#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 0.00 12.58 -7.23 -1.26 -4.86 120.40 119.64 1pma s VAL 14 Ca 0.00 -1.76 -0.29 0.00 -1.81 0.00 0.00 61.98 58.12 1pma s VAL 14 Cb 0.00 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1pma s VAL 14 CO 0.00 0.00 0.92 -0.36 -0.31 0.00 0.00 175.10 175.35 1pma s PHE 15 N -3.47 3.67 0.68 2.82 0.08 -1.26 -4.29 117.98 116.21 1pma s PHE 15 Ca 0.34 1.63 -0.11 0.00 0.12 0.00 0.00 56.93 58.91 1pma s PHE 15 Cb 0.02 -3.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 1pma s PHE 15 CO 0.20 0.04 1.07 -1.54 -0.10 0.00 0.00 175.22 174.89 1pma s SER 16 N 0.82 5.62 0.00 1.36 1.04 -0.46 -4.90 113.70 117.18 1pma s SER 16 Ca 0.49 1.26 0.00 0.00 0.48 0.00 0.00 55.95 58.18 1pma s SER 16 Cb -0.21 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1pma s SER 16 CO 0.26 -1.24 0.93 -2.65 0.98 0.00 0.00 173.24 171.52 1pma n PRO 17 N -2.96 0.00 -0.14 4.02 -0.02 -1.26 -0.77 135.00 133.87 1pma n PRO 17 Ca 0.07 0.43 0.09 0.00 -2.02 0.00 0.00 63.50 62.07 1pma n PRO 17 Cb 0.56 -1.55 0.16 0.00 -0.02 0.00 0.00 33.50 32.65 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 -1.43 3.02 -0.08 2.55 5.75 -1.26 -4.99 116.55 120.11 1pma n ASP 18 Ca 0.00 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 1pma n ASP 18 Cb 0.05 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 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 1.13 0.74 3.27 6.12 0.00 0.05 -5.09 105.19 111.40 1pma n GLY 19 Ca 0.15 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.57 1.08 -0.78 1.61 0.52 -1.26 -4.88 118.95 111.69 1pma s ARG 20 Ca 0.00 -1.14 -0.16 0.00 -0.52 0.00 0.00 55.73 53.91 1pma s ARG 20 Cb 0.00 -1.31 0.16 0.00 0.52 0.00 0.00 34.95 34.32 1pma s ARG 20 CO 0.00 0.30 0.82 -0.51 0.02 0.00 0.00 175.30 175.93 1pma s LEU 21 N -1.89 5.98 0.33 2.53 2.01 -1.26 -1.35 118.68 125.03 1pma s LEU 21 Ca 0.05 -2.18 0.08 0.00 0.01 0.00 0.00 54.13 52.09 1pma s LEU 21 Cb -0.10 -2.28 0.78 0.00 0.01 0.00 0.00 46.19 44.61 1pma s LEU 21 CO 0.04 -0.84 1.81 -0.26 1.01 0.00 0.00 176.35 178.11 1pma h PHE 22 N 8.45 0.96 -0.74 0.29 0.04 -1.98 -0.13 116.94 123.83 1pma h PHE 22 Ca -0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1pma h PHE 22 Cb 1.05 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 38.87 1pma h PHE 22 CO 1.00 0.26 0.44 1.96 -0.60 0.00 0.00 178.31 181.37 1pma h GLN 23 N 0.73 1.01 -0.49 1.51 1.08 -1.91 -0.47 115.11 116.57 1pma h GLN 23 Ca 0.54 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 57.57 1pma h GLN 23 Cb 0.88 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 1pma h GLN 23 CO -0.31 0.73 0.04 -0.24 -0.95 0.00 0.00 178.83 178.09 1pma h VAL 24 N 1.02 1.24 0.37 -0.54 3.04 -1.46 -0.84 116.25 119.08 1pma h VAL 24 Ca 0.27 -0.94 -0.02 0.00 -1.01 0.00 0.00 66.70 65.00 1pma h VAL 24 Cb -0.02 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 1pma h VAL 24 CO -0.05 0.34 -0.18 -0.33 -1.01 0.00 0.00 177.57 176.34 1pma h GLU 25 N 0.74 -0.49 -0.85 4.17 4.39 -0.71 -1.88 114.58 119.96 1pma h GLU 25 Ca 0.15 0.03 0.16 0.00 0.34 0.00 0.00 59.36 60.04 1pma h GLU 25 Cb 0.40 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.10 1pma h GLU 25 CO 0.01 -0.25 0.56 1.88 -1.16 0.00 0.00 179.01 180.05 1pma h TYR 26 N -0.63 0.66 -0.16 4.33 0.05 -0.78 0.43 116.97 120.88 1pma h TYR 26 Ca -0.05 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1pma h TYR 26 Cb 0.46 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1pma h TYR 26 CO -0.02 0.23 0.10 0.00 -1.05 0.00 0.00 178.16 177.42 1pma h ALA 27 N 1.62 0.19 -0.98 3.88 0.00 -0.68 -2.34 119.26 120.94 1pma h ALA 27 Ca 0.43 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.55 1pma h ALA 27 Cb 0.85 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 1pma h ALA 27 CO -0.18 -0.33 0.62 0.00 0.00 0.00 0.00 179.25 179.37 1pma h ARG 28 N 0.20 0.54 -0.19 0.00 3.08 0.65 0.85 114.38 119.51 1pma h ARG 28 Ca 0.06 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.11 1pma h ARG 28 Cb -0.01 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1pma h ARG 28 CO -0.02 0.36 -0.03 0.93 -1.07 0.00 0.00 179.97 180.14 1pma h GLU 29 N 0.56 0.02 -0.84 0.04 4.39 -0.98 -2.15 114.58 115.63 1pma h GLU 29 Ca 0.55 -0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.39 1pma h GLU 29 Cb 1.14 -0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.69 1pma h GLU 29 CO -0.29 0.01 0.43 0.00 -1.16 0.00 0.00 179.01 178.00 1pma h ALA 30 N 1.18 1.25 -0.18 3.43 0.00 -0.79 0.67 119.26 124.82 1pma h ALA 30 Ca 0.09 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1pma h ALA 30 Cb 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1pma h ALA 30 CO -0.18 -0.09 -0.20 -0.39 0.00 0.00 0.00 179.25 178.39 1pma h VAL 31 N 0.61 1.23 -0.81 0.00 -1.51 -1.27 -2.47 116.25 112.03 1pma h VAL 31 Ca 0.45 -1.04 -0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1pma h VAL 31 Cb 0.63 1.31 -0.04 0.00 -2.13 0.00 0.00 31.29 31.06 1pma h VAL 31 CO -0.36 0.32 0.51 0.11 -1.23 0.00 0.00 177.57 176.92 1pma h LYS 32 N 0.29 1.09 -0.14 5.19 1.57 -0.38 -1.18 116.57 123.01 1pma h LYS 32 Ca 0.05 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1pma h LYS 32 Cb 0.52 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1pma h LYS 32 CO 0.03 0.75 0.00 1.63 -0.57 0.00 0.00 179.45 181.29 1pma n LYS 33 N -4.39 0.94 -2.81 3.15 5.02 -0.93 -2.80 118.16 116.34 1pma n LYS 33 Ca 0.09 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.17 1pma n LYS 33 Cb 0.05 -1.07 0.06 0.00 -0.02 0.00 0.00 35.03 34.05 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 -0.92 1.79 0.89 0.72 0.00 -0.45 -4.92 107.32 104.44 1pma s GLY 34 Ca 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 44.72 42.84 1pma s GLY 34 CO 0.00 -1.36 1.13 -0.45 0.00 0.00 0.00 173.10 172.42 1pma s SER 35 N -4.59 3.25 -0.08 1.64 0.15 -1.26 -1.10 113.70 111.70 1pma s SER 35 Ca 0.61 2.07 -0.09 0.00 0.70 0.00 0.00 55.95 59.24 1pma s SER 35 Cb -0.07 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1pma s SER 35 CO 0.40 -2.88 0.22 0.28 1.20 0.00 0.00 173.24 172.46 1pma s THR 36 N -2.71 5.37 0.15 6.45 -1.32 -1.26 -2.97 115.64 119.35 1pma s THR 36 Ca 0.65 0.36 -0.17 0.00 -1.21 0.00 0.00 61.69 61.32 1pma s THR 36 Cb -0.21 -3.49 0.04 0.00 -1.51 0.00 0.00 72.50 67.32 1pma s THR 36 CO 0.58 0.59 0.46 0.00 -2.21 0.00 0.00 174.62 174.04 1pma s ALA 37 N -1.06 -0.98 0.34 11.08 0.00 0.84 -1.63 121.76 130.34 1pma s ALA 37 Ca 0.18 -0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.96 1pma s ALA 37 Cb -0.13 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.79 1pma s ALA 37 CO 0.07 -0.71 0.64 -0.48 0.00 0.00 0.00 175.76 175.28 1pma s LEU 38 N -2.83 0.36 -0.01 0.00 2.34 0.12 0.13 118.68 118.78 1pma s LEU 38 Ca 0.05 -1.18 -0.28 0.00 0.06 0.00 0.00 54.13 52.78 1pma s LEU 38 Cb 0.01 2.23 0.10 0.00 -0.56 0.00 0.00 46.19 47.96 1pma s LEU 38 CO -0.09 -1.45 0.82 -0.83 -1.06 0.00 0.00 176.35 173.74 1pma s GLY 39 N -3.10 -0.47 -0.12 -3.48 0.00 0.34 -1.03 107.32 99.45 1pma s GLY 39 Ca 0.21 1.19 -0.29 0.00 0.00 0.00 0.00 44.72 45.83 1pma s GLY 39 CO 0.14 0.56 0.68 -3.16 0.00 0.00 0.00 173.10 171.32 1pma s MET 40 N -2.47 0.98 0.46 2.90 0.23 -0.75 -1.38 119.30 119.26 1pma s MET 40 Ca -0.00 0.48 -0.21 0.00 -1.03 0.00 0.00 55.69 54.94 1pma s MET 40 Cb -0.01 0.46 -0.10 0.00 -1.53 0.00 0.00 34.83 33.66 1pma s MET 40 CO -0.04 -0.25 0.99 0.15 -2.03 0.00 