#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pma s VAL 14 N 0.00 0.00 0.07 12.58 -7.23 -1.26 -4.87 120.40 119.69 1pma s VAL 14 Ca 0.00 -1.66 -0.29 0.00 -1.81 0.00 0.00 61.98 58.22 1pma s VAL 14 Cb 0.00 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 1pma s VAL 14 CO 0.00 0.00 0.91 -0.36 -0.31 0.00 0.00 175.10 175.34 1pma s PHE 15 N -3.70 3.76 0.79 2.82 0.08 -1.26 -4.32 117.98 116.16 1pma s PHE 15 Ca 0.31 1.69 -0.12 0.00 0.12 0.00 0.00 56.93 58.93 1pma s PHE 15 Cb 0.02 -3.00 0.07 0.00 -0.57 0.00 0.00 43.02 39.53 1pma s PHE 15 CO 0.15 0.18 1.10 -1.54 -0.10 0.00 0.00 175.22 175.01 1pma s SER 16 N 0.19 4.55 0.02 1.36 1.04 -0.20 -4.88 113.70 115.77 1pma s SER 16 Ca 0.46 1.25 0.03 0.00 0.48 0.00 0.00 55.95 58.16 1pma s SER 16 Cb -0.22 -1.97 0.15 0.00 0.10 0.00 0.00 66.02 64.07 1pma s SER 16 CO 0.28 -1.93 1.10 -2.65 0.98 0.00 0.00 173.24 171.02 1pma n PRO 17 N -3.40 0.01 -0.32 4.02 -0.02 -1.26 -0.88 135.00 133.16 1pma n PRO 17 Ca 0.07 0.47 0.10 0.00 -2.02 0.00 0.00 63.50 62.12 1pma n PRO 17 Cb 0.57 -1.52 0.27 0.00 -0.02 0.00 0.00 33.50 32.80 1pma n PRO 17 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1pma n ASP 18 N -1.54 3.67 -1.35 2.55 5.75 -1.26 -4.98 116.55 119.39 1pma n ASP 18 Ca 0.00 -2.00 -0.07 0.00 -0.01 0.00 0.00 54.79 52.72 1pma n ASP 18 Cb 0.03 -0.42 0.02 0.00 -1.03 0.00 0.00 41.12 39.72 1pma n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pma n GLY 19 N 1.34 0.51 3.13 6.12 0.00 -0.06 -5.07 105.19 111.16 1pma n GLY 19 Ca 0.21 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 1pma n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pma s ARG 20 N -5.32 0.89 -0.84 1.61 0.52 -1.26 -4.88 118.95 109.67 1pma s ARG 20 Ca 0.16 -0.75 -0.17 0.00 -0.52 0.00 0.00 55.73 54.45 1pma s ARG 20 Cb -0.07 -0.88 0.16 0.00 0.52 0.00 0.00 34.95 34.68 1pma s ARG 20 CO 0.20 0.21 0.93 -0.51 0.02 0.00 0.00 175.30 176.15 1pma s LEU 21 N -1.17 5.74 0.30 2.53 2.01 -1.26 -1.04 118.68 125.79 1pma s LEU 21 Ca 0.01 -2.19 0.06 0.00 0.01 0.00 0.00 54.13 52.02 1pma s LEU 21 Cb -0.08 -2.31 0.75 0.00 0.01 0.00 0.00 46.19 44.56 1pma s LEU 21 CO 0.01 -0.89 1.75 -0.26 1.01 0.00 0.00 176.35 177.97 1pma h PHE 22 N 8.50 0.95 -0.63 0.29 0.04 -1.98 0.12 116.94 124.23 1pma h PHE 22 Ca 0.07 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.88 1pma h PHE 22 Cb 1.04 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.89 1pma h PHE 22 CO 1.07 0.13 0.42 1.96 -0.60 0.00 0.00 178.31 181.29 1pma h GLN 23 N 0.63 0.82 -0.51 1.51 1.08 -1.91 -1.17 115.11 115.57 1pma h GLN 23 Ca 0.58 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.72 1pma h GLN 23 Cb 0.99 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.20 1pma h GLN 23 CO -0.43 0.54 0.29 -0.24 -0.95 0.00 0.00 178.83 178.04 1pma h VAL 24 N 0.85 1.15 0.05 -0.54 3.04 -1.19 -1.36 116.25 118.25 1pma h VAL 24 Ca 0.23 -0.37 -0.00 0.00 -1.01 0.00 0.00 66.70 65.55 1pma h VAL 24 Cb -0.09 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 29.64 1pma h VAL 24 CO -0.05 0.17 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.32 1pma h GLU 25 N 0.71 -0.06 -0.74 4.17 4.39 -0.68 -1.43 114.58 120.93 1pma h GLU 25 Ca 0.18 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.93 1pma h GLU 25 Cb 0.00 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 1pma h GLU 25 CO -0.03 0.20 0.49 1.88 -1.16 0.00 0.00 179.01 180.39 1pma h TYR 26 N -0.32 0.85 -0.08 4.33 0.05 -0.85 -0.19 116.97 120.76 1pma h TYR 26 Ca -0.01 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.81 1pma h TYR 26 Cb 0.29 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 1pma h TYR 26 CO 0.01 0.48 -0.03 0.00 -1.05 0.00 0.00 178.16 177.57 1pma h ALA 27 N 1.58 0.03 -0.92 3.88 0.00 -0.90 -1.52 119.26 121.41 1pma h ALA 27 Ca 0.30 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.41 1pma h ALA 27 Cb 0.12 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 1pma h ALA 27 CO -0.09 -0.50 0.51 0.00 0.00 0.00 0.00 179.25 179.16 1pma h ARG 28 N -0.03 0.65 -0.64 0.00 3.08 0.03 0.14 114.38 117.62 1pma h ARG 28 Ca 0.04 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1pma h ARG 28 Cb 0.09 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 1pma h ARG 28 CO -0.09 0.43 0.33 0.93 -1.07 0.00 0.00 179.97 180.50 1pma h GLU 29 N 0.67 0.59 -0.79 0.04 4.39 -0.45 -0.73 114.58 118.31 1pma h GLU 29 Ca 0.52 -0.04 0.16 0.00 0.34 0.00 0.00 59.36 60.34 1pma h GLU 29 Cb 0.77 -0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 29.19 1pma h GLU 29 CO -0.38 0.39 0.31 0.00 -1.16 0.00 0.00 179.01 178.17 1pma h ALA 30 N 1.36 1.13 -0.03 3.43 0.00 -0.25 -0.92 119.26 123.97 1pma h ALA 30 Ca 0.30 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.26 1pma h ALA 30 Cb 0.24 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1pma h ALA 30 CO -0.21 -0.23 -0.34 -0.39 0.00 0.00 0.00 179.25 178.07 1pma h VAL 31 N 0.43 1.26 0.00 0.00 -1.51 -1.01 -2.63 116.25 112.80 1pma h VAL 31 Ca 0.44 -1.24 -0.04 0.00 -1.23 0.00 0.00 66.70 64.63 1pma h VAL 31 Cb 0.71 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.48 1pma h VAL 31 CO -0.43 0.36 -0.20 0.11 -1.23 0.00 0.00 177.57 176.18 1pma h LYS 32 N 0.06 0.00 -0.17 5.19 1.57 -0.79 -1.58 116.57 120.85 1pma h LYS 32 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1pma h LYS 32 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1pma h LYS 32 CO 0.05 0.20 0.00 1.63 -0.57 0.00 0.00 179.45 180.76 1pma n LYS 33 N -3.72 1.56 -2.49 3.15 5.02 -0.99 -3.54 118.16 117.15 1pma n LYS 33 Ca -0.01 -0.85 -0.23 0.00 -2.02 0.00 0.00 58.31 55.20 1pma n LYS 33 Cb 0.31 -1.31 0.05 0.00 -0.02 0.00 0.00 35.03 34.06 1pma n LYS 33 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1pma s GLY 34 N -1.39 1.78 0.90 0.72 0.00 -0.59 -4.90 107.32 103.83 1pma s GLY 34 Ca 0.27 -1.23 -0.11 0.00 0.00 0.00 0.00 44.72 43.65 1pma s GLY 34 CO 0.21 -0.88 1.15 -1.26 0.00 0.00 0.00 173.10 172.31 1pma n SER 35 N -2.58 0.41 -4.87 1.64 2.88 -1.26 -1.56 113.62 108.27 1pma n SER 35 Ca 0.09 0.44 -0.37 0.00 -1.33 0.00 0.00 58.87 57.70 1pma n SER 35 Cb 0.60 -1.48 -0.06 0.00 -0.75 0.00 0.00 64.21 62.52 1pma n SER 35 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1pma s THR 36 N -2.56 5.39 0.07 2.46 -1.32 -1.26 -3.51 115.64 114.92 1pma s THR 36 Ca 0.68 0.34 -0.26 0.00 -1.21 0.00 0.00 61.69 61.24 1pma s THR 36 Cb -0.24 -3.48 0.07 0.00 -1.51 0.00 0.00 72.50 67.34 1pma s THR 36 CO 0.57 0.59 0.63 0.00 -2.21 0.00 0.00 174.62 174.21 1pma s ALA 37 N -1.06 -1.67 0.36 11.08 0.00 -0.00 -0.71 121.76 129.75 1pma s ALA 37 Ca 0.18 0.84 -0.06 0.00 0.00 0.00 0.00 51.96 52.92 1pma s ALA 37 Cb -0.13 0.51 0.02 0.00 0.00 0.00 0.00 23.12 23.52 1pma s ALA 37 CO 0.07 -0.60 0.56 -0.48 0.00 0.00 0.00 175.76 175.31 1pma s LEU 38 N -2.09 0.76 0.09 0.00 2.34 0.64 0.80 118.68 121.22 1pma s LEU 38 Ca -0.04 -1.40 -0.26 0.00 0.06 0.00 0.00 54.13 52.49 1pma s LEU 38 Cb -0.01 1.83 0.08 0.00 -0.56 0.00 0.00 46.19 47.54 1pma s LEU 38 CO -0.03 -1.41 0.74 -0.83 -1.06 0.00 0.00 176.35 173.76 1pma s GLY 39 N -3.20 -0.53 -0.17 -3.48 0.00 0.34 -0.39 107.32 99.89 1pma s GLY 39 Ca 0.27 0.71 -0.28 0.00 0.00 0.00 0.00 44.72 45.42 1pma s GLY 39 CO 0.18 0.23 0.70 -3.16 0.00 0.00 0.00 173.10 171.06 1pma s MET 40 N -3.46 0.94 0.45 2.90 0.23 -0.65 -0.85 119.30 118.85 1pma s MET 40 Ca 0.03 0.67 -0.22 0.00 -1.03 0.00 0.00 55.69 55.14 1pma s MET 40 Cb -0.01 0.45 -0.09 0.00 -1.53 0.00 0.00 34.83 33.65 1pma s MET 40 CO -0.11 -0.20 1.02 0.15 -2.03 0.00 0.00 175.02 173.86 1pma s LYS 41 N -0.33 3.99 0.00 3.16 1.02 0.28 -2.34 119.74 125.53 1pma s LYS 41 Ca -0.05 1.37 0.00 0.00 0.02 0.00 0.00 55.97 57.31 1pma s LYS 41 Cb -0.03 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1pma s LYS 41 CO 0.05 -0.27 0.00 1.97 -0.92 0.00 0.00 175.35 176.18 1pma n PHE 42 N -0.62 0.00 0.00 3.18 1.16 -0.19 -4.85 117.46 116.14 1pma n PHE 42 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.65 1pma n PHE 42 Cb 0.52 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.39 1pma n PHE 42 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1pma n ALA 43 N -3.00 0.00 -2.49 1.98 0.00 -0.16 -3.25 120.51 113.60 1pma n ALA 43 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pma n ALA 43 Cb 0.00 0.01 0.05 0.00 0.00 0.00 0.00 19.45 19.51 1pma n ALA 43 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1pma n ASN 44 N -0.65 1.73 0.00 0.00 4.05 -1.26 -4.99 115.26 114.13 1pma n ASN 44 Ca 0.00 -2.40 0.00 0.00 0.45 0.00 0.00 54.58 52.63 1pma n ASN 44 Cb 0.00 -0.40 0.00 0.00 1.23 0.00 0.00 39.78 40.61 1pma n ASN 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1pma n GLY 45 N -0.24 2.35 3.31 8.20 0.00 -1.20 -0.26 105.19 117.35 1pma n GLY 45 Ca 0.12 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 1pma n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pma s VAL 46 N -2.47 0.02 0.09 1.61 0.11 -0.70 -1.02 120.40 118.04 1pma s VAL 46 Ca 0.00 -0.20 0.06 0.00 -2.93 0.00 0.00 61.98 58.91 1pma s VAL 46 Cb 0.00 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 1pma s VAL 46 CO 0.00 -0.11 -0.17 -1.48 -3.33 0.00 0.00 175.10 170.01 1pma s LEU 47 N -0.60 2.29 0.03 2.54 2.34 -0.99 -2.07 118.68 122.21 1pma s LEU 47 Ca -0.07 -0.65 0.09 0.00 0.06 0.00 0.00 54.13 53.56 1pma s LEU 47 Cb -0.04 -0.66 -0.03 0.00 -0.56 0.00 0.00 46.19 44.91 1pma s LEU 47 CO 0.03 -0.03 -0.26 -0.76 -1.06 0.00 0.00 176.35 174.27 1pma s LEU 48 N -1.84 2.13 -0.15 1.48 1.02 -0.32 -1.64 118.68 119.36 1pma s LEU 48 Ca 0.02 -0.55 -0.10 0.00 0.02 0.00 0.00 54.13 53.51 1pma s LEU 48 Cb -0.10 -1.30 0.05 0.00 0.02 0.00 0.00 46.19 44.86 1pma s LEU 48 CO 0.03 0.27 0.37 -0.51 0.02 0.00 0.00 176.35 176.53 1pma s ILE 49 N -0.75 -0.02 0.06 -0.59 1.10 0.48 -1.50 121.20 119.98 1pma s ILE 49 Ca 0.11 0.06 0.03 0.00 -0.51 0.00 0.00 60.65 60.34 1pma s ILE 49 Cb -0.10 -0.54 -0.03 0.00 0.15 0.00 0.00 42.46 41.95 1pma s ILE 49 CO 0.01 0.02 -0.10 -0.55 -2.11 0.00 0.00 174.94 172.22 1pma s SER 50 N 0.84 1.18 -0.53 4.50 0.15 0.58 -0.26 113.70 120.17 1pma s SER 50 Ca -0.05 -0.62 -0.25 0.00 0.70 0.00 0.00 55.95 55.72 1pma s SER 50 Cb -0.06 0.01 0.04 0.00 -1.71 0.00 0.00 66.02 64.29 1pma s SER 50 CO -0.06 -0.18 0.98 -0.62 1.20 0.00 0.00 173.24 174.55 1pma s ASP 51 N -1.80 6.41 -1.19 5.45 -1.08 0.11 -0.36 116.67 124.21 1pma s ASP 51 Ca -0.05 -0.13 -0.15 0.00 -0.52 0.00 0.00 52.55 51.70 1pma s ASP 51 Cb -0.08 -2.46 0.14 0.00 -1.46 0.00 0.00 42.92 39.06 1pma s ASP 51 CO 0.01 -1.21 1.46 -0.75 0.52 0.00 0.00 175.17 175.20 1pma s LYS 52 N 4.05 4.01 -0.48 4.34 2.20 -1.19 -4.65 119.74 128.02 1pma s LYS 52 Ca 0.35 -2.35 -0.24 0.00 -0.36 0.00 0.00 55.97 53.37 1pma s LYS 52 Cb -0.11 -5.15 0.03 0.00 -1.51 0.00 0.00 37.83 31.09 1pma s LYS 52 CO 0.23 -1.88 0.89 0.15 -0.36 0.00 0.00 175.35 174.38 1pma s LYS 53 N 2.30 3.43 0.06 4.03 1.02 -1.26 -4.19 119.74 125.14 1pma s LYS 53 Ca 0.44 -0.04 0.01 0.00 0.02 0.00 0.00 55.97 56.40 1pma s LYS 53 Cb -0.02 -3.97 -0.04 0.00 -0.52 0.00 0.00 37.83 33.29 1pma s LYS 53 CO 0.00 -1.27 0.14 0.54 -0.92 0.00 0.00 175.35 173.85 1pma s VAL 54 N 3.67 4.95 0.00 3.17 0.11 -1.26 -5.09 120.40 125.95 1pma s VAL 54 Ca 0.33 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 1pma s VAL 54 Cb -0.11 -3.39 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 1pma s VAL 54 CO 0.23 0.16 0.00 -1.14 -3.33 0.00 0.00 175.10 171.02 1pma n ARG 55 N 0.47 0.00 -0.91 1.54 3.00 -1.26 -5.08 116.66 114.42 1pma n ARG 55 Ca -0.08 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.46 1pma n ARG 55 Cb 0.51 0.00 0.14 0.00 0.00 0.00 0.00 32.46 33.12 1pma n ARG 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1pma s SER 56 N -0.65 3.40 0.31 6.15 0.15 -1.26 -4.92 113.70 116.87 1pma s SER 56 Ca 0.00 2.15 0.25 0.00 0.70 0.00 0.00 55.95 59.04 1pma s SER 56 Cb 0.00 -2.56 0.59 0.00 -1.71 0.00 0.00 66.02 62.34 1pma s SER 56 CO 0.00 -2.79 1.69 0.03 1.20 0.00 0.00 173.24 173.37 1pma h ARG 57 N -1.50 0.00 0.00 5.44 3.08 -2.08 -3.24 114.38 116.08 1pma h ARG 57 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1pma h ARG 57 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1pma h ARG 57 CO 0.45 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.63 1pma n LEU 58 N -2.63 0.00 -4.84 3.04 4.32 -1.26 -4.86 117.00 110.78 1pma n LEU 58 Ca 0.05 0.32 -0.32 0.00 -0.02 0.00 0.00 56.01 56.03 1pma n LEU 58 Cb 0.48 -0.32 -0.05 0.00 -1.62 0.00 0.00 43.42 41.91 1pma n LEU 58 CO 0.32 -0.04 0.63 -0.63 -1.22 0.00 0.00 177.39 176.45 1pma s ILE 59 N -2.64 4.52 -0.79 -0.08 -1.09 -1.23 -4.96 121.20 114.94 1pma s ILE 59 Ca 0.23 1.24 -0.06 0.00 -2.23 0.00 0.00 60.65 59.82 1pma s ILE 59 Cb 0.18 -3.67 -0.07 0.00 -1.58 0.00 0.00 42.46 37.31 1pma s ILE 59 CO 0.42 -0.51 3.02 -0.62 -1.23 0.00 0.00 174.94 176.02 1pma n GLU 60 N -1.14 3.05 0.00 2.79 -0.58 -1.26 -4.98 120.64 118.52 1pma n GLU 60 Ca 0.06 -2.10 0.00 0.00 -0.42 0.00 0.00 57.16 54.70 1pma n GLU 60 Cb 0.54 -2.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.04 1pma n GLU 60 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pma n GLN 61 N 2.27 0.00 -0.58 3.49 -0.00 -1.26 -0.64 117.38 120.66 1pma n GLN 61 Ca 0.58 0.00 0.45 0.00 -0.00 0.00 0.00 57.00 58.03 1pma n GLN 61 Cb 0.52 0.00 0.72 0.00 -0.00 0.00 0.00 30.24 31.48 1pma n GLN 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1pma n ASN 62 N 0.86 0.08 0.06 2.61 2.85 -1.26 -1.45 115.26 119.01 1pma n ASN 62 Ca 0.00 1.09 0.21 0.00 -0.11 0.00 0.00 54.58 55.76 1pma n ASN 62 Cb 0.00 -0.54 0.66 0.00 1.24 0.00 0.00 39.78 41.14 1pma n ASN 62 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1pma h SER 63 N 0.00 0.00 -1.20 1.20 0.02 -1.30 -2.64 113.55 109.64 1pma h SER 63 Ca 0.86 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 61.10 1pma h SER 63 Cb 3.18 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 65.58 1pma h SER 63 CO -0.19 0.00 2.03 0.00 -1.14 0.00 0.00 176.83 177.54 1pma n ILE 64 N -3.45 5.00 -2.14 3.27 3.06 -0.53 -4.97 119.36 119.60 1pma n ILE 64 Ca 0.09 -4.21 -0.42 0.00 -2.50 0.00 0.00 62.75 55.71 1pma n ILE 64 Cb 0.81 -1.97 -0.03 0.00 0.54 0.00 0.00 39.64 38.99 1pma n ILE 64 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1pma s GLU 65 N -1.42 4.27 -0.18 9.51 0.41 -1.00 -4.90 118.70 125.38 1pma s GLU 65 Ca 0.54 2.08 0.11 0.00 -0.41 0.00 0.00 54.97 57.29 1pma s GLU 65 Cb 0.22 -3.51 -0.23 0.00 -1.78 0.00 0.00 34.13 28.83 1pma s GLU 65 CO -0.12 -0.59 0.13 1.63 -0.49 0.00 0.00 175.26 175.82 1pma n LYS 66 N 5.13 0.68 -3.17 1.61 5.02 -1.26 -4.82 118.16 121.35 1pma n LYS 66 Ca 0.13 0.11 -0.40 0.00 -2.02 0.00 0.00 58.31 56.13 1pma n LYS 66 Cb 0.43 -1.58 -0.07 0.00 -0.02 0.00 0.00 35.03 33.78 1pma n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pma s ILE 67 N -2.52 5.03 0.03 -0.18 1.01 -1.26 -4.01 121.20 119.30 1pma s ILE 67 Ca -0.16 1.04 0.07 0.00 0.00 0.00 0.00 60.65 61.60 1pma s ILE 67 Cb 0.07 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1pma s ILE 67 CO 0.77 0.08 -0.21 -1.10 0.00 0.00 0.00 174.94 174.47 1pma s GLN 68 N 2.26 1.46 0.21 2.79 -0.21 0.26 -4.98 119.66 121.46 1pma s GLN 68 Ca 0.25 -0.92 -0.22 0.00 0.02 0.00 0.00 55.36 54.48 1pma s GLN 68 Cb -0.16 -1.56 -0.08 0.00 1.00 0.00 0.00 33.01 32.22 1pma s GLN 68 CO 0.09 0.40 0.76 -0.51 -2.12 0.00 0.00 175.29 173.91 1pma s LEU 69 N -1.07 4.42 -0.13 2.90 1.43 -1.26 -0.60 