.19 1.35 -1.35 -1.62 112.91 120.58 9pap h THR 33 Ca 0.31 -0.99 -0.00 0.00 -0.55 0.00 0.00 66.41 65.17 9pap h THR 33 Cb 0.07 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 9pap h THR 33 CO -0.13 0.33 -0.01 0.40 -0.25 0.00 0.00 175.52 175.85 9pap h ILE 34 N 0.52 1.46 -0.88 6.82 2.04 -0.42 -1.50 117.51 125.55 9pap h ILE 34 Ca 0.10 -1.37 0.15 0.00 1.00 0.00 0.00 64.86 64.74 9pap h ILE 34 Cb 0.47 2.37 -0.09 0.00 -0.74 0.00 0.00 36.82 38.82 9pap h ILE 34 CO 0.03 0.36 0.48 -0.33 0.00 0.00 0.00 178.15 178.68 9pap h GLU 35 N -0.55 0.66 0.28 2.37 5.08 -0.85 -1.86 114.58 119.71 9pap h GLU 35 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 9pap h GLU 35 Cb 0.59 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.70 9pap h GLU 35 CO 0.00 0.43 -0.13 0.78 -1.00 0.00 0.00 179.01 179.09 9pap h GLY 36 N 0.68 -0.39 1.86 -3.84 0.00 -1.28 -2.07 103.07 98.02 9pap h GLY 36 Ca 0.48 0.15 -0.14 0.00 0.00 0.00 0.00 47.33 47.82 9pap h GLY 36 CO -0.35 -0.14 -0.60 1.19 0.00 0.00 0.00 176.54 176.63 9pap h ILE 37 N -0.43 1.41 -0.36 2.60 6.09 -1.16 -1.45 117.51 124.21 9pap h ILE 37 Ca -0.04 -2.02 -0.10 0.00 -1.37 0.00 0.00 64.86 61.34 9pap h ILE 37 Cb 0.33 2.05 -0.01 0.00 0.47 0.00 0.00 36.82 39.65 9pap h ILE 37 CO 0.06 0.59 -0.17 0.40 -3.07 0.00 0.00 178.15 175.96 9pap h ILE 38 N 0.11 1.29 0.02 2.19 1.08 -1.40 0.50 117.51 121.29 9pap h ILE 38 Ca -0.01 -1.29 -0.00 0.00 -0.39 0.00 0.00 64.86 63.17 9pap h ILE 38 Cb 1.09 1.36 0.00 0.00 -3.07 0.00 0.00 36.82 36.20 9pap h ILE 38 CO 0.09 0.42 -0.01 0.50 -0.69 0.00 0.00 178.15 178.46 9pap h LYS 39 N 0.53 -0.03 -0.31 2.37 1.63 -1.17 0.15 116.57 119.74 9pap h LYS 39 Ca 0.08 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.93 9pap h LYS 39 Cb 0.71 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.30 9pap h LYS 39 CO 0.05 -0.01 0.02 0.82 -3.45 0.00 0.00 179.45 176.88 9pap h ILE 40 N -0.03 0.80 0.00 2.00 2.04 -1.05 0.16 117.51 121.43 9pap h ILE 40 Ca -0.00 -0.04 -0.17 0.00 1.00 0.00 0.00 64.86 65.65 9pap h ILE 40 Cb 0.02 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 9pap h ILE 40 CO 0.00 0.02 -0.86 0.03 0.00 0.00 0.00 178.15 177.35 9pap h ARG 41 N 0.12 0.00 0.00 2.37 2.47 -0.82 -3.40 114.38 115.13 9pap h ARG 41 Ca 0.15 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.76 9pap h ARG 41 Cb 0.19 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.49 9pap h ARG 41 CO -0.23 0.75 -1.64 0.25 0.56 0.00 0.00 179.97 179.66 9pap n THR 42 N -3.27 0.40 -0.11 2.04 -2.24 0.51 -5.01 114.28 106.61 9pap n THR 42 Ca -0.00 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 9pap n THR 42 Cb 0.86 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 9pap n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 9pap n GLY 43 N 2.12 1.26 3.77 3.38 0.00 0.56 -5.04 105.19 111.23 9pap n GLY 43 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 9pap n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 9pap s ASN 44 N -2.95 6.43 -0.34 1.61 0.02 -1.25 -4.96 114.94 113.50 9pap s ASN 44 Ca 0.00 0.51 -0.12 0.00 -1.02 0.00 0.00 52.86 52.23 9pap s ASN 44 Cb 0.00 -2.15 -0.01 0.00 0.02 0.00 0.00 41.25 39.11 9pap s ASN 44 CO 0.00 0.20 0.23 -0.22 0.02 0.00 0.00 177.10 177.33 9pap s LEU 45 N -0.01 4.52 0.28 0.60 2.96 -1.26 -3.30 118.68 122.47 9pap s LEU 45 Ca 0.16 -0.53 0.08 0.00 -0.22 0.00 0.00 54.13 53.62 9pap s LEU 45 Cb -0.13 -2.11 -0.06 0.00 0.50 0.00 0.00 46.19 44.40 9pap s LEU 45 CO 0.04 -0.26 -0.09 0.20 -1.32 0.00 0.00 176.35 174.92 9pap s ASN 46 N 1.69 2.95 -0.07 3.68 -0.87 -1.26 -5.10 114.94 115.96 9pap s ASN 46 Ca 0.05 -1.16 -0.02 0.00 -1.57 0.00 0.00 52.86 50.17 9pap s ASN 46 Cb -0.18 -0.20 -0.04 0.00 -0.02 0.00 0.00 41.25 40.82 9pap s ASN 46 CO 0.09 -0.27 0.03 -1.10 -2.57 0.00 0.00 177.10 173.29 9pap s GLN 47 N -3.68 3.04 0.38 -0.60 -0.21 -1.26 -4.75 119.66 112.59 9pap s GLN 47 Ca 0.29 -0.40 0.08 0.00 0.02 0.00 0.00 55.36 55.35 9pap s GLN 47 Cb 0.02 -2.85 -0.06 0.00 1.00 0.00 0.00 33.01 31.12 9pap s GLN 47 CO 0.12 0.70 0.08 0.71 -2.12 0.00 0.00 175.29 174.78 9pap s TYR 48 N -0.97 2.57 -0.30 0.91 1.51 -1.26 -1.05 117.35 118.76 9pap s TYR 48 Ca 0.16 -0.54 -0.21 0.00 -1.01 0.00 0.00 57.07 55.46 9pap s TYR 48 Cb -0.12 -1.73 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 9pap s TYR 48 CO 0.05 0.36 0.69 0.45 -1.11 0.00 0.00 175.55 175.99 9pap s SER 49 N -3.79 6.58 0.17 2.29 0.15 -0.77 -4.28 113.70 114.06 9pap s SER 49 Ca 0.37 0.57 -0.02 0.00 0.70 0.00 0.00 55.95 57.58 9pap s SER 49 Cb 0.03 -2.36 0.05 0.00 -1.71 0.00 0.00 66.02 62.03 9pap s SER 49 CO 0.20 -0.51 1.43 -0.33 1.20 0.00 0.00 173.24 175.23 9pap h GLU 50 N 8.10 0.40 -0.58 5.44 3.07 -1.87 -3.05 114.58 126.09 9pap h GLU 50 Ca -0.26 -0.33 -0.06 0.00 -0.50 0.00 0.00 59.36 58.21 9pap h GLU 50 Cb 1.11 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 9pap h GLU 50 CO 0.83 0.98 0.12 0.37 -1.40 0.00 0.00 179.01 179.90 9pap h GLN 51 N 0.27 0.92 -0.61 2.33 5.75 -1.86 -1.38 115.11 120.55 9pap h GLN 51 Ca -0.03 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.23 9pap h GLN 51 Cb 1.31 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.71 9pap h GLN 51 CO 0.13 0.84 0.28 1.49 -2.65 0.00 0.00 178.83 178.91 9pap h GLU 52 N 0.88 0.86 -0.16 1.69 4.81 -1.76 0.01 114.58 120.91 9pap h GLU 52 Ca 0.19 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 9pap h GLU 52 Cb 0.35 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.57 9pap h GLU 52 CO 0.00 0.68 -0.47 -0.07 -0.73 0.00 0.00 179.01 178.43 9pap h LEU 53 N 0.86 0.69 -0.67 1.64 3.38 -1.40 -1.33 115.31 118.48 9pap h LEU 53 Ca 0.21 -0.59 0.14 0.00 0.09 0.00 0.00 57.88 57.73 9pap h LEU 53 Cb 0.11 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.56 9pap h LEU 53 CO -0.03 1.16 0.15 0.25 0.09 0.00 0.00 178.44 180.07 9pap h LEU 54 N 0.26 0.00 -0.11 1.67 6.46 -0.61 0.41 115.31 123.39 9pap h LEU 54 Ca -0.01 0.13 -0.20 0.00 -0.12 0.00 0.00 57.88 57.68 9pap h LEU 54 Cb 1.09 0.18 0.01 0.00 -0.73 0.00 0.00 40.66 