0.00 175.02 173.84 1pma s LYS 41 N -0.69 4.02 0.00 3.16 1.02 0.11 -2.13 119.74 125.23 1pma s LYS 41 Ca -0.08 1.24 0.00 0.00 0.02 0.00 0.00 55.97 57.16 1pma s LYS 41 Cb -0.02 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 1pma s LYS 41 CO 0.07 -0.23 0.00 1.97 -0.92 0.00 0.00 175.35 176.24 1pma n PHE 42 N -0.79 -0.01 0.00 3.18 1.16 -0.77 -4.85 117.46 115.38 1pma n PHE 42 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.66 1pma n PHE 42 Cb 0.53 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 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 -2.61 1.98 0.00 0.56 -3.55 120.51 113.89 1pma n ALA 43 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1pma n ALA 43 Cb 0.00 0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.79 1.21 0.00 0.00 4.05 -1.26 -4.99 115.26 113.48 1pma n ASN 44 Ca 0.00 -2.02 0.00 0.00 0.45 0.00 0.00 54.58 53.01 1pma n ASN 44 Cb 0.00 -0.36 0.00 0.00 1.23 0.00 0.00 39.78 40.65 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 0.11 2.50 3.30 8.20 0.00 -1.23 -0.06 105.19 118.01 1pma n GLY 45 Ca 0.07 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.85 0.05 0.14 1.61 0.11 -0.55 -1.84 120.40 118.07 1pma s VAL 46 Ca 0.00 -0.45 0.05 0.00 -2.93 0.00 0.00 61.98 58.65 1pma s VAL 46 Cb 0.00 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1pma s VAL 46 CO 0.00 -0.25 -0.12 -1.48 -3.33 0.00 0.00 175.10 169.92 1pma s LEU 47 N -1.70 2.48 0.02 2.54 2.34 -0.91 -1.91 118.68 121.53 1pma s LEU 47 Ca -0.09 -0.92 0.05 0.00 0.06 0.00 0.00 54.13 53.24 1pma s LEU 47 Cb -0.02 -0.43 -0.02 0.00 -0.56 0.00 0.00 46.19 45.16 1pma s LEU 47 CO 0.01 -0.25 -0.16 -0.22 -1.06 0.00 0.00 176.35 174.67 1pma s LEU 48 N -2.85 2.11 -0.14 1.48 2.96 -0.09 -1.81 118.68 120.34 1pma s LEU 48 Ca 0.13 -0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 53.55 1pma s LEU 48 Cb -0.01 -0.77 0.05 0.00 0.50 0.00 0.00 46.19 45.95 1pma s LEU 48 CO 0.02 0.13 0.34 -0.51 -1.32 0.00 0.00 176.35 175.01 1pma s ILE 49 N -0.63 -0.02 0.03 6.68 1.10 -0.20 -1.42 121.20 126.75 1pma s ILE 49 Ca 0.05 0.07 0.04 0.00 -0.51 0.00 0.00 60.65 60.30 1pma s ILE 49 Cb -0.07 -0.50 -0.02 0.00 0.15 0.00 0.00 42.46 42.02 1pma s ILE 49 CO 0.01 0.03 -0.11 -0.55 -2.11 0.00 0.00 174.94 172.21 1pma s SER 50 N 0.89 1.28 -0.47 4.50 0.15 0.54 -0.70 113.70 119.88 1pma s SER 50 Ca -0.06 -0.43 -0.27 0.00 0.70 0.00 0.00 55.95 55.89 1pma s SER 50 Cb -0.07 -0.06 0.03 0.00 -1.71 0.00 0.00 66.02 64.21 1pma s SER 50 CO -0.06 -0.03 1.04 -0.62 1.20 0.00 0.00 173.24 174.76 1pma s ASP 51 N -1.11 6.58 -0.90 5.45 2.15 -0.65 0.02 116.67 128.21 1pma s ASP 51 Ca -0.02 0.32 -0.20 0.00 0.43 0.00 0.00 52.55 53.07 1pma s ASP 51 Cb -0.08 -2.50 0.10 0.00 -0.30 0.00 0.00 42.92 40.14 1pma s ASP 51 CO 0.01 -1.15 1.17 -0.75 -0.17 0.00 0.00 175.17 174.28 1pma s LYS 52 N 4.11 3.50 -0.42 4.34 2.20 -1.12 -4.70 119.74 127.64 1pma s LYS 52 Ca 0.43 -1.43 -0.20 0.00 -0.36 0.00 0.00 55.97 54.41 1pma s LYS 52 Cb -0.09 -4.87 0.02 0.00 -1.51 0.00 0.00 37.83 31.38 1pma s LYS 52 CO 0.29 -1.88 0.62 0.15 -0.36 0.00 0.00 175.35 174.17 1pma s LYS 53 N 3.48 3.33 0.15 4.03 1.02 -1.26 -4.01 119.74 126.48 1pma s LYS 53 Ca 0.34 -0.34 0.04 0.00 0.02 0.00 0.00 55.97 56.03 1pma s LYS 53 Cb -0.06 -3.93 -0.04 0.00 -0.52 0.00 0.00 37.83 33.29 1pma s LYS 53 CO -0.06 -0.95 0.16 0.54 -0.92 0.00 0.00 175.35 174.13 1pma s VAL 54 N 2.74 4.69 0.00 3.17 0.11 -1.26 -5.10 120.40 124.75 1pma s VAL 54 Ca 0.22 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.32 1pma s VAL 54 Cb -0.14 -3.39 0.00 0.00 -1.53 0.00 0.00 36.38 31.32 1pma s VAL 54 CO 0.18 -0.08 0.00 -1.14 -3.33 0.00 0.00 175.10 170.73 1pma n ARG 55 N -0.30 0.00 -0.98 1.54 3.00 -1.26 -5.09 116.66 113.56 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 0.54 0.00 0.13 0.00 0.00 0.00 0.00 32.46 33.13 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 -0.34 3.66 0.39 6.15 0.15 -1.26 -4.93 113.70 117.52 1pma s SER 56 Ca 0.00 2.06 0.21 0.00 0.70 0.00 0.00 55.95 58.92 1pma s SER 56 Cb 0.00 -2.55 0.51 0.00 -1.71 0.00 0.00 66.02 62.27 1pma s SER 56 CO 0.00 -2.61 1.65 0.03 1.20 0.00 0.00 173.24 173.51 1pma h ARG 57 N -1.45 0.00 0.00 5.44 3.08 -2.08 -3.22 114.38 116.16 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 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1pma h ARG 57 CO 0.46 0.26 0.00 1.28 -1.07 0.00 0.00 179.97 180.90 1pma n LEU 58 N -3.24 0.00 -4.83 3.04 4.32 -1.26 -4.79 117.00 110.23 1pma n LEU 58 Ca 0.02 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 55.66 1pma n LEU 58 Cb 0.56 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.30 1pma n LEU 58 CO 0.36 0.00 0.38 -0.63 -1.22 0.00 0.00 177.39 176.27 1pma s ILE 59 N -2.00 4.67 0.00 -0.08 -1.09 -1.22 -4.96 121.20 116.52 1pma s ILE 59 Ca 0.27 1.07 -0.05 0.00 -2.23 0.00 0.00 60.65 59.71 1pma s ILE 59 Cb 0.12 -3.76 -0.24 0.00 -1.58 0.00 0.00 42.46 37.01 1pma s ILE 59 CO 0.21 0.09 3.43 -0.62 -1.23 0.00 0.00 174.94 176.82 1pma n GLU 60 N 0.39 1.87 0.00 2.79 -0.58 -1.26 -4.96 120.64 118.90 1pma n GLU 60 Ca -0.01 -0.89 0.00 0.00 -0.42 0.00 0.00 57.16 55.84 1pma n GLU 60 Cb 0.52 -1.90 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 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 2.42 0.00 -0.39 3.49 -0.00 -1.26 -1.62 117.38 120.02 1pma n GLN 61 Ca 0.38 0.00 0.32 0.00 -0.00 0.00 0.00 57.00 57.71 1pma n GLN 61 Cb 0.87 0.00 0.53 0.00 -0.00 0.00 0.00 30.24 31.64 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 0.96 0.13 0.11 2.61 2.85 -1.26 -1.04 115.26 119.61 1pma n ASN 62 Ca 0.00 0.99 0.18 0.00 -0.11 0.00 0.00 54.58 55.65 1pma n ASN 62 Cb 0.00 -0.49 0.59 0.00 1.24 0.00 0.00 39.78 41.13 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 -1.19 1.20 0.02 -1.72 -2.03 113.55 109.84 1pma h SER 63 Ca 0.67 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.94 1pma h SER 63 Cb 2.28 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 64.68 1pma h SER 63 CO -0.29 0.00 1.87 0.00 -1.14 0.00 0.00 176.83 177.27 1pma n ILE 64 N -3.25 4.82 -2.15 3.27 3.06 -0.21 -4.97 119.36 119.94 1pma n ILE 64 Ca 0.08 -4.08 -0.42 0.00 -2.50 0.00 0.00 62.75 55.83 1pma n ILE 64 Cb 0.83 -1.93 -0.03 0.00 0.54 0.00 0.00 39.64 39.05 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 -1.45 4.26 -0.14 9.51 0.41 -0.76 -4.90 118.70 125.62 1pma s GLU 65 Ca 0.55 2.05 0.09 0.00 -0.41 0.00 0.00 54.97 57.24 1pma s GLU 65 Cb 0.23 -3.57 -0.23 0.00 -1.78 0.00 0.00 34.13 28.78 1pma s GLU 65 CO -0.13 -0.61 0.27 1.63 -0.49 0.00 0.00 175.26 175.93 1pma n LYS 66 N 5.41 0.68 -3.10 1.61 5.02 -1.26 -4.80 118.16 121.71 1pma n LYS 66 Ca 0.14 0.17 -0.41 0.00 -2.02 0.00 0.00 58.31 56.19 1pma n LYS 66 Cb 0.43 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 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 -2.54 4.97 0.00 -0.18 1.01 -1.26 -4.03 121.20 119.17 1pma s ILE 67 Ca -0.15 1.09 0.08 0.00 0.00 0.00 0.00 60.65 61.67 1pma s ILE 67 Cb 0.07 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 1pma s ILE 67 CO 0.78 -0.01 -0.25 -1.10 0.00 0.00 0.00 174.94 174.35 1pma s GLN 68 N 2.54 2.02 0.10 2.79 -0.21 0.26 -4.98 119.66 122.18 1pma s GLN 68 Ca 0.26 -0.99 -0.23 0.00 0.02 0.00 0.00 55.36 54.42 1pma s GLN 68 Cb -0.15 -2.04 -0.07 0.00 1.00 0.00 0.00 33.01 31.75 1pma s GLN 68 CO 0.09 0.55 0.70 -0.51 -2.12 0.00 0.00 175.29 174.00 1pma s LEU 69 N -0.86 4.54 -0.10 2.90 1.43 -1.26 -0.43 118.68 