118.68 124.37 1pma s LEU 69 Ca 0.08 1.53 0.14 0.00 -1.03 0.00 0.00 54.13 54.85 1pma s LEU 69 Cb -0.09 -3.53 -0.20 0.00 0.03 0.00 0.00 46.19 42.40 1pma s LEU 69 CO 0.01 0.08 0.12 -0.38 0.23 0.00 0.00 176.35 176.41 1pma n ILE 70 N 0.99 0.84 -3.61 -0.59 5.41 -0.14 -4.91 119.36 117.36 1pma n ILE 70 Ca -0.03 -0.60 -0.05 0.00 1.00 0.00 0.00 62.75 63.07 1pma n ILE 70 Cb 0.50 -0.44 -0.04 0.00 -0.71 0.00 0.00 39.64 38.95 1pma n ILE 70 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1pma s ASP 71 N -4.70 -0.16 0.56 4.38 2.15 -1.03 -4.75 116.67 113.11 1pma s ASP 71 Ca -0.07 0.11 0.08 0.00 0.43 0.00 0.00 52.55 53.10 1pma s ASP 71 Cb 0.06 0.15 0.45 0.00 -0.30 0.00 0.00 42.92 43.28 1pma s ASP 71 CO 0.64 -0.20 1.19 0.44 -0.17 0.00 0.00 175.17 177.08 1pma h ASP 72 N 2.16 0.00 -0.08 -0.34 3.32 -1.99 -0.04 116.42 119.44 1pma h ASP 72 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1pma h ASP 72 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1pma h ASP 72 CO 0.25 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.55 1pma n TYR 73 N -2.39 0.10 -3.67 4.55 4.02 -1.26 -1.52 117.16 117.00 1pma n TYR 73 Ca -0.01 -0.34 -0.09 0.00 -0.01 0.00 0.00 57.90 57.45 1pma n TYR 73 Cb 0.73 -0.03 -0.10 0.00 -0.02 0.00 0.00 39.34 39.93 1pma n TYR 73 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1pma s VAL 74 N -0.78 -0.40 0.31 -0.72 0.11 -0.03 -1.94 120.40 116.96 1pma s VAL 74 Ca 0.07 0.13 0.09 0.00 -2.93 0.00 0.00 61.98 59.34 1pma s VAL 74 Cb 0.04 -0.67 -0.06 0.00 -1.53 0.00 0.00 36.38 34.16 1pma s VAL 74 CO 0.05 0.05 -0.11 0.00 -3.33 0.00 0.00 175.10 171.76 1pma s ALA 75 N 2.13 2.74 -0.00 1.54 0.00 0.53 -0.96 121.76 127.73 1pma s ALA 75 Ca -0.05 -1.99 -0.12 0.00 0.00 0.00 0.00 51.96 49.80 1pma s ALA 75 Cb -0.10 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1pma s ALA 75 CO -0.13 0.09 0.24 0.00 0.00 0.00 0.00 175.76 175.96 1pma s ALA 76 N -2.69 -0.58 0.04 0.00 0.00 0.23 -0.44 121.76 118.31 1pma s ALA 76 Ca 0.31 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.42 1pma s ALA 76 Cb 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 1pma s ALA 76 CO 0.15 -0.25 -0.13 0.54 0.00 0.00 0.00 175.76 176.07 1pma s VAL 77 N -1.44 0.99 0.37 0.00 0.11 -0.54 -0.57 120.40 119.31 1pma s VAL 77 Ca -0.13 -1.02 0.04 0.00 -2.93 0.00 0.00 61.98 57.93 1pma s VAL 77 Cb -0.06 -0.92 -0.05 0.00 -1.53 0.00 0.00 36.38 33.82 1pma s VAL 77 CO 0.03 -0.09 0.08 0.28 -3.33 0.00 0.00 175.10 172.07 1pma s THR 78 N -0.96 0.99 -0.24 5.04 -1.32 -1.26 -0.94 115.64 116.95 1pma s THR 78 Ca -0.01 -2.00 -0.21 0.00 -1.21 0.00 0.00 61.69 58.27 1pma s THR 78 Cb -0.08 -2.60 0.06 0.00 -1.51 0.00 0.00 72.50 68.37 1pma s THR 78 CO 0.01 0.00 0.64 -0.55 -2.21 0.00 0.00 174.62 172.51 1pma s SER 79 N -3.55 -0.70 0.00 8.08 0.15 -0.12 -4.89 113.70 112.66 1pma s SER 79 Ca 0.30 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.26 1pma s SER 79 Cb 0.06 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 1pma s SER 79 CO 0.14 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1pma n GLY 80 N 3.03 0.37 3.59 9.45 0.00 -1.26 -1.29 105.19 119.08 1pma n GLY 80 Ca -0.15 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1pma n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pma s LEU 81 N 0.00 3.44 0.19 0.99 2.01 0.85 -4.87 118.68 121.29 1pma s LEU 81 Ca 0.00 1.44 -0.20 0.00 0.01 0.00 0.00 54.13 55.38 1pma s LEU 81 Cb 0.00 -3.27 0.13 0.00 0.01 0.00 0.00 46.19 43.06 1pma s LEU 81 CO 0.00 -2.06 1.59 1.62 1.01 0.00 0.00 176.35 178.51 1pma h VAL 82 N 7.10 0.20 -0.03 -1.59 3.04 -1.94 -0.58 116.25 122.45 1pma h VAL 82 Ca -0.35 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.38 1pma h VAL 82 Cb 1.21 0.20 -0.06 0.00 -2.01 0.00 0.00 31.29 30.64 1pma h VAL 82 CO 1.04 0.00 -0.36 0.00 -1.01 0.00 0.00 177.57 177.24 1pma h ALA 83 N 1.06 -0.52 -0.62 3.17 0.00 -1.97 -1.14 119.26 119.23 1pma h ALA 83 Ca 0.24 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.24 1pma h ALA 83 Cb 0.54 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1pma h ALA 83 CO -0.66 -0.87 0.20 -0.44 0.00 0.00 0.00 179.25 177.48 1pma h ASP 84 N -0.49 0.15 -0.01 0.00 5.19 -1.72 -1.24 116.42 118.29 1pma h ASP 84 Ca 0.06 0.09 0.03 0.00 -0.62 0.00 0.00 57.03 56.60 1pma h ASP 84 Cb 0.59 0.10 -0.05 0.00 0.18 0.00 0.00 39.33 40.15 1pma h ASP 84 CO -0.30 0.08 -0.33 0.00 -3.12 0.00 0.00 179.24 175.57 1pma h ALA 85 N 1.46 -0.47 -0.33 3.45 0.00 -0.22 -1.76 119.26 121.38 1pma h ALA 85 Ca 0.32 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.29 1pma h ALA 85 Cb 0.45 0.58 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1pma h ALA 85 CO -0.35 -0.84 -0.31 -0.09 0.00 0.00 0.00 179.25 177.66 1pma h ARG 86 N -0.47 -0.26 -0.71 0.00 2.43 -0.05 0.78 114.38 116.10 1pma h ARG 86 Ca 0.06 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1pma h ARG 86 Cb 0.56 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.12 1pma h ARG 86 CO -0.28 -0.18 0.39 -0.24 -1.51 0.00 0.00 179.97 178.16 1pma h VAL 87 N -0.27 0.96 -0.39 0.20 3.04 -1.30 -0.84 116.25 117.64 1pma h VAL 87 Ca 0.16 -0.25 -0.02 0.00 -1.01 0.00 0.00 66.70 65.58 1pma h VAL 87 Cb 0.53 0.18 -0.02 0.00 -2.01 0.00 0.00 31.29 29.97 1pma h VAL 87 CO -0.49 0.13 0.16 0.25 -1.01 0.00 0.00 177.57 176.61 1pma h LEU 88 N 0.71 0.50 0.15 3.16 5.85 -0.11 -1.46 115.31 124.11 1pma h LEU 88 Ca 0.32 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 1pma h LEU 88 Cb 0.22 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1pma h LEU 88 CO -0.20 0.45 -0.07 0.58 -0.34 0.00 0.00 178.44 178.86 1pma h VAL 89 N 0.55 0.99 -0.85 1.05 2.07 0.14 -2.49 116.25 117.72 1pma h VAL 89 Ca 0.14 -0.85 0.14 0.00 0.82 0.00 0.00 66.70 66.95 1pma h VAL 89 Cb 0.11 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1pma h VAL 89 CO -0.01 0.19 0.56 0.44 0.02 0.00 0.00 177.57 178.76 1pma h ASP 90 N -0.63 0.58 -0.33 0.57 3.32 -0.57 0.72 116.42 120.09 1pma h ASP 90 Ca -0.02 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1pma h ASP 90 Cb 0.47 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1pma h ASP 90 CO 0.03 0.29 0.12 0.15 -1.72 0.00 0.00 179.24 178.12 1pma h PHE 91 N 0.61 0.51 -0.69 4.55 3.04 -1.23 -1.74 116.94 122.00 1pma h PHE 91 Ca 0.43 -0.04 0.04 0.00 3.98 0.00 0.00 57.97 62.38 1pma h PHE 91 Cb 0.76 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 39.07 1pma h PHE 91 CO -0.00 0.49 0.41 0.00 -2.02 0.00 0.00 178.31 177.19 1pma h ALA 92 N 0.96 0.92 0.43 2.41 0.00 -0.46 0.16 119.26 123.67 1pma h ALA 92 Ca 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1pma h ALA 92 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1pma h ALA 92 CO -0.01 0.14 -0.29 0.00 0.00 0.00 0.00 179.25 179.09 1pma h ARG 93 N 0.78 -0.67 -0.36 0.00 3.08 -0.68 -0.00 114.38 116.53 1pma h ARG 93 Ca 0.29 0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.32 1pma h ARG 93 Cb 0.10 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1pma h ARG 93 CO -0.14 -0.45 -0.07 -0.84 -1.07 0.00 0.00 179.97 177.40 1pma h ILE 94 N -0.70 1.23 -0.87 2.04 3.07 -1.18 -1.93 117.51 119.17 1pma h ILE 94 Ca -0.04 -0.97 -0.00 0.00 1.55 0.00 0.00 64.86 65.39 1pma h ILE 94 Cb 0.58 1.03 -0.04 0.00 -0.27 0.00 0.00 36.82 38.12 1pma h ILE 94 CO 0.03 0.33 0.53 -1.28 -1.05 0.00 0.00 178.15 176.71 1pma h SER 95 N 0.55 1.03 0.15 2.16 0.87 -0.34 -0.39 113.55 117.58 1pma h SER 95 Ca 0.11 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1pma h SER 95 Cb 0.45 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1pma h SER 95 CO 0.02 0.79 -0.11 0.00 -0.53 0.00 0.00 176.83 177.00 1pma h ALA 96 N 1.29 -0.24 -0.74 6.23 0.00 -0.27 -2.29 119.26 123.24 1pma h ALA 96 