#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 0.12 12.58 -7.23 -1.26 -4.88 120.40 119.73 1pma s VAL 14 Ca 0.00 -1.59 -0.30 0.00 -1.81 0.00 0.00 61.98 58.28 1pma s VAL 14 Cb 0.00 -2.40 -0.06 0.00 0.56 0.00 0.00 36.38 34.48 1pma s VAL 14 CO 0.00 0.00 0.94 -0.36 -0.31 0.00 0.00 175.10 175.37 1pma s PHE 15 N -3.77 3.83 0.67 2.82 0.08 -1.26 -4.22 117.98 116.13 1pma s PHE 15 Ca 0.28 1.79 -0.11 0.00 0.12 0.00 0.00 56.93 59.01 1pma s PHE 15 Cb 0.01 -3.03 -0.01 0.00 -0.57 0.00 0.00 43.02 39.42 1pma s PHE 15 CO 0.13 0.24 1.06 -1.54 -0.10 0.00 0.00 175.22 175.01 1pma s SER 16 N -0.15 5.75 0.00 1.36 1.04 -0.15 -4.87 113.70 116.69 1pma s SER 16 Ca 0.46 1.31 0.00 0.00 0.48 0.00 0.00 55.95 58.20 1pma s SER 16 Cb -0.23 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1pma s SER 16 CO 0.30 -1.17 0.54 -2.65 0.98 0.00 0.00 173.24 171.24 1pma n PRO 17 N -2.92 0.00 -0.11 4.02 -0.02 -1.26 -0.05 135.00 134.66 1pma n PRO 17 Ca 0.07 0.08 0.04 0.00 -2.02 0.00 0.00 63.50 61.67 1pma n PRO 17 Cb 0.55 -1.51 0.10 0.00 -0.02 0.00 0.00 33.50 32.62 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 -1.04 2.58 -2.11 2.55 5.75 -1.26 -5.01 116.55 118.01 1pma n ASP 18 Ca 0.00 -2.10 -0.08 0.00 -0.01 0.00 0.00 54.79 52.61 1pma n ASP 18 Cb 0.01 -0.16 0.04 0.00 -1.03 0.00 0.00 41.12 39.98 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 -0.03 0.07 3.03 6.12 0.00 0.93 -5.07 105.19 110.25 1pma n GLY 19 Ca 0.08 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.61 0.51 -0.64 1.61 0.52 -1.25 -4.88 118.95 110.21 1pma s ARG 20 Ca 0.00 -0.59 -0.17 0.00 -0.52 0.00 0.00 55.73 54.46 1pma s ARG 20 Cb -0.00 -0.35 0.14 0.00 0.52 0.00 0.00 34.95 35.25 1pma s ARG 20 CO 0.33 0.08 0.67 -0.51 0.02 0.00 0.00 175.30 175.89 1pma s LEU 21 N -1.12 5.91 0.24 2.53 2.01 -1.26 -0.98 118.68 126.02 1pma s LEU 21 Ca -0.06 -1.83 -0.05 0.00 0.01 0.00 0.00 54.13 52.20 1pma s LEU 21 Cb -0.07 -2.26 0.36 0.00 0.01 0.00 0.00 46.19 44.23 1pma s LEU 21 CO 0.00 -0.92 1.84 -0.26 1.01 0.00 0.00 176.35 178.02 1pma h PHE 22 N 8.80 0.96 -0.76 0.29 0.04 -1.98 -2.03 116.94 122.26 1pma h PHE 22 Ca -0.20 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.67 1pma h PHE 22 Cb 1.08 -0.31 -0.06 0.00 2.20 0.00 0.00 35.95 38.86 1pma h PHE 22 CO 0.85 0.46 0.44 1.96 -0.60 0.00 0.00 178.31 181.42 1pma h GLN 23 N 0.93 0.76 -0.18 1.51 1.08 -1.91 0.24 115.11 117.52 1pma h GLN 23 Ca 0.39 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.48 1pma h GLN 23 Cb 0.24 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1pma h GLN 23 CO -0.20 0.50 -0.15 -0.24 -0.95 0.00 0.00 178.83 177.80 1pma h VAL 24 N 0.79 1.20 0.84 -0.54 3.04 -1.81 -1.02 116.25 118.75 1pma h VAL 24 Ca 0.35 -0.90 -0.04 0.00 -1.01 0.00 0.00 66.70 65.10 1pma h VAL 24 Cb 0.23 1.23 0.01 0.00 -2.01 0.00 0.00 31.29 30.75 1pma h VAL 24 CO -0.20 0.28 -0.40 -0.33 -1.01 0.00 0.00 177.57 175.91 1pma h GLU 25 N 0.28 -1.09 -1.07 4.17 4.39 -0.00 -1.96 114.58 119.31 1pma h GLU 25 Ca 0.05 0.07 0.28 0.00 0.34 0.00 0.00 59.36 60.11 1pma h GLU 25 Cb 0.43 0.25 -0.10 0.00 -0.10 0.00 0.00 28.75 29.23 1pma h GLU 25 CO 0.03 -0.72 0.68 1.88 -1.16 0.00 0.00 179.01 179.72 1pma h TYR 26 N -1.29 0.66 -0.15 4.33 0.05 -0.51 0.77 116.97 120.83 1pma h TYR 26 Ca -0.12 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 1pma h TYR 26 Cb 0.87 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 1pma h TYR 26 CO -0.00 0.03 0.07 0.00 -1.05 0.00 0.00 178.16 177.21 1pma h ALA 27 N 1.63 0.19 -0.85 3.88 0.00 -0.94 -2.68 119.26 120.49 1pma h ALA 27 Ca 0.62 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.62 1pma h ALA 27 Cb 1.61 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 19.23 1pma h ALA 27 CO -0.32 -0.24 0.41 0.00 0.00 0.00 0.00 179.25 179.10 1pma h ARG 28 N 0.12 0.53 -0.47 0.00 3.08 0.13 0.13 114.38 117.90 1pma h ARG 28 Ca 0.05 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.16 1pma h ARG 28 Cb 0.12 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 1pma h ARG 28 CO -0.01 0.35 -0.05 0.93 -1.07 0.00 0.00 179.97 180.12 1pma h GLU 29 N 0.54 0.06 -0.74 0.04 4.39 -1.09 0.93 114.58 118.72 1pma h GLU 29 Ca 0.48 -0.00 0.17 0.00 0.34 0.00 0.00 59.36 60.34 1pma h GLU 29 Cb 0.75 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.35 1pma h GLU 29 CO -0.41 0.04 0.50 0.00 -1.16 0.00 0.00 179.01 177.98 1pma h ALA 30 N 1.44 2.26 -0.07 3.43 0.00 -0.63 -0.42 119.26 125.27 1pma h ALA 30 Ca 0.23 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 1pma h ALA 30 Cb 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1pma h ALA 30 CO -0.43 -0.47 -0.70 -0.39 0.00 0.00 0.00 179.25 177.26 1pma h VAL 31 N 0.30 1.40 -0.10 0.00 -1.51 -0.60 -3.13 116.25 112.61 1pma h VAL 31 Ca 0.36 -2.14 -0.03 0.00 -1.23 0.00 0.00 66.70 63.66 1pma h VAL 31 Cb 0.99 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 32.26 1pma h VAL 31 CO -0.09 0.64 -0.09 0.11 -1.23 0.00 0.00 177.57 176.91 1pma h LYS 32 N 0.22 0.14 -0.06 5.19 1.57 -0.70 -1.60 116.57 121.34 1pma h LYS 32 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1pma h LYS 32 Cb 1.26 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1pma h LYS 32 CO 0.11 0.24 0.00 1.63 -0.57 0.00 0.00 179.45 180.87 1pma n LYS 33 N -4.36 1.19 -2.63 3.15 5.02 -1.12 -3.11 118.16 116.31 1pma n LYS 33 Ca -0.01 -0.29 -0.23 0.00 -2.02 0.00 0.00 58.31 55.75 1pma n LYS 33 Cb 0.21 -1.23 0.11 0.00 -0.02 0.00 0.00 35.03 34.10 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 -1.37 1.75 0.93 0.72 0.00 -0.60 -4.93 107.32 103.81 1pma s GLY 34 Ca 0.21 -1.84 -0.11 0.00 0.00 0.00 0.00 44.72 42.98 1pma s GLY 34 CO 0.16 -1.24 1.09 -0.45 0.00 0.00 0.00 173.10 172.66 1pma s SER 35 N -4.77 3.14 -0.14 1.64 0.15 -1.26 -2.08 113.70 110.38 1pma s SER 35 Ca 0.67 1.56 -0.08 0.00 0.70 0.00 0.00 55.95 58.81 1pma s SER 35 Cb -0.05 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 1pma s SER 35 CO 0.45 -2.86 0.14 0.28 1.20 0.00 0.00 173.24 172.45 1pma s THR 36 N -2.85 5.48 0.09 6.45 -1.32 -1.26 -3.09 115.64 119.14 1pma s THR 36 Ca 0.64 0.22 -0.19 0.00 -1.21 0.00 0.00 61.69 61.15 1pma s THR 36 Cb -0.19 -3.42 0.05 0.00 -1.51 0.00 0.00 72.50 67.42 1pma s THR 36 CO 0.58 0.58 0.47 0.00 -2.21 0.00 0.00 174.62 174.03 1pma s ALA 37 N -0.73 -1.16 0.34 11.08 0.00 0.58 -1.09 121.76 130.79 1pma s ALA 37 Ca 0.14 0.29 -0.08 0.00 0.00 0.00 0.00 51.96 52.31 1pma s ALA 37 Cb -0.12 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.58 1pma s ALA 37 CO 0.03 -0.58 0.57 -0.48 0.00 0.00 0.00 175.76 175.30 1pma s LEU 38 N -2.39 0.64 0.04 0.00 2.34 0.14 0.98 118.68 120.44 1pma s LEU 38 Ca -0.01 -1.32 -0.27 0.00 0.06 0.00 0.00 54.13 52.59 1pma s LEU 38 Cb 0.00 1.91 0.09 0.00 -0.56 0.00 0.00 46.19 47.63 1pma s LEU 38 CO -0.07 -1.39 0.76 -0.83 -1.06 0.00 0.00 176.35 173.75 1pma s GLY 39 N -3.16 -0.53 -0.12 -3.48 0.00 0.34 -0.62 107.32 99.75 1pma s GLY 39 Ca 0.25 0.92 -0.29 0.00 0.00 0.00 0.00 44.72 45.60 1pma s GLY 39 CO 0.16 0.40 0.69 -3.16 0.00 0.00 0.00 173.10 171.19 1pma s MET 40 N -2.98 0.99 0.48 2.90 0.23 -0.98 -1.12 119.30 118.83 1pma s MET 40 Ca 0.01 0.49 -0.19 0.00 -1.03 0.00 0.00 55.69 54.96 1pma s MET 40 Cb -0.01 0.47 -0.09 0.00 -1.53 