41.21 9pap h LEU 54 CO 0.10 -0.02 -0.72 0.44 -0.62 0.00 0.00 178.44 177.63 9pap h ASP 55 N 0.26 0.83 0.00 1.25 3.32 -0.95 -3.38 116.42 117.75 9pap h ASP 55 Ca 0.37 -0.65 0.00 0.00 0.02 0.00 0.00 57.03 56.76 9pap h ASP 55 Cb 0.59 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.89 9pap h ASP 55 CO -0.46 1.35 -1.17 0.00 -1.72 0.00 0.00 179.24 177.23 9pap s ASP 57 N -3.12 6.29 0.00 0.00 2.15 0.14 -4.85 116.67 117.28 9pap s ASP 57 Ca 0.02 -0.56 0.17 0.00 0.43 0.00 0.00 52.55 52.61 9pap s ASP 57 Cb 0.12 -2.40 0.48 0.00 -0.30 0.00 0.00 42.92 40.82 9pap s ASP 57 CO 0.70 -1.19 1.39 0.54 -0.17 0.00 0.00 175.17 176.45 9pap n ARG 58 N 7.23 2.13 0.08 4.34 5.12 -1.26 -2.96 116.66 131.34 9pap n ARG 58 Ca -0.01 -1.75 -0.02 0.00 -1.93 0.00 0.00 57.85 54.14 9pap n ARG 58 Cb 0.47 -1.40 -0.06 0.00 -1.16 0.00 0.00 32.46 30.31 9pap n ARG 58 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 9pap h ARG 59 N 2.97 0.00 0.00 5.56 3.08 -1.98 -3.46 114.38 120.55 9pap h ARG 59 Ca 0.00 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.61 9pap h ARG 59 Cb 0.67 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.81 9pap h ARG 59 CO 0.00 0.63 0.13 0.43 -1.07 0.00 0.00 179.97 180.09 9pap n SER 60 N -3.19 1.23 -1.41 7.04 7.64 -1.15 -4.86 113.62 118.92 9pap n SER 60 Ca -0.03 -2.06 -0.07 0.00 1.01 0.00 0.00 58.87 57.73 9pap n SER 60 Cb 0.85 -0.65 0.11 0.00 -1.01 0.00 0.00 64.21 63.51 9pap n SER 60 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 9pap n TYR 61 N -2.87 1.23 0.00 1.43 4.01 0.12 -4.97 117.16 116.10 9pap n TYR 61 Ca 0.16 -1.77 0.00 0.00 -0.16 0.00 0.00 57.90 56.13 9pap n TYR 61 Cb 0.57 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 9pap n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 9pap n GLY 62 N -0.80 3.42 0.00 2.72 0.00 -1.22 -1.73 105.19 107.59 9pap n GLY 62 Ca 0.28 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.48 9pap n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9pap n ASN 64 N -0.81 3.73 0.00 0.00 4.13 -0.71 0.53 115.26 122.13 9pap n ASN 64 Ca 0.09 -3.16 0.00 0.00 1.68 0.00 0.00 54.58 53.20 9pap n ASN 64 Cb 0.04 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 37.71 9pap n ASN 64 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 9pap n GLY 65 N -0.59 0.71 0.00 7.41 0.00 -0.28 -4.83 105.19 107.62 9pap n GLY 65 Ca 0.25 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.28 9pap n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9pap n GLY 66 N 0.93 -1.43 3.10 -0.02 0.00 -1.26 0.13 105.19 106.64 9pap n GLY 66 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 9pap n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 9pap s TYR 67 N -2.86 2.35 0.41 1.61 1.51 -1.26 -4.81 117.35 114.30 9pap s TYR 67 Ca 0.00 -1.19 0.08 0.00 -1.01 0.00 0.00 57.07 54.95 9pap s TYR 67 Cb 0.00 -1.65 0.86 0.00 -0.11 0.00 0.00 41.96 41.06 9pap s TYR 67 CO 0.00 -0.58 2.02 -1.35 -1.11 0.00 0.00 175.55 174.53 9pap h PRO 68 N 7.49 0.43 0.00 -1.71 0.11 -2.00 -1.08 132.00 135.24 9pap h PRO 68 Ca -0.34 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.63 9pap h PRO 68 Cb 1.17 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 9pap h PRO 68 CO 0.53 0.35 -0.49 0.11 -0.21 0.00 0.00 178.00 178.29 9pap h TRP 69 N 0.43 0.00 -0.07 0.65 5.08 -1.95 0.85 115.95 120.94 9pap h TRP 69 Ca 0.11 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.86 9pap h TRP 69 Cb 0.07 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.25 9pap h TRP 69 CO 0.00 0.49 -0.81 1.03 -1.28 0.00 0.00 178.44 177.87 9pap h SER 70 N 0.00 0.84 -0.66 0.11 0.87 -1.67 -0.66 113.55 112.38 9pap h SER 70 Ca -0.00 -0.69 -0.02 0.00 -1.23 0.00 0.00 61.79 59.85 9pap h SER 70 Cb 0.88 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 9pap h SER 70 CO 0.06 1.40 0.34 0.00 -0.53 0.00 0.00 176.83 178.11 9pap h ALA 71 N 0.46 1.32 -0.30 6.23 0.00 -0.69 -1.34 119.26 124.94 9pap h ALA 71 Ca -0.08 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 9pap h ALA 71 Cb 1.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 9pap h ALA 71 CO 0.16 0.54 -0.43 -0.07 0.00 0.00 0.00 179.25 179.45 9pap h LEU 72 N 0.96 0.81 -0.83 0.00 3.38 -0.72 -1.84 115.31 117.07 9pap h LEU 72 Ca 0.24 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 9pap h LEU 72 Cb 0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 9pap h LEU 72 CO -0.03 1.12 0.10 -0.61 0.09 0.00 0.00 178.44 179.11 9pap h GLN 73 N 0.61 0.98 -0.64 1.13 4.15 -0.64 -2.29 115.11 118.40 9pap h GLN 73 Ca 0.04 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.18 9pap h GLN 73 Cb 0.98 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.52 9pap h GLN 73 CO 0.09 0.90 0.24 1.25 -1.93 0.00 0.00 178.83 179.38 9pap h LEU 74 N 0.92 0.89 -1.01 -2.39 6.46 -0.78 -0.92 115.31 118.49 9pap h LEU 74 Ca 0.19 -0.18 -0.10 0.00 -0.12 0.00 0.00 57.88 57.67 9pap h LEU 74 Cb 0.40 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 9pap h LEU 74 CO 0.01 0.83 -0.45 0.58 -0.62 0.00 0.00 178.44 178.79 9pap h VAL 75 N 0.90 1.18 0.00 1.05 2.07 -0.97 0.21 116.25 120.69 9pap h VAL 75 Ca 0.21 -1.64 -0.10 0.00 0.82 0.00 0.00 66.70 66.00 9pap h VAL 75 Cb 0.23 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 9pap h VAL 75 CO -0.01 0.45 -0.47 0.00 0.02 0.00 0.00 177.57 177.55 9pap h ALA 76 N 1.55 0.95 0.00 1.67 0.00 -0.93 -2.04 119.26 120.46 9pap h ALA 76 Ca -0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 9pap h ALA 76 Cb 0.88 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 9pap h ALA 76 CO 0.06 0.59 -0.60 1.96 0.00 0.00 0.00 179.25 181.26 9pap h GLN 77 N 0.00 0.00 0.00 0.00 4.20 -0.80 -3.43 115.11 115.08 9pap h GLN 77 Ca -0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.51 9pap h GLN 77 Cb 1.01 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 9pap h GLN 77 CO 0.06 0.77 -1.51 0.66 -0.67 0.00 0.00 178.83 178.15 9pap n TYR 78 N -4.55 0.00 0.00 2.96 4.01 0.69 -5.10 117.16 115.18 9pap n TYR 78 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 