Ca 0.31 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.29 1pma h ALA 96 Cb -0.06 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 1pma h ALA 96 CO -0.06 -0.64 0.37 1.96 0.00 0.00 0.00 179.25 180.87 1pma h GLN 97 N -0.26 0.58 -0.13 0.00 1.08 -0.96 -1.62 115.11 113.80 1pma h GLN 97 Ca -0.01 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1pma h GLN 97 Cb 0.23 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.48 1pma h GLN 97 CO -0.00 0.38 -0.18 1.96 -0.95 0.00 0.00 178.83 180.04 1pma h GLN 98 N 0.60 -0.22 -0.31 1.46 4.20 -0.55 0.22 115.11 120.50 1pma h GLN 98 Ca 0.38 0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.13 1pma h GLN 98 Cb 0.44 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1pma h GLN 98 CO -0.30 -0.15 0.14 1.49 -0.67 0.00 0.00 178.83 179.34 1pma h GLU 99 N -0.23 0.29 -0.75 1.46 4.81 -0.84 -0.81 114.58 118.51 1pma h GLU 99 Ca 0.10 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.42 1pma h GLU 99 Cb 0.37 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.61 1pma h GLU 99 CO -0.26 0.19 0.37 0.87 -0.73 0.00 0.00 179.01 179.45 1pma h LYS 100 N 0.30 0.58 0.00 1.92 1.57 -0.68 0.74 116.57 121.00 1pma h LYS 100 Ca 0.13 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 1pma h LYS 100 Cb 0.07 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1pma h LYS 100 CO -0.11 0.38 -0.55 -0.24 -0.57 0.00 0.00 179.45 178.37 1pma h VAL 101 N 0.60 1.32 0.09 0.50 3.04 0.25 0.30 116.25 122.34 1pma h VAL 101 Ca 0.38 -1.92 -0.31 0.00 -1.01 0.00 0.00 66.70 63.85 1pma h VAL 101 Cb 0.46 2.06 -0.02 0.00 -2.01 0.00 0.00 31.29 31.78 1pma h VAL 101 CO -0.30 0.54 -1.67 0.00 -1.01 0.00 0.00 177.57 175.12 1pma h THR 102 N 0.00 0.79 0.00 3.17 1.03 -0.22 -3.39 112.91 114.28 1pma h THR 102 Ca -0.01 -2.31 0.00 0.00 -0.01 0.00 0.00 66.41 64.09 1pma h THR 102 Cb 1.01 2.47 0.00 0.00 -1.07 0.00 0.00 68.15 70.56 1pma h THR 102 CO 0.07 0.69 -1.25 -1.22 -0.01 0.00 0.00 175.52 173.80 1pma n TYR 103 N -3.85 0.15 -0.31 0.00 4.01 0.16 -4.97 117.16 112.36 1pma n TYR 103 Ca -0.30 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1pma n TYR 103 Cb 0.91 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 1pma n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pma n GLY 104 N 1.37 1.03 3.64 2.72 0.00 0.10 -4.99 105.19 109.06 1pma n GLY 104 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1pma n GLY 104 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pma s SER 105 N -3.00 -0.22 -0.97 1.61 0.15 -1.20 -4.94 113.70 105.13 1pma s SER 105 Ca 0.00 0.41 -0.22 0.00 0.70 0.00 0.00 55.95 56.85 1pma s SER 105 Cb 0.00 0.46 0.08 0.00 -1.71 0.00 0.00 66.02 64.85 1pma s SER 105 CO 0.00 -0.07 1.33 -0.22 1.20 0.00 0.00 173.24 175.48 1pma s LEU 106 N 0.18 4.03 0.01 3.45 2.96 -1.26 -4.63 118.68 123.41 1pma s LEU 106 Ca 0.05 -1.61 -0.23 0.00 -0.22 0.00 0.00 54.13 52.11 1pma s LEU 106 Cb -0.05 -2.51 -0.17 0.00 0.50 0.00 0.00 46.19 43.96 1pma s LEU 106 CO -0.12 -1.37 1.31 1.62 -1.32 0.00 0.00 176.35 176.48 1pma h VAL 107 N 6.44 1.36 -3.45 1.68 3.04 -1.97 -3.43 116.25 119.92 1pma h VAL 107 Ca 0.16 -1.19 -0.61 0.00 -1.01 0.00 0.00 66.70 64.05 1pma h VAL 107 Cb 1.02 2.00 -0.37 0.00 -2.01 0.00 0.00 31.29 31.93 1pma h VAL 107 CO 1.31 0.33 -0.81 0.21 -1.01 0.00 0.00 177.57 177.61 1pma s ASN 108 N -5.88 3.41 0.50 3.17 3.84 -1.26 -1.40 114.94 117.32 1pma s ASN 108 Ca -0.15 -0.91 0.20 0.00 0.21 0.00 0.00 52.86 52.21 1pma s ASN 108 Cb 0.03 -1.20 1.27 0.00 -0.55 0.00 0.00 41.25 40.81 1pma s ASN 108 CO 0.71 -0.16 2.08 -0.29 -2.79 0.00 0.00 177.10 176.65 1pma h ILE 109 N 6.43 0.90 -0.35 -5.21 2.10 -1.96 -2.06 117.51 117.36 1pma h ILE 109 Ca -0.26 -0.37 0.05 0.00 1.08 0.00 0.00 64.86 65.35 1pma h ILE 109 Cb 1.09 1.21 -0.02 0.00 -1.09 0.00 0.00 36.82 38.02 1pma h ILE 109 CO 0.46 0.10 0.24 -0.08 -1.08 0.00 0.00 178.15 177.79 1pma h GLU 110 N 0.00 0.27 -0.31 2.19 4.81 -2.00 -1.29 114.58 118.25 1pma h GLU 110 Ca -0.00 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.05 1pma h GLU 110 Cb 0.20 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 1pma h GLU 110 CO 0.01 0.18 -0.46 -0.97 -0.73 0.00 0.00 179.01 177.04 1pma h ASN 111 N 0.28 0.89 0.16 1.04 -0.73 -1.80 -0.49 115.58 114.93 1pma h ASN 111 Ca 0.15 -0.44 0.01 0.00 1.87 0.00 0.00 56.30 57.90 1pma h ASN 111 Cb 0.25 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.56 1pma h ASN 111 CO -0.03 1.21 -0.24 0.25 -0.37 0.00 0.00 177.43 178.25 1pma h LEU 112 N 0.66 -0.67 -0.69 0.34 5.85 -1.34 -0.30 115.31 119.14 1pma h LEU 112 Ca 0.04 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1pma h LEU 112 Cb 1.04 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 1pma h LEU 112 CO 0.10 -0.34 0.37 1.62 -0.34 0.00 0.00 178.44 179.85 1pma h VAL 113 N -0.47 1.22 -0.99 1.05 3.04 -1.41 -2.31 116.25 116.38 1pma h VAL 113 Ca 0.02 -0.57 0.09 0.00 -1.01 0.00 0.00 66.70 65.23 1pma h VAL 113 Cb 0.47 0.33 -0.08 0.00 -2.01 0.00 0.00 31.29 30.01 1pma h VAL 113 CO -0.11 0.25 0.63 0.11 -1.01 0.00 0.00 177.57 177.44 1pma h LYS 114 N 0.96 1.04 -0.28 4.17 1.57 -0.35 0.27 116.57 123.95 1pma h LYS 114 Ca 0.24 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1pma h LYS 114 Cb 0.06 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1pma h LYS 114 CO -0.04 0.69 0.03 -0.09 -0.57 0.00 0.00 179.45 179.47 1pma h ARG 115 N 1.07 0.47 -0.52 3.15 2.43 -0.54 -1.26 114.38 119.17 1pma h ARG 115 Ca 0.46 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.46 1pma h ARG 115 Cb 0.33 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1pma h ARG 115 CO -0.22 0.59 0.15 -0.24 -1.51 0.00 0.00 179.97 178.74 1pma h VAL 116 N 0.28 1.21 -0.60 0.20 3.04 -0.98 -2.26 116.25 117.14 1pma h VAL 116 Ca 0.08 -0.74 -0.04 0.00 -1.01 0.00 0.00 66.70 65.00 1pma h VAL 116 Cb 0.36 0.65 -0.03 0.00 -2.01 0.00 0.00 31.29 30.26 1pma h VAL 116 CO 0.01 0.28 0.23 0.00 -1.01 0.00 0.00 177.57 177.08 1pma h ALA 117 N 1.40 0.78 -0.88 3.17 0.00 -0.68 -2.31 119.26 120.74 1pma h ALA 117 Ca 0.17 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pma h ALA 117 Cb 0.25 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1pma h ALA 117 CO -0.01 0.40 0.57 -0.44 0.00 0.00 0.00 179.25 179.77 1pma h ASP 118 N 0.83 1.01 0.22 0.00 5.19 -0.86 0.26 116.42 123.08 1pma h ASP 118 Ca 0.20 -0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.59 1pma h ASP 118 Cb 0.21 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 39.43 1pma h ASP 118 CO -0.02 0.74 -0.39 -0.61 -3.12 0.00 0.00 179.24 175.84 1pma h GLN 119 N 1.19 -0.67 -0.78 3.56 -0.00 -0.88 -1.33 115.11 116.20 1pma h GLN 119 Ca 0.32 0.05 0.10 0.00 -0.00 0.00 0.00 58.65 59.11 1pma h GLN 119 Cb -0.12 0.15 -0.07 0.00 0.00 0.00 0.00 27.48 27.43 1pma h GLN 119 CO -0.07 -0.45 0.42 0.52 0.00 0.00 0.00 178.83 179.26 1pma h MET 120 N -0.69 0.69 -0.39 1.69 2.86 -0.95 -1.04 114.93 117.09 1pma h MET 120 Ca 0.00 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1pma h MET 120 Cb 0.68 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1pma h MET 120 CO -0.17 0.45 0.26 0.37 1.06 0.00 0.00 176.91 178.89 1pma h GLN 121 N 0.71 0.46 -0.49 1.72 -0.00 -0.25 -2.49 115.11 114.77 1pma h GLN 121 Ca 0.38 -0.03 0.05 0.00 -0.00 0.00 0.00 58.65 59.06 1pma h GLN 121 Cb 0.38 -0.10 -0.05 0.00 0.00 0.00 0.00 27.48 27.71 1pma h GLN 121 CO -0.26 0.30 0.21 1.96 0.00 0.00 0.00 178.83 181.04 1pma h GLN 122 N 0.47 0.40 0.00 1.69 4.20 -0.08 0.39 115.11 122.17 1pma h GLN 122 Ca 0.15 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1pma h GLN 122 Cb 0.03 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1pma h GLN 122 CO -0.03 0.26 0.00 0.66 -0.67 0.00 0.00 