0.00 0.00 34.83 33.68 1pma s MET 40 CO -0.07 -0.26 1.00 0.15 -2.03 0.00 0.00 175.02 173.81 1pma s LYS 41 N -0.70 3.93 0.00 3.16 1.02 0.03 -2.42 119.74 124.76 1pma s LYS 41 Ca -0.08 1.19 0.00 0.00 0.02 0.00 0.00 55.97 57.10 1pma s LYS 41 Cb -0.02 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1pma s LYS 41 CO 0.07 -0.30 0.00 1.97 -0.92 0.00 0.00 175.35 176.17 1pma n PHE 42 N -1.07 -0.01 0.00 3.18 1.16 -0.67 -4.84 117.46 115.20 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 -2.28 1.98 0.00 -0.39 -3.55 120.51 113.27 1pma n ALA 43 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1pma n ALA 43 Cb 0.00 0.03 0.07 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.50 1.22 0.00 0.00 4.05 -1.26 -4.98 115.26 113.79 1pma n ASN 44 Ca 0.00 -2.49 0.00 0.00 0.45 0.00 0.00 54.58 52.54 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 0.07 2.81 3.28 8.20 0.00 -1.23 -0.19 105.19 118.13 1pma n GLY 45 Ca 0.10 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.52 0.04 0.17 1.61 0.11 -0.51 -1.68 120.40 118.61 1pma s VAL 46 Ca 0.00 -0.31 0.07 0.00 -2.93 0.00 0.00 61.98 58.80 1pma s VAL 46 Cb 0.00 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1pma s VAL 46 CO 0.00 -0.17 -0.14 -1.48 -3.33 0.00 0.00 175.10 169.98 1pma s LEU 47 N -0.97 2.49 0.09 2.54 2.34 -1.02 -1.48 118.68 122.68 1pma s LEU 47 Ca -0.10 -0.94 0.07 0.00 0.06 0.00 0.00 54.13 53.23 1pma s LEU 47 Cb -0.04 -0.61 -0.03 0.00 -0.56 0.00 0.00 46.19 44.95 1pma s LEU 47 CO 0.04 -0.17 -0.19 -0.22 -1.06 0.00 0.00 176.35 174.75 1pma s LEU 48 N -2.95 2.29 -0.23 1.48 2.96 0.63 -2.32 118.68 120.55 1pma s LEU 48 Ca 0.17 -0.67 -0.13 0.00 -0.22 0.00 0.00 54.13 53.28 1pma s LEU 48 Cb -0.02 -0.79 0.07 0.00 0.50 0.00 0.00 46.19 45.95 1pma s LEU 48 CO 0.05 0.03 0.56 -0.51 -1.32 0.00 0.00 176.35 175.15 1pma s ILE 49 N -1.18 -0.06 0.05 6.68 1.10 0.20 -1.46 121.20 126.54 1pma s ILE 49 Ca 0.04 0.05 0.04 0.00 -0.51 0.00 0.00 60.65 60.27 1pma s ILE 49 Cb -0.10 -0.82 -0.03 0.00 0.15 0.00 0.00 42.46 41.67 1pma s ILE 49 CO 0.04 0.02 -0.11 -0.55 -2.11 0.00 0.00 174.94 172.22 1pma s SER 50 N 1.59 1.32 -0.50 4.50 0.15 0.35 0.27 113.70 121.38 1pma s SER 50 Ca -0.09 -0.55 -0.27 0.00 0.70 0.00 0.00 55.95 55.73 1pma s SER 50 Cb -0.07 -0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.25 1pma s SER 50 CO -0.17 -0.11 1.05 -0.62 1.20 0.00 0.00 173.24 174.59 1pma s ASP 51 N -1.55 6.51 -0.91 5.45 2.15 -0.25 -0.62 116.67 127.46 1pma s ASP 51 Ca -0.05 0.17 -0.20 0.00 0.43 0.00 0.00 52.55 52.91 1pma s ASP 51 Cb -0.09 -2.50 0.12 0.00 -0.30 0.00 0.00 42.92 40.14 1pma s ASP 51 CO 0.01 -1.22 1.14 -0.75 -0.17 0.00 0.00 175.17 174.18 1pma s LYS 52 N 4.23 3.54 -0.42 4.34 2.20 -1.20 -4.67 119.74 127.76 1pma s LYS 52 Ca 0.41 -1.58 -0.20 0.00 -0.36 0.00 0.00 55.97 54.23 1pma s LYS 52 Cb -0.09 -4.88 0.02 0.00 -1.51 0.00 0.00 37.83 31.37 1pma s LYS 52 CO 0.27 -1.82 0.62 0.15 -0.36 0.00 0.00 175.35 174.21 1pma s LYS 53 N 3.09 3.35 0.05 4.03 1.02 -1.26 -4.14 119.74 125.88 1pma s LYS 53 Ca 0.33 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 56.02 1pma s LYS 53 Cb -0.06 -3.92 -0.04 0.00 -0.52 0.00 0.00 37.83 33.29 1pma s LYS 53 CO -0.07 -0.94 0.12 0.54 -0.92 0.00 0.00 175.35 174.08 1pma s VAL 54 N 2.74 4.85 0.00 3.17 0.11 -1.26 -5.09 120.40 124.92 1pma s VAL 54 Ca 0.22 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 1pma s VAL 54 Cb -0.14 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 1pma s VAL 54 CO 0.18 0.19 0.00 -1.14 -3.33 0.00 0.00 175.10 170.99 1pma n ARG 55 N 0.58 0.00 -1.15 1.54 3.00 -1.26 -5.09 116.66 114.29 1pma n ARG 55 Ca -0.09 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.45 1pma n ARG 55 Cb 0.52 0.00 0.11 0.00 0.00 0.00 0.00 32.46 33.08 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 -0.33 4.16 0.29 6.15 0.15 -1.26 -4.94 113.70 117.92 1pma s SER 56 Ca 0.00 1.88 0.15 0.00 0.70 0.00 0.00 55.95 58.69 1pma s SER 56 Cb 0.00 -2.52 0.20 0.00 -1.71 0.00 0.00 66.02 61.99 1pma s SER 56 CO 0.00 -2.27 1.50 0.03 1.20 0.00 0.00 173.24 173.71 1pma h ARG 57 N -1.29 0.00 0.00 5.44 3.08 -2.07 -3.22 114.38 116.31 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 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1pma h ARG 57 CO 0.49 0.51 0.00 1.28 -1.07 0.00 0.00 179.97 181.18 1pma n LEU 58 N -3.30 0.00 -4.81 3.04 4.32 -1.26 -4.78 117.00 110.21 1pma n LEU 58 Ca 0.01 0.41 -0.34 0.00 -0.02 0.00 0.00 56.01 56.07 1pma n LEU 58 Cb 0.70 -0.41 -0.06 0.00 -1.62 0.00 0.00 43.42 42.03 1pma n LEU 58 CO 0.40 -0.22 0.68 -0.63 -1.22 0.00 0.00 177.39 176.39 1pma s ILE 59 N -2.81 4.13 -0.81 -0.08 -1.09 -1.22 -4.94 121.20 114.38 1pma s ILE 59 Ca 0.09 1.40 -0.06 0.00 -2.23 0.00 0.00 60.65 59.85 1pma s ILE 59 Cb 0.09 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.32 1pma s ILE 59 CO 0.22 -0.22 2.95 -0.62 -1.23 0.00 0.00 174.94 176.04 1pma n GLU 60 N -0.56 3.13 0.00 2.79 -0.58 -1.26 -4.97 120.64 119.19 1pma n GLU 60 Ca 0.07 -2.23 0.00 0.00 -0.42 0.00 0.00 57.16 54.58 1pma n GLU 60 Cb 0.53 -2.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 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 2.13 0.00 -0.19 3.49 -0.00 -1.26 -1.08 117.38 120.46 1pma n GLN 61 Ca 0.58 0.00 0.18 0.00 -0.00 0.00 0.00 57.00 57.76 1pma n GLN 61 Cb 0.50 0.00 0.32 0.00 -0.00 0.00 0.00 30.24 31.07 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 0.56 0.16 0.08 2.61 2.85 -1.26 -0.51 115.26 119.75 1pma n ASN 62 Ca 0.00 0.83 0.18 0.00 -0.11 0.00 0.00 54.58 55.48 1pma n ASN 62 Cb 0.00 -0.40 0.53 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 -1.23 1.20 0.02 -1.53 -1.80 113.55 110.21 1pma h SER 63 Ca 0.45 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.66 1pma h SER 63 Cb 1.28 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.69 1pma h SER 63 CO -0.35 0.00 2.25 0.00 -1.14 0.00 0.00 176.83 177.59 1pma n ILE 64 N -3.18 5.25 -2.37 3.27 3.06 0.33 -4.96 119.36 120.75 1pma n ILE 64 Ca 0.09 -4.40 -0.42 0.00 -2.50 0.00 0.00 62.75 55.52 1pma n ILE 64 Cb 0.94 -2.02 -0.03 0.00 0.54 0.00 0.00 39.64 39.08 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 4.28 -0.14 9.51 0.41 -0.68 -4.89 118.70 125.78 1pma s GLU 65 Ca 0.53 1.75 0.16 0.00 -0.41 0.00 0.00 54.97 57.01 1pma s GLU 65 Cb 0.19 -3.67 -0.24 0.00 -1.78 0.00 0.00 34.13 28.63 1pma s GLU 65 CO -0.10 -0.60 0.31 1.63 -0.49 0.00 0.00 175.26 176.01 1pma n LYS 66 N 5.91 0.67 -3.10 1.61 5.02 -1.26 -4.79 118.16 122.21 1pma n LYS 66 Ca 0.13 0.11 -0.41 0.00 -2.02 0.00 0.00 58.31 56.12 1pma n LYS 66 Cb 0.45 -1.63 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 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 4.96 0.06 -0.18 1.01 -1.26 -4.04 121.20 119.21 1pma s ILE 67 Ca -0.08 1.10 0.08 0.00 0.00 0.00 0.00 60.65 61.76 1pma s ILE 67 Cb 0.07 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1pma s ILE 67 CO 0.83 -0.02 -0.23 -1.10 0.00 0.00 0.00 174.94 174.42 1pma s GLN 68 N 2.55 1.47 0.01 2.79 -0.21 -0.56 -5.00 119.66 120.71 1pma s GLN 68 Ca 0.27 -1.06 -0.20 0.00 0.02 0.00 0.00 55.36 54.39 1pma s GLN 68 Cb -0.15 -1.67 -0.06 0.00 1.00 0.00 0.00 33.01 32.13 1pma s GLN 68 CO 0.09 0.42 0.57 -0.51 -2.12 