9pap n TYR 78 Cb 0.49 -0.54 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 9pap n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 9pap n GLY 79 N 1.95 0.44 3.06 2.72 0.00 -0.77 -4.89 105.19 107.70 9pap n GLY 79 Ca -0.26 -2.21 -0.11 0.00 0.00 0.00 0.00 46.02 43.44 9pap n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 9pap s ILE 80 N -0.50 0.08 0.53 -0.61 2.07 -0.29 -4.49 121.20 117.98 9pap s ILE 80 Ca 0.00 -0.63 -0.03 0.00 -1.41 0.00 0.00 60.65 58.58 9pap s ILE 80 Cb 0.00 -0.36 0.00 0.00 0.13 0.00 0.00 42.46 42.23 9pap s ILE 80 CO 0.00 -0.35 0.80 -1.00 -1.91 0.00 0.00 174.94 172.48 9pap s HIS 81 N -1.18 3.23 0.59 3.50 3.76 -1.26 -0.47 115.29 123.46 9pap s HIS 81 Ca -0.13 0.46 -0.20 0.00 -0.15 0.00 0.00 55.06 55.04 9pap s HIS 81 Cb -0.07 -2.56 -0.03 0.00 1.11 0.00 0.00 32.58 31.02 9pap s HIS 81 CO 0.01 -0.63 1.28 0.71 -0.85 0.00 0.00 174.74 175.26 9pap s TYR 82 N -2.80 2.29 0.25 1.40 2.02 -1.26 -1.84 117.35 117.41 9pap s TYR 82 Ca 0.52 1.46 -0.04 0.00 -0.37 0.00 0.00 57.07 58.64 9pap s TYR 82 Cb -0.10 -3.64 0.37 0.00 -0.40 0.00 0.00 41.96 38.18 9pap s TYR 82 CO 0.42 -2.60 1.87 -0.09 -1.57 0.00 0.00 175.55 173.58 9pap h ARG 83 N 1.04 1.05 -0.96 -0.62 2.43 -1.27 -1.53 114.38 114.52 9pap h ARG 83 Ca -0.51 -0.06 0.15 0.00 -0.81 0.00 0.00 59.98 58.75 9pap h ARG 83 Cb 1.31 -0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 30.54 9pap h ARG 83 CO 0.55 0.70 0.60 -0.97 -1.51 0.00 0.00 179.97 179.35 9pap h ASN 84 N 1.09 0.75 1.31 -3.80 -1.24 -1.92 -1.33 115.58 110.44 9pap h ASN 84 Ca 0.40 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.47 9pap h ASN 84 Cb 0.16 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.12 9pap h ASN 84 CO -0.17 0.35 -0.65 0.71 -1.29 0.00 0.00 177.43 176.39 9pap h THR 85 N 0.78 0.00 -1.76 -3.57 1.35 -1.67 -3.40 112.91 104.63 9pap h THR 85 Ca 0.50 -0.96 -0.51 0.00 -0.55 0.00 0.00 66.41 64.89 9pap h THR 85 Cb 0.73 1.63 -0.35 0.00 -1.73 0.00 0.00 68.15 68.43 9pap h THR 85 CO -0.26 0.00 -0.99 0.00 -0.25 0.00 0.00 175.52 174.02 9pap n TYR 86 N -2.77 -0.98 -1.75 4.73 -0.00 -0.79 -5.03 117.16 110.58 9pap n TYR 86 Ca 0.02 -3.21 -0.32 0.00 -0.00 0.00 0.00 57.90 54.39 9pap n TYR 86 Cb 0.53 0.07 0.04 0.00 -0.00 0.00 0.00 39.34 39.98 9pap n TYR 86 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 9pap s PRO 87 N -0.66 2.91 0.19 2.98 0.04 -0.54 -4.44 135.00 135.49 9pap s PRO 87 Ca 0.34 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 9pap s PRO 87 Cb 0.15 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.64 9pap s PRO 87 CO -0.14 -1.14 1.10 -0.47 0.04 0.00 0.00 177.00 176.39 9pap s TYR 88 N -2.57 3.60 -0.03 0.56 5.04 -1.26 -4.76 117.35 117.93 9pap s TYR 88 Ca 0.64 1.62 0.04 0.00 -2.44 0.00 0.00 57.07 56.92 9pap s TYR 88 Cb -0.17 -3.27 -0.06 0.00 0.35 0.00 0.00 41.96 38.80 9pap s TYR 88 CO 0.44 -0.58 0.10 0.39 -1.34 0.00 0.00 175.55 174.56 9pap n GLU 89 N 2.19 0.75 -1.44 4.97 1.02 -1.26 -5.03 120.64 121.83 9pap n GLU 89 Ca 0.02 -0.03 -0.04 0.00 -0.02 0.00 0.00 57.16 57.08 9pap n GLU 89 Cb 0.46 -1.05 -0.01 0.00 -0.02 0.00 0.00 31.44 30.81 9pap n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 9pap n GLY 90 N 2.13 0.54 3.09 0.62 0.00 -1.26 -5.00 105.19 105.31 9pap n GLY 90 Ca -0.01 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 9pap n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 9pap s VAL 91 N -2.18 -0.00 0.14 1.61 1.01 -1.26 -4.62 120.40 115.10 9pap s VAL 91 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 9pap s VAL 91 Cb 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 36.38 36.01 9pap s VAL 91 CO 0.00 0.00 1.06 -1.58 0.00 0.00 0.00 175.10 174.59 9pap s GLN 92 N 0.13 4.61 0.08 2.72 0.74 -1.26 -4.95 119.66 121.72 9pap s GLN 92 Ca -0.00 1.63 0.01 0.00 0.05 0.00 0.00 55.36 57.05 9pap s GLN 92 Cb -0.02 -3.32 -0.00 0.00 1.10 0.00 0.00 33.01 30.77 9pap s GLN 92 CO 0.00 0.08 0.02 0.54 -0.55 0.00 0.00 175.29 175.38 9pap n ARG 93 N 2.70 1.12 -1.90 1.67 3.00 -1.26 -5.06 116.66 116.93 9pap n ARG 93 Ca 0.03 -0.62 -0.39 0.00 -0.01 0.00 0.00 57.85 56.86 9pap n ARG 93 Cb 0.47 0.29 0.02 0.00 0.00 0.00 0.00 32.46 33.24 9pap n ARG 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 9pap s TYR 94 N -1.67 2.51 -0.13 -1.55 5.04 -1.26 -4.60 117.35 115.68 9pap s TYR 94 Ca 0.03 1.37 -0.29 0.00 -2.44 0.00 0.00 57.07 55.73 9pap s TYR 94 Cb 0.00 -3.76 -0.02 0.00 0.35 0.00 0.00 41.96 38.54 9pap s TYR 94 CO 0.02 -2.58 1.19 0.00 -1.34 0.00 0.00 175.55 172.84 9pap n ARG 96 N 5.95 2.88 -0.34 0.00 1.74 -1.26 -4.72 116.66 120.91 9pap n ARG 96 Ca 0.12 -2.22 -0.05 0.00 -0.77 0.00 0.00 57.85 54.93 9pap n ARG 96 Cb 0.46 -1.40 -0.01 0.00 -1.02 0.00 0.00 32.46 30.49 9pap n ARG 96 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 9pap h SER 97 N 1.85 -1.61 -0.80 0.55 0.02 -1.95 -2.23 113.55 109.38 9pap h SER 97 Ca 0.00 0.30 0.19 0.00 -0.84 0.00 0.00 61.79 61.44 9pap h SER 97 Cb 0.89 0.78 -0.13 0.00 0.14 0.00 0.00 62.40 64.09 9pap h SER 97 CO 0.05 -0.29 0.18 0.03 -1.14 0.00 0.00 176.83 175.67 9pap h ARG 98 N -0.06 0.22 0.00 3.45 -0.00 -1.84 -0.68 114.38 115.47 9pap h ARG 98 Ca 0.26 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.72 9pap h ARG 98 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.46 9pap h ARG 98 CO -0.89 0.15 0.00 0.39 0.00 0.00 0.00 179.97 179.61 9pap n GLU 99 N -5.21 0.86 -0.02 0.04 1.02 -0.84 -3.61 120.64 112.88 9pap n GLU 99 Ca 0.17 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.36 9pap n GLU 99 Cb 0.55 -1.46 0.05 0.00 -0.02 0.00 0.00 31.44 30.56 9pap n GLU 99 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 9pap n LYS 100 N -0.96 0.59 0.00 3.49 4.76 -0.26 -5.09 118.16 120.68 9pap n LYS 100 Ca 0.19 -1.16 0.00 0.00 -2.87 0.00 0.00 58.31 54.47 9pap n LYS 100 Cb 0.09 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 9pap n LYS 100 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 9pap n GLY 101 N 0.52 -3.14 3.52 0.72 0.00 -1.23 -4.92 105.19 100.66 9pap n GLY 101 Ca 0.06 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 9pap n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 9pap n PRO 102 N -0.27 0.34 -1.66 1.61 -0.02 -1.26 -4.72 135.00 129.01 9pap n PRO 102 Ca 0.00 0.16 -0.32 0.00 -2.02 0.00 0.00 63.50 61.32 9pap n PRO 102 Cb 0.00 -1.98 0.05 0.00 -0.02 0.00 0.00 33.50 31.55 9pap n PRO 102 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 9pap s TYR 103 N -1.91 2.74 -0.11 6.00 1.51 -1.26 -4.91 117.35 119.41 9pap s TYR 103 Ca 0.68 1.53 0.21 0.00 -1.01 0.00 0.00 57.07 58.48 9pap s TYR 103 Cb -0.34 -3.07 -0.22 0.00 -0.11 0.00 0.00 41.96 38.22 9pap s TYR 103 CO 0.56 -1.55 0.60 0.00 -1.11 0.00 0.00 175.55 174.05 9pap n ALA 104 N -2.72 2.45 -2.96 3.71 0.00 0.38 -4.94 120.51 116.44 9pap n ALA 104 Ca 0.09 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.86 9pap n ALA 104 Cb 0.53 -0.79 -0.05 0.00 0.00 0.00 0.00 19.45 19.13 9pap n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 9pap s ALA 105 N -3.27 -0.82 -0.10 0.00 0.00 -0.95 -5.00 121.76 111.63 9pap s ALA 105 Ca -0.06 -0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.64 9pap s ALA 105 Cb 0.11 0.57 0.04 0.00 0.00 0.00 0.00 23.12 23.84 9pap s ALA 105 CO 0.86 -0.57 0.47 0.21 0.00 0.00 0.00 175.76 176.72 9pap s LYS 106 N -3.47 0.70 0.53 0.00 2.20 -1.26 -1.14 119.74 117.29 9pap s LYS 106 Ca 0.01 0.30 0.06 0.00 -0.36 0.00 0.00 55.97 55.98 9pap s LYS 106 Cb 0.02 0.33 0.03 0.00 -1.51 0.00 0.00 37.83 36.69 9pap s LYS 106 CO -0.09 -0.16 0.39 0.95 -0.36 0.00 0.00 175.35 176.08 9pap s THR 107 N -0.56 1.76 -1.48 3.43 -4.23 -1.20 -5.00 115.64 108.38 9pap s THR 107 Ca -0.07 -1.49 0.17 0.00 -1.18 0.00 0.00 61.69 59.12 9pap s THR 107 Cb -0.03 -2.25 0.48 0.00 1.34 0.00 0.00 72.50 72.03 9pap s THR 107 CO 0.04 0.00 1.40 0.47 -0.54 0.00 0.00 174.62 175.99 9pap n ASP 108 N -1.72 3.46 0.00 3.99 8.00 0.13 -4.42 116.55 125.99 9pap n ASP 108 Ca -0.01 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.49 9pap n ASP 108 Cb 0.64 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 9pap n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 9pap n GLY 109 N 1.11 -0.27 3.10 0.44 0.00 -1.19 -4.93 105.19 103.45 9pap n GLY 109 Ca 0.18 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 9pap n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 9pap s VAL 110 N -2.81 0.04 0.10 1.61 0.11 -1.26 -2.34 120.40 115.85 9pap s VAL 110 Ca 0.00 -0.29 0.04 0.00 -2.93 0.00 0.00 61.98 58.80 9pap s VAL 110 Cb 0.00 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 9pap s VAL 110 CO 0.00 -0.16 -0.11 -0.13 -3.33 0.00 0.00 175.10 171.37 9pap s ARG 111 N -0.56 0.88 -0.08 1.54 1.81 -0.13 -4.92 118.95 117.49 9pap s ARG 111 Ca -0.06 -1.18 -0.01 0.00 -1.72 0.00 0.00 55.73 52.76 9pap s ARG 111 Cb -0.04 -0.59 -0.03 0.00 -0.45 0.00 0.00 34.95 33.84 9pap s ARG 111 CO 0.01 0.09 -0.04 -1.14 -0.68 0.00 0.00 175.30 173.55 9pap s GLN 112 N -2.82 2.90 0.33 3.54 0.74 -1.26 -1.31 119.66 121.78 9pap s GLN 112 Ca 0.06 -0.49 -0.20 0.00 0.05 0.00 0.00 55.36 54.79 9pap s GLN 112 Cb -0.03 -2.69 -0.10 0.00 1.10 0.00 0.00 33.01 31.29 9pap s GLN 112 CO 0.00 0.65 0.84 0.14 -0.55 0.00 0.00 175.29 176.38 9pap s VAL 113 N -0.77 4.48 -0.02 1.34 -7.23 0.92 -4.96 120.40 114.16 9pap s VAL 113 Ca 0.12 1.36 -0.37 0.00 -1.81 0.00 0.00 61.98 61.28 9pap s VAL 113 Cb -0.11 -3.75 -0.15 0.00 0.56 0.00 0.00 36.38 32.93 9pap s VAL 113 CO 0.02 -0.07 1.57 1.67 -0.31 0.00 0.00 175.10 177.98 9pap n GLN 114 N -0.01 1.50 -1.73 4.82 7.27 -1.26 -4.59 117.38 123.38 9pap n GLN 114 Ca 0.03 0.54 -0.30 0.00 0.07 0.00 0.00 57.00 57.34 9pap n GLN 114 Cb 0.52 -2.25 0.06 0.00 2.41 0.00 0.00 30.24 30.98 9pap n GLN 114 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 9pap s PRO 115 N 1.86 2.74 -1.46 3.69 0.04 -1.26 -3.90 135.00 136.71 9pap s PRO 115 Ca 0.88 0.63 -0.08 0.00 0.04 0.00 0.00 61.00 62.47 9pap s PRO 115 Cb -0.89 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 31.69 9pap s PRO 115 CO 0.50 -1.16 0.81 0.66 0.04 0.00 0.00 177.00 177.86 9pap n TYR 116 N -3.12 -2.25 -3.54 0.56 4.01 0.35 -4.98 117.16 108.18 9pap n TYR 116 Ca 0.07 0.72 -0.23 0.00 -0.16 0.00 0.00 57.90 58.29 9pap n TYR 116 Cb 0.56 -4.32 -0.15 0.00 -0.31 0.00 0.00 39.34 35.12 9pap n TYR 116 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 9pap s ASN 117 N -2.98 2.14 0.12 7.72 3.84 -1.25 -4.88 114.94 119.65 9pap s ASN 117 Ca 0.46 -0.59 -0.16 0.00 0.21 0.00 0.00 52.86 52.78 9pap s ASN 117 Cb -0.22 0.01 -0.02 0.00 -0.55 0.00 0.00 41.25 40.48 9pap s ASN 117 CO 0.57 -0.36 1.65 -0.61 -2.79 0.00 0.00 177.10 175.56 9pap h GLN 118 N 8.37 0.58 -0.14 0.43 4.15 -1.91 -2.64 115.11 123.95 9pap h GLN 118 Ca -0.16 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.18 9pap h GLN 118 Cb 1.12 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.68 9pap h GLN 118 CO 0.31 0.58 -0.15 0.78 -1.93 0.00 0.00 178.83 178.43 9pap h GLY 119 N 0.45 -0.07 1.23 2.39 0.00 -1.97 -1.22 103.07 103.88 9pap h GLY 119 Ca 0.12 0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 9pap h GLY 119 CO -0.00 -0.15 0.32 0.00 0.00 0.00 0.00 176.54 176.70 9pap h ALA 120 N 0.89 1.25 -0.13 3.60 0.00 -1.88 -1.03 119.26 121.96 9pap h ALA 120 Ca 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 9pap h ALA 120 Cb 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 9pap h ALA 120 CO -0.24 0.57 0.08 1.25 0.00 0.00 0.00 179.25 180.90 9pap h LEU 121 N 0.99 0.16 -1.10 0.00 5.85 -1.07 -2.41 115.31 117.73 9pap h LEU 121 Ca 0.24 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 9pap h LEU 121 Cb 0.12 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 9pap h LEU 121 CO -0.03 0.16 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.01 9pap h LEU 122 N 0.14 0.44 -0.55 2.25 3.38 -0.96 -1.76 115.31 118.25 9pap h LEU 122 Ca 0.05 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 9pap h LEU 122 Cb 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 9pap