178.83 179.05 1pma n TYR 123 N -4.95 0.00 0.14 2.96 4.02 -0.94 -1.35 117.16 117.03 1pma n TYR 123 Ca 0.04 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.01 1pma n TYR 123 Cb 0.16 -0.16 0.05 0.00 -0.02 0.00 0.00 39.34 39.37 1pma n TYR 123 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1pma h THR 124 N 0.00 0.28 0.00 -0.72 2.02 -0.93 -3.38 112.91 110.18 1pma h THR 124 Ca 0.00 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.73 1pma h THR 124 Cb 0.06 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1pma h THR 124 CO 0.00 0.16 -0.36 0.00 0.37 0.00 0.00 175.52 175.69 1pma n GLN 125 N -2.97 3.29 -0.74 6.66 10.64 -0.62 -4.85 117.38 128.80 1pma n GLN 125 Ca 0.00 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.04 1pma n GLN 125 Cb 0.64 -0.62 -0.09 0.00 -0.86 0.00 0.00 30.24 29.30 1pma n GLN 125 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1pma n TYR 126 N -0.62 0.45 0.00 2.61 4.01 -0.46 -4.94 117.16 118.21 1pma n TYR 126 Ca 0.00 -1.36 0.00 0.00 -0.16 0.00 0.00 57.90 56.38 1pma n TYR 126 Cb 0.00 -1.40 0.00 0.00 -0.31 0.00 0.00 39.34 37.63 1pma n TYR 126 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pma n GLY 127 N 2.95 2.97 3.39 2.72 0.00 -1.26 -4.41 105.19 111.56 1pma n GLY 127 Ca 0.36 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 1pma n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pma n GLY 128 N 0.00 0.24 3.64 -0.02 0.00 -1.26 -4.58 105.19 103.21 1pma n GLY 128 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.42 1pma n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pma s VAL 129 N 7.59 0.00 -0.07 1.61 0.11 -1.26 -5.16 120.40 123.22 1pma s VAL 129 Ca 0.55 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.33 1pma s VAL 129 Cb 0.08 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.91 1pma s VAL 129 CO 0.24 0.00 0.88 -0.60 -3.33 0.00 0.00 175.10 172.29 1pma s ARG 130 N 0.42 4.45 0.59 1.54 3.52 -1.26 -4.90 118.95 123.30 1pma s ARG 130 Ca 0.02 1.19 -0.18 0.00 -0.13 0.00 0.00 55.73 56.62 1pma s ARG 130 Cb -0.05 -3.50 -0.06 0.00 -1.56 0.00 0.00 34.95 29.79 1pma s ARG 130 CO -0.11 -0.13 0.83 -2.30 -0.81 0.00 0.00 175.30 172.78 1pma n PRO 131 N 4.36 0.77 -2.28 5.12 -0.02 -1.26 -4.90 135.00 136.79 1pma n PRO 131 Ca 0.04 0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 61.40 1pma n PRO 131 Cb 0.50 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 1pma n PRO 131 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1pma s TYR 132 N -1.58 2.57 -1.25 6.00 1.51 -1.26 -4.91 117.35 118.44 1pma s TYR 132 Ca 0.74 0.74 -0.12 0.00 -1.01 0.00 0.00 57.07 57.42 1pma s TYR 132 Cb -0.43 -3.64 0.17 0.00 -0.11 0.00 0.00 41.96 37.95 1pma s TYR 132 CO 0.49 -2.41 1.67 0.41 -1.11 0.00 0.00 175.55 174.59 1pma n GLY 133 N 3.78 4.04 3.53 0.71 0.00 -1.26 -4.56 105.19 111.43 1pma n GLY 133 Ca 0.15 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 43.99 1pma n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pma s VAL 134 N 1.07 0.00 0.01 1.61 0.11 -1.26 -0.10 120.40 121.83 1pma s VAL 134 Ca 0.42 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.50 1pma s VAL 134 Cb 0.04 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1pma s VAL 134 CO 0.00 0.00 -0.10 -0.44 -3.33 0.00 0.00 175.10 171.23 1pma s SER 135 N -1.35 1.18 0.09 3.54 0.01 -0.41 -2.79 113.70 113.96 1pma s SER 135 Ca -0.06 -0.28 -0.05 0.00 1.31 0.00 0.00 55.95 56.86 1pma s SER 135 Cb -0.00 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.11 1pma s SER 135 CO 0.05 0.05 0.12 -1.48 0.41 0.00 0.00 173.24 172.38 1pma s LEU 136 N -0.61 1.75 -0.04 2.44 0.05 -0.06 -0.95 118.68 121.27 1pma s LEU 136 Ca 0.01 -0.84 0.01 0.00 0.05 0.00 0.00 54.13 53.36 1pma s LEU 136 Cb -0.05 0.71 0.02 0.00 -2.05 0.00 0.00 46.19 44.81 1pma s LEU 136 CO 0.00 -0.71 -0.06 0.27 -0.55 0.00 0.00 176.35 175.30 1pma s ILE 137 N -3.91 0.64 -0.08 1.48 -4.36 -0.11 -0.14 121.20 114.72 1pma s ILE 137 Ca 0.09 -0.21 -0.04 0.00 -0.26 0.00 0.00 60.65 60.23 1pma s ILE 137 Cb 0.06 -0.63 -0.04 0.00 1.25 0.00 0.00 42.46 43.10 1pma s ILE 137 CO -0.08 0.24 0.08 -0.36 0.24 0.00 0.00 174.94 175.06 1pma s PHE 138 N 0.73 3.39 -0.09 1.37 0.08 -0.55 -1.47 117.98 121.43 1pma s PHE 138 Ca -0.11 0.35 -0.13 0.00 0.12 0.00 0.00 56.93 57.17 1pma s PHE 138 Cb -0.13 -1.85 0.03 0.00 -0.57 0.00 0.00 43.02 40.50 1pma s PHE 138 CO 0.01 0.61 0.33 0.00 -0.10 0.00 0.00 175.22 176.06 1pma s ALA 139 N -1.02 -0.81 0.00 5.36 0.00 0.41 -1.39 121.76 124.31 1pma s ALA 139 Ca 0.16 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1pma s ALA 139 Cb -0.12 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1pma s ALA 139 CO 0.06 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1pma n GLY 140 N 2.38 -1.99 3.28 0.00 0.00 -0.97 -0.35 105.19 107.54 1pma n GLY 140 Ca -0.16 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 1pma n GLY 140 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pma s ILE 141 N -2.19 2.66 0.00 -0.61 -1.16 -0.82 -0.54 121.20 118.54 1pma s ILE 141 Ca 0.00 -0.78 0.00 0.00 -0.51 0.00 0.00 60.65 59.36 1pma s ILE 141 Cb 0.00 -2.11 0.00 0.00 0.61 0.00 0.00 42.46 40.96 1pma s ILE 141 CO 0.00 0.53 0.00 -0.90 -2.81 0.00 0.00 174.94 171.76 1pma n ASP 142 N 3.83 1.39 -0.04 4.50 3.85 -0.78 -4.87 116.55 124.43 1pma n ASP 142 Ca -0.19 -0.31 0.06 0.00 -0.71 0.00 0.00 54.79 53.65 1pma n ASP 142 Cb 0.52 0.00 0.43 0.00 -1.35 0.00 0.00 41.12 40.72 1pma n ASP 142 CO 0.00 0.00 0.00 -0.61 -1.01 0.00 0.00 177.20 175.58 1pma h GLN 143 N 0.00 0.53 0.07 0.11 5.75 -1.49 -2.28 115.11 117.79 1pma h GLN 143 Ca 0.00 -0.03 -0.24 0.00 -0.15 0.00 0.00 58.65 58.22 1pma h GLN 143 Cb 0.00 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.43 1pma h GLN 143 CO 0.00 0.35 -1.09 0.82 -2.65 0.00 0.00 178.83 176.26 1pma h ILE 144 N 0.55 1.50 0.00 2.39 2.04 -1.96 -3.50 117.51 118.52 1pma h ILE 144 Ca 0.20 -2.89 0.00 0.00 1.00 0.00 0.00 64.86 63.17 1pma h ILE 144 Cb 0.11 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1pma h ILE 144 CO -0.05 0.84 0.00 0.61 0.00 0.00 0.00 178.15 179.55 1pma n GLY 145 N 1.28 0.51 3.76 5.37 0.00 -0.86 -5.08 105.19 110.16 1pma n GLY 145 Ca -0.06 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 1pma n GLY 145 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pma s PRO 146 N -2.00 4.11 0.05 1.61 0.02 -1.26 -1.87 135.00 135.66 1pma s PRO 146 Ca 0.00 2.58 0.02 0.00 0.02 0.00 0.00 61.00 63.62 1pma s PRO 146 Cb 0.00 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 31.49 1pma s PRO 146 CO 0.00 -0.60 -0.08 1.03 -0.33 0.00 0.00 177.00 177.02 1pma s ARG 147 N -1.09 0.58 -0.11 5.54 0.52 0.30 -4.91 118.95 119.78 1pma s ARG 147 Ca 0.59 -0.85 -0.04 0.00 -0.52 0.00 0.00 55.73 54.91 1pma s ARG 147 Cb -0.47 -0.30 0.06 0.00 0.52 0.00 0.00 34.95 34.76 1pma s ARG 147 CO 0.54 0.04 0.22 -1.17 0.02 0.00 0.00 175.30 174.95 1pma s LEU 148 N -1.81 -0.12 0.15 2.53 2.96 -1.26 -2.30 118.68 118.83 1pma s LEU 148 Ca -0.06 0.49 0.04 0.00 -0.22 0.00 0.00 54.13 54.38 1pma s LEU 148 Cb -0.08 0.55 -0.04 0.00 0.50 0.00 0.00 46.19 47.12 1pma s LEU 148 CO -0.00 -0.23 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.35 1pma s PHE 149 N 2.23 1.25 0.11 5.38 0.40 -0.48 -1.26 117.98 125.60 1pma s PHE 149 Ca 0.00 -0.79 0.05 0.00 -0.60 0.00 0.00 56.93 55.60 1pma s PHE 149 Cb -0.12 -0.65 -0.04 0.00 0.51 0.00 0.00 43.02 42.72 1pma s PHE 149 CO -0.07 0.05 -0.13 0.16 0.70 0.00 0.00 175.22 175.92 1pma s ASP 150 N -3.17 1.79 -0.10 1.36 -4.77 -0.97 -1.49 116.67 109.32 1pma s ASP 150 Ca 0.17 -0.78 -0.06 0.00 -3.30 0.00 0.00 52.55 48.58 1pma s ASP 150 Cb 0.03 -0.04 0.04 0.00 -1.09 0.00 0.00 42.92 41.86 1pma s ASP 150 