0.00 0.00 175.29 173.74 1pma s LEU 69 N -1.39 4.45 -0.15 2.90 1.43 -1.26 -1.20 118.68 123.46 1pma s LEU 69 Ca 0.09 1.16 0.18 0.00 -1.03 0.00 0.00 54.13 54.53 1pma s LEU 69 Cb -0.09 -2.88 -0.26 0.00 0.03 0.00 0.00 46.19 42.99 1pma s LEU 69 CO 0.03 0.16 0.20 -0.38 0.23 0.00 0.00 176.35 176.59 1pma n ILE 70 N 2.42 1.16 -3.60 -0.59 5.41 0.60 -4.95 119.36 119.81 1pma n ILE 70 Ca -0.08 -0.79 -0.05 0.00 1.00 0.00 0.00 62.75 62.82 1pma n ILE 70 Cb 0.51 -0.42 -0.03 0.00 -0.71 0.00 0.00 39.64 38.99 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 -5.36 -0.18 0.51 4.38 2.15 -0.78 -4.78 116.67 112.61 1pma s ASP 71 Ca -0.09 0.11 0.10 0.00 0.43 0.00 0.00 52.55 53.10 1pma s ASP 71 Cb 0.08 0.16 0.55 0.00 -0.30 0.00 0.00 42.92 43.41 1pma s ASP 71 CO 0.84 -0.23 1.23 0.44 -0.17 0.00 0.00 175.17 177.29 1pma h ASP 72 N 2.15 0.00 -0.01 -0.34 3.32 -2.00 0.28 116.42 119.82 1pma h ASP 72 Ca -0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1pma h ASP 72 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 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 -2.32 0.00 -3.74 4.55 4.02 -1.26 -1.40 117.16 117.01 1pma n TYR 73 Ca -0.01 -0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.75 1pma n TYR 73 Cb 0.64 -0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.83 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 -0.45 -0.04 0.33 -0.72 0.11 0.10 -2.87 120.40 116.86 1pma s VAL 74 Ca 0.06 0.15 0.04 0.00 -2.93 0.00 0.00 61.98 59.31 1pma s VAL 74 Cb 0.04 -0.32 -0.06 0.00 -1.53 0.00 0.00 36.38 34.51 1pma s VAL 74 CO 0.07 0.06 0.06 0.00 -3.33 0.00 0.00 175.10 171.96 1pma s ALA 75 N 1.17 2.43 0.06 1.54 0.00 0.16 -0.29 121.76 126.82 1pma s ALA 75 Ca -0.09 -2.04 -0.17 0.00 0.00 0.00 0.00 51.96 49.66 1pma s ALA 75 Cb -0.10 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.69 1pma s ALA 75 CO -0.07 -0.30 0.40 0.00 0.00 0.00 0.00 175.76 175.79 1pma s ALA 76 N -3.26 -0.96 0.09 0.00 0.00 -0.34 -0.63 121.76 116.67 1pma s ALA 76 Ca 0.36 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.58 1pma s ALA 76 Cb 0.09 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 1pma s ALA 76 CO 0.16 -0.48 -0.10 0.54 0.00 0.00 0.00 175.76 175.88 1pma s VAL 77 N -2.68 0.89 0.18 0.00 0.11 -0.54 -1.50 120.40 116.86 1pma s VAL 77 Ca -0.04 -1.60 0.01 0.00 -2.93 0.00 0.00 61.98 57.42 1pma s VAL 77 Cb -0.00 -1.31 -0.05 0.00 -1.53 0.00 0.00 36.38 33.49 1pma s VAL 77 CO -0.04 -0.56 0.02 0.28 -3.33 0.00 0.00 175.10 171.47 1pma s THR 78 N -2.40 0.61 -0.17 5.04 -1.32 -1.26 -1.22 115.64 114.93 1pma s THR 78 Ca 0.04 -1.98 -0.11 0.00 -1.21 0.00 0.00 61.69 58.43 1pma s THR 78 Cb -0.03 -2.16 0.05 0.00 -1.51 0.00 0.00 72.50 68.85 1pma s THR 78 CO -0.00 -0.43 0.42 -0.55 -2.21 0.00 0.00 174.62 171.85 1pma s SER 79 N -3.17 -0.50 0.00 8.08 0.15 -0.20 -4.89 113.70 113.17 1pma s SER 79 Ca 0.25 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.80 1pma s SER 79 Cb 0.06 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 65.20 1pma s SER 79 CO 0.05 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1pma n GLY 80 N 3.78 0.31 3.62 9.45 0.00 -1.26 -1.84 105.19 119.25 1pma n GLY 80 Ca -0.20 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 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 3.72 0.18 0.99 2.01 0.12 -4.83 118.68 120.88 1pma s LEU 81 Ca 0.00 1.83 -0.20 0.00 0.01 0.00 0.00 54.13 55.78 1pma s LEU 81 Cb 0.00 -3.52 0.11 0.00 0.01 0.00 0.00 46.19 42.79 1pma s LEU 81 CO 0.00 -1.59 1.62 1.62 1.01 0.00 0.00 176.35 179.00 1pma h VAL 82 N 6.59 0.32 0.00 -1.59 3.04 -1.95 -0.11 116.25 122.55 1pma h VAL 82 Ca -0.39 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.33 1pma h VAL 82 Cb 1.20 0.32 -0.05 0.00 -2.01 0.00 0.00 31.29 30.76 1pma h VAL 82 CO 0.98 0.00 -0.27 0.00 -1.01 0.00 0.00 177.57 177.27 1pma h ALA 83 N 1.07 -0.37 -0.97 3.17 0.00 -1.98 -0.92 119.26 119.25 1pma h ALA 83 Ca 0.21 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.23 1pma h ALA 83 Cb 0.48 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 1pma h ALA 83 CO -0.54 -0.77 0.60 -0.44 0.00 0.00 0.00 179.25 178.10 1pma h ASP 84 N -0.41 0.88 0.39 0.00 5.19 -1.79 -1.80 116.42 118.87 1pma h ASP 84 Ca 0.06 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1pma h ASP 84 Cb 0.50 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1pma h ASP 84 CO -0.23 0.47 -0.19 0.00 -3.12 0.00 0.00 179.24 176.17 1pma h ALA 85 N 1.52 -0.52 0.37 3.45 0.00 -0.24 -2.10 119.26 121.75 1pma h ALA 85 Ca 0.48 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1pma h ALA 85 Cb 0.47 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1pma h ALA 85 CO -0.26 -0.79 -0.44 -0.09 0.00 0.00 0.00 179.25 177.67 1pma h ARG 86 N -0.53 -0.81 -0.74 0.00 2.43 -0.44 0.23 114.38 114.52 1pma h ARG 86 Ca -0.05 0.06 0.15 0.00 -0.81 0.00 0.00 59.98 59.32 1pma h ARG 86 Cb 0.40 0.18 -0.10 0.00 -0.42 0.00 0.00 29.97 30.04 1pma h ARG 86 CO 0.09 -0.54 0.24 -0.24 -1.51 0.00 0.00 179.97 178.00 1pma h VAL 87 N -0.84 0.59 -0.75 0.20 3.04 -1.41 0.19 116.25 117.27 1pma h VAL 87 Ca -0.03 -0.12 -0.01 0.00 -1.01 0.00 0.00 66.70 65.53 1pma h VAL 87 Cb 0.76 0.21 -0.04 0.00 -2.01 0.00 0.00 31.29 30.21 1pma h VAL 87 CO -0.10 0.06 0.43 0.25 -1.01 0.00 0.00 177.57 177.20 1pma h LEU 88 N 0.35 0.91 -0.28 3.16 5.85 -0.62 -2.35 115.31 122.32 1pma h LEU 88 Ca 0.41 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 59.02 1pma h LEU 88 Cb 0.67 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1pma h LEU 88 CO -0.45 0.72 -0.03 0.58 -0.34 0.00 0.00 178.44 178.92 1pma h VAL 89 N 1.04 1.27 -0.82 1.05 2.07 0.25 -2.85 116.25 118.25 1pma h VAL 89 Ca 0.27 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1pma h VAL 89 Cb -0.00 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1pma h VAL 89 CO -0.05 0.32 0.45 0.44 0.02 0.00 0.00 177.57 178.76 1pma h ASP 90 N 0.29 1.02 -0.11 0.57 3.32 -0.86 -1.37 116.42 119.28 1pma h ASP 90 Ca 0.08 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.07 1pma h ASP 90 Cb 0.48 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 1pma h ASP 90 CO 0.02 0.82 -0.23 0.15 -1.72 0.00 0.00 179.24 178.29 1pma h PHE 91 N 1.14 -0.60 -0.87 4.55 3.04 -1.41 0.19 116.94 122.97 1pma h PHE 91 Ca 0.29 0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.39 1pma h PHE 91 Cb 0.03 0.28 -0.08 0.00 2.56 0.00 0.00 35.95 38.74 1pma h PHE 91 CO 0.00 -0.31 0.50 0.00 -2.02 0.00 0.00 178.31 176.48 1pma h ALA 92 N 0.66 1.30 0.59 2.41 0.00 -1.22 0.40 119.26 123.40 1pma h ALA 92 Ca 0.10 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1pma h ALA 92 Cb 0.44 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1pma h ALA 92 CO -0.29 0.05 -0.34 0.00 0.00 0.00 0.00 179.25 178.67 1pma h ARG 93 N 0.77 -0.84 -0.69 0.00 3.08 0.21 0.12 114.38 117.02 1pma h ARG 93 Ca 0.45 0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.51 1pma h ARG 93 Cb 0.51 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1pma h ARG 93 CO -0.30 -0.56 0.26 -0.84 -1.07 0.00 0.00 179.97 177.46 1pma h ILE 94 N -0.87 1.25 -0.85 2.04 3.07 -0.24 -1.41 117.51 120.50 1pma h ILE 94 Ca -0.07 -0.80 0.12 0.00 1.55 0.00 0.00 64.86 65.66 1pma h ILE 94 