124.89 1pma s LEU 69 Ca 0.11 1.46 0.14 0.00 -1.03 0.00 0.00 54.13 54.81 1pma s LEU 69 Cb -0.10 -3.14 -0.21 0.00 0.03 0.00 0.00 46.19 42.77 1pma s LEU 69 CO 0.00 0.19 0.16 -0.38 0.23 0.00 0.00 176.35 176.55 1pma n ILE 70 N 1.94 0.64 -3.60 -0.59 5.41 0.09 -4.92 119.36 118.33 1pma n ILE 70 Ca -0.06 -0.53 -0.07 0.00 1.00 0.00 0.00 62.75 63.08 1pma n ILE 70 Cb 0.50 -0.34 -0.04 0.00 -0.71 0.00 0.00 39.64 39.05 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 -4.46 -0.24 0.64 4.38 2.15 -0.78 -4.81 116.67 113.56 1pma s ASP 71 Ca -0.07 0.23 0.11 0.00 0.43 0.00 0.00 52.55 53.25 1pma s ASP 71 Cb 0.07 0.20 0.46 0.00 -0.30 0.00 0.00 42.92 43.35 1pma s ASP 71 CO 0.63 -0.24 1.21 0.44 -0.17 0.00 0.00 175.17 177.04 1pma h ASP 72 N 2.32 0.00 -0.15 -0.34 3.32 -2.01 0.41 116.42 119.98 1pma h ASP 72 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 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 0.27 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.57 1pma n TYR 73 N -2.78 0.19 -3.68 4.55 4.02 -1.26 -1.05 117.16 117.15 1pma n TYR 73 Ca 0.06 -0.41 -0.11 0.00 -0.01 0.00 0.00 57.90 57.44 1pma n TYR 73 Cb 1.06 -0.03 -0.09 0.00 -0.02 0.00 0.00 39.34 40.25 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 -0.90 -0.01 0.24 -0.72 0.11 0.14 -2.75 120.40 116.51 1pma s VAL 74 Ca 0.11 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.21 1pma s VAL 74 Cb 0.06 -0.74 -0.05 0.00 -1.53 0.00 0.00 36.38 34.12 1pma s VAL 74 CO 0.08 0.02 0.08 0.00 -3.33 0.00 0.00 175.10 171.95 1pma s ALA 75 N 1.11 1.66 0.06 1.54 0.00 -0.64 -0.73 121.76 124.76 1pma s ALA 75 Ca -0.07 -1.82 -0.12 0.00 0.00 0.00 0.00 51.96 49.95 1pma s ALA 75 Cb -0.06 0.96 0.01 0.00 0.00 0.00 0.00 23.12 24.03 1pma s ALA 75 CO -0.10 -0.43 0.26 0.00 0.00 0.00 0.00 175.76 175.48 1pma s ALA 76 N -3.74 -0.53 0.04 0.00 0.00 0.43 -1.38 121.76 116.59 1pma s ALA 76 Ca 0.35 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.15 1pma s ALA 76 Cb 0.07 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 1pma s ALA 76 CO 0.12 -0.45 -0.12 0.54 0.00 0.00 0.00 175.76 175.85 1pma s VAL 77 N -2.98 0.94 0.22 0.00 0.11 -0.70 -0.58 120.40 117.41 1pma s VAL 77 Ca -0.02 -1.03 0.05 0.00 -2.93 0.00 0.00 61.98 58.05 1pma s VAL 77 Cb 0.01 -0.89 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 1pma s VAL 77 CO -0.06 -0.12 -0.05 0.28 -3.33 0.00 0.00 175.10 171.82 1pma s THR 78 N -1.00 1.23 -0.16 5.04 -1.32 -1.26 -1.20 115.64 116.98 1pma s THR 78 Ca -0.02 -2.07 -0.11 0.00 -1.21 0.00 0.00 61.69 58.28 1pma s THR 78 Cb -0.08 -2.22 0.05 0.00 -1.51 0.00 0.00 72.50 68.73 1pma s THR 78 CO 0.01 -0.44 0.40 -0.55 -2.21 0.00 0.00 174.62 171.83 1pma s SER 79 N -3.30 -0.46 0.00 8.08 0.15 0.52 -4.90 113.70 113.80 1pma s SER 79 Ca 0.25 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1pma s SER 79 Cb 0.04 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 1pma s SER 79 CO 0.07 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1pma n GLY 80 N 3.64 0.56 3.61 9.45 0.00 -1.26 -0.93 105.19 120.25 1pma n GLY 80 Ca -0.19 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 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 3.61 0.22 0.99 2.01 0.06 -4.85 118.68 120.72 1pma s LEU 81 Ca 0.00 1.59 -0.12 0.00 0.01 0.00 0.00 54.13 55.61 1pma s LEU 81 Cb 0.00 -3.52 0.28 0.00 0.01 0.00 0.00 46.19 42.95 1pma s LEU 81 CO 0.00 -1.65 1.63 1.62 1.01 0.00 0.00 176.35 178.96 1pma h VAL 82 N 6.71 0.36 0.50 -1.59 3.04 -1.95 -1.63 116.25 121.69 1pma h VAL 82 Ca -0.36 -0.01 -0.01 0.00 -1.01 0.00 0.00 66.70 65.30 1pma h VAL 82 Cb 1.19 0.34 -0.02 0.00 -2.01 0.00 0.00 31.29 30.78 1pma h VAL 82 CO 1.00 0.00 -0.50 0.00 -1.01 0.00 0.00 177.57 177.07 1pma h ALA 83 N 1.65 -1.13 -0.87 3.17 0.00 -1.97 -2.16 119.26 117.95 1pma h ALA 83 Ca 0.33 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.22 1pma h ALA 83 Cb 0.51 0.72 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 1pma h ALA 83 CO -0.65 -1.17 0.43 -0.44 0.00 0.00 0.00 179.25 177.41 1pma h ASP 84 N -1.00 0.47 0.33 0.00 5.19 -1.82 -1.95 116.42 117.63 1pma h ASP 84 Ca -0.06 0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1pma h ASP 84 Cb 0.87 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.42 1pma h ASP 84 CO -0.06 0.14 -0.29 0.00 -3.12 0.00 0.00 179.24 175.91 1pma h ALA 85 N 1.62 -0.63 -0.15 3.45 0.00 -0.77 -1.15 119.26 121.62 1pma h ALA 85 Ca 0.50 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.36 1pma h ALA 85 Cb 0.82 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1pma h ALA 85 CO -0.42 -0.88 -0.36 -0.09 0.00 0.00 0.00 179.25 177.50 1pma h ARG 86 N -0.63 -0.41 -0.94 0.00 2.43 -0.75 0.45 114.38 114.53 1pma h ARG 86 Ca -0.02 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1pma h ARG 86 Cb 0.56 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.14 1pma h ARG 86 CO -0.03 -0.27 0.59 -0.24 -1.51 0.00 0.00 179.97 178.50 1pma h VAL 87 N -0.42 1.03 -0.67 0.20 3.04 -1.46 0.52 116.25 118.48 1pma h VAL 87 Ca 0.09 -0.36 -0.05 0.00 -1.01 0.00 0.00 66.70 65.38 1pma h VAL 87 Cb 0.58 -0.11 -0.03 0.00 -2.01 0.00 0.00 31.29 29.72 1pma h VAL 87 CO -0.38 0.19 0.24 0.25 -1.01 0.00 0.00 177.57 176.86 1pma h LEU 88 N 1.04 0.96 0.84 3.16 5.85 0.27 -1.29 115.31 126.14 1pma h LEU 88 Ca 0.42 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1pma h LEU 88 Cb 0.24 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.03 1pma h LEU 88 CO -0.19 0.89 -0.40 0.58 -0.34 0.00 0.00 178.44 178.97 1pma h VAL 89 N 0.97 0.17 -0.96 1.05 2.07 0.83 -1.46 116.25 118.91 1pma h VAL 89 Ca 0.22 -0.01 0.20 0.00 0.82 0.00 0.00 66.70 67.93 1pma h VAL 89 Cb 0.25 0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 30.11 1pma h VAL 89 CO -0.01 0.00 0.61 0.44 0.02 0.00 0.00 177.57 178.63 1pma h ASP 90 N -1.14 0.60 -0.03 0.57 3.32 -0.74 0.37 116.42 119.37 1pma h ASP 90 Ca -0.12 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1pma h ASP 90 Cb 0.87 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 1pma h ASP 90 CO 0.19 0.22 0.02 0.15 -1.72 0.00 0.00 179.24 178.10 1pma h PHE 91 N 0.59 0.05 -0.82 4.55 3.57 -0.89 -1.26 116.94 122.73 1pma h PHE 91 Ca 0.53 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.11 1pma h PHE 91 Cb 1.05 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.72 1pma h PHE 91 CO -0.00 0.08 0.54 0.00 -2.23 0.00 0.00 178.31 176.69 1pma h ALA 92 N 0.96 1.69 0.47 2.41 0.00 0.71 0.35 119.26 125.86 1pma h ALA 92 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1pma h ALA 92 Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1pma h ALA 92 CO -0.00 0.15 -0.23 0.00 0.00 0.00 0.00 179.25 179.17 1pma h ARG 93 N 0.81 -0.61 -0.47 0.00 3.08 -0.22 -0.31 114.38 116.66 1pma h ARG 93 Ca 0.37 0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.40 1pma h ARG 93 Cb 0.38 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1pma h ARG 93 CO -0.14 -0.34 0.01 -0.84 -1.07 0.00 0.00 179.97 177.58 1pma h ILE 94 N -0.76 1.24 -0.75 2.04 3.07 -0.96 -1.61 117.51 119.78 1pma h ILE 94 Ca -0.06 -0.97 0.02 0.00 1.55 0.00 0.00 64.86 65.39 1pma h ILE 94 Cb 0.54 0.87 -0.04 0.00 -0.27 0.00 0.00 36.82 37.92 1pma h ILE 94 CO 0.11 0.34 0.50 -1.28 -1.05 0.00 0.00 178.15 176.76 1pma h SER 95 N 0.72 0.83 0.22 2.16 0.87 -0.81 -0.34 113.55 117.20 1pma h SER 95 Ca 0.14 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1pma h SER 95 Cb 0.43 