CO 0.01 -0.17 0.23 0.00 0.70 0.00 0.00 175.17 175.94 1pma s ASP 152 N 0.91 5.10 0.60 0.00 -4.77 -1.06 -0.88 116.67 116.56 1pma s ASP 152 Ca -0.06 -0.75 0.29 0.00 -3.30 0.00 0.00 52.55 48.73 1pma s ASP 152 Cb -0.08 -0.47 1.50 0.00 -1.09 0.00 0.00 42.92 42.78 1pma s ASP 152 CO -0.06 -0.73 1.91 -0.65 0.70 0.00 0.00 175.17 176.34 1pma h PRO 153 N 0.92 0.00 0.00 2.11 0.11 -1.76 0.43 132.00 133.80 1pma h PRO 153 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1pma h PRO 153 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1pma h PRO 153 CO 0.55 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 1pma h ALA 154 N 1.47 1.00 0.00 -0.75 0.00 -1.89 -3.43 119.26 115.65 1pma h ALA 154 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1pma h ALA 154 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1pma h ALA 154 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1pma n GLY 155 N 0.88 0.64 3.74 0.00 0.00 0.15 -4.48 105.19 106.12 1pma n GLY 155 Ca 0.04 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 1pma n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pma s THR 156 N -2.00 4.45 0.00 2.61 2.01 -1.25 -4.79 115.64 116.67 1pma s THR 156 Ca 0.00 1.93 0.02 0.00 0.31 0.00 0.00 61.69 63.95 1pma s THR 156 Cb 0.00 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.25 1pma s THR 156 CO 0.00 0.39 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.76 1pma s ILE 157 N -0.38 0.39 0.15 1.82 2.07 -1.26 -2.58 121.20 121.40 1pma s ILE 157 Ca 0.43 -0.35 -0.10 0.00 -1.41 0.00 0.00 60.65 59.22 1pma s ILE 157 Cb -0.23 -0.36 -0.00 0.00 0.13 0.00 0.00 42.46 42.00 1pma s ILE 157 CO 0.28 0.02 0.28 0.20 -1.91 0.00 0.00 174.94 173.81 1pma s ASN 158 N -0.37 0.03 -0.09 4.50 -0.87 -1.17 -5.01 114.94 111.96 1pma s ASN 158 Ca -0.00 -0.76 0.00 0.00 -1.57 0.00 0.00 52.86 50.53 1pma s ASN 158 Cb -0.03 0.42 -0.03 0.00 -0.02 0.00 0.00 41.25 41.59 1pma s ASN 158 CO -0.00 -0.86 -0.09 -0.70 -2.57 0.00 0.00 177.10 172.88 1pma s GLU 159 N -3.93 2.99 0.40 -0.60 2.12 -1.26 -2.29 118.70 116.14 1pma s GLU 159 Ca 0.13 -0.59 0.06 0.00 0.36 0.00 0.00 54.97 54.92 1pma s GLU 159 Cb 0.03 -2.62 -0.07 0.00 0.26 0.00 0.00 34.13 31.74 1pma s GLU 159 CO -0.04 0.50 0.02 0.71 -0.54 0.00 0.00 175.26 175.91 1pma s TYR 160 N -0.37 2.32 -0.12 5.30 1.51 -0.39 -5.00 117.35 120.60 1pma s TYR 160 Ca 0.05 -0.77 0.12 0.00 -1.01 0.00 0.00 57.07 55.46 1pma s TYR 160 Cb -0.12 -1.65 -0.24 0.00 -0.11 0.00 0.00 41.96 39.84 1pma s TYR 160 CO 0.02 0.32 0.35 1.17 -1.11 0.00 0.00 175.55 176.31 1pma n LYS 161 N -0.94 0.67 -3.55 -0.62 3.00 -1.26 -4.48 118.16 110.96 1pma n LYS 161 Ca -0.06 0.17 -0.10 0.00 -0.00 0.00 0.00 58.31 58.32 1pma n LYS 161 Cb 0.67 -1.66 -0.04 0.00 0.00 0.00 0.00 35.03 33.99 1pma n LYS 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pma s ALA 162 N -2.55 -1.90 -0.00 3.14 0.00 -1.26 -0.55 121.76 118.63 1pma s ALA 162 Ca -0.10 1.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 1pma s ALA 162 Cb 0.07 -0.34 0.11 0.00 0.00 0.00 0.00 23.12 22.97 1pma s ALA 162 CO 0.81 -0.43 1.18 -0.08 0.00 0.00 0.00 175.76 177.24 1pma s THR 163 N -1.73 0.00 0.28 0.00 -1.32 -0.03 -4.98 115.64 107.86 1pma s THR 163 Ca 0.00 -0.27 0.02 0.00 -1.21 0.00 0.00 61.69 60.23 1pma s THR 163 Cb -0.01 -1.80 -0.03 0.00 -1.51 0.00 0.00 72.50 69.16 1pma s THR 163 CO -0.01 0.00 0.25 0.00 -2.21 0.00 0.00 174.62 172.65 1pma s ALA 164 N -2.65 1.39 0.13 11.08 0.00 -1.26 -0.51 121.76 129.94 1pma s ALA 164 Ca 0.13 -1.82 -0.24 0.00 0.00 0.00 0.00 51.96 50.03 1pma s ALA 164 Cb 0.02 1.39 0.07 0.00 0.00 0.00 0.00 23.12 24.61 1pma s ALA 164 CO -0.03 -0.66 0.60 -1.50 0.00 0.00 0.00 175.76 174.17 1pma s ILE 165 N -3.72 0.00 0.00 0.00 1.10 0.24 -4.93 121.20 113.90 1pma s ILE 165 Ca 0.38 -0.03 0.00 0.00 -0.51 0.00 0.00 60.65 60.49 1pma s ILE 165 Cb 0.04 -1.01 0.00 0.00 0.15 0.00 0.00 42.46 41.64 1pma s ILE 165 CO 0.20 -0.02 0.00 0.61 -2.11 0.00 0.00 174.94 173.62 1pma n GLY 166 N -0.20 0.31 0.02 1.50 0.00 -1.26 -0.82 105.19 104.74 1pma n GLY 166 Ca -0.17 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 43.99 1pma n GLY 166 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1pma h SER 167 N 0.00 -0.05 -0.01 1.61 0.87 -1.33 -3.31 113.55 111.34 1pma h SER 167 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1pma h SER 167 Cb 0.00 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1pma h SER 167 CO 0.00 -0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.88 1pma n GLY 168 N -0.48 2.34 0.01 5.77 0.00 -1.26 -4.52 105.19 107.05 1pma n GLY 168 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 1pma n GLY 168 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1pma h LYS 169 N 0.65 -0.03 -1.00 1.61 3.64 -1.83 -1.46 116.57 118.16 1pma h LYS 169 Ca 0.00 0.00 0.31 0.00 -1.27 0.00 0.00 60.65 59.69 1pma h LYS 169 Cb 1.00 0.01 -0.18 0.00 -0.41 0.00 0.00 32.23 32.65 1pma h LYS 169 CO 0.01 -0.02 0.15 -0.44 -2.27 0.00 0.00 179.45 176.88 1pma h ASP 170 N -0.03 -0.29 0.00 4.20 3.32 -1.90 0.30 116.42 122.02 1pma h ASP 170 Ca -0.00 0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1pma h ASP 170 Cb 0.02 0.44 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1pma h ASP 170 CO 0.00 -0.38 0.00 0.00 -1.72 0.00 0.00 179.24 177.15 1pma n ALA 171 N -2.93 -0.31 -0.16 3.45 0.00 -1.14 -2.22 120.51 117.20 1pma n ALA 171 Ca 0.27 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.89 1pma n ALA 171 Cb 0.89 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.89 1pma n ALA 171 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1pma h VAL 172 N 0.00 0.73 -0.22 0.00 3.04 -0.24 0.38 116.25 119.94 1pma h VAL 172 Ca 0.00 -0.11 -0.09 0.00 -1.01 0.00 0.00 66.70 65.49 1pma h VAL 172 Cb 0.00 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 29.65 1pma h VAL 172 CO 0.00 0.06 -0.25 1.62 -1.01 0.00 0.00 177.57 177.99 1pma h VAL 173 N 0.32 1.26 0.20 1.51 3.04 -0.46 -2.42 116.25 119.69 1pma h VAL 173 Ca 0.39 -1.23 -0.01 0.00 -1.01 0.00 0.00 66.70 64.84 1pma h VAL 173 Cb 1.03 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1pma h VAL 173 CO -0.11 0.38 -0.10 0.28 -1.01 0.00 0.00 177.57 177.02 1pma h SER 174 N 0.37 -0.23 -0.50 3.17 0.02 -0.44 0.18 113.55 116.12 1pma h SER 174 Ca 0.06 -0.21 0.09 0.00 -0.84 0.00 0.00 61.79 60.88 1pma h SER 174 Cb 0.64 0.06 -0.10 0.00 0.14 0.00 0.00 62.40 63.13 1pma h SER 174 CO 0.05 0.10 -0.35 0.15 -1.14 0.00 0.00 176.83 175.63 1pma h PHE 175 N -0.57 -0.99 0.00 3.45 3.04 -1.35 0.20 116.94 120.72 1pma h PHE 175 Ca -0.03 0.07 0.01 0.00 3.98 0.00 0.00 57.97 62.00 1pma h PHE 175 Cb 0.42 0.51 -0.01 0.00 2.56 0.00 0.00 35.95 39.44 1pma h PHE 175 CO 0.02 -0.39 -0.03 -0.07 -2.02 0.00 0.00 178.31 175.82 1pma h LEU 176 N -0.22 -0.08 -1.46 0.59 -0.00 -1.38 0.47 115.31 113.23 1pma h LEU 176 Ca 0.20 0.01 0.27 0.00 -0.00 0.00 0.00 57.88 58.36 1pma h LEU 176 Cb 0.55 0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.21 1pma h LEU 176 CO -0.62 -0.05 0.99 -0.08 -0.00 0.00 0.00 178.44 178.69 1pma h GLU 177 N -0.05 0.00 0.00 1.13 4.57 0.23 1.00 114.58 121.46 1pma h GLU 177 Ca 0.01 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.84 1pma h GLU 177 Cb 0.07 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.61 1pma h GLU 177 CO -0.03 0.00 -2.16 -2.13 -1.18 0.00 0.00 179.01 173.51 1pma n ARG 178 N -3.49 0.44 -0.47 1.92 0.63 0.02 -4.76 116.66 110.95 1pma n ARG 178 Ca 0.21 0.19 0.09 0.00 -0.92 0.00 0.00 57.85 57.42 1pma n ARG 178 Cb 1.29 -1.24 0.31 0.00 0.45 0.00 0.00 32.46 33.28 1pma n ARG 178 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1pma n GLU 179 N -3.92 3.30 -2.06 -0.14 1.02 0.15 -4.99 120.64 