Cb 0.70 0.48 -0.08 0.00 -0.27 0.00 0.00 36.82 37.64 1pma h ILE 94 CO 0.09 0.32 0.46 -1.28 -1.05 0.00 0.00 178.15 176.69 1pma h SER 95 N 0.99 0.61 -0.57 2.16 0.87 0.09 -0.23 113.55 117.47 1pma h SER 95 Ca 0.23 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 1pma h SER 95 Cb 0.24 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 1pma h SER 95 CO -0.02 0.30 0.25 0.00 -0.53 0.00 0.00 176.83 176.84 1pma h ALA 96 N 1.51 0.74 -0.39 6.23 0.00 0.30 -2.57 119.26 125.08 1pma h ALA 96 Ca 0.44 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1pma h ALA 96 Cb 0.53 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1pma h ALA 96 CO -0.31 0.33 0.25 1.96 0.00 0.00 0.00 179.25 181.48 1pma h GLN 97 N 0.78 0.49 -0.25 0.00 1.08 -0.51 -1.73 115.11 114.96 1pma h GLN 97 Ca 0.19 -0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.43 1pma h GLN 97 Cb 0.16 -0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 27.41 1pma h GLN 97 CO -0.02 0.32 -0.25 1.96 -0.95 0.00 0.00 178.83 179.90 1pma h GLN 98 N 0.50 -0.24 -0.33 1.46 4.20 -0.77 0.23 115.11 120.17 1pma h GLN 98 Ca 0.15 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.94 1pma h GLN 98 Cb -0.03 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.74 1pma h GLN 98 CO -0.05 -0.16 -0.04 1.49 -0.67 0.00 0.00 178.83 179.41 1pma h GLU 99 N -0.25 0.05 -0.39 1.46 4.81 -1.14 -1.73 114.58 117.39 1pma h GLU 99 Ca 0.14 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.44 1pma h GLU 99 Cb 0.47 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.77 1pma h GLU 99 CO -0.40 0.03 -0.02 0.87 -0.73 0.00 0.00 179.01 178.76 1pma h LYS 100 N 0.05 0.07 0.00 1.92 1.57 -0.28 -0.83 116.57 119.08 1pma h LYS 100 Ca 0.16 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1pma h LYS 100 Cb 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1pma h LYS 100 CO -0.30 0.05 -0.33 -0.24 -0.57 0.00 0.00 179.45 178.06 1pma h VAL 101 N 0.08 1.11 0.01 0.50 3.04 0.23 0.32 116.25 121.53 1pma h VAL 101 Ca 0.19 -1.19 -0.23 0.00 -1.01 0.00 0.00 66.70 64.47 1pma h VAL 101 Cb 0.28 1.66 -0.03 0.00 -2.01 0.00 0.00 31.29 31.19 1pma h VAL 101 CO -0.35 0.32 -1.26 0.00 -1.01 0.00 0.00 177.57 175.28 1pma h THR 102 N 0.00 0.93 0.00 3.17 1.03 -0.97 -3.39 112.91 113.67 1pma h THR 102 Ca -0.00 -2.20 -0.02 0.00 -0.01 0.00 0.00 66.41 64.18 1pma h THR 102 Cb 0.64 2.29 -0.00 0.00 -1.07 0.00 0.00 68.15 70.00 1pma h THR 102 CO 0.04 0.36 -1.03 1.88 -0.01 0.00 0.00 175.52 176.77 1pma h TYR 103 N -0.92 0.00 0.00 0.00 0.05 -1.26 -3.48 116.97 111.36 1pma h TYR 103 Ca -0.34 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.44 1pma h TYR 103 Cb 1.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.09 1pma h TYR 103 CO 0.10 0.07 0.00 0.41 -1.05 0.00 0.00 178.16 177.70 1pma n GLY 104 N 1.21 0.67 3.60 3.88 0.00 0.11 -5.02 105.19 109.64 1pma n GLY 104 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.63 -0.36 -0.93 1.61 0.15 -1.21 -4.92 113.70 105.41 1pma s SER 105 Ca 0.00 0.52 -0.19 0.00 0.70 0.00 0.00 55.95 56.98 1pma s SER 105 Cb 0.00 0.46 0.12 0.00 -1.71 0.00 0.00 66.02 64.89 1pma s SER 105 CO 0.00 -0.25 1.15 -0.22 1.20 0.00 0.00 173.24 175.12 1pma s LEU 106 N -0.61 4.88 -0.04 3.45 2.96 -1.26 -4.58 118.68 123.48 1pma s LEU 106 Ca 0.01 -1.95 -0.26 0.00 -0.22 0.00 0.00 54.13 51.71 1pma s LEU 106 Cb -0.02 -2.42 -0.21 0.00 0.50 0.00 0.00 46.19 44.04 1pma s LEU 106 CO -0.02 -1.12 1.20 1.62 -1.32 0.00 0.00 176.35 176.70 1pma h VAL 107 N 5.93 1.44 -3.60 1.68 3.04 -1.97 -3.42 116.25 119.34 1pma h VAL 107 Ca 0.14 -1.30 -0.61 0.00 -1.01 0.00 0.00 66.70 63.92 1pma h VAL 107 Cb 1.02 2.32 -0.38 0.00 -2.01 0.00 0.00 31.29 32.24 1pma h VAL 107 CO 1.14 0.34 -0.78 0.21 -1.01 0.00 0.00 177.57 177.47 1pma s ASN 108 N -5.76 3.84 0.55 3.17 3.84 -1.26 -1.57 114.94 117.75 1pma s ASN 108 Ca -0.16 -1.21 0.24 0.00 0.21 0.00 0.00 52.86 51.94 1pma s ASN 108 Cb 0.01 -1.15 1.45 0.00 -0.55 0.00 0.00 41.25 41.01 1pma s ASN 108 CO 0.67 -0.25 2.08 -0.29 -2.79 0.00 0.00 177.10 176.52 1pma h ILE 109 N 6.65 0.72 -0.65 -5.21 2.10 -1.97 -1.22 117.51 117.93 1pma h ILE 109 Ca -0.17 0.00 0.05 0.00 1.08 0.00 0.00 64.86 65.82 1pma h ILE 109 Cb 1.07 0.84 -0.04 0.00 -1.09 0.00 0.00 36.82 37.61 1pma h ILE 109 CO 0.41 0.00 0.43 -0.08 -1.08 0.00 0.00 178.15 177.83 1pma h GLU 110 N 0.00 0.70 -0.47 2.19 4.81 -2.00 -1.31 114.58 118.50 1pma h GLU 110 Ca 0.13 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1pma h GLU 110 Cb 0.55 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1pma h GLU 110 CO -0.00 0.46 -0.00 -0.97 -0.73 0.00 0.00 179.01 177.77 1pma h ASN 111 N 0.72 0.81 -0.05 1.04 -0.73 -1.65 -0.59 115.58 115.13 1pma h ASN 111 Ca 0.27 -0.31 0.04 0.00 1.87 0.00 0.00 56.30 58.17 1pma h ASN 111 Cb 0.16 -0.22 -0.05 0.00 0.27 0.00 0.00 38.32 38.48 1pma h ASN 111 CO -0.08 0.92 -0.30 0.25 -0.37 0.00 0.00 177.43 177.85 1pma h LEU 112 N 0.68 -0.91 -1.21 0.34 5.85 -1.35 -0.40 115.31 118.31 1pma h LEU 112 Ca 0.13 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 1pma h LEU 112 Cb 0.51 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 1pma h LEU 112 CO 0.02 -0.36 0.34 1.62 -0.34 0.00 0.00 178.44 179.72 1pma h VAL 113 N -0.42 1.20 -0.59 1.05 3.04 -1.38 -1.24 116.25 117.90 1pma h VAL 113 Ca 0.08 -0.51 0.06 0.00 -1.01 0.00 0.00 66.70 65.31 1pma h VAL 113 Cb 0.53 0.35 -0.05 0.00 -2.01 0.00 0.00 31.29 30.11 1pma h VAL 113 CO -0.29 0.22 0.31 0.11 -1.01 0.00 0.00 177.57 176.91 1pma h LYS 114 N 0.89 0.56 -0.12 4.17 1.57 0.07 0.17 116.57 123.88 1pma h LYS 114 Ca 0.23 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1pma h LYS 114 Cb 0.04 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1pma h LYS 114 CO -0.03 0.37 0.06 -0.09 -0.57 0.00 0.00 179.45 179.19 1pma h ARG 115 N 0.58 0.16 -0.59 3.15 2.43 0.06 -0.07 114.38 120.10 1pma h ARG 115 Ca 0.27 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1pma h ARG 115 Cb 0.18 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1pma h ARG 115 CO -0.18 0.19 0.34 -0.24 -1.51 0.00 0.00 179.97 178.56 1pma h VAL 116 N 0.09 1.17 -0.13 0.20 3.04 -1.14 -2.48 116.25 117.01 1pma h VAL 116 Ca 0.04 -0.41 -0.01 0.00 -1.01 0.00 0.00 66.70 65.30 1pma h VAL 116 Cb 0.08 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 29.72 1pma h VAL 116 CO -0.01 0.19 0.03 0.00 -1.01 0.00 0.00 177.57 176.77 1pma h ALA 117 N 1.56 0.18 -0.50 3.17 0.00 -0.23 -2.54 119.26 120.89 1pma h ALA 117 Ca 0.21 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1pma h ALA 117 Cb -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1pma h ALA 117 CO -0.04 -0.18 0.33 -0.44 0.00 0.00 0.00 179.25 178.93 1pma h ASP 118 N 0.01 0.43 0.19 0.00 5.19 -0.72 0.12 116.42 121.63 1pma h ASP 118 Ca 0.04 -0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1pma h ASP 118 Cb 0.28 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 39.65 1pma h ASP 118 CO 0.00 0.29 -0.39 -0.61 -3.12 0.00 0.00 179.24 175.41 1pma h GLN 119 N 0.50 -0.64 -0.36 3.56 -0.00 -1.03 -0.70 115.11 116.43 1pma h GLN 119 Ca 0.21 0.04 0.03 0.00 -0.00 0.00 0.00 58.65 58.93 1pma h GLN 119 Cb 0.20 0.15 -0.03 0.00 0.00 0.00 0.00 27.48 27.80 1pma h GLN 119 CO -0.05 -0.43 0.18 