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1pma h SER 95 CO 0.02 0.59 -0.10 0.00 -0.53 0.00 0.00 176.83 176.80 1pma h ALA 96 N 1.55 -0.29 -0.47 6.23 0.00 -0.10 -2.86 119.26 123.32 1pma h ALA 96 Ca 0.28 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1pma h ALA 96 Cb -0.05 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 1pma h ALA 96 CO -0.07 -0.60 0.00 1.96 0.00 0.00 0.00 179.25 180.55 1pma h GLN 97 N -0.43 0.11 -0.59 0.00 1.08 -0.86 -1.98 115.11 112.45 1pma h GLN 97 Ca -0.03 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.24 1pma h GLN 97 Cb 0.32 -0.03 -0.10 0.00 -0.05 0.00 0.00 27.48 27.63 1pma h GLN 97 CO 0.05 0.08 -0.51 1.96 -0.95 0.00 0.00 178.83 179.46 1pma h GLN 98 N 0.12 -0.25 -0.95 1.46 4.20 -0.86 0.82 115.11 119.64 1pma h GLN 98 Ca 0.23 0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.06 1pma h GLN 98 Cb 0.34 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.11 1pma h GLN 98 CO -0.39 -0.16 0.61 1.49 -0.67 0.00 0.00 178.83 179.71 1pma h GLU 99 N -0.26 0.96 -0.23 1.46 4.81 -1.20 -0.60 114.58 119.53 1pma h GLU 99 Ca 0.14 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1pma h GLU 99 Cb 0.56 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1pma h GLU 99 CO -0.70 0.63 0.11 0.87 -0.73 0.00 0.00 179.01 179.20 1pma h LYS 100 N 0.99 0.33 -0.03 1.92 1.57 -0.60 -0.97 116.57 119.77 1pma h LYS 100 Ca 0.44 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 59.09 1pma h LYS 100 Cb 0.37 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1pma h LYS 100 CO -0.20 0.33 -0.40 -0.24 -0.57 0.00 0.00 179.45 178.36 1pma h VAL 101 N 0.24 1.30 0.02 0.50 3.04 0.54 0.82 116.25 122.72 1pma h VAL 101 Ca 0.08 -1.43 -0.18 0.00 -1.01 0.00 0.00 66.70 64.16 1pma h VAL 101 Cb 0.10 1.73 -0.02 0.00 -2.01 0.00 0.00 31.29 31.09 1pma h VAL 101 CO -0.01 0.41 -0.96 0.00 -1.01 0.00 0.00 177.57 176.00 1pma h THR 102 N 0.06 1.17 0.00 3.17 1.03 -1.16 -3.39 112.91 113.80 1pma h THR 102 Ca 0.00 -2.27 0.00 0.00 -0.01 0.00 0.00 66.41 64.13 1pma h THR 102 Cb 0.74 2.64 0.00 0.00 -1.07 0.00 0.00 68.15 70.46 1pma h THR 102 CO 0.06 0.48 -0.94 -1.22 -0.01 0.00 0.00 175.52 173.88 1pma n TYR 103 N -4.37 0.38 -0.77 0.00 4.01 -0.38 -4.95 117.16 111.09 1pma n TYR 103 Ca -0.25 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1pma n TYR 103 Cb 0.68 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 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 1.35 0.72 3.65 2.72 0.00 0.29 -4.99 105.19 108.92 1pma n GLY 104 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.39 -0.08 -1.17 1.61 0.15 -1.20 -4.95 113.70 105.67 1pma s SER 105 Ca 0.00 0.14 -0.19 0.00 0.70 0.00 0.00 55.95 56.60 1pma s SER 105 Cb 0.00 0.86 0.09 0.00 -1.71 0.00 0.00 66.02 65.26 1pma s SER 105 CO 0.00 -0.02 1.54 -0.22 1.20 0.00 0.00 173.24 175.74 1pma s LEU 106 N 0.86 4.10 0.10 3.45 2.96 -1.26 -4.70 118.68 124.19 1pma s LEU 106 Ca -0.05 -2.24 -0.16 0.00 -0.22 0.00 0.00 54.13 51.46 1pma s LEU 106 Cb -0.03 -2.53 -0.06 0.00 0.50 0.00 0.00 46.19 44.08 1pma s LEU 106 CO -0.11 -1.17 1.50 1.62 -1.32 0.00 0.00 176.35 176.86 1pma h VAL 107 N 5.76 1.28 -3.45 1.68 3.04 -1.97 -3.43 116.25 119.16 1pma h VAL 107 Ca 0.33 -1.14 -0.58 0.00 -1.01 0.00 0.00 66.70 64.29 1pma h VAL 107 Cb 0.92 1.36 -0.38 0.00 -2.01 0.00 0.00 31.29 31.19 1pma h VAL 107 CO 1.37 0.37 -0.79 0.21 -1.01 0.00 0.00 177.57 177.73 1pma s ASN 108 N -6.24 3.31 0.53 3.17 3.84 -1.26 -1.58 114.94 116.70 1pma s ASN 108 Ca -0.13 -0.91 0.18 0.00 0.21 0.00 0.00 52.86 52.21 1pma s ASN 108 Cb 0.09 -1.02 1.32 0.00 -0.55 0.00 0.00 41.25 41.09 1pma s ASN 108 CO 0.79 -0.21 2.13 -0.29 -2.79 0.00 0.00 177.10 176.72 1pma h ILE 109 N 6.51 0.93 -0.97 -5.21 2.10 -1.96 -2.44 117.51 116.47 1pma h ILE 109 Ca -0.21 0.00 0.15 0.00 1.08 0.00 0.00 64.86 65.87 1pma h ILE 109 Cb 1.10 0.95 -0.08 0.00 -1.09 0.00 0.00 36.82 37.69 1pma h ILE 109 CO 0.41 0.00 0.61 -0.08 -1.08 0.00 0.00 178.15 178.01 1pma h GLU 110 N 0.00 0.80 -0.39 2.19 4.81 -2.00 -0.82 114.58 119.17 1pma h GLU 110 Ca 0.04 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1pma h GLU 110 Cb 0.18 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1pma h GLU 110 CO -0.00 0.53 0.18 -0.97 -0.73 0.00 0.00 179.01 178.02 1pma h ASN 111 N 0.82 0.52 -0.21 1.04 -0.73 -1.87 0.50 115.58 115.66 1pma h ASN 111 Ca 0.50 -0.14 0.05 0.00 1.87 0.00 0.00 56.30 58.59 1pma h ASN 111 Cb 0.69 -0.13 -0.06 0.00 0.27 0.00 0.00 38.32 39.08 1pma h ASN 111 CO -0.27 0.51 -0.15 0.25 -0.37 0.00 0.00 177.43 177.40 1pma h LEU 112 N 0.49 -0.50 -0.81 0.34 5.85 -1.29 0.14 115.31 119.54 1pma h LEU 112 Ca 0.13 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1pma h LEU 112 Cb 0.14 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1pma h LEU 112 CO -0.02 -0.19 0.38 1.62 -0.34 0.00 0.00 178.44 179.89 1pma h VAL 113 N -0.15 1.25 -0.48 1.05 3.04 -1.23 -2.04 116.25 117.70 1pma h VAL 113 Ca 0.12 -0.72 0.06 0.00 -1.01 0.00 0.00 66.70 65.16 1pma h VAL 113 Cb 0.34 0.23 -0.05 0.00 -2.01 0.00 0.00 31.29 29.80 1pma h VAL 113 CO -0.31 0.31 0.17 0.11 -1.01 0.00 0.00 177.57 176.84 1pma h LYS 114 N 1.15 0.34 -0.81 4.17 1.57 0.83 0.20 116.57 124.01 1pma h LYS 114 Ca 0.28 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1pma h LYS 114 Cb 0.13 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1pma h LYS 114 CO -0.03 0.22 0.47 -0.09 -0.57 0.00 0.00 179.45 179.45 1pma h ARG 115 N 0.35 1.11 -0.00 3.15 2.43 -0.13 -0.19 114.38 121.10 1pma h ARG 115 Ca 0.23 -0.11 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 1pma h ARG 115 Cb 0.23 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1pma h ARG 115 CO -0.23 0.79 -0.64 -0.24 -1.51 0.00 0.00 179.97 178.15 1pma h VAL 116 N 1.13 1.45 -0.10 0.20 3.04 -0.71 -2.98 116.25 118.28 1pma h VAL 116 Ca 0.29 -2.17 -0.00 0.00 -1.01 0.00 0.00 66.70 63.80 1pma h VAL 116 Cb -0.02 2.17 -0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1pma h VAL 116 CO -0.05 0.62 0.05 0.00 -1.01 0.00 0.00 177.57 177.18 1pma h ALA 117 N 1.36 0.13 -0.96 3.17 0.00 0.10 -2.81 119.26 120.26 1pma h ALA 117 Ca -0.01 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1pma h ALA 117 Cb 1.13 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 1pma h ALA 117 CO 0.08 -0.31 0.62 -0.44 0.00 0.00 0.00 179.25 179.20 1pma h ASP 118 N 0.05 0.96 -0.06 0.00 5.19 -1.09 -0.03 116.42 121.45 1pma h ASP 118 Ca 0.04 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.50 1pma h ASP 118 Cb 0.10 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 39.36 1pma h ASP 118 CO -0.00 0.60 -0.33 -0.61 -3.12 0.00 0.00 179.24 175.78 1pma h GLN 119 N 1.09 -0.43 -0.10 3.56 -0.00 -1.35 0.60 115.11 118.48 1pma h GLN 119 Ca 0.42 0.03 0.01 0.00 -0.00 0.00 0.00 58.65 59.11 1pma h GLN 119 Cb 0.23 0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.79 1pma h GLN 119 CO -0.17 -0.29 0.01 0.52 0.00 0.00 0.00 178.83 178.90 1pma h MET 120 N -0.45 0.05 -0.93 1.69 2.86 -1.16 -1.83 114.93 115.17 1pma h MET 120 Ca 0.08 -0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.91 1pma h MET 120 Cb 0.56 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.14 1pma h MET 120 CO -0.31 0.03 0.61 0.37 1.06 0.00 0.00 176.91 178.67 1pma h GLN 121 N 0.05 0.46 -0.21 1.72 -0.00 -0.25 -0.98 115.11 115.91 1pma h GLN 121 Ca 0.04 -0.03 0.04 0.00 -0.00 0.00 0.00 58.65 58.71 1pma h GLN 121 Cb 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 