114.00 1pma n GLU 179 Ca -0.41 -2.70 -0.42 0.00 -0.02 0.00 0.00 57.16 53.61 1pma n GLU 179 Cb 0.79 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 1pma n GLU 179 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1pma s TYR 180 N -1.57 2.70 -0.40 -0.32 5.04 0.29 -4.97 117.35 118.12 1pma s TYR 180 Ca 0.46 0.58 -0.12 0.00 -2.44 0.00 0.00 57.07 55.55 1pma s TYR 180 Cb 0.28 -3.83 0.04 0.00 0.35 0.00 0.00 41.96 38.80 1pma s TYR 180 CO 0.24 -3.19 0.25 0.21 -1.34 0.00 0.00 175.55 171.73 1pma s LYS 181 N 2.30 2.83 0.00 4.97 2.47 -1.26 -5.04 119.74 126.00 1pma s LYS 181 Ca 0.69 -1.15 0.00 0.00 -1.56 0.00 0.00 55.97 53.95 1pma s LYS 181 Cb -0.37 -3.82 0.00 0.00 -1.46 0.00 0.00 37.83 32.18 1pma s LYS 181 CO 0.30 -0.78 0.06 -1.91 0.16 0.00 0.00 175.35 173.19 1pma n GLU 182 N 5.03 0.00 -1.46 4.03 4.07 -1.26 -2.36 120.64 128.69 1pma n GLU 182 Ca -0.11 0.06 -0.29 0.00 -0.06 0.00 0.00 57.16 56.75 1pma n GLU 182 Cb 0.45 -0.25 0.00 0.00 -0.06 0.00 0.00 31.44 31.59 1pma n GLU 182 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1pma n ASN 183 N -0.23 6.91 -4.71 4.31 5.03 -1.26 -4.64 115.26 120.67 1pma n ASN 183 Ca 0.00 -3.42 -0.42 0.00 0.87 0.00 0.00 54.58 51.61 1pma n ASN 183 Cb 0.00 -1.12 -0.03 0.00 -1.02 0.00 0.00 39.78 37.61 1pma n ASN 183 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1pma s LEU 184 N -2.81 4.37 0.49 3.41 2.96 -1.00 -4.18 118.68 121.92 1pma s LEU 184 Ca 0.53 2.62 -0.23 0.00 -0.22 0.00 0.00 54.13 56.83 1pma s LEU 184 Cb 0.39 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.43 1pma s LEU 184 CO -0.20 -0.88 1.30 -2.84 -1.32 0.00 0.00 176.35 172.42 1pma s PRO 185 N 1.74 3.52 0.01 0.98 0.02 -1.26 -0.98 135.00 139.03 1pma s PRO 185 Ca 0.73 2.11 -0.02 0.00 0.02 0.00 0.00 61.00 63.84 1pma s PRO 185 Cb -0.43 -2.43 -0.00 0.00 0.02 0.00 0.00 34.50 31.65 1pma s PRO 185 CO 0.32 -0.84 0.70 -1.91 -0.33 0.00 0.00 177.00 174.94 1pma n GLU 186 N -0.57 -0.03 -0.33 5.54 2.13 -1.26 -0.77 120.64 125.35 1pma n GLU 186 Ca 0.08 0.70 0.20 0.00 0.66 0.00 0.00 57.16 58.80 1pma n GLU 186 Cb 0.45 -1.04 0.40 0.00 0.27 0.00 0.00 31.44 31.52 1pma n GLU 186 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1pma h LYS 187 N 0.00 0.06 0.09 5.31 3.64 -2.00 0.91 116.57 124.58 1pma h LYS 187 Ca 0.01 -0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.12 1pma h LYS 187 Cb 0.03 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1pma h LYS 187 CO -0.06 0.04 -1.15 0.93 -2.27 0.00 0.00 179.45 176.95 1pma h GLU 188 N 0.07 0.44 -0.54 1.90 5.08 -1.31 -2.71 114.58 117.50 1pma h GLU 188 Ca 0.68 -0.59 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1pma h GLU 188 Cb 1.56 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.97 1pma h GLU 188 CO -0.80 1.24 0.33 0.00 -1.00 0.00 0.00 179.01 178.78 1pma h ALA 189 N 0.53 0.70 -0.58 3.43 0.00 0.28 0.19 119.26 123.81 1pma h ALA 189 Ca -0.14 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1pma h ALA 189 Cb 1.82 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1pma h ALA 189 CO 0.20 0.06 0.11 -0.24 0.00 0.00 0.00 179.25 179.39 1pma h VAL 190 N 0.67 1.24 0.30 0.00 3.04 -0.81 -1.33 116.25 119.36 1pma h VAL 190 Ca 0.22 -0.91 -0.01 0.00 -1.01 0.00 0.00 66.70 64.98 1pma h VAL 190 Cb 0.00 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 29.96 1pma h VAL 190 CO -0.09 0.34 -0.14 0.74 -1.01 0.00 0.00 177.57 177.41 1pma h THR 191 N 0.88 0.73 -0.78 3.17 2.02 -0.83 0.18 112.91 118.28 1pma h THR 191 Ca 0.18 -0.39 0.14 0.00 0.77 0.00 0.00 66.41 67.11 1pma h THR 191 Cb 0.36 0.95 -0.09 0.00 -1.74 0.00 0.00 68.15 67.62 1pma h THR 191 CO 0.00 0.08 0.34 0.25 0.37 0.00 0.00 175.52 176.57 1pma h LEU 192 N -0.61 0.36 0.87 2.58 5.85 -0.62 0.14 115.31 123.89 1pma h LEU 192 Ca -0.04 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1pma h LEU 192 Cb 0.44 0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.54 1pma h LEU 192 CO 0.07 0.15 -0.42 1.23 -0.34 0.00 0.00 178.44 179.13 1pma h GLY 193 N 0.51 -1.22 0.62 3.75 0.00 -0.94 0.21 103.07 106.01 1pma h GLY 193 Ca 0.42 0.45 0.17 0.00 0.00 0.00 0.00 47.33 48.37 1pma h GLY 193 CO -0.38 -0.44 0.51 1.19 0.00 0.00 0.00 176.54 177.42 1pma h ILE 194 N -1.17 0.73 -0.17 2.60 2.10 -0.05 0.37 117.51 121.92 1pma h ILE 194 Ca -0.12 -0.10 -0.05 0.00 1.08 0.00 0.00 64.86 65.68 1pma h ILE 194 Cb 0.90 0.43 -0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1pma h ILE 194 CO 0.20 0.05 -0.07 0.50 -1.08 0.00 0.00 178.15 177.75 1pma h LYS 195 N 0.28 0.35 -0.29 2.19 3.64 -0.40 -1.12 116.57 121.21 1pma h LYS 195 Ca 0.37 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1pma h LYS 195 Cb 1.03 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1pma h LYS 195 CO -0.09 0.65 0.16 0.00 -2.27 0.00 0.00 179.45 177.90 1pma h ALA 196 N 0.69 0.36 -0.16 5.00 0.00 0.29 -1.59 119.26 123.85 1pma h ALA 196 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pma h ALA 196 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1pma h ALA 196 CO 0.02 -0.22 0.11 1.25 0.00 0.00 0.00 179.25 180.41 1pma h LEU 197 N 0.33 0.19 0.00 0.00 5.85 -0.66 -2.92 115.31 118.10 1pma h LEU 197 Ca 0.12 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1pma h LEU 197 Cb 0.01 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1pma h LEU 197 CO -0.06 0.14 0.00 1.17 -0.34 0.00 0.00 178.44 179.35 1pma n LYS 198 N -4.97 0.00 -0.17 1.25 4.81 -0.43 -2.24 118.16 116.41 1pma n LYS 198 Ca -0.04 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1pma n LYS 198 Cb 0.03 -1.12 0.03 0.00 0.02 0.00 0.00 35.03 33.98 1pma n LYS 198 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1pma n SER 199 N -1.24 -0.26 0.00 3.14 3.41 -0.64 0.16 113.62 118.19 1pma n SER 199 Ca 0.00 0.76 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 1pma n SER 199 Cb 0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1pma n SER 199 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1pma n SER 200 N -4.66 0.00 0.18 4.04 2.88 -0.95 -3.42 113.62 111.69 1pma n SER 200 Ca 0.05 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.72 1pma n SER 200 Cb 0.18 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.27 1pma n SER 200 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1pma h LEU 201 N 0.00 0.00 -3.95 2.46 7.12 -1.28 -3.33 115.31 116.33 1pma h LEU 201 Ca 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 57.93 1pma h LEU 201 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.10 1pma h LEU 201 CO 0.00 0.00 -0.07 -0.62 -0.13 0.00 0.00 178.44 177.62 1pma n GLU 202 N -2.40 1.11 0.07 1.25 4.71 0.12 -3.23 120.64 122.27 1pma n GLU 202 Ca -0.00 -0.43 -0.11 0.00 -0.01 0.00 0.00 57.16 56.60 1pma n GLU 202 Cb 0.13 -1.59 -0.13 0.00 -1.01 0.00 0.00 31.44 28.84 1pma n GLU 202 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1pma h GLU 203 N 3.23 0.13 -1.06 3.49 4.22 -1.78 -3.28 114.58 119.52 1pma h GLU 203 Ca 0.08 -0.22 -0.15 0.00 0.08 0.00 0.00 59.36 59.16 1pma h GLU 203 Cb 0.90 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.15 1pma h GLU 203 CO 0.20 1.05 0.19 0.41 -2.18 0.00 0.00 179.01 178.68 1pma n GLY 204 N 1.47 2.75 5.00 1.92 0.00 -1.20 -4.96 105.19 110.18 1pma n GLY 204 Ca -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1pma n GLY 204 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pma n GLU 205 N 0.12 0.00 -2.11 1.61 4.07 -1.24 -4.80 120.64 118.30 1pma n GLU 205 Ca 0.16 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.84 1pma n GLU 205 Cb 0.80 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.15 1pma n GLU 205 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1pma s GLU 206 N 0.00 4.11 0.22 5.31 2.12 -1.26 -4.89 118.70 124.32 1pma s GLU 206 Ca 0.00 1.99 0.25 0.00 0.36 0.00 0.00 54.97 57.57 1pma s GLU 206 Cb 0.00 -3.95 0.90 0.00 0.26 0.00 0.00 34.13 31.34 1pma s GLU 206 CO 0.00 -0.91 1.74 -0.11 -0.54 0.00 0.00 175.26 175.45 1pma n LEU 207 N 7.30 0.71 0.00 2.70 7.94 -1.26 -4.97 117.00 129.41 1pma n LEU 207 Ca 0.17 0.62 0.00 0.00 -1.11 0.00 0.00 56.01 55.69 1pma n LEU 207 Cb 0.44 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 43.93 1pma n LEU 207 CO 0.62 -0.36 0.00 1.17 -1.11 0.00 0.00 177.39 177.70 1pma n LYS 208 N -2.22 0.00 -3.78 1.96 3.00 -1.26 -4.35 118.16 111.51 1pma n LYS 208 Ca 0.04 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.98 1pma n LYS 208 Cb 0.32 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.23 1pma n LYS 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pma s ALA 209 N -1.94 3.02 0.54 3.14 0.00 -1.26 -5.08 121.76 120.18 1pma s ALA 209 Ca 0.00 -1.91 -0.17 0.00 0.00 0.00 0.00 51.96 49.88 1pma s ALA 209 Cb 0.00 -2.24 -0.06 0.00 0.00 0.00 0.00 23.12 20.82 1pma s ALA 209 CO 0.00 -1.42 1.02 -2.14 0.00 0.00 0.00 175.76 173.22 1pma s PRO 210 N 1.32 3.69 -0.22 0.00 0.02 -1.26 -3.17 135.00 135.38 1pma s PRO 210 Ca -0.01 1.09 -0.06 0.00 0.02 0.00 0.00 61.00 62.05 1pma s PRO 210 Cb -0.20 -2.09 -0.02 0.00 0.02 0.00 0.00 34.50 32.20 1pma s PRO 210 CO 0.01 -0.49 0.02 -2.00 -0.33 0.00 0.00 177.00 174.20 1pma s GLU 211 N -3.98 3.60 0.00 5.54 2.12 0.51 -4.85 118.70 121.65 1pma s GLU 211 Ca 0.61 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 55.44 1pma s GLU 211 Cb -0.13 -3.16 -0.00 0.00 0.26 0.00 0.00 34.13 31.10 1pma s GLU 211 CO 0.32 -0.08 -0.03 -1.50 -0.54 0.00 0.00 175.26 173.42 1pma s ILE 212 N 1.27 0.26 0.01 -3.70 2.07 -1.26 -0.31 121.20 119.54 1pma s ILE 212 Ca 0.04 -0.24 -0.08 0.00 -1.41 0.00 0.00 60.65 58.97 1pma s ILE 212 Cb -0.15 -0.24 0.00 0.00 0.13 0.00 0.00 42.46 42.21 1pma s ILE 212 CO 0.02 0.01 0.15 0.00 -1.91 0.00 0.00 174.94 173.20 1pma s ALA 213 N -0.23 -0.31 -0.04 1.50 0.00 -0.56 -1.34 121.76 120.77 1pma s ALA 213 Ca -0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 1pma s ALA 213 Cb -0.02 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.29 1pma s ALA 213 CO -0.00 -0.26 0.35 -1.54 0.00 0.00 0.00 175.76 174.31 1pma s SER 214 N -1.64 -0.27 0.10 0.00 1.04 0.17 -1.18 113.70 111.94 1pma s SER 214 Ca -0.11 0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.65 1pma s SER 214 Cb -0.05 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1pma s SER 214 CO -0.00 -0.39 -0.13 -0.51 0.98 0.00 0.00 173.24 173.19 1pma s ILE 215 N -0.98 1.17 0.02 -1.02 2.07 -0.88 -0.86 121.20 120.72 1pma s ILE 215 Ca -0.10 -1.60 0.03 0.00 -1.41 0.00 0.00 60.65 57.57 1pma s ILE 215 Cb -0.04 -1.38 -0.02 0.00 0.13 0.00 0.00 42.46 41.16 1pma s ILE 215 CO 0.04 -0.41 -0.11 0.28 -1.91 0.00 0.00 174.94 172.83 1pma s THR 216 N -2.03 0.82 0.20 4.00 -1.32 -1.26 -1.73 115.64 114.33 1pma s THR 216 Ca 0.05 -0.74 -0.31 0.00 -1.21 0.00 0.00 61.69 59.48 1pma s THR 216 Cb -0.05 -0.75 -0.16 0.00 -1.51 0.00 0.00 72.50 70.03 1pma s THR 216 CO 0.02 0.01 0.98 0.55 -2.21 0.00 0.00 174.62 173.97 1pma n VAL 217 N 2.23 1.41 0.00 5.08 3.14 0.65 -1.56 118.33 129.27 1pma n VAL 217 Ca -0.17 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 1pma n VAL 217 Cb 0.56 -0.67 0.00 0.00 -1.06 0.00 0.00 33.84 32.67 1pma n VAL 217 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pma n GLY 218 N 1.73 2.27 1.62 7.55 0.00 -1.26 -5.03 105.19 112.06 1pma n GLY 218 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 1pma n GLY 218 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pma n ASN 219 N 0.00 -0.79 -4.89 1.61 6.94 -0.60 -5.17 115.26 112.35 1pma n ASN 219 Ca 0.00 -1.82 -0.29 0.00 -0.02 0.00 0.00 54.58 52.45 1pma n ASN 219 Cb 0.00 1.39 0.05 0.00 -2.36 0.00 0.00 39.78 38.86 1pma n ASN 219 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1pma s LYS 220 N -2.24 2.73 0.37 -3.83 1.02 -1.26 -4.52 119.74 112.00 1pma s LYS 220 Ca 0.11 0.30 -0.28 0.00 0.02 0.00 0.00 55.97 56.13 1pma s LYS 220 Cb -0.01 -2.06 -0.10 0.00 -0.52 0.00 0.00 37.83 35.14 1pma s LYS 220 CO 0.08 -1.05 1.34 0.71 -0.92 0.00 0.00 175.35 175.50 1pma s TYR 221 N -3.32 2.88 -0.14 3.18 2.02 -0.57 -4.56 117.35 116.84 1pma s TYR 221 Ca 0.58 1.37 0.01 0.00 -0.37 0.00 0.00 57.07 58.66 1pma s TYR 221 Cb -0.11 -3.74 0.02 0.00 -0.40 0.00 0.00 41.96 37.73 1pma s TYR 221 CO 0.50 -2.15 -0.17 0.50 -1.57 0.00 0.00 175.55 172.66 1pma s ARG 222 N -2.01 2.54 -0.19 -0.62 3.52 -0.04 -4.99 118.95 117.16 1pma s ARG 222 Ca 0.52 -0.66 -0.12 0.00 -0.13 0.00 0.00 55.73 55.34 1pma s ARG 222 Cb -0.40 -2.19 -0.05 0.00 -1.56 0.00 0.00 34.95 30.75 1pma s ARG 222 CO 0.53 -0.14 0.22 0.42 -0.81 0.00 0.00 175.30 175.53 1pma s ILE 223 N 1.17 5.34 0.24 4.11 1.01 -1.26 0.46 121.20 132.28 1pma s ILE 223 Ca -0.01 0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 1pma s ILE 223 Cb -0.14 -3.56 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 1pma s ILE 223 CO -0.07 0.39 1.27 -0.31 0.00 0.00 0.00 174.94 176.23 1pma s TYR 224 N 0.57 3.26 0.45 3.97 1.51 -0.45 -4.99 117.35 121.67 1pma s TYR 224 Ca 0.12 1.34 -0.17 0.00 -1.01 0.00 0.00 57.07 57.36 1pma s TYR 224 Cb -0.12 -3.57 -0.09 0.00 -0.11 0.00 0.00 41.96 38.07 1pma s TYR 224 CO 0.02 -1.66 0.91 0.16 -1.11 0.00 0.00 175.55 173.88 1pma s ASP 225 N -0.03 6.72 0.16 2.29 -4.77 -1.26 -4.81 116.67 114.96 1pma s ASP 225 Ca 0.53 1.51 -0.14 0.00 -3.30 0.00 0.00 52.55 51.14 1pma s ASP 225 Cb -0.36 -2.47 0.13 0.00 -1.09 0.00 0.00 42.92 39.13 1pma s ASP 225 CO 0.42 -0.45 1.11 1.67 0.70 0.00 0.00 175.17 178.61 1pma n GLN 226 N -1.13 -0.19 -0.23 2.11 7.27 -1.26 0.06 117.38 124.00 1pma n GLN 226 Ca 0.06 1.09 -0.07 0.00 0.07 0.00 0.00 57.00 58.15 1pma n GLN 226 Cb 0.54 -1.62 0.04 0.00 2.41 0.00 0.00 30.24 31.60 1pma n GLN 226 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1pma h GLU 227 N 0.00 1.02 -0.42 3.69 3.07 -1.98 -1.76 114.58 118.19 1pma h GLU 227 Ca 0.22 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1pma h GLU 227 Cb 0.40 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1pma h GLU 227 CO -0.70 0.89 0.27 1.49 -1.40 0.00 0.00 179.01 179.57 1pma h GLU 228 N 0.95 0.55 -0.49 2.33 4.81 -0.74 -1.57 114.58 120.42 1pma h GLU 228 Ca 0.21 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 1pma h GLU 228 Cb 0.31 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1pma h GLU 228 CO -0.01 0.37 -0.21 -0.24 -0.73 0.00 0.00 179.01 178.20 1pma h VAL 229 N 0.57 1.27 0.00 0.32 3.04 -1.18 -2.44 116.25 117.82 1pma h VAL 229 Ca 0.15 -1.37 -0.00 0.00 -1.01 0.00 0.00 66.70 64.47 1pma h VAL 229 Cb -0.06 1.11 -0.00 0.00 -2.01 0.00 0.00 31.29 30.33 1pma h VAL 229 CO -0.03 0.48 -0.02 0.50 -1.01 0.00 0.00 177.57 177.48 1pma h LYS 230 N 0.86 0.00 -0.47 4.17 3.64 -0.98 -0.63 116.57 123.16 1pma h LYS 230 Ca 0.11 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 1pma h LYS 230 Cb 0.79 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 1pma h LYS 230 CO 0.07 0.02 -0.14 -0.22 -2.27 0.00 0.00 179.45 176.91 1pma h LYS 231 N 0.00 0.88 0.00 1.90 3.64 -0.78 -2.86 116.57 119.34 1pma h LYS 231 Ca -0.00 -0.32 -0.18 0.00 -1.27 0.00 0.00 60.65 58.88 1pma h LYS 231 Cb 0.09 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1pma h LYS 231 CO 0.00 0.96 -1.06 0.74 -2.27 0.00 0.00 179.45 177.82 1pma h PHE 232 N 0.78 0.00 0.00 1.91 -1.00 -1.31 -3.52 116.94 113.80 1pma h PHE 232 Ca 0.12 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.90 1pma h PHE 232 Cb 0.66 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.22 1pma h PHE 232 CO 0.04 0.74 0.00 -0.11 -1.61 0.00 0.00 178.31 177.36