0.52 0.00 0.00 0.00 178.83 179.05 1pma h MET 120 N -0.67 0.36 -1.01 1.69 2.86 -1.01 -1.51 114.93 115.64 1pma h MET 120 Ca 0.01 -0.02 0.24 0.00 -2.06 0.00 0.00 59.70 57.87 1pma h MET 120 Cb 0.67 -0.08 -0.11 0.00 0.06 0.00 0.00 31.60 32.13 1pma h MET 120 CO -0.19 0.24 0.62 0.37 1.06 0.00 0.00 176.91 179.01 1pma h GLN 121 N 0.37 0.55 -0.56 1.72 -0.00 -0.18 -0.27 115.11 116.75 1pma h GLN 121 Ca 0.15 -0.03 0.08 0.00 -0.00 0.00 0.00 58.65 58.85 1pma h GLN 121 Cb 0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 27.48 27.35 1pma h GLN 121 CO -0.11 0.36 0.21 1.96 0.00 0.00 0.00 178.83 181.25 1pma h GLN 122 N 0.56 0.38 0.00 1.69 4.20 -0.05 0.18 115.11 122.08 1pma h GLN 122 Ca 0.62 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.30 1pma h GLN 122 Cb 1.24 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1pma h GLN 122 CO -0.41 0.25 0.00 0.66 -0.67 0.00 0.00 178.83 178.66 1pma n TYR 123 N -4.99 0.00 0.08 2.96 4.02 -0.12 -1.56 117.16 117.55 1pma n TYR 123 Ca 0.07 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 58.00 1pma n TYR 123 Cb 0.23 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.52 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 0.41 0.00 -0.72 2.02 -0.55 -3.37 112.91 110.70 1pma h THR 124 Ca 0.00 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.45 1pma h THR 124 Cb 0.00 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1pma h THR 124 CO 0.00 0.23 -0.22 0.00 0.37 0.00 0.00 175.52 175.90 1pma n GLN 125 N -2.90 3.23 -0.90 6.66 10.64 -0.72 -4.88 117.38 128.50 1pma n GLN 125 Ca -0.05 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.03 1pma n GLN 125 Cb 0.74 -0.47 -0.13 0.00 -0.86 0.00 0.00 30.24 29.51 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 -0.56 0.02 -0.88 2.61 4.01 -0.60 -4.98 117.16 116.78 1pma n TYR 126 Ca 0.00 -1.40 0.00 0.00 -0.16 0.00 0.00 57.90 56.34 1pma n TYR 126 Cb 0.00 -1.37 0.00 0.00 -0.31 0.00 0.00 39.34 37.66 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 2.27 3.18 3.28 2.72 0.00 -1.26 -4.60 105.19 110.78 1pma n GLY 127 Ca 0.34 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 0.02 0.00 -0.02 0.00 -1.26 -4.61 105.19 99.32 1pma n GLY 128 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1pma n GLY 128 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1pma n VAL 129 N 6.08 0.00 -2.29 1.61 3.14 -1.26 -5.15 118.33 120.46 1pma n VAL 129 Ca 0.23 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.19 1pma n VAL 129 Cb 0.41 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.16 1pma n VAL 129 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1pma s ARG 130 N 0.00 4.39 0.81 1.45 3.52 -1.26 -4.90 118.95 122.96 1pma s ARG 130 Ca 0.00 1.94 -0.13 0.00 -0.13 0.00 0.00 55.73 57.40 1pma s ARG 130 Cb 0.00 -3.28 0.08 0.00 -1.56 0.00 0.00 34.95 30.19 1pma s ARG 130 CO 0.00 -0.31 1.21 -2.14 -0.81 0.00 0.00 175.30 173.24 1pma s PRO 131 N 0.82 1.62 -0.45 5.12 0.02 -1.26 -4.91 135.00 135.96 1pma s PRO 131 Ca 0.60 1.76 -0.28 0.00 0.02 0.00 0.00 61.00 63.10 1pma s PRO 131 Cb -0.34 -1.77 -0.00 0.00 0.02 0.00 0.00 34.50 32.41 1pma s PRO 131 CO 0.31 -2.23 1.61 0.71 -0.33 0.00 0.00 177.00 177.08 1pma s TYR 132 N -2.14 2.06 -1.21 6.54 1.51 -1.26 -4.90 117.35 117.95 1pma s TYR 132 Ca 0.73 0.63 -0.15 0.00 -1.01 0.00 0.00 57.07 57.28 1pma s TYR 132 Cb -0.29 -4.24 -0.05 0.00 -0.11 0.00 0.00 41.96 37.28 1pma s TYR 132 CO 0.51 -2.34 2.23 0.41 -1.11 0.00 0.00 175.55 175.25 1pma n GLY 133 N 5.33 3.68 3.47 0.71 0.00 -1.26 -4.48 105.19 112.65 1pma n GLY 133 Ca 0.18 -1.39 -0.16 0.00 0.00 0.00 0.00 46.02 44.65 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 3.61 0.00 0.00 1.61 0.11 -1.26 -0.70 120.40 123.78 1pma s VAL 134 Ca 0.53 -0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.56 1pma s VAL 134 Cb 0.14 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 1pma s VAL 134 CO -0.02 -0.02 -0.06 -0.44 -3.33 0.00 0.00 175.10 171.23 1pma s SER 135 N -1.68 0.74 0.07 3.54 0.01 -0.76 -2.69 113.70 112.93 1pma s SER 135 Ca -0.07 -0.19 -0.08 0.00 1.31 0.00 0.00 55.95 56.92 1pma s SER 135 Cb -0.00 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.16 1pma s SER 135 CO 0.03 0.03 0.17 -1.48 0.41 0.00 0.00 173.24 172.39 1pma s LEU 136 N -0.40 1.53 -0.08 2.44 0.05 -0.02 -1.03 118.68 121.17 1pma s LEU 136 Ca 0.00 -0.63 0.02 0.00 0.05 0.00 0.00 54.13 53.58 1pma s LEU 136 Cb -0.04 0.93 0.01 0.00 -2.05 0.00 0.00 46.19 45.04 1pma s LEU 136 CO -0.00 -0.68 -0.15 0.27 -0.55 0.00 0.00 176.35 175.24 1pma s ILE 137 N -3.60 1.34 -0.07 1.48 -4.36 -0.35 -0.23 121.20 115.41 1pma s ILE 137 Ca 0.03 -0.59 -0.05 0.00 -0.26 0.00 0.00 60.65 59.77 1pma s ILE 137 Cb 0.04 -1.21 -0.04 0.00 1.25 0.00 0.00 42.46 42.50 1pma s ILE 137 CO -0.09 0.40 0.17 -0.36 0.24 0.00 0.00 174.94 175.30 1pma s PHE 138 N 0.66 3.58 -0.10 1.37 0.08 -0.75 -1.47 117.98 121.36 1pma s PHE 138 Ca -0.14 0.48 -0.15 0.00 0.12 0.00 0.00 56.93 57.23 1pma s PHE 138 Cb -0.16 -1.91 0.04 0.00 -0.57 0.00 0.00 43.02 40.42 1pma s PHE 138 CO 0.04 0.69 0.39 0.00 -0.10 0.00 0.00 175.22 176.25 1pma s ALA 139 N -1.16 -0.98 0.00 5.36 0.00 0.20 -1.17 121.76 124.02 1pma s ALA 139 Ca 0.21 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1pma s ALA 139 Cb -0.12 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1pma s ALA 139 CO 0.11 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1pma n GLY 140 N 2.26 0.45 3.44 0.00 0.00 -0.89 -0.66 105.19 109.79 1pma n GLY 140 Ca -0.16 -1.20 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 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 3.60 0.00 -0.61 -1.16 -1.14 -0.29 121.20 119.60 1pma s ILE 141 Ca 0.00 -0.46 0.00 0.00 -0.51 0.00 0.00 60.65 59.68 1pma s ILE 141 Cb 0.00 -2.57 0.00 0.00 0.61 0.00 0.00 42.46 40.50 1pma s ILE 141 CO 0.00 0.50 0.00 -0.90 -2.81 0.00 0.00 174.94 171.73 1pma n ASP 142 N 3.63 1.48 -0.15 4.50 3.85 -0.47 -4.87 116.55 124.52 1pma n ASP 142 Ca -0.18 0.00 0.04 0.00 -0.71 0.00 0.00 54.79 53.94 1pma n ASP 142 Cb 0.52 0.00 0.34 0.00 -1.35 0.00 0.00 41.12 40.63 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 0.76 -0.12 0.11 5.75 -1.54 -2.64 115.11 117.44 1pma h GLN 143 Ca 0.00 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.35 1pma h GLN 143 Cb 0.00 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.38 1pma h GLN 143 CO 0.00 0.51 -0.33 0.82 -2.65 0.00 0.00 178.83 177.18 1pma h ILE 144 N 0.79 1.38 0.00 2.39 2.04 -1.96 -3.50 117.51 118.64 1pma h ILE 144 Ca 0.26 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.48 1pma h ILE 144 Cb 0.06 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1pma h ILE 144 CO -0.07 0.48 0.00 0.61 0.00 0.00 0.00 178.15 179.17 1pma n GLY 145 N 0.54 0.17 3.78 5.37 0.00 -1.00 -5.11 105.19 108.94 1pma n GLY 145 Ca -0.07 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 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 4.16 0.04 1.61 0.02 -1.26 -1.37 135.00 136.19 1pma s PRO 146 Ca 0.00 2.46 -0.02 0.00 0.02 0.00 0.00 61.00 63.46 1pma s PRO 146 Cb 0.00 -2.98 -0.02 0.00 0.02 0.00 0.00 34.50 31.52 1pma s PRO 146 CO 0.00 -0.45 0.00 1.03 -0.33 0.00 0.00 177.00 177.26 1pma s ARG 147 N -2.03 