h LEU 122 CO -0.01 0.62 -0.51 0.22 0.09 0.00 0.00 178.44 178.85 9pap h TYR 123 N 0.42 0.71 0.76 1.13 3.20 -1.15 -1.47 116.97 120.57 9pap h TYR 123 Ca 0.08 -0.24 -0.04 0.00 3.14 0.00 0.00 58.73 61.67 9pap h TYR 123 Cb 0.52 -0.14 0.01 0.00 1.54 0.00 0.00 36.73 38.66 9pap h TYR 123 CO 0.02 0.96 -0.37 0.77 -1.64 0.00 0.00 178.16 177.90 9pap h SER 124 N 0.45 -0.87 -0.99 -2.11 0.02 -1.07 -3.00 113.55 105.97 9pap h SER 124 Ca 0.02 0.02 0.22 0.00 -0.84 0.00 0.00 61.79 61.21 9pap h SER 124 Cb 1.05 0.22 -0.09 0.00 0.14 0.00 0.00 62.40 63.72 9pap h SER 124 CO 0.10 -0.61 0.62 0.40 -1.14 0.00 0.00 176.83 176.20 9pap h ILE 125 N -1.05 0.65 0.00 3.27 2.04 -1.10 -0.60 117.51 120.71 9pap h ILE 125 Ca -0.10 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 9pap h ILE 125 Cb 0.79 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 9pap h ILE 125 CO 0.17 0.10 -0.00 0.00 0.00 0.00 0.00 178.15 178.42 9pap h ALA 126 N 1.63 1.14 0.00 1.87 0.00 -1.14 -2.79 119.26 119.98 9pap h ALA 126 Ca 0.56 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 55.12 9pap h ALA 126 Cb 1.14 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 9pap h ALA 126 CO -0.31 0.00 -2.29 0.09 0.00 0.00 0.00 179.25 176.74 9pap n ASN 127 N -3.29 1.04 -3.60 0.00 5.03 -0.41 -5.06 115.26 108.97 9pap n ASN 127 Ca -0.03 -0.04 0.01 0.00 0.87 0.00 0.00 54.58 55.39 9pap n ASN 127 Cb 0.09 0.49 -0.01 0.00 -1.02 0.00 0.00 39.78 39.33 9pap n ASN 127 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 9pap s GLN 128 N -2.46 0.23 0.48 3.52 -2.07 -0.37 -5.07 119.66 113.93 9pap s GLN 128 Ca -0.17 -0.12 -0.23 0.00 -1.82 0.00 0.00 55.36 53.02 9pap s GLN 128 Cb 0.06 0.08 -0.07 0.00 -1.09 0.00 0.00 33.01 32.00 9pap s GLN 128 CO 0.68 -0.10 1.28 -2.14 -1.32 0.00 0.00 175.29 173.70 9pap s PRO 129 N -2.25 3.54 0.06 9.60 0.02 -1.26 -3.76 135.00 140.95 9pap s PRO 129 Ca 0.14 2.07 0.06 0.00 0.02 0.00 0.00 61.00 63.28 9pap s PRO 129 Cb 0.04 -2.43 -0.03 0.00 0.02 0.00 0.00 34.50 32.11 9pap s PRO 129 CO -0.05 -0.81 -0.16 0.08 -0.33 0.00 0.00 177.00 175.73 9pap s VAL 130 N -1.37 1.26 -0.12 3.83 1.01 -0.88 -4.70 120.40 119.42 9pap s VAL 130 Ca 0.65 -1.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.22 9pap s VAL 130 Cb -0.36 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 9pap s VAL 130 CO 0.44 -0.08 0.51 -0.55 0.00 0.00 0.00 175.10 175.41 9pap s SER 131 N -1.51 6.71 0.09 3.32 0.15 -0.16 -0.30 113.70 122.00 9pap s SER 131 Ca 0.01 0.84 0.01 0.00 0.70 0.00 0.00 55.95 57.52 9pap s SER 131 Cb -0.09 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 9pap s SER 131 CO 0.02 -0.03 -0.05 0.68 1.20 0.00 0.00 173.24 175.06 9pap s VAL 132 N 0.72 0.59 0.25 4.45 -7.23 -0.87 -1.55 120.40 116.77 9pap s VAL 132 Ca 0.27 -1.91 0.12 0.00 -1.81 0.00 0.00 61.98 58.65 9pap s VAL 132 Cb -0.15 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 9pap s VAL 132 CO 0.11 -0.88 -0.20 0.68 -0.31 0.00 0.00 175.10 174.50 9pap s VAL 133 N -3.69 2.49 0.15 1.32 -7.23 -1.24 -1.07 120.40 111.13 9pap s VAL 133 Ca 0.11 -2.26 -0.24 0.00 -1.81 0.00 0.00 61.98 57.78 9pap s VAL 133 Cb 0.06 -2.27 0.06 0.00 0.56 0.00 0.00 36.38 34.79 9pap s VAL 133 CO -0.05 -0.31 0.79 -1.48 -0.31 0.00 0.00 175.10 173.74 9pap s LEU 134 N -3.24 -0.34 -0.33 1.32 0.05 -0.88 -3.86 118.68 111.39 9pap s LEU 134 Ca 0.27 -0.25 -0.28 0.00 0.05 0.00 0.00 54.13 53.92 9pap s LEU 134 Cb -0.06 2.38 0.02 0.00 -2.05 0.00 0.00 46.19 46.47 9pap s LEU 134 CO 0.14 -0.96 1.03 -1.58 -0.55 0.00 0.00 176.35 174.43 9pap s GLN 135 N -3.52 4.02 0.00 1.48 0.74 0.11 -1.23 119.66 121.26 9pap s GLN 135 Ca 0.07 0.95 0.12 0.00 0.05 0.00 0.00 55.36 56.55 9pap s GLN 135 Cb -0.02 -3.75 -0.05 0.00 1.10 0.00 0.00 33.01 30.29 9pap s GLN 135 CO -0.03 -0.90 0.64 0.00 -0.55 0.00 0.00 175.29 174.45 9pap n ALA 136 N 6.82 3.16 0.27 1.58 0.00 -1.26 -4.61 120.51 126.46 9pap n ALA 136 Ca 0.11 -0.42 0.16 0.00 0.00 0.00 0.00 53.44 53.29 9pap n ALA 136 Cb 0.47 -0.43 0.60 0.00 0.00 0.00 0.00 19.45 20.09 9pap n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 9pap h ALA 137 N 1.96 1.00 -2.79 0.00 0.00 -1.90 -3.37 119.26 114.15 9pap h ALA 137 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 9pap h ALA 137 Cb 0.37 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.23 9pap h ALA 137 CO 0.00 0.00 0.54 0.20 0.00 0.00 0.00 179.25 179.99 9pap s GLY 138 N -4.16 2.84 0.40 0.00 0.00 -1.26 -4.91 107.32 100.23 9pap s GLY 138 Ca 0.02 1.07 0.08 0.00 0.00 0.00 0.00 44.72 45.89 9pap s GLY 138 CO 0.56 1.57 2.00 0.50 0.00 0.00 0.00 173.10 177.73 9pap h LYS 139 N 2.20 0.42 -0.31 2.90 6.56 -1.91 -2.26 116.57 124.18 9pap h LYS 139 Ca -0.50 -0.05 -0.08 0.00 -1.06 0.00 0.00 60.65 58.97 9pap h LYS 139 Cb 1.25 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.82 9pap h LYS 139 CO 0.61 0.37 -0.11 -0.44 -2.06 0.00 0.00 179.45 177.82 9pap h ASP 140 N 0.42 0.63 -0.39 0.86 3.32 -1.91 -1.20 116.42 118.15 9pap h ASP 140 Ca 0.11 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.75 9pap h ASP 140 Cb 0.11 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 9pap h ASP 140 CO -0.01 0.87 0.14 0.15 -1.72 0.00 0.00 179.24 178.67 9pap h PHE 141 N 0.38 0.60 -0.64 4.55 3.57 -1.76 -2.65 116.94 120.98 9pap h PHE 141 Ca 0.07 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.54 9pap h PHE 141 Cb 0.61 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 9pap h PHE 141 CO 0.05 0.55 0.43 1.96 -2.23 0.00 0.00 178.31 179.07 9pap h GLN 142 N 0.48 0.81 -0.53 1.11 4.20 -1.27 -2.88 115.11 117.04 9pap h GLN 142 Ca 0.13 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.79 9pap h GLN 142 Cb 0.21 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.81 9pap h GLN 142 CO -0.01 0.54 0.00 1.28 -0.67 0.00 0.00 178.83 179.97 9pap n LEU 143 N -4.45 3.02 -4.74 1.46 4.77 -0.47 -4.95 117.00 111.64 9pap n LEU 143 Ca 0.07 -1.47 -0.41 0.00 -0.03 0.00 0.00 56.01 54.16 9pap n LEU 143 Cb 0.07 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 9pap n