27.48 27.37 1pma h GLN 121 CO -0.06 0.30 -0.06 1.96 0.00 0.00 0.00 178.83 180.97 1pma h GLN 122 N 0.47 -0.01 0.00 1.69 4.20 -0.01 0.32 115.11 121.77 1pma h GLN 122 Ca 0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.20 1pma h GLN 122 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1pma h GLN 122 CO -0.21 -0.01 0.00 0.66 -0.67 0.00 0.00 178.83 178.60 1pma n TYR 123 N -5.21 0.17 0.23 2.96 4.02 -0.38 -0.77 117.16 118.18 1pma n TYR 123 Ca -0.02 0.08 0.12 0.00 -0.01 0.00 0.00 57.90 58.08 1pma n TYR 123 Cb 0.14 -0.64 0.37 0.00 -0.02 0.00 0.00 39.34 39.19 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 0.18 0.00 -0.72 2.02 -0.83 -3.38 112.91 110.17 1pma h THR 124 Ca 0.00 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1pma h THR 124 Cb 0.06 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1pma h THR 124 CO 0.00 0.09 -0.39 0.00 0.37 0.00 0.00 175.52 175.58 1pma n GLN 125 N -3.16 3.34 -0.96 6.66 10.64 0.05 -4.90 117.38 129.06 1pma n GLN 125 Ca 0.02 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 54.93 1pma n GLN 125 Cb 0.46 -0.67 -0.04 0.00 -0.86 0.00 0.00 30.24 29.13 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 -0.64 1.50 0.00 2.61 4.01 -0.57 -4.95 117.16 119.13 1pma n TYR 126 Ca 0.00 -2.23 0.00 0.00 -0.16 0.00 0.00 57.90 55.51 1pma n TYR 126 Cb 0.00 -1.91 0.00 0.00 -0.31 0.00 0.00 39.34 37.12 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 3.48 2.39 2.84 2.72 0.00 -1.26 -4.33 105.19 111.03 1pma n GLY 127 Ca 0.55 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.65 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 0.49 3.64 -0.02 0.00 -1.26 -4.61 105.19 103.43 1pma n GLY 128 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 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 3.09 0.00 0.09 1.61 0.11 -1.26 -5.16 120.40 118.88 1pma s VAL 129 Ca 0.08 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.85 1pma s VAL 129 Cb 0.02 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.81 1pma s VAL 129 CO 0.04 0.00 0.87 -0.60 -3.33 0.00 0.00 175.10 172.08 1pma s ARG 130 N 0.47 4.62 0.71 1.54 3.52 -1.26 -4.89 118.95 123.66 1pma s ARG 130 Ca 0.01 1.28 -0.16 0.00 -0.13 0.00 0.00 55.73 56.73 1pma s ARG 130 Cb -0.05 -3.36 0.03 0.00 -1.56 0.00 0.00 34.95 30.01 1pma s ARG 130 CO -0.10 0.28 1.23 -2.14 -0.81 0.00 0.00 175.30 173.77 1pma s PRO 131 N -0.17 2.21 -0.27 5.12 0.02 -1.26 -4.93 135.00 135.72 1pma s PRO 131 Ca 0.42 1.86 -0.29 0.00 0.02 0.00 0.00 61.00 63.01 1pma s PRO 131 Cb -0.22 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.46 1pma s PRO 131 CO 0.27 -1.81 1.43 0.71 -0.33 0.00 0.00 177.00 177.27 1pma s TYR 132 N -1.81 2.45 -1.28 6.54 2.02 -1.26 -4.91 117.35 119.11 1pma s TYR 132 Ca 0.77 0.74 -0.15 0.00 -0.37 0.00 0.00 57.07 58.06 1pma s TYR 132 Cb -0.32 -3.94 0.12 0.00 -0.40 0.00 0.00 41.96 37.42 1pma s TYR 132 CO 0.44 -2.21 1.67 0.41 -1.57 0.00 0.00 175.55 174.29 1pma n GLY 133 N 4.45 3.31 3.57 0.71 0.00 -1.26 -4.54 105.19 111.44 1pma n GLY 133 Ca 0.16 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 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 2.60 0.00 0.05 1.61 0.11 -1.26 -0.76 120.40 122.74 1pma s VAL 134 Ca 0.47 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.56 1pma s VAL 134 Cb 0.03 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 1pma s VAL 134 CO 0.02 0.00 -0.13 -0.44 -3.33 0.00 0.00 175.10 171.23 1pma s SER 135 N -1.20 1.48 0.13 3.54 0.01 -0.11 -3.15 113.70 114.40 1pma s SER 135 Ca -0.01 -0.49 -0.11 0.00 1.31 0.00 0.00 55.95 56.65 1pma s SER 135 Cb -0.00 -0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.17 1pma s SER 135 CO 0.01 -0.03 0.31 -1.48 0.41 0.00 0.00 173.24 172.46 1pma s LEU 136 N -1.29 0.89 0.02 2.44 0.05 -0.26 -0.35 118.68 120.16 1pma s LEU 136 Ca -0.01 -0.62 0.05 0.00 0.05 0.00 0.00 54.13 53.60 1pma s LEU 136 Cb -0.08 1.40 -0.02 0.00 -2.05 0.00 0.00 46.19 45.44 1pma s LEU 136 CO 0.01 -0.85 -0.15 0.27 -0.55 0.00 0.00 176.35 175.09 1pma s ILE 137 N -3.88 1.18 0.03 1.48 -4.36 -0.34 0.29 121.20 115.59 1pma s ILE 137 Ca 0.09 -0.85 0.07 0.00 -0.26 0.00 0.00 60.65 59.69 1pma s ILE 137 Cb 0.03 -1.03 -0.03 0.00 1.25 0.00 0.00 42.46 42.68 1pma s ILE 137 CO -0.07 0.16 -0.17 -0.36 0.24 0.00 0.00 174.94 174.74 1pma s PHE 138 N -0.62 2.58 -0.04 1.37 0.40 0.27 -1.71 117.98 120.23 1pma s PHE 138 Ca 0.04 -0.24 -0.16 0.00 -0.60 0.00 0.00 56.93 55.97 1pma s PHE 138 Cb -0.07 -1.49 0.03 0.00 0.51 0.00 0.00 43.02 42.00 1pma s PHE 138 CO 0.01 0.24 0.35 0.00 0.70 0.00 0.00 175.22 176.52 1pma s ALA 139 N -0.90 -0.89 0.00 5.36 0.00 -0.48 -0.97 121.76 123.88 1pma s ALA 139 Ca 0.14 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1pma s ALA 139 Cb -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1pma s ALA 139 CO 0.05 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1pma n GLY 140 N 1.60 -0.64 3.33 0.00 0.00 -0.51 -1.62 105.19 107.35 1pma n GLY 140 Ca -0.20 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.00 3.20 0.00 -0.61 -1.16 -1.11 0.51 121.20 120.02 1pma s ILE 141 Ca 0.00 -0.58 0.00 0.00 -0.51 0.00 0.00 60.65 59.56 1pma s ILE 141 Cb 0.00 -2.41 0.00 0.00 0.61 0.00 0.00 42.46 40.66 1pma s ILE 141 CO 0.00 0.47 0.00 -0.90 -2.81 0.00 0.00 174.94 171.70 1pma n ASP 142 N 4.24 1.13 0.23 4.50 3.85 -0.57 -4.89 116.55 125.04 1pma n ASP 142 Ca -0.18 -0.14 0.06 0.00 -0.71 0.00 0.00 54.79 53.81 1pma n ASP 142 Cb 0.52 0.00 0.54 0.00 -1.35 0.00 0.00 41.12 40.82 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 0.00 0.07 0.11 5.75 -1.56 -2.37 115.11 117.12 1pma h GLN 143 Ca 0.00 -0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.26 1pma h GLN 143 Cb 0.00 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1pma h GLN 143 CO 0.00 0.14 -1.10 0.82 -2.65 0.00 0.00 178.83 176.04 1pma h ILE 144 N 0.00 1.55 0.00 2.39 2.04 -1.95 -3.51 117.51 118.03 1pma h ILE 144 Ca -0.00 -3.04 0.00 0.00 1.00 0.00 0.00 64.86 62.81 1pma h ILE 144 Cb 0.24 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1pma h ILE 144 CO 0.02 0.88 0.00 0.61 0.00 0.00 0.00 178.15 179.66 1pma n GLY 145 N 1.34 0.68 3.73 5.37 0.00 -0.89 -5.09 105.19 110.34 1pma n GLY 145 Ca -0.05 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 4.22 0.04 1.61 0.02 -1.26 -1.51 135.00 136.12 1pma s PRO 146 Ca 0.00 2.37 0.04 0.00 0.02 0.00 0.00 61.00 63.43 1pma s PRO 146 Cb 0.00 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.38 1pma s PRO 146 CO 0.00 -0.53 -0.12 1.03 -0.33 0.00 0.00 177.00 177.04 1pma s ARG 147 N 0.27 0.83 -0.08 5.54 0.52 0.18 -4.93 118.95 121.28 1pma s ARG 147 Ca 0.65 -0.72 -0.03 0.00 -0.52 0.00 0.00 55.73 55.10 1pma s ARG 147 Cb -0.44 -0.80 0.04 0.00 0.52 0.00 0.00 34.95 34.28 1pma s ARG 147 CO 0.39 0.19 0.08 -1.17 0.02 0.00 0.00 175.30 174.81 1pma s LEU 148 N -1.15 0.16 0.12 2.53 2.96 -1.26 -1.43 118.68 120.60 1pma s LEU 148 Ca -0.00 -0.06 0.05 0.00 -0.22 0.00 0.00 54.13 53.90 1pma s LEU 148 Cb -0.08 -0.11 -0.04 0.00 0.50 0.00 0.00 46.19 46.47 1pma s LEU 148 CO 0.01 -0.27 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.29 1pma s PHE 149 N 2.18 1.26 0.16 5.38 0.40 -0.14 -1.11 117.98 126.11 1pma s PHE 149 Ca 0.04 -0.64 0.07 0.00 -0.60 0.00 0.00 56.93 55.80 1pma s PHE 149 Cb -0.13 -0.66 -0.04 0.00 0.51 0.00 0.00 43.02 42.70 1pma s PHE 149 CO -0.05 0.09 -0.14 0.16 0.70 0.00 0.00 175.22 175.98 1pma s