0.50 -0.17 5.54 0.52 0.60 -4.89 118.95 119.01 1pma s ARG 147 Ca 0.52 -0.87 -0.08 0.00 -0.52 0.00 0.00 55.73 54.78 1pma s ARG 147 Cb -0.44 0.18 0.07 0.00 0.52 0.00 0.00 34.95 35.27 1pma s ARG 147 CO 0.60 -0.10 0.38 -1.17 0.02 0.00 0.00 175.30 175.03 1pma s LEU 148 N -2.18 -0.23 0.16 2.53 2.96 -1.26 -2.10 118.68 118.57 1pma s LEU 148 Ca -0.05 0.86 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 1pma s LEU 148 Cb -0.01 1.23 -0.04 0.00 0.50 0.00 0.00 46.19 47.87 1pma s LEU 148 CO -0.05 -0.21 0.02 -0.36 -1.32 0.00 0.00 176.35 174.43 1pma s PHE 149 N 1.83 1.13 0.17 5.38 0.40 -0.31 -1.79 117.98 124.78 1pma s PHE 149 Ca -0.06 -1.08 0.04 0.00 -0.60 0.00 0.00 56.93 55.23 1pma s PHE 149 Cb -0.10 -0.64 -0.05 0.00 0.51 0.00 0.00 43.02 42.74 1pma s PHE 149 CO -0.12 -0.29 -0.08 0.16 0.70 0.00 0.00 175.22 175.59 1pma s ASP 150 N -3.14 1.80 -0.18 1.36 -4.77 -0.37 -1.80 116.67 109.57 1pma s ASP 150 Ca 0.24 -1.07 -0.12 0.00 -3.30 0.00 0.00 52.55 48.30 1pma s ASP 150 Cb 0.06 -0.00 0.05 0.00 -1.09 0.00 0.00 42.92 41.94 1pma s ASP 150 CO 0.04 -0.38 0.44 0.00 0.70 0.00 0.00 175.17 175.97 1pma s ASP 152 N 0.92 4.60 0.57 0.00 -4.77 -1.14 -0.84 116.67 116.01 1pma s ASP 152 Ca -0.05 -1.23 0.28 0.00 -3.30 0.00 0.00 52.55 48.24 1pma s ASP 152 Cb -0.06 0.29 1.51 0.00 -1.09 0.00 0.00 42.92 43.57 1pma s ASP 152 CO -0.07 -1.01 1.99 -0.65 0.70 0.00 0.00 175.17 176.12 1pma h PRO 153 N 0.87 0.00 0.00 2.11 0.11 -1.73 0.30 132.00 133.65 1pma h PRO 153 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 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 0.59 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.38 1pma n ALA 154 N -2.43 2.39 -0.88 -0.75 0.00 -1.26 -4.70 120.51 112.88 1pma n ALA 154 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1pma n ALA 154 Cb 0.54 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.28 0.60 3.74 0.00 0.00 0.10 -4.57 105.19 106.35 1pma n GLY 155 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.22 3.83 -0.01 2.61 2.01 -1.26 -4.77 115.64 115.83 1pma s THR 156 Ca 0.00 1.63 0.03 0.00 0.31 0.00 0.00 61.69 63.66 1pma s THR 156 Cb 0.00 -4.04 -0.00 0.00 0.01 0.00 0.00 72.50 68.47 1pma s THR 156 CO 0.00 0.30 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.62 1pma s ILE 157 N -0.45 0.84 0.04 1.82 2.07 -1.26 -2.88 121.20 121.39 1pma s ILE 157 Ca 0.48 -0.43 -0.08 0.00 -1.41 0.00 0.00 60.65 59.21 1pma s ILE 157 Cb -0.29 -0.72 -0.00 0.00 0.13 0.00 0.00 42.46 41.58 1pma s ILE 157 CO 0.36 0.25 0.15 0.20 -1.91 0.00 0.00 174.94 173.98 1pma s ASN 158 N -0.10 0.10 -0.09 4.50 -0.87 -1.20 -5.00 114.94 112.29 1pma s ASN 158 Ca 0.02 -0.47 -0.01 0.00 -1.57 0.00 0.00 52.86 50.82 1pma s ASN 158 Cb -0.06 0.27 -0.03 0.00 -0.02 0.00 0.00 41.25 41.41 1pma s ASN 158 CO -0.00 -0.56 -0.01 -0.70 -2.57 0.00 0.00 177.10 173.26 1pma s GLU 159 N -2.73 2.99 0.36 -0.60 2.12 -1.26 -1.23 118.70 118.35 1pma s GLU 159 Ca -0.04 -0.44 0.06 0.00 0.36 0.00 0.00 54.97 54.91 1pma s GLU 159 Cb -0.00 -2.76 -0.07 0.00 0.26 0.00 0.00 34.13 31.55 1pma s GLU 159 CO -0.05 0.66 0.01 0.71 -0.54 0.00 0.00 175.26 176.05 1pma s TYR 160 N -0.77 2.26 -0.06 5.30 1.51 -0.74 -4.99 117.35 119.85 1pma s TYR 160 Ca 0.12 -0.75 0.06 0.00 -1.01 0.00 0.00 57.07 55.48 1pma s TYR 160 Cb -0.11 -1.50 -0.24 0.00 -0.11 0.00 0.00 41.96 40.00 1pma s TYR 160 CO 0.02 0.30 0.58 -0.22 -1.11 0.00 0.00 175.55 175.12 1pma h LYS 161 N 1.97 0.10 -2.02 -0.62 1.63 -1.95 -3.41 116.57 112.26 1pma h LYS 161 Ca -0.42 -0.17 0.09 0.00 -0.85 0.00 0.00 60.65 59.31 1pma h LYS 161 Cb 1.24 0.06 -0.18 0.00 -0.60 0.00 0.00 32.23 32.75 1pma h LYS 161 CO 0.75 0.76 0.50 0.00 -3.45 0.00 0.00 179.45 178.00 1pma s ALA 162 N -2.59 -1.86 -0.11 5.00 0.00 -1.26 -0.79 121.76 120.16 1pma s ALA 162 Ca -0.10 1.22 -0.33 0.00 0.00 0.00 0.00 51.96 52.75 1pma s ALA 162 Cb 0.07 0.03 0.14 0.00 0.00 0.00 0.00 23.12 23.37 1pma s ALA 162 CO 0.81 -0.55 1.40 -0.08 0.00 0.00 0.00 175.76 177.34 1pma s THR 163 N -2.36 0.00 0.28 0.00 -1.32 -0.28 -4.99 115.64 106.97 1pma s THR 163 Ca 0.02 -0.05 0.05 0.00 -1.21 0.00 0.00 61.69 60.51 1pma s THR 163 Cb -0.01 -1.83 -0.02 0.00 -1.51 0.00 0.00 72.50 69.13 1pma s THR 163 CO -0.04 0.00 0.20 0.00 -2.21 0.00 0.00 174.62 172.56 1pma n ALA 164 N -0.42 0.54 -3.48 11.08 0.00 -1.26 -0.50 120.51 126.47 1pma n ALA 164 Ca -0.07 -1.56 -0.10 0.00 0.00 0.00 0.00 53.44 51.70 1pma n ALA 164 Cb 0.63 1.21 -0.02 0.00 0.00 0.00 0.00 19.45 21.26 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 -3.00 0.00 0.00 0.00 1.10 0.28 -4.93 121.20 114.65 1pma s ILE 165 Ca 0.28 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.42 1pma s ILE 165 Cb 0.01 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.62 1pma s ILE 165 CO 0.20 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.64 1pma n GLY 166 N -0.17 0.47 0.03 1.50 0.00 -1.25 -0.31 105.19 105.46 1pma n GLY 166 Ca -0.13 -1.79 -0.01 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.07 0.00 1.61 0.87 -1.35 -3.33 113.55 111.29 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 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1pma h SER 167 CO 0.00 -0.02 0.00 0.61 -0.53 0.00 0.00 176.83 176.89 1pma n GLY 168 N 0.28 2.01 0.27 5.77 0.00 -1.26 -4.48 105.19 107.78 1pma n GLY 168 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 1.06 -0.55 -0.87 1.61 3.64 -1.83 -2.26 116.57 117.36 1pma h LYS 169 Ca 0.00 0.04 0.23 0.00 -1.27 0.00 0.00 60.65 59.64 1pma h LYS 169 Cb 0.84 0.12 -0.13 0.00 -0.41 0.00 0.00 32.23 32.66 1pma h LYS 169 CO 0.00 -0.37 0.30 -0.44 -2.27 0.00 0.00 179.45 176.67 1pma h ASP 170 N -0.57 0.13 0.42 4.20 3.32 -1.91 0.14 116.42 122.16 1pma h ASP 170 Ca -0.04 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1pma h ASP 170 Cb 0.48 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1pma h ASP 170 CO -0.01 -0.09 -0.20 0.00 -1.72 0.00 0.00 179.24 177.21 1pma h ALA 171 N 1.74 -0.92 -0.74 3.45 0.00 -1.87 -2.77 119.26 118.14 1pma h ALA 171 Ca 0.55 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.38 1pma h ALA 171 Cb 1.08 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1pma h ALA 171 CO -0.60 -0.88 0.49 -0.24 0.00 0.00 0.00 179.25 178.02 1pma h VAL 172 N -0.69 1.07 -0.65 0.00 3.04 -1.12 -1.28 116.25 116.61 1pma h VAL 172 Ca -0.06 -0.29 -0.03 0.00 -1.01 0.00 0.00 66.70 65.31 1pma h VAL 172 Cb 0.44 0.15 -0.03 0.00 -2.01 0.00 0.00 31.29 29.83 1pma h VAL 172 CO 0.10 0.15 0.28 1.62 -1.01 0.00 0.00 177.57 178.71 1pma h VAL 173 N 0.85 1.22 0.26 1.51 3.04 -0.80 -2.20 116.25 120.12 1pma h VAL 173 Ca 0.31 -0.67 -0.01 0.00 -1.01 0.00 0.00 66.70 65.32 1pma h VAL 173 Cb 0.15 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 29.86 1pma h VAL 173 CO -0.10 0.27 -0.12 0.28 -1.01 0.00 0.00 177.57 176.89 1pma h SER 174 N 0.93 -0.30 -0.62 3.17 0.02 -0.95 0.65 113.55 116.46 1pma h SER 174 Ca 0.22 -0.10 0.09 0.00 -0.84 0.00 0.00 61.79 61.16 1pma h SER 174 Cb 0.15 0.08 -0.11 0.00 0.14 0.00 0.00 62.40 62.66 1pma h SER 174 CO -0.02 -0.07 -0.43 0.15 -1.14 0.00 0.00 176.83 175.32 1pma h PHE 175 N -0.51 -1.25 -0.30 3.45 3.04 -1.02 0.84 116.94 121.19 1pma h PHE 175 Ca -0.04 0.08 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 