LEU 143 CO 0.36 0.74 1.05 -0.47 -1.33 0.00 0.00 177.39 177.73 9pap s TYR 144 N -1.30 3.15 0.00 -1.77 6.14 -1.01 -4.92 117.35 117.64 9pap s TYR 144 Ca 0.38 1.09 0.00 0.00 0.64 0.00 0.00 57.07 59.18 9pap s TYR 144 Cb 0.20 -3.71 0.00 0.00 0.42 0.00 0.00 41.96 38.87 9pap s TYR 144 CO 0.27 -2.32 0.30 0.54 0.64 0.00 0.00 175.55 174.98 9pap n ARG 145 N 2.67 -0.49 0.00 4.97 1.74 -1.26 -2.03 116.66 122.26 9pap n ARG 145 Ca 0.07 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 9pap n ARG 145 Cb 0.41 -0.80 0.00 0.00 -1.02 0.00 0.00 32.46 31.06 9pap n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 9pap n GLY 146 N 0.02 3.09 0.00 -0.13 0.00 -1.26 -4.46 105.19 102.44 9pap n GLY 146 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 9pap n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9pap n GLY 147 N -1.46 0.23 3.66 -0.02 0.00 -1.26 -4.88 105.19 101.46 9pap n GLY 147 Ca 0.00 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 9pap n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 9pap s ILE 148 N -1.71 4.77 -0.13 -0.61 1.01 -1.26 -4.20 121.20 119.07 9pap s ILE 148 Ca 0.00 1.82 -0.24 0.00 0.00 0.00 0.00 60.65 62.23 9pap s ILE 148 Cb 0.00 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 9pap s ILE 148 CO 0.00 -0.10 0.75 0.12 0.00 0.00 0.00 174.94 175.70 9pap s PHE 149 N 2.86 3.49 -0.27 3.97 5.36 0.12 -4.83 117.98 128.67 9pap s PHE 149 Ca 0.40 1.21 0.02 0.00 -0.96 0.00 0.00 56.93 57.61 9pap s PHE 149 Cb -0.16 -2.89 0.04 0.00 -0.34 0.00 0.00 43.02 39.67 9pap s PHE 149 CO 0.08 -0.08 0.75 1.55 -1.46 0.00 0.00 175.22 176.05 9pap n VAL 150 N 4.30 0.36 -0.44 3.12 3.14 -1.26 -0.18 118.33 127.36 9pap n VAL 150 Ca 0.01 -0.68 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 9pap n VAL 150 Cb 0.50 0.85 0.00 0.00 -1.06 0.00 0.00 33.84 34.13 9pap n VAL 150 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 9pap n GLY 151 N -0.01 -1.82 3.77 7.55 0.00 -1.26 -4.81 105.19 108.60 9pap n GLY 151 Ca 0.02 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.73 9pap n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 9pap s PRO 152 N 0.00 3.23 -0.23 1.61 0.05 -1.26 -4.99 135.00 133.41 9pap s PRO 152 Ca 0.00 1.70 -0.30 0.00 0.05 0.00 0.00 61.00 62.45 9pap s PRO 152 Cb 0.00 -1.99 0.16 0.00 0.05 0.00 0.00 34.50 32.72 9pap s PRO 152 CO 0.00 -0.97 1.20 0.00 0.05 0.00 0.00 177.00 177.29 9pap n GLY 154 N 0.58 1.62 0.91 0.00 0.00 -1.26 -4.59 105.19 102.45 9pap n GLY 154 Ca -0.04 -1.74 0.05 0.00 0.00 0.00 0.00 46.02 44.29 9pap n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 9pap n ASN 155 N 0.00 1.25 -4.10 1.61 5.03 -1.26 -3.59 115.26 114.20 9pap n ASN 155 Ca 0.00 -2.76 -0.43 0.00 0.87 0.00 0.00 54.58 52.26 9pap n ASN 155 Cb 0.00 -0.38 0.00 0.00 -1.02 0.00 0.00 39.78 38.39 9pap n ASN 155 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 9pap n LYS 156 N -0.32 3.73 -1.69 3.52 5.02 -1.26 -4.80 118.16 122.36 9pap n LYS 156 Ca 0.11 -3.94 -0.44 0.00 -2.02 0.00 0.00 58.31 52.01 9pap n LYS 156 Cb 0.88 -2.82 -0.03 0.00 -0.02 0.00 0.00 35.03 33.04 9pap n LYS 156 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 9pap n VAL 157 N 3.14 0.61 -1.27 -0.18 0.24 -1.26 -4.40 118.33 115.22 9pap n VAL 157 Ca 0.34 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 9pap n VAL 157 Cb 0.38 -1.66 0.00 0.00 -1.47 0.00 0.00 33.84 31.09 9pap n VAL 157 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 9pap n ASP 158 N 2.69 0.00 -3.84 -1.34 5.68 -0.37 -4.88 116.55 114.50 9pap n ASP 158 Ca 0.13 -1.00 -0.13 0.00 -0.50 0.00 0.00 54.79 53.29 9pap n ASP 158 Cb 0.32 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.16 9pap n ASP 158 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 9pap s HIS 159 N 0.00 -0.01 -0.13 2.11 5.04 -0.70 -4.86 115.29 116.73 9pap s HIS 159 Ca 0.00 0.08 -0.03 0.00 -1.54 0.00 0.00 55.06 53.57 9pap s HIS 159 Cb 0.00 -0.06 -0.03 0.00 0.04 0.00 0.00 32.58 32.53 9pap s HIS 159 CO 0.00 -0.04 -0.01 0.00 -2.34 0.00 0.00 174.74 172.35 9pap s ALA 160 N 0.32 3.16 0.31 1.58 0.00 -1.26 -2.07 121.76 123.79 9pap s ALA 160 Ca -0.03 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.19 9pap s ALA 160 Cb -0.04 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 9pap s ALA 160 CO -0.01 0.36 0.28 1.33 0.00 0.00 0.00 175.76 177.72 9pap n VAL 161 N 2.99 0.00 -4.75 0.00 0.24 -0.23 -4.48 118.33 112.10 9pap n VAL 161 Ca -0.18 -2.18 -0.26 0.00 -2.04 0.00 0.00 64.34 59.69 9pap n VAL 161 Cb 0.53 1.11 -0.16 0.00 -1.47 0.00 0.00 33.84 33.85 9pap n VAL 161 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 9pap s ALA 162 N -3.18 1.44 -0.26 2.33 0.00 -1.06 -2.06 121.76 118.97 9pap s ALA 162 Ca 0.36 -0.59 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 9pap s ALA 162 Cb 0.01 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 9pap s ALA 162 CO 0.25 0.21 0.48 0.00 0.00 0.00 0.00 175.76 176.70 9pap s ALA 163 N 0.28 3.58 -0.17 0.00 0.00 0.59 -0.13 121.76 125.92 9pap s ALA 163 Ca -0.09 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.25 9pap s ALA 163 Cb -0.13 -2.84 0.07 0.00 0.00 0.00 0.00 23.12 20.22 9pap s ALA 163 CO 0.03 -0.71 1.06 1.33 0.00 0.00 0.00 175.76 177.47 9pap n VAL 164 N 5.12 1.06 -0.61 0.00 0.24 0.52 -2.08 118.33 122.58 9pap n VAL 164 Ca -0.05 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.17 9pap n VAL 164 Cb 0.50 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 9pap n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 9pap n GLY 165 N -0.38 -1.70 3.69 7.63 0.00 -1.16 -1.27 105.19 111.99 9pap n GLY 165 Ca 0.03 -1.10 -0.07 0.00 0.00 0.00 0.00 46.02 44.88 9pap n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 9pap s TYR 166 N -2.18 -0.27 0.09 1.61 -0.85 -0.00 -0.05 117.35 115.69 9pap s TYR 166 Ca 0.00 -0.05 -0.01 0.00 -0.52 0.00 0.00 57.07 56.49 9pap s TYR 166 Cb 0.00 0.63 0.00 0.00 0.38 0.00 0.00 41.96 42.98 9pap s TYR 166 CO 0.00 -0.93 0.12 0.41 -1.52 0.00 0.00 175.55 173.63 9pap n GLY 167 N -0.41 2.81 