ASP 150 N -2.64 2.25 -0.14 1.36 -4.77 -0.83 -0.57 116.67 111.33 1pma s ASP 150 Ca 0.10 -0.92 -0.11 0.00 -3.30 0.00 0.00 52.55 48.32 1pma s ASP 150 Cb -0.02 -0.09 0.04 0.00 -1.09 0.00 0.00 42.92 41.76 1pma s ASP 150 CO 0.02 -0.17 0.36 0.00 0.70 0.00 0.00 175.17 176.08 1pma s ASP 152 N 0.70 4.77 0.55 0.00 -4.77 -0.90 -1.11 116.67 115.92 1pma s ASP 152 Ca -0.04 -1.12 0.24 0.00 -3.30 0.00 0.00 52.55 48.32 1pma s ASP 152 Cb -0.05 0.37 1.48 0.00 -1.09 0.00 0.00 42.92 43.63 1pma s ASP 152 CO -0.05 -1.17 2.12 -0.65 0.70 0.00 0.00 175.17 176.12 1pma h PRO 153 N 0.58 0.00 0.00 2.11 0.11 -1.78 -0.40 132.00 132.62 1pma h PRO 153 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1pma h PRO 153 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1pma h PRO 153 CO 0.52 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.31 1pma n ALA 154 N -2.47 2.00 -0.45 -0.75 0.00 -1.26 -4.67 120.51 112.90 1pma n ALA 154 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1pma n ALA 154 Cb 0.27 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1pma n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pma n GLY 155 N 0.72 0.76 3.73 0.00 0.00 -0.16 -4.45 105.19 105.80 1pma n GLY 155 Ca 0.04 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 4.44 -0.01 2.61 2.01 -1.26 -4.77 115.64 116.67 1pma s THR 156 Ca 0.00 2.03 0.01 0.00 0.31 0.00 0.00 61.69 64.04 1pma s THR 156 Cb 0.00 -4.30 -0.00 0.00 0.01 0.00 0.00 72.50 68.20 1pma s THR 156 CO 0.00 0.36 -0.04 -0.51 -0.69 0.00 0.00 174.62 173.74 1pma s ILE 157 N -0.23 0.29 0.03 1.82 2.07 -1.26 -2.12 121.20 121.81 1pma s ILE 157 Ca 0.45 -0.14 -0.07 0.00 -1.41 0.00 0.00 60.65 59.48 1pma s ILE 157 Cb -0.24 -0.26 -0.00 0.00 0.13 0.00 0.00 42.46 42.09 1pma s ILE 157 CO 0.30 0.09 0.14 0.20 -1.91 0.00 0.00 174.94 173.75 1pma s ASN 158 N 0.01 0.11 -0.17 4.50 -0.87 -1.09 -4.98 114.94 112.44 1pma s ASN 158 Ca 0.00 -0.43 -0.08 0.00 -1.57 0.00 0.00 52.86 50.78 1pma s ASN 158 Cb -0.03 0.25 -0.04 0.00 -0.02 0.00 0.00 41.25 41.41 1pma s ASN 158 CO -0.00 -0.51 0.11 -0.70 -2.57 0.00 0.00 177.10 173.43 1pma s GLU 159 N -2.43 3.88 0.45 -0.60 2.12 -1.26 -1.97 118.70 118.89 1pma s GLU 159 Ca -0.06 -0.24 0.04 0.00 0.36 0.00 0.00 54.97 55.07 1pma s GLU 159 Cb -0.02 -3.27 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 1pma s GLU 159 CO -0.04 0.43 0.01 0.71 -0.54 0.00 0.00 175.26 175.83 1pma s TYR 160 N -0.04 2.22 -0.18 5.30 1.51 -0.27 -5.00 117.35 120.89 1pma s TYR 160 Ca 0.09 -0.81 0.16 0.00 -1.01 0.00 0.00 57.07 55.50 1pma s TYR 160 Cb -0.12 -1.69 -0.24 0.00 -0.11 0.00 0.00 41.96 39.80 1pma s TYR 160 CO 0.00 0.33 0.16 1.17 -1.11 0.00 0.00 175.55 176.11 1pma n LYS 161 N -1.08 0.68 -3.58 -0.62 3.00 -1.26 -4.49 118.16 110.80 1pma n LYS 161 Ca -0.11 0.05 -0.09 0.00 -0.00 0.00 0.00 58.31 58.17 1pma n LYS 161 Cb 0.67 -1.57 -0.05 0.00 0.00 0.00 0.00 35.03 34.09 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 -2.51 -1.96 -0.01 3.14 0.00 -1.26 -0.71 121.76 118.45 1pma s ALA 162 Ca -0.10 1.59 -0.30 0.00 0.00 0.00 0.00 51.96 53.15 1pma s ALA 162 Cb 0.06 -0.72 0.11 0.00 0.00 0.00 0.00 23.12 22.58 1pma s ALA 162 CO 0.82 -0.34 1.27 -0.08 0.00 0.00 0.00 175.76 177.43 1pma s THR 163 N -1.33 0.00 0.32 0.00 -1.32 -0.48 -5.00 115.64 107.83 1pma s THR 163 Ca 0.01 -0.24 0.06 0.00 -1.21 0.00 0.00 61.69 60.32 1pma s THR 163 Cb -0.01 -2.16 -0.02 0.00 -1.51 0.00 0.00 72.50 68.80 1pma s THR 163 CO -0.01 0.00 0.30 0.00 -2.21 0.00 0.00 174.62 172.69 1pma n ALA 164 N -0.55 0.58 -3.63 11.08 0.00 -1.26 -0.50 120.51 126.23 1pma n ALA 164 Ca -0.07 -1.85 -0.07 0.00 0.00 0.00 0.00 53.44 51.45 1pma n ALA 164 Cb 0.62 1.50 -0.02 0.00 0.00 0.00 0.00 19.45 21.55 1pma n ALA 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1pma s ILE 165 N -3.25 0.00 0.00 0.00 1.10 0.34 -4.92 121.20 114.47 1pma s ILE 165 Ca 0.37 -0.39 0.00 0.00 -0.51 0.00 0.00 60.65 60.13 1pma s ILE 165 Cb 0.02 -1.49 0.00 0.00 0.15 0.00 0.00 42.46 41.13 1pma s ILE 165 CO 0.26 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.70 1pma n GLY 166 N -0.38 -1.30 0.14 1.50 0.00 -1.25 -0.11 105.19 103.78 1pma n GLY 166 Ca -0.09 -1.90 -0.05 0.00 0.00 0.00 0.00 46.02 43.98 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 0.18 -0.41 -0.13 1.61 0.87 -0.94 -3.09 113.55 111.63 1pma h SER 167 Ca 0.00 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.50 1pma h SER 167 Cb 0.00 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 1pma h SER 167 CO 0.00 -0.18 0.07 0.61 -0.53 0.00 0.00 176.83 176.80 1pma n GLY 168 N -1.15 2.95 0.32 5.77 0.00 -1.26 -4.59 105.19 107.22 1pma n GLY 168 Ca -0.03 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 1.31 -0.79 -0.77 1.61 3.64 -1.79 -2.50 116.57 117.28 1pma h LYS 169 Ca 0.09 0.05 0.18 0.00 -1.27 0.00 0.00 60.65 59.70 1pma h LYS 169 Cb 1.01 0.18 -0.13 0.00 -0.41 0.00 0.00 32.23 32.88 1pma h LYS 169 CO 0.21 -0.53 0.03 -0.44 -2.27 0.00 0.00 179.45 176.45 1pma h ASP 170 N -0.82 -0.31 0.58 4.20 3.32 -1.88 0.30 116.42 121.81 1pma h ASP 170 Ca -0.08 0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1pma h ASP 170 Cb 0.63 0.34 0.01 0.00 0.22 0.00 0.00 39.33 40.52 1pma h ASP 170 CO 0.13 -0.18 -0.28 0.00 -1.72 0.00 0.00 179.24 177.20 1pma h ALA 171 N 1.72 -1.21 -0.67 3.45 0.00 -1.91 -2.00 119.26 118.65 1pma h ALA 171 Ca 0.43 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1pma h ALA 171 Cb 0.77 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1pma h ALA 171 CO -0.67 -1.15 0.44 -0.24 0.00 0.00 0.00 179.25 177.63 1pma h VAL 172 N -0.78 1.17 -0.85 0.00 3.04 -1.09 -1.06 116.25 116.68 1pma h VAL 172 Ca -0.08 -0.33 0.02 0.00 -1.01 0.00 0.00 66.70 65.30 1pma h VAL 172 Cb 0.60 0.19 -0.04 0.00 -2.01 0.00 0.00 31.29 30.03 1pma h VAL 172 CO 0.13 0.17 0.56 1.62 -1.01 0.00 0.00 177.57 179.04 1pma h VAL 173 N 0.91 1.20 0.49 1.51 3.04 -0.39 -1.95 116.25 121.06 1pma h VAL 173 Ca 0.24 -0.39 -0.02 0.00 -1.01 0.00 0.00 66.70 65.52 1pma h VAL 173 Cb -0.10 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.16 1pma h VAL 173 CO -0.05 0.21 -0.23 0.28 -1.01 0.00 0.00 177.57 176.76 1pma h SER 174 N 1.13 -0.55 -0.86 3.17 0.02 -0.43 0.22 113.55 116.24 1pma h SER 174 Ca 0.32 -0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.36 1pma h SER 174 Cb -0.09 0.14 -0.13 0.00 0.14 0.00 0.00 62.40 62.46 1pma h SER 174 CO -0.08 -0.33 -0.48 0.15 -1.14 0.00 0.00 176.83 174.95 1pma h PHE 175 N -0.74 -1.45 -0.07 3.45 3.04 -0.91 0.49 116.94 120.75 1pma h PHE 175 Ca -0.07 0.11 0.02 0.00 3.98 0.00 0.00 57.97 62.01 1pma h PHE 175 Cb 0.54 0.75 -0.02 0.00 2.56 0.00 0.00 35.95 39.79 1pma h PHE 175 CO -0.02 -0.40 -0.04 -0.07 -2.02 0.00 0.00 178.31 175.75 1pma h LEU 176 N -0.08 -0.14 -1.76 0.59 -0.00 -1.15 0.39 115.31 113.16 1pma h LEU 176 Ca 0.23 0.03 0.35 0.00 -0.00 0.00 0.00 57.88 58.49 1pma h LEU 176 Cb 0.52 0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 41.21 1pma h LEU 176 CO -0.88 -0.06 1.00 -0.08 -0.00 0.00 0.00 178.44 178.43 1pma h GLU 177 N -0.04 0.00 0.00 1.13 4.57 0.33 0.43 114.58 120.99 1pma h GLU 177 Ca 0.04 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1pma h GLU 177 Cb 0.11 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1pma h GLU 177 CO -0.10 0.00 -1.03 -2.13 -1.18 0.00 0.00 179.01 174.58 1pma n ARG 178 N -3.81 0.53 -0.72 1.92 0.63 0.03 -4.71 116.66 110.52 1pma n ARG 178 Ca 0.26 0.24 0.06 0.00 -0.92 0.00 0.00 57.85 57.49 1pma n ARG 178 Cb 1.39 -1.45 0.33 0.00 0.45 0.00 0.00 32.46 33.17 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 -4.46 4.13 -2.41 -0.14 1.02 0.12 -4.95 120.64 113.96 1pma n GLU 179 Ca -0.15 -2.58 -0.42 0.00 -0.02 0.00 0.00 57.16 53.99 1pma n GLU 179 Cb 0.52 -2.10 -0.03 0.00 -0.02 0.00 0.00 31.44 29.81 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 -2.39 3.28 -0.28 -0.32 5.04 0.15 -4.92 117.35 117.90 1pma s TYR 180 Ca 0.45 1.21 -0.08 0.00 -2.44 0.00 0.00 57.07 56.21 1pma s TYR 180 Cb 0.34 -3.45 -0.01 0.00 0.35 0.00 0.00 41.96 39.18 1pma s TYR 180 CO 0.14 -1.45 0.10 0.21 -1.34 0.00 0.00 175.55 173.20 1pma s LYS 181 N 1.63 3.39 0.00 4.97 2.47 -1.26 -5.04 119.74 125.90 1pma s LYS 181 Ca 0.58 -0.66 0.00 0.00 -1.56 0.00 0.00 55.97 54.33 1pma s LYS 181 Cb -0.28 -3.41 0.00 0.00 -1.46 0.00 0.00 37.83 32.68 1pma s LYS 181 CO 0.26 -0.33 0.08 -1.91 0.16 0.00 0.00 175.35 173.61 1pma n GLU 182 N 4.92 0.00 -1.42 4.03 4.07 -1.26 -2.97 120.64 128.02 1pma n GLU 182 Ca -0.15 0.08 -0.32 0.00 -0.06 0.00 0.00 57.16 56.71 1pma n GLU 182 Cb 0.50 -0.36 0.04 0.00 -0.06 0.00 0.00 31.44 31.56 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 -0.21 7.27 -4.69 4.31 5.03 -1.26 -4.60 115.26 121.10 1pma n ASN 183 Ca 0.00 -3.59 -0.44 0.00 0.87 0.00 0.00 54.58 51.42 1pma n ASN 183 Cb 0.00 -1.05 -0.04 0.00 -1.02 0.00 0.00 39.78 37.67 1pma n ASN 183 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1pma n LEU 184 N -0.34 3.66 -4.76 3.41 7.94 -1.16 -3.90 117.00 121.85 1pma n LEU 184 Ca 0.53 1.04 -0.37 0.00 -1.11 0.00 0.00 56.01 56.10 1pma n LEU 184 Cb 0.52 -1.50 0.02 0.00 0.53 0.00 0.00 43.42 42.98 1pma n LEU 184 CO 0.58 0.00 0.87 -2.84 -1.11 0.00 0.00 177.39 174.89 1pma s PRO 185 N 1.69 3.36 0.00 1.96 0.02 -1.26 -0.32 135.00 140.45 1pma s PRO 185 Ca 0.79 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.71 1pma s PRO 185 Cb -0.57 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 31.74 1pma s PRO 185 CO 0.37 -0.91 0.53 -1.91 -0.33 0.00 0.00 177.00 174.74 1pma n GLU 186 N -0.98 0.00 -0.32 5.54 2.13 -1.26 -1.11 120.64 124.64 1pma n GLU 186 Ca 0.10 0.53 0.11 0.00 0.66 0.00 0.00 57.16 58.56 1pma n GLU 186 Cb 0.48 -0.81 0.24 0.00 0.27 0.00 0.00 31.44 31.63 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 0.05 0.01 5.31 3.64 -2.00 0.32 116.57 123.90 1pma h LYS 187 Ca 0.00 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 1pma h LYS 187 Cb 0.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1pma h LYS 187 CO 0.00 0.03 -0.93 0.93 -2.27 0.00 0.00 179.45 177.22 1pma h GLU 188 N 0.05 0.26 0.10 1.90 5.08 -1.60 -2.68 114.58 117.68 1pma h GLU 188 Ca 0.54 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1pma h GLU 188 Cb 1.04 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1pma h GLU 188 CO -0.84 1.02 -0.08 0.00 -1.00 0.00 0.00 179.01 178.10 1pma h ALA 189 N 0.88 -0.17 -0.57 3.43 0.00 0.11 0.30 119.26 123.24 1pma h ALA 189 Ca -0.06 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1pma h ALA 189 Cb 1.57 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 1pma h ALA 189 CO 0.15 -0.61 0.38 -0.24 0.00 0.00 0.00 179.25 178.92 1pma h VAL 190 N -0.19 1.12 0.63 0.00 3.04 -0.93 -0.53 116.25 119.38 1pma h VAL 190 Ca 0.00 -0.25 -0.03 0.00 -1.01 0.00 0.00 66.70 65.41 1pma h VAL 190 Cb 0.18 0.32 0.01 0.00 -2.01 0.00 0.00 31.29 29.79 1pma h VAL 190 CO -0.02 0.13 -0.30 0.74 -1.01 0.00 0.00 177.57 177.12 1pma h THR 191 N 0.73 0.30 -0.87 3.17 2.02 -0.89 0.35 112.91 117.72 1pma h THR 191 Ca 0.21 -0.23 0.18 0.00 0.77 0.00 0.00 66.41 67.34 1pma h THR 191 Cb -0.04 0.37 -0.11 0.00 -1.74 0.00 0.00 68.15 66.64 1pma h THR 191 CO -0.05 0.03 0.43 0.25 0.37 0.00 0.00 175.52 176.54 1pma h LEU 192 N -1.01 0.46 0.94 2.58 5.85 -0.10 0.55 115.31 124.59 1pma h LEU 192 Ca -0.09 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1pma h LEU 192 Cb 0.69 0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.78 1pma h LEU 192 CO 0.14 0.14 -0.45 1.23 -0.34 0.00 0.00 178.44 179.16 1pma h GLY 193 N 0.54 -1.32 1.44 3.75 0.00 -0.84 0.12 103.07 106.76 1pma h GLY 193 Ca 0.51 0.49 0.06 0.00 0.00 0.00 0.00 47.33 48.38 1pma h GLY 193 CO -0.43 -0.48 0.25 1.19 0.00 0.00 0.00 176.54 177.07 1pma h ILE 194 N -1.32 0.95 0.11 2.60 2.10 -0.36 0.44 117.51 122.04 1pma h ILE 194 Ca -0.13 -0.09 -0.01 0.00 1.08 0.00 0.00 64.86 65.72 1pma h ILE 194 Cb 0.97 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.37 1pma h ILE 194 CO 0.21 0.05 -0.05 0.50 -1.08 0.00 0.00 178.15 177.78 1pma h LYS 195 N 0.26 -0.15 -0.72 2.19 3.64 -0.72 0.20 116.57 121.28 1pma h LYS 195 Ca 0.16 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1pma h LYS 195 Cb 0.31 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 1pma h LYS 195 CO -0.03 0.17 0.40 0.00 -2.27 0.00 0.00 179.45 177.72 1pma h ALA 196 N 0.36 0.98 -0.30 5.00 0.00 0.12 -0.05 119.26 125.37 1pma h ALA 196 Ca -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1pma h ALA 196 Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1pma h ALA 196 CO 0.03 0.05 0.11 1.25 0.00 0.00 0.00 179.25 180.69 1pma h LEU 197 N 0.71 0.42 0.00 0.00 5.85 -0.09 -3.02 115.31 119.19 1pma h LEU 197 Ca 0.33 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1pma h LEU 197 Cb 0.26 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1pma h LEU 197 CO -0.21 0.49 0.00 1.17 -0.34 0.00 0.00 178.44 179.54 1pma n LYS 198 N -4.72 0.00 -0.10 1.25 4.81 0.70 -3.03 118.16 117.08 1pma n LYS 198 Ca -0.02 0.58 -0.03 0.00 -0.87 0.00 0.00 58.31 57.97 1pma n LYS 198 Cb 0.14 -1.35 -0.02 0.00 0.02 0.00 0.00 35.03 33.82 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 -1.94 -0.25 0.00 3.14 3.41 -0.18 0.34 113.62 118.15 1pma n SER 199 Ca 0.00 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 1pma n SER 199 Cb 0.00 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 -3.48 0.00 0.19 4.04 2.88 -1.14 -2.14 113.62 113.97 1pma n SER 200 Ca 0.00 0.20 0.14 0.00 -1.33 0.00 0.00 58.87 57.89 1pma n SER 200 Cb 0.06 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.15 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 -3.54 2.46 7.12 -1.46 -3.32 115.31 116.56 1pma h LEU 201 Ca 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 1pma h LEU 201 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 1pma h LEU 201 CO 0.00 0.00 -0.01 -0.62 -0.13 0.00 0.00 178.44 177.68 1pma n GLU 202 N -2.50 0.75 0.08 1.25 4.71 0.15 -3.15 120.64 121.93 1pma n GLU 202 Ca 0.01 -0.11 -0.09 0.00 -0.01 0.00 0.00 57.16 56.95 1pma n GLU 202 Cb 0.19 -1.30 -0.05 0.00 -1.01 0.00 0.00 31.44 29.28 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 2.45 0.16 -1.16 3.49 4.22 -1.73 -3.13 114.58 118.88 1pma h GLU 203 Ca 0.02 -0.20 -0.28 0.00 0.08 0.00 0.00 59.36 58.98 1pma h GLU 203 Cb 0.70 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.86 1pma h GLU 203 CO 0.06 0.99 0.35 0.41 -2.18 0.00 0.00 179.01 178.65 1pma n GLY 204 N 1.06 3.50 5.22 1.92 0.00 -1.19 -4.96 105.19 110.73 1pma n GLY 204 Ca -0.04 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.11 0.00 -1.90 1.61 4.07 -1.19 -4.79 120.64 118.33 1pma n GLU 205 Ca 0.30 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.97 1pma n GLU 205 Cb 0.92 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.28 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 4.17 0.28 5.31 2.12 -1.26 -4.86 118.70 124.46 