0.36 5.49 0.00 -0.88 -0.39 105.19 112.16 9pap n GLY 167 Ca -0.08 -1.41 0.08 0.00 0.00 0.00 0.00 46.02 44.61 9pap n GLY 167 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 9pap h PRO 168 N 0.00 0.92 0.00 1.61 0.11 -1.99 -3.03 132.00 129.62 9pap h PRO 168 Ca -0.07 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.99 9pap h PRO 168 Cb 0.29 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.19 9pap h PRO 168 CO 0.09 0.61 -0.02 0.27 -0.21 0.00 0.00 178.00 178.74 9pap n ASN 169 N -4.65 1.57 -3.95 -2.05 6.94 -1.26 -4.91 115.26 106.95 9pap n ASN 169 Ca 0.19 -1.92 -0.10 0.00 -0.02 0.00 0.00 54.58 52.73 9pap n ASN 169 Cb 0.38 -0.06 -0.07 0.00 -2.36 0.00 0.00 39.78 37.68 9pap n ASN 169 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 9pap s TYR 170 N -0.98 0.37 -0.07 -2.53 1.13 -1.15 -2.47 117.35 111.65 9pap s TYR 170 Ca 0.04 -0.73 0.05 0.00 -1.41 0.00 0.00 57.07 55.02 9pap s TYR 170 Cb 0.03 -0.03 -0.01 0.00 -1.10 0.00 0.00 41.96 40.85 9pap s TYR 170 CO 0.00 -0.73 -0.24 0.42 -2.51 0.00 0.00 175.55 172.49 9pap s ILE 171 N -3.96 2.13 -0.26 -3.49 1.01 0.36 -2.08 121.20 114.91 9pap s ILE 171 Ca 0.17 -1.03 -0.16 0.00 0.00 0.00 0.00 60.65 59.63 9pap s ILE 171 Cb 0.03 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 9pap s ILE 171 CO -0.00 0.57 0.44 -0.22 0.00 0.00 0.00 174.94 175.72 9pap s LEU 172 N -0.04 4.05 -0.11 2.97 2.96 0.93 -1.01 118.68 128.43 9pap s LEU 172 Ca -0.07 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 9pap s LEU 172 Cb -0.15 -2.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.99 9pap s LEU 172 CO 0.05 -0.22 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.12 9pap s ILE 173 N 2.10 3.27 -0.30 6.68 -1.09 0.10 -0.36 121.20 131.61 9pap s ILE 173 Ca 0.18 -0.60 -0.16 0.00 -2.23 0.00 0.00 60.65 57.84 9pap s ILE 173 Cb -0.16 -2.36 -0.02 0.00 -1.58 0.00 0.00 42.46 38.34 9pap s ILE 173 CO 0.09 0.54 0.42 -0.75 -1.23 0.00 0.00 174.94 174.01 9pap s LYS 174 N 0.02 3.86 0.60 2.79 2.20 0.81 -0.91 119.74 129.12 9pap s LYS 174 Ca -0.03 -0.04 0.02 0.00 -0.36 0.00 0.00 55.97 55.56 9pap s LYS 174 Cb -0.14 -3.71 0.07 0.00 -1.51 0.00 0.00 37.83 32.54 9pap s LYS 174 CO 0.04 -0.41 0.83 1.21 -0.36 0.00 0.00 175.35 176.66 9pap s ASN 175 N 1.67 4.98 -0.33 1.43 2.47 -0.92 -2.56 114.94 121.67 9pap s ASN 175 Ca 0.16 -0.26 0.10 0.00 0.42 0.00 0.00 52.86 53.27 9pap s ASN 175 Cb -0.16 -0.43 0.45 0.00 -1.45 0.00 0.00 41.25 39.67 9pap s ASN 175 CO 0.11 -1.38 1.13 -1.54 -3.72 0.00 0.00 177.10 171.71 9pap n SER 176 N -2.45 4.10 -1.21 -4.21 3.41 -1.26 -4.51 113.62 107.49 9pap n SER 176 Ca 0.11 -3.41 -0.06 0.00 -0.26 0.00 0.00 58.87 55.25 9pap n SER 176 Cb 0.60 -0.41 0.17 0.00 -0.26 0.00 0.00 64.21 64.31 9pap n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 9pap n TRP 177 N -0.57 1.15 -1.98 7.33 8.01 -1.21 -0.78 117.44 129.40 9pap n TRP 177 Ca 0.34 -1.74 0.08 0.00 -1.31 0.00 0.00 57.50 54.88 9pap n TRP 177 Cb 0.84 -0.46 -0.02 0.00 -2.01 0.00 0.00 31.31 29.66 9pap n TRP 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 9pap n GLY 178 N -1.06 -1.86 0.18 6.99 0.00 -0.72 -4.48 105.19 104.24 9pap n GLY 178 Ca 0.33 -1.27 0.05 0.00 0.00 0.00 0.00 46.02 45.13 9pap n GLY 178 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 9pap h THR 179 N -0.56 0.94 0.00 2.61 1.35 -1.87 -3.31 112.91 112.07 9pap h THR 179 Ca 0.01 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 9pap h THR 179 Cb 0.55 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 9pap h THR 179 CO 0.00 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 9pap n GLY 180 N 0.25 -0.71 3.15 5.82 0.00 -1.26 -3.56 105.19 108.87 9pap n GLY 180 Ca -0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 9pap n GLY 180 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 9pap s TRP 181 N -2.00 1.51 0.00 1.61 -0.00 -1.24 -5.01 118.94 113.80 9pap s TRP 181 Ca 0.22 -0.29 0.00 0.00 -0.00 0.00 0.00 56.10 56.03 9pap s TRP 181 Cb 0.10 -0.97 0.00 0.00 -0.00 0.00 0.00 33.47 32.60 9pap s TRP 181 CO 0.17 -0.03 0.00 0.41 -0.00 0.00 0.00 176.95 177.50 9pap n GLY 182 N 2.68 0.93 3.35 5.86 0.00 -0.86 -0.00 105.19 117.15 9pap n GLY 182 Ca -0.15 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 44.70 9pap n GLY 182 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 9pap n GLU 183 N 3.45 3.53 -3.11 1.61 1.02 0.06 -4.44 120.64 122.76 9pap n GLU 183 Ca 0.00 -4.17 -0.21 0.00 -0.02 0.00 0.00 57.16 52.76 9pap n GLU 183 Cb 0.00 -2.77 0.04 0.00 -0.02 0.00 0.00 31.44 28.69 9pap n GLU 183 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 9pap n ASN 184 N 3.90 -5.88 0.00 1.62 4.13 -1.25 -2.40 115.26 115.38 9pap n ASN 184 Ca 0.30 -0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.23 9pap n ASN 184 Cb 0.40 -4.65 0.00 0.00 -1.54 0.00 0.00 39.78 33.99 9pap n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 9pap n GLY 185 N -1.59 0.44 3.75 7.41 0.00 1.00 -4.64 105.19 111.56 9pap n GLY 185 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 9pap n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 9pap s TYR 186 N -2.13 2.94 0.01 1.61 2.02 -1.01 -2.16 117.35 118.63 9pap s TYR 186 Ca 0.00 -0.16 0.02 0.00 -0.37 0.00 0.00 57.07 56.56 9pap s TYR 186 Cb 0.00 -1.32 -0.01 0.00 -0.40 0.00 0.00 41.96 40.23 9pap s TYR 186 CO 0.00 0.56 -0.07 -1.50 -1.57 0.00 0.00 175.55 172.97 9pap s ILE 187 N -2.21 0.50 -0.32 2.71 2.07 -0.08 -0.76 121.20 123.10 9pap s ILE 187 Ca 0.32 -0.49 -0.11 0.00 -1.41 0.00 0.00 60.65 58.96 9pap s ILE 187 Cb -0.07 -0.47 -0.01 0.00 0.13 0.00 0.00 42.46 42.04 9pap s ILE 187 CO 0.23 -0.01 0.19 -0.13 -1.91 0.00 0.00 174.94 173.31 9pap s ARG 188 N -0.55 3.42 -0.15 3.50 0.52 -1.26 -0.72 118.95 123.71 9pap s ARG 188 Ca -0.01 -0.68 -0.06 0.00 -0.52 0.00 0.00 55.73 54.46 9pap s ARG 188 Cb -0.04 -3.66 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 9pap s ARG 188 CO 0.00 -0.42 0.07 0.42 0.02 0.00 0.00 175.30 175.39 9pap s ILE 189 N 1.66 4.88 0.34 1.52 1.01 -0.18 0.12 121.20 130.56 9pap s ILE 189 Ca 0.05 -0.02 -0.27 0.00 0.00 0.00 0.00 60.65 60.41 9pap s ILE 189 Cb -0.17 -3.15 -0.12 0.00 0.01 0.00 0.00 42.46 39.02 9pap s ILE 189 CO 0.08 0.53 1.19 1.17 0.00 0.00 0.00 174.94 177.91 9pap n LYS 190 N 2.88 1.83 -4.60 2.79 3.00 0.74 -0.49 118.16 124.31 9pap n LYS 190 Ca -0.18 0.64 -0.28 0.00 -0.00 0.00 0.00 58.31 58.49 9pap n LYS 190 Cb 0.53 -2.18 -0.08 0.00 0.00 0.00 0.00 35.03 33.30 9pap n LYS 190 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 9pap s ARG 191 N -1.84 2.04 -0.85 1.64 1.70 -1.03 -4.50 118.95 116.11 9pap s ARG 191 Ca 0.57 -2.27 -0.04 0.00 -0.47 0.00 0.00 55.73 53.52 9pap s ARG 191 Cb -0.60 -0.90 0.00 0.00 -0.57 0.00 0.00 34.95 32.89 9pap s ARG 191 CO 0.61 -0.46 0.58 0.41 -1.08 0.00 0.00 175.30 175.36 9pap n GLY 192 N -1.04 0.03 0.70 3.88 0.00 -1.26 -4.77 105.19 102.72 9pap n GLY 192 Ca -0.11 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.83 9pap n GLY 192 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 9pap n THR 193 N -3.99 0.00 -0.24 2.61 -2.24 -1.26 -4.99 114.28 104.18 9pap n THR 193 Ca -0.02 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 9pap n THR 193 Cb 0.55 1.36 0.00 0.00 -2.10 0.00 0.00 70.33 70.14 9pap n THR 193 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 9pap n GLY 194 N 1.00 2.00 3.66 3.38 0.00 -1.26 -5.01 105.19 108.96 9pap n GLY 194 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 9pap n GLY 194 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 9pap s ASN 195 N -3.45 6.84 0.25 1.61 3.84 -1.26 -4.95 114.94 117.82 9pap s ASN 195 Ca 0.00 1.94 0.02 0.00 0.21 0.00 0.00 52.86 55.03 9pap s ASN 195 Cb 0.00 -2.54 0.32 0.00 -0.55 0.00 0.00 41.25 38.48 9pap s ASN 195 CO 0.00 -0.81 1.64 0.28 -2.79 0.00 0.00 177.10 175.43 9pap h SER 196 N 8.60 0.47 0.33 -4.21 0.02 -1.95 -2.91 113.55 113.90 9pap h SER 196 Ca -0.33 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.33 9pap h SER 196 Cb 1.14 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 9pap h SER 196 CO 0.95 0.81 -0.40 1.88 -1.14 0.00 0.00 176.83 178.94 9pap h TYR 197 N 0.38 0.12 0.00 3.45 0.05 -1.92 -3.38 116.97 115.67 9pap h TYR 197 Ca 0.04 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.79 9pap h TYR 197 Cb 0.84 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.56 9pap h TYR 197 CO 0.03 0.49 0.00 0.41 -1.05 0.00 0.00 178.16 178.04 9pap n GLY 198 N -0.31 -0.79 3.72 3.88 0.00 -1.10 0.37 105.19 110.96 9pap n GLY 198 Ca -0.02 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 9pap n GLY 198 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 9pap s VAL 199 N -3.04 2.84 -1.45 1.61 -7.23 -1.26 -2.00 120.40 109.86 9pap s VAL 199 Ca 0.00 0.61 -0.05 0.00 -1.81 0.00 0.00 61.98 60.73 9pap s VAL 199 Cb 0.00 -3.39 0.02 0.00 0.56 0.00 0.00 36.38 33.57 9pap s VAL 199 CO 0.00 0.05 0.48 0.00 -0.31 0.00 0.00 175.10 175.32 9pap n GLY 201 N -1.32 -0.49 0.33 0.00 0.00 -0.85 0.08 105.19 102.93 9pap n GLY 201 Ca -0.10 0.08 0.21 0.00 0.00 0.00 0.00 46.02 46.22 9pap n GLY 201 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 9pap h LEU 202 N -1.08 0.00 -3.81 0.99 5.85 -0.98 -2.84 115.31 113.45 9pap h LEU 202 Ca -0.52 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 57.89 9pap h LEU 202 Cb 1.36 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 42.20 9pap h LEU 202 CO 0.56 0.00 0.39 -1.22 -0.34 0.00 0.00 178.44 177.84 9pap n TYR 203 N -3.21 2.59 -0.02 1.25 0.53 0.16 -4.50 117.16 113.96 9pap n TYR 203 Ca -0.03 -1.45 -0.10 0.00 -1.02 0.00 0.00 57.90 55.31 9pap n TYR 203 Cb 0.09 -0.77 -0.08 0.00 -1.03 0.00 0.00 39.34 37.56 9pap n TYR 203 CO 0.00 0.00 0.00 1.15 -1.02 0.00 0.00 176.86 176.99 9pap h THR 204 N 1.99 1.06 -1.65 -0.72 2.02 -1.65 0.10 112.91 114.05 9pap h THR 204 Ca 0.39 -1.58 -0.11 0.00 0.77 0.00 0.00 66.41 65.89 9pap h THR 204 Cb 2.49 1.91 -0.27 0.00 -1.74 0.00 0.00 68.15 70.53 9pap h THR 204 CO 0.85 0.33 -0.45 -0.55 0.37 0.00 0.00 175.52 176.07 9pap s SER 205 N -5.79 -0.11 -0.04 4.18 0.15 -1.26 -4.74 113.70 106.09 9pap s SER 205 Ca -0.12 0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.77 9pap s SER 205 Cb -0.01 1.35 0.01 0.00 -1.71 0.00 0.00 66.02 65.66 9pap s SER 205 CO 0.46 -0.30 -0.07 -0.44 1.20 0.00 0.00 173.24 174.09 9pap s SER 206 N 2.62 1.14 0.21 5.45 0.01 -1.26 -3.67 113.70 118.20 9pap s SER 206 Ca 0.14 -0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.24 9pap s SER 206 Cb -0.15 -0.45 -0.05 0.00 0.21 0.00 0.00 66.02 65.59 9pap s SER 206 CO -0.20 0.01 0.02 -0.36 0.41 0.00 0.00 173.24 173.12 9pap s PHE 207 N 0.56 1.40 -0.11 2.43 0.40 -0.59 -0.06 117.98 122.01 9pap s PHE 207 Ca -0.09 -1.02 -0.30 0.00 -0.60 0.00 0.00 56.93 54.92 9pap s PHE 207 Cb -0.12 -0.81 0.09 0.00 0.51 0.00 0.00 43.02 42.69 9pap s PHE 207 CO 0.01 -0.18 0.79 1.52 0.70 0.00 0.00 175.22 178.06 9pap s TYR 208 N -3.60 -0.58 0.64 0.36 1.13 -0.43 -0.99 117.35 113.88 9pap s TYR 208 Ca 0.28 1.06 -0.15 0.00 -1.41 0.00 0.00 57.07 56.85 9pap s TYR 208 Cb 0.06 0.41 -0.01 0.00 -1.10 0.00 0.00 41.96 41.32 9pap s TYR 208 CO 0.08 -0.49 1.08 -1.25 -2.51 0.00 0.00 175.55 172.46 9pap s PRO 209 N -0.96 3.01 -0.10 -3.49 0.04 -1.26 -0.96 135.00 131.28 9pap s PRO 209 Ca -0.07 1.28 0.02 0.00 0.04 0.00 0.00 61.00 62.27 9pap s PRO 209 Cb -0.01 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 9pap s PRO 209 CO 0.06 -1.07 -0.15 0.08 0.04 0.00 0.00 177.00 175.96 9pap s VAL 210 N -2.45 2.87 -0.05 -0.36 1.01 -0.99 -4.88 120.40 115.56 9pap s VAL 210 Ca 0.65 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 9pap s VAL 210 Cb -0.18 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.07 9pap s VAL 210 CO 0.41 0.55 0.09 -0.75 0.00 0.00 0.00 175.10 175.39 9pap s LYS 211 N 0.09 -0.04 0.00 2.72 2.47 -1.26 0.20 119.74 123.91 9pap s LYS 211 Ca -0.07 0.42 0.27 0.00 -1.56 0.00 0.00 55.97 55.04 9pap s LYS 211 Cb -0.15 -0.42 1.62 0.00 -1.46 0.00 0.00 37.83 37.42 9pap s LYS 211 CO 0.05 -0.31 1.97 0.09 0.16 0.00 0.00 175.35 177.30