1pma s GLU 206 Ca 0.00 2.32 0.26 0.00 0.36 0.00 0.00 54.97 57.91 1pma s GLU 206 Cb 0.00 -4.01 0.82 0.00 0.26 0.00 0.00 34.13 31.20 1pma s GLU 206 CO 0.00 -0.87 1.75 1.25 -0.54 0.00 0.00 175.26 176.85 1pma h LEU 207 N 10.21 0.00 0.00 2.70 5.85 -1.97 -3.48 115.31 128.62 1pma h LEU 207 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1pma h LEU 207 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1pma h LEU 207 CO 0.95 0.00 0.00 1.17 -0.34 0.00 0.00 178.44 180.22 1pma n LYS 208 N -2.44 0.00 -3.83 1.25 3.00 -1.26 -4.42 118.16 110.47 1pma n LYS 208 Ca 0.04 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.99 1pma n LYS 208 Cb 0.39 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.29 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 -2.00 2.93 0.55 3.14 0.00 -1.26 -5.07 121.76 120.06 1pma s ALA 209 Ca 0.00 -1.76 -0.16 0.00 0.00 0.00 0.00 51.96 50.04 1pma s ALA 209 Cb 0.00 -2.11 -0.06 0.00 0.00 0.00 0.00 23.12 20.95 1pma s ALA 209 CO 0.00 -1.31 1.02 -2.14 0.00 0.00 0.00 175.76 173.33 1pma s PRO 210 N 1.33 3.64 -0.23 0.00 0.02 -1.26 -2.80 135.00 135.71 1pma s PRO 210 Ca -0.03 1.08 -0.06 0.00 0.02 0.00 0.00 61.00 62.01 1pma s PRO 210 Cb -0.20 -2.09 -0.02 0.00 0.02 0.00 0.00 34.50 32.21 1pma s PRO 210 CO 0.01 -0.53 0.03 -2.00 -0.33 0.00 0.00 177.00 174.17 1pma s GLU 211 N -4.06 3.61 0.02 5.54 2.12 0.10 -4.81 118.70 121.22 1pma s GLU 211 Ca 0.61 -0.51 0.02 0.00 0.36 0.00 0.00 54.97 55.45 1pma s GLU 211 Cb -0.13 -3.19 -0.01 0.00 0.26 0.00 0.00 34.13 31.06 1pma s GLU 211 CO 0.34 -0.10 -0.07 -1.50 -0.54 0.00 0.00 175.26 173.39 1pma s ILE 212 N 1.34 0.50 0.02 -3.70 2.07 -1.26 -0.34 121.20 119.83 1pma s ILE 212 Ca 0.05 -0.62 -0.12 0.00 -1.41 0.00 0.00 60.65 58.55 1pma s ILE 212 Cb -0.15 -0.49 0.01 0.00 0.13 0.00 0.00 42.46 41.97 1pma s ILE 212 CO 0.02 -0.10 0.25 0.00 -1.91 0.00 0.00 174.94 173.20 1pma s ALA 213 N -0.68 -0.56 0.01 1.50 0.00 -0.51 -1.05 121.76 120.47 1pma s ALA 213 Ca -0.03 -0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 1pma s ALA 213 Cb -0.06 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.32 1pma s ALA 213 CO 0.00 -0.33 0.43 -1.54 0.00 0.00 0.00 175.76 174.32 1pma s SER 214 N -1.80 -0.33 0.06 0.00 1.04 0.17 -0.91 113.70 111.93 1pma s SER 214 Ca -0.08 0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.54 1pma s SER 214 Cb -0.03 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 1pma s SER 214 CO -0.01 -0.58 -0.07 -0.51 0.98 0.00 0.00 173.24 173.05 1pma s ILE 215 N -1.82 0.57 0.05 -1.02 2.07 -0.80 -0.15 121.20 120.10 1pma s ILE 215 Ca -0.09 -1.39 0.04 0.00 -1.41 0.00 0.00 60.65 57.80 1pma s ILE 215 Cb -0.02 -0.99 -0.02 0.00 0.13 0.00 0.00 42.46 41.55 1pma s ILE 215 CO 0.02 -0.57 -0.12 0.28 -1.91 0.00 0.00 174.94 172.64 1pma s THR 216 N -2.23 0.93 0.28 4.00 -1.32 -1.26 -1.48 115.64 114.56 1pma s THR 216 Ca -0.02 -1.10 -0.28 0.00 -1.21 0.00 0.00 61.69 59.07 1pma s THR 216 Cb -0.04 -0.90 -0.14 0.00 -1.51 0.00 0.00 72.50 69.91 1pma s THR 216 CO -0.02 -0.18 1.00 0.55 -2.21 0.00 0.00 174.62 173.76 1pma n VAL 217 N 1.59 1.94 0.00 5.08 3.14 0.92 -2.12 118.33 128.88 1pma n VAL 217 Ca -0.20 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.69 1pma n VAL 217 Cb 0.55 -0.95 0.00 0.00 -1.06 0.00 0.00 33.84 32.38 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 1.30 2.97 2.11 7.55 0.00 -1.26 -5.00 105.19 112.86 1pma n GLY 218 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.22 -4.85 1.61 6.94 -0.90 -5.17 115.26 111.66 1pma n ASN 219 Ca 0.00 -1.94 -0.31 0.00 -0.02 0.00 0.00 54.58 52.31 1pma n ASN 219 Cb 0.00 2.07 0.04 0.00 -2.36 0.00 0.00 39.78 39.52 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 -2.12 3.14 0.77 -3.83 1.02 -1.26 -4.48 119.74 112.97 1pma s LYS 220 Ca 0.10 0.74 -0.15 0.00 0.02 0.00 0.00 55.97 56.69 1pma s LYS 220 Cb -0.02 -2.03 0.01 0.00 -0.52 0.00 0.00 37.83 35.26 1pma s LYS 220 CO 0.08 -0.90 0.78 0.66 -0.92 0.00 0.00 175.35 175.04 1pma n TYR 221 N -2.97 -0.03 -3.81 3.18 4.01 -0.21 -4.66 117.16 112.68 1pma n TYR 221 Ca 0.07 0.36 -0.24 0.00 -0.16 0.00 0.00 57.90 57.93 1pma n TYR 221 Cb 0.55 -1.99 -0.17 0.00 -0.31 0.00 0.00 39.34 37.41 1pma n TYR 221 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1pma s ARG 222 N -3.30 0.89 -0.18 -0.72 3.52 0.79 -4.97 118.95 114.98 1pma s ARG 222 Ca 0.68 -0.00 -0.13 0.00 -0.13 0.00 0.00 55.73 56.15 1pma s ARG 222 Cb -0.32 -1.17 -0.05 0.00 -1.56 0.00 0.00 34.95 31.86 1pma s ARG 222 CO 0.55 -0.29 0.27 0.42 -0.81 0.00 0.00 175.30 175.44 1pma s ILE 223 N 1.89 5.31 0.12 4.11 1.01 -1.26 0.43 121.20 132.82 1pma s ILE 223 Ca 0.05 0.47 -0.30 0.00 0.00 0.00 0.00 60.65 60.87 1pma s ILE 223 Cb -0.12 -3.61 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 1pma s ILE 223 CO -0.06 0.37 1.26 -0.31 0.00 0.00 0.00 174.94 176.20 1pma s TYR 224 N 0.63 3.37 0.52 3.97 1.51 -0.21 -4.98 117.35 122.16 1pma s TYR 224 Ca 0.14 1.24 -0.17 0.00 -1.01 0.00 0.00 57.07 57.27 1pma s TYR 224 Cb -0.13 -3.50 -0.07 0.00 -0.11 0.00 0.00 41.96 38.15 1pma s TYR 224 CO 0.03 -1.58 1.01 0.16 -1.11 0.00 0.00 175.55 174.06 1pma s ASP 225 N 0.72 6.36 0.22 2.29 -4.77 -1.26 -4.75 116.67 115.48 1pma s ASP 225 Ca 0.58 1.72 -0.07 0.00 -3.30 0.00 0.00 52.55 51.48 1pma s ASP 225 Cb -0.33 -2.53 0.34 0.00 -1.09 0.00 0.00 42.92 39.32 1pma s ASP 225 CO 0.32 -0.77 1.25 1.67 0.70 0.00 0.00 175.17 178.35 1pma n GLN 226 N -1.50 -0.09 -0.03 2.11 7.27 -1.26 -1.05 117.38 122.83 1pma n GLN 226 Ca 0.08 1.25 -0.12 0.00 0.07 0.00 0.00 57.00 58.27 1pma n GLN 226 Cb 0.53 -1.86 -0.08 0.00 2.41 0.00 0.00 30.24 31.25 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 0.17 -0.38 3.69 3.07 -1.97 -1.93 114.58 117.23 1pma h GLU 227 Ca 0.37 -0.07 0.05 0.00 -0.50 0.00 0.00 59.36 59.21 1pma h GLU 227 Cb 0.57 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.43 1pma h GLU 227 CO -0.82 0.50 0.10 1.49 -1.40 0.00 0.00 179.01 178.88 1pma h GLU 228 N -0.17 0.23 -0.74 2.33 4.81 -1.46 0.21 114.58 119.79 1pma h GLU 228 Ca 0.02 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1pma h GLU 228 Cb 0.44 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1pma h GLU 228 CO 0.01 0.15 0.22 -0.24 -0.73 0.00 0.00 179.01 178.42 1pma h VAL 229 N 0.24 1.26 0.00 0.32 3.04 -1.35 -0.82 116.25 118.94 1pma h VAL 229 Ca 0.18 -0.93 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 1pma h VAL 229 Cb 0.18 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 29.93 1pma h VAL 229 CO -0.21 0.37 0.00 0.50 -1.01 0.00 0.00 177.57 177.22 1pma h LYS 230 N 1.11 0.00 -0.28 4.17 3.64 -0.41 -0.78 116.57 124.01 1pma h LYS 230 Ca 0.24 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.46 1pma h LYS 230 Cb 0.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1pma h LYS 230 CO -0.00 0.00 -0.44 -0.22 -2.27 0.00 0.00 179.45 176.52 1pma h LYS 231 N 0.00 0.71 0.00 1.90 3.64 0.52 -3.15 116.57 120.18 1pma h LYS 231 Ca 0.00 -0.39 -0.18 0.00 -1.27 0.00 0.00 60.65 58.82 1pma h LYS 231 Cb 0.09 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1pma h LYS 231 CO 0.00 1.01 -1.06 0.74 -2.27 0.00 0.00 179.45 177.86 1pma h PHE 232 N 0.57 0.00 0.00 1.91 -1.00 -1.18 -3.52 116.94 113.73 1pma h PHE 232 Ca 0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1pma h PHE 232 Cb 0.99 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.55 1pma h PHE 232 CO 0.05 0.72 0.00 -0.11 -1.61 0.00 0.00 178.31 177.36