1pma h PHE 175 Cb 0.38 0.63 -0.01 0.00 2.56 0.00 0.00 35.95 39.51 1pma h PHE 175 CO -0.01 -0.42 0.16 -0.07 -2.02 0.00 0.00 178.31 175.95 1pma h LEU 176 N -0.20 0.38 -1.89 0.59 -0.00 -1.34 0.31 115.31 113.16 1pma h LEU 176 Ca 0.19 -0.09 0.39 0.00 -0.00 0.00 0.00 57.88 58.37 1pma h LEU 176 Cb 0.56 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.07 1pma h LEU 176 CO -0.71 0.36 1.03 -0.08 -0.00 0.00 0.00 178.44 179.04 1pma h GLU 177 N 0.37 0.00 0.00 1.13 4.57 0.14 0.81 114.58 121.60 1pma h GLU 177 Ca 0.11 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.22 1pma h GLU 177 Cb 0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1pma h GLU 177 CO -0.02 0.00 -1.21 -2.13 -1.18 0.00 0.00 179.01 174.48 1pma n ARG 178 N -3.96 0.54 -0.29 1.92 0.63 -0.32 -4.69 116.66 110.48 1pma n ARG 178 Ca 0.29 0.23 0.08 0.00 -0.92 0.00 0.00 57.85 57.53 1pma n ARG 178 Cb 1.46 -1.45 0.23 0.00 0.45 0.00 0.00 32.46 33.14 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 -4.44 2.32 -2.22 -0.14 1.02 0.10 -4.95 120.64 112.34 1pma n GLU 179 Ca -0.20 -1.83 -0.42 0.00 -0.02 0.00 0.00 57.16 54.69 1pma n GLU 179 Cb 0.56 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.50 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 -1.43 2.92 -0.33 -0.32 5.04 0.28 -4.94 117.35 118.57 1pma s TYR 180 Ca 0.34 0.85 -0.10 0.00 -2.44 0.00 0.00 57.07 55.71 1pma s TYR 180 Cb 0.18 -3.66 -0.00 0.00 0.35 0.00 0.00 41.96 38.83 1pma s TYR 180 CO 0.21 -2.41 0.17 0.21 -1.34 0.00 0.00 175.55 172.40 1pma s LYS 181 N 2.19 3.28 0.00 4.97 2.47 -1.26 -5.02 119.74 126.37 1pma s LYS 181 Ca 0.64 -0.76 0.00 0.00 -1.56 0.00 0.00 55.97 54.28 1pma s LYS 181 Cb -0.32 -3.63 0.00 0.00 -1.46 0.00 0.00 37.83 32.42 1pma s LYS 181 CO 0.27 -0.46 0.28 -1.91 0.16 0.00 0.00 175.35 173.68 1pma n GLU 182 N 5.00 0.00 -1.92 4.03 4.07 -1.26 -2.92 120.64 127.64 1pma n GLU 182 Ca -0.13 0.28 -0.38 0.00 -0.06 0.00 0.00 57.16 56.86 1pma n GLU 182 Cb 0.49 -0.54 0.04 0.00 -0.06 0.00 0.00 31.44 31.37 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 -0.85 7.23 -4.68 4.31 5.03 -1.26 -4.62 115.26 120.42 1pma n ASN 183 Ca 0.00 -3.82 -0.42 0.00 0.87 0.00 0.00 54.58 51.21 1pma n ASN 183 Cb 0.00 -0.99 -0.03 0.00 -1.02 0.00 0.00 39.78 37.74 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 -3.99 4.35 0.45 3.41 2.96 -1.15 -4.18 118.68 120.52 1pma s LEU 184 Ca 0.53 2.39 -0.25 0.00 -0.22 0.00 0.00 54.13 56.58 1pma s LEU 184 Cb 0.44 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 43.50 1pma s LEU 184 CO -0.35 -0.89 1.35 -2.84 -1.32 0.00 0.00 176.35 172.31 1pma s PRO 185 N 3.06 3.73 0.02 0.98 0.02 -1.26 -1.27 135.00 140.28 1pma s PRO 185 Ca 0.73 2.25 -0.03 0.00 0.02 0.00 0.00 61.00 63.98 1pma s PRO 185 Cb -0.37 -2.63 -0.01 0.00 0.02 0.00 0.00 34.50 31.51 1pma s PRO 185 CO 0.31 -0.72 0.56 -1.91 -0.33 0.00 0.00 177.00 174.91 1pma n GLU 186 N -0.19 -0.04 -0.27 5.54 2.13 -1.26 -0.77 120.64 125.77 1pma n GLU 186 Ca 0.05 0.56 0.06 0.00 0.66 0.00 0.00 57.16 58.49 1pma n GLU 186 Cb 0.43 -0.83 0.17 0.00 0.27 0.00 0.00 31.44 31.47 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 0.08 -0.06 5.31 3.64 -2.00 0.32 116.57 123.86 1pma h LYS 187 Ca 0.02 -0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.19 1pma h LYS 187 Cb 0.04 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1pma h LYS 187 CO -0.10 0.05 -0.81 0.93 -2.27 0.00 0.00 179.45 177.25 1pma h GLU 188 N 0.08 0.44 -0.11 1.90 5.08 -1.42 -2.62 114.58 117.93 1pma h GLU 188 Ca 0.43 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1pma h GLU 188 Cb 0.77 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1pma h GLU 188 CO -0.72 1.04 0.03 0.00 -1.00 0.00 0.00 179.01 178.36 1pma h ALA 189 N 0.83 0.12 -0.26 3.43 0.00 0.14 0.27 119.26 123.80 1pma h ALA 189 Ca -0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1pma h ALA 189 Cb 1.41 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1pma h ALA 189 CO 0.14 -0.43 0.09 -0.24 0.00 0.00 0.00 179.25 178.82 1pma h VAL 190 N 0.08 1.11 0.58 0.00 3.04 -0.52 -0.40 116.25 120.13 1pma h VAL 190 Ca 0.05 -0.36 -0.03 0.00 -1.01 0.00 0.00 66.70 65.36 1pma h VAL 190 Cb 0.04 0.82 0.01 0.00 -2.01 0.00 0.00 31.29 30.14 1pma h VAL 190 CO -0.06 0.13 -0.28 0.74 -1.01 0.00 0.00 177.57 177.09 1pma h THR 191 N 0.36 0.11 -0.87 3.17 2.02 -0.78 0.79 112.91 117.71 1pma h THR 191 Ca 0.09 -0.43 0.22 0.00 0.77 0.00 0.00 66.41 67.07 1pma h THR 191 Cb 0.09 0.17 -0.13 0.00 -1.74 0.00 0.00 68.15 66.54 1pma h THR 191 CO -0.01 0.02 0.31 0.25 0.37 0.00 0.00 175.52 176.46 1pma h LEU 192 N -1.15 0.15 1.00 2.58 5.85 -0.29 0.70 115.31 124.15 1pma h LEU 192 Ca -0.08 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1pma h LEU 192 Cb 0.63 0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.87 1pma h LEU 192 CO 0.13 -0.08 -0.49 1.23 -0.34 0.00 0.00 178.44 178.89 1pma h GLY 193 N 0.29 -1.42 0.98 3.75 0.00 -0.91 -0.04 103.07 105.73 1pma h GLY 193 Ca 0.55 0.53 0.12 0.00 0.00 0.00 0.00 47.33 48.53 1pma h GLY 193 CO -0.59 -0.51 0.40 1.19 0.00 0.00 0.00 176.54 177.03 1pma h ILE 194 N -1.35 0.82 0.02 2.60 2.10 0.53 0.26 117.51 122.49 1pma h ILE 194 Ca -0.14 -0.08 -0.00 0.00 1.08 0.00 0.00 64.86 65.72 1pma h ILE 194 Cb 1.04 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.32 1pma h ILE 194 CO 0.22 0.04 -0.01 0.50 -1.08 0.00 0.00 178.15 177.83 1pma h LYS 195 N 0.25 -0.02 -0.40 2.19 3.64 -0.70 0.77 116.57 122.30 1pma h LYS 195 Ca 0.27 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.70 1pma h LYS 195 Cb 0.75 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 1pma h LYS 195 CO -0.06 0.38 0.16 0.00 -2.27 0.00 0.00 179.45 177.66 1pma h ALA 196 N 0.54 0.48 0.02 5.00 0.00 0.87 0.28 119.26 126.45 1pma h ALA 196 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pma h ALA 196 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1pma h ALA 196 CO 0.00 -0.23 -0.03 1.25 0.00 0.00 0.00 179.25 180.24 1pma h LEU 197 N 0.33 -0.09 0.00 0.00 5.85 -0.51 -2.60 115.31 118.29 1pma h LEU 197 Ca 0.18 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1pma h LEU 197 Cb 0.14 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1pma h LEU 197 CO -0.17 -0.05 0.00 1.17 -0.34 0.00 0.00 178.44 179.05 1pma n LYS 198 N -5.14 0.00 -0.25 1.25 4.81 0.26 -2.31 118.16 116.78 1pma n LYS 198 Ca -0.07 0.63 -0.04 0.00 -0.87 0.00 0.00 58.31 57.96 1pma n LYS 198 Cb 0.07 -1.37 -0.03 0.00 0.02 0.00 0.00 35.03 33.73 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 -2.06 -0.55 0.00 3.14 3.41 0.01 0.54 113.62 118.11 1pma n SER 199 Ca 0.00 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 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 -4.84 0.00 0.21 4.04 2.88 -0.98 -3.17 113.62 111.77 1pma n SER 200 Ca 0.03 0.13 0.15 0.00 -1.33 0.00 0.00 58.87 57.85 1pma n SER 200 Cb 0.20 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 64.35 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 -3.71 2.46 7.12 -1.31 -3.34 115.31 116.53 1pma h LEU 201 Ca 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.96 1pma h LEU 201 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 1pma h LEU 201 CO 0.00 0.00 -0.05 -0.62 -0.13 0.00 0.00 178.44 177.64 1pma n GLU 202 N -2.58 0.97 0.08 1.25 4.71 0.19 -3.27 120.64 121.99 1pma n GLU 202 Ca -0.00 -0.28 -0.13 0.00 -0.01 0.00 0.00 57.16 56.74 1pma n GLU 202 Cb 0.17 -1.43 -0.13 0.00 -1.01 0.00 0.00 31.44 29.03 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 2.73 0.18 -1.23 3.49 4.22 -1.77 -3.19 114.58 119.00 1pma h GLU 203 Ca 0.05 -0.30 -0.34 0.00 0.08 0.00 0.00 59.36 58.85 1pma h GLU 203 Cb 0.84 0.11 -0.17 0.00 0.50 0.00 0.00 28.75 30.03 1pma h GLU 203 CO 0.13 1.12 0.44 0.41 -2.18 0.00 0.00 179.01 178.93 1pma n GLY 204 N 1.49 3.96 5.18 1.92 0.00 -1.20 -4.97 105.19 111.56 1pma n GLY 204 Ca -0.07 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.13 0.00 -1.90 1.61 4.07 -1.21 -4.79 120.64 118.29 1pma n GLU 205 Ca 0.35 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 57.03 1pma n GLU 205 Cb 0.86 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.21 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 4.07 0.44 5.31 2.12 -1.26 -4.85 118.70 124.53 1pma s GLU 206 Ca 0.00 2.24 0.28 0.00 0.36 0.00 0.00 54.97 57.85 1pma s GLU 206 Cb 0.00 -4.06 0.90 0.00 0.26 0.00 0.00 34.13 31.23 1pma s GLU 206 CO 0.00 -1.00 1.80 1.25 -0.54 0.00 0.00 175.26 176.77 1pma h LEU 207 N 10.77 0.00 0.00 2.70 5.85 -1.97 -3.48 115.31 129.19 1pma h LEU 207 Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 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 0.96 0.00 0.00 1.17 -0.34 0.00 0.00 178.44 180.23 1pma n LYS 208 N -2.91 0.00 -3.90 1.25 3.00 -1.26 -4.49 118.16 109.85 1pma n LYS 208 Ca 0.02 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.99 1pma n LYS 208 Cb 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.28 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 -1.96 2.85 0.45 3.14 0.00 -1.26 -5.08 121.76 119.89 1pma s ALA 209 Ca 0.00 -1.88 -0.21 0.00 0.00 0.00 0.00 51.96 49.87 1pma s ALA 209 Cb 0.00 -1.99 -0.10 0.00 0.00 0.00 0.00 23.12 21.04 1pma s ALA 209 CO 0.00 -1.35 0.99 -2.14 0.00 0.00 0.00 175.76 173.26 1pma s PRO 210 N 1.22 4.06 -0.27 0.00 0.02 -1.26 -3.27 135.00 135.51 1pma s PRO 210 Ca -0.03 1.25 -0.08 0.00 0.02 0.00 0.00 61.00 62.16 1pma s PRO 210 Cb -0.20 -2.19 -0.03 0.00 0.02 0.00 0.00 34.50 32.10 1pma s PRO 210 CO -0.02 -0.19 0.11 -2.00 -0.33 0.00 0.00 177.00 174.57 1pma s GLU 211 N -3.11 3.64 0.00 5.54 2.12 0.21 -4.87 118.70 122.23 1pma s GLU 211 Ca 0.63 -0.50 0.02 0.00 0.36 0.00 0.00 54.97 55.49 1pma s GLU 211 Cb -0.13 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 1pma s GLU 211 CO 0.17 -0.23 -0.06 -1.50 -0.54 0.00 0.00 175.26 173.10 1pma s ILE 212 N 1.64 0.49 0.00 -3.70 2.07 -1.26 -0.50 121.20 119.95 1pma s ILE 212 Ca 0.06 -0.39 -0.04 0.00 -1.41 0.00 0.00 60.65 58.87 1pma s ILE 212 Cb -0.16 -0.44 -0.01 0.00 0.13 0.00 0.00 42.46 41.99 1pma s ILE 212 CO 0.05 0.05 0.07 0.00 -1.91 0.00 0.00 174.94 173.20 1pma s ALA 213 N -0.34 -0.15 -0.08 1.50 0.00 -0.54 -1.37 121.76 120.79 1pma s ALA 213 Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 51.96 51.58 1pma s ALA 213 Cb -0.04 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.21 1pma s ALA 213 CO -0.00 -0.17 0.33 -1.54 0.00 0.00 0.00 175.76 174.38 1pma s SER 214 N -1.23 -0.29 0.08 0.00 1.04 0.75 -0.27 113.70 113.79 1pma s SER 214 Ca -0.13 0.44 0.06 0.00 0.48 0.00 0.00 55.95 56.80 1pma s SER 214 Cb -0.08 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1pma s SER 214 CO 0.00 -0.26 -0.16 -0.51 0.98 0.00 0.00 173.24 173.29 1pma s ILE 215 N -0.46 1.32 0.17 -1.02 2.07 -0.55 -1.25 121.20 121.48 1pma s ILE 215 Ca -0.06 -1.39 0.08 0.00 -1.41 0.00 0.00 60.65 57.87 1pma s ILE 215 Cb -0.04 -1.24 -0.04 0.00 0.13 0.00 0.00 42.46 41.27 1pma s ILE 215 CO 0.02 -0.17 -0.16 0.28 -1.91 0.00 0.00 174.94 173.00 1pma s THR 216 N -1.25 1.69 0.27 4.00 -1.32 -1.26 -1.42 115.64 116.34 1pma s THR 216 Ca 0.01 -1.97 -0.31 0.00 -1.21 0.00 0.00 61.69 58.21 1pma s THR 216 Cb -0.10 -1.85 -0.13 0.00 -1.51 0.00 0.00 72.50 68.92 1pma s THR 216 CO 0.03 -0.43 1.47 0.55 -2.21 0.00 0.00 174.62 174.03 1pma n VAL 217 N 0.12 1.06 0.00 5.08 3.14 0.74 -2.50 118.33 125.96 1pma n VAL 217 Ca -0.12 -0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 1pma n VAL 217 Cb 0.58 -1.67 0.00 0.00 -1.06 0.00 0.00 33.84 31.69 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 2.05 3.13 2.64 7.55 0.00 -1.26 -5.03 105.19 114.27 1pma n GLY 218 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.08 -4.85 1.61 6.94 -1.04 -5.17 115.26 111.67 1pma n ASN 219 Ca 0.00 -2.48 -0.29 0.00 -0.02 0.00 0.00 54.58 51.79 1pma n ASN 219 Cb 0.00 2.00 0.09 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 -2.61 1.99 0.61 -3.83 1.02 -1.26 -4.50 119.74 111.15 1pma s LYS 220 Ca 0.23 0.32 -0.18 0.00 0.02 0.00 0.00 55.97 56.35 1pma s LYS 220 Cb -0.01 -1.93 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 1pma s LYS 220 CO 0.16 -1.62 1.22 0.71 -0.92 0.00 0.00 175.35 174.90 1pma s TYR 221 N -3.39 2.32 -0.11 3.18 2.02 -0.49 -4.55 117.35 116.33 1pma s TYR 221 Ca 0.61 1.51 -0.00 0.00 -0.37 0.00 0.00 57.07 58.83 1pma s TYR 221 Cb -0.12 -3.51 0.02 0.00 -0.40 0.00 0.00 41.96 37.94 1pma s TYR 221 CO 0.52 -2.35 -0.08 0.50 -1.57 0.00 0.00 175.55 172.56 1pma s ARG 222 N -3.38 1.51 -0.13 -0.62 3.52 -0.38 -4.99 118.95 114.48 1pma s ARG 222 Ca 0.78 -0.26 -0.12 0.00 -0.13 0.00 0.00 55.73 56.01 1pma s ARG 222 Cb -0.31 -1.54 -0.05 0.00 -1.56 0.00 0.00 34.95 31.49 1pma s ARG 222 CO 0.35 -0.23 0.25 0.42 -0.81 0.00 0.00 175.30 175.27 1pma s ILE 223 N 1.59 5.33 0.27 4.11 1.01 -1.26 -0.18 121.20 132.07 1pma s ILE 223 Ca 0.03 0.45 -0.29 0.00 0.00 0.00 0.00 60.65 60.84 1pma s ILE 223 Cb -0.13 -3.56 -0.09 0.00 0.01 0.00 0.00 42.46 38.69 1pma s ILE 223 CO -0.07 0.49 1.15 -0.31 0.00 0.00 0.00 174.94 176.20 1pma s TYR 224 N -0.18 3.47 0.44 3.97 1.51 -0.47 -4.98 117.35 121.10 1pma s TYR 224 Ca 0.16 1.61 -0.14 0.00 -1.01 0.00 0.00 57.07 57.69 1pma s TYR 224 Cb -0.13 -3.37 -0.08 0.00 -0.11 0.00 0.00 41.96 38.27 1pma s TYR 224 CO 0.04 -0.85 0.86 0.16 -1.11 0.00 0.00 175.55 174.65 1pma s ASP 225 N -0.67 6.63 0.22 2.29 -4.77 -1.26 -4.80 116.67 114.32 1pma s ASP 225 Ca 0.46 1.37 -0.09 0.00 -3.30 0.00 0.00 52.55 51.00 1pma s ASP 225 Cb -0.33 -2.42 0.34 0.00 -1.09 0.00 0.00 42.92 39.42 1pma s ASP 225 CO 0.42 -0.44 1.30 1.67 0.70 0.00 0.00 175.17 178.82 1pma n GLN 226 N -1.22 -0.10 -0.06 2.11 7.27 -1.26 -0.07 117.38 124.04 1pma n GLN 226 Ca 0.05 1.30 -0.11 0.00 0.07 0.00 0.00 57.00 58.30 1pma n GLN 226 Cb 0.54 -1.93 -0.05 0.00 2.41 0.00 0.00 30.24 31.21 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 0.34 -0.63 3.69 3.07 -1.98 -1.36 114.58 117.70 1pma h GLU 227 Ca 0.37 -0.08 0.03 0.00 -0.50 0.00 0.00 59.36 59.18 1pma h GLU 227 Cb 0.58 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.41 1pma h GLU 227 CO -0.85 0.46 0.39 1.49 -1.40 0.00 0.00 179.01 179.10 1pma h GLU 228 N 0.16 0.74 -0.48 2.33 4.81 -0.85 -1.32 114.58 119.96 1pma h GLU 228 Ca 0.07 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1pma h GLU 228 Cb 0.27 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1pma h GLU 228 CO 0.00 0.49 -0.03 -0.24 -0.73 0.00 0.00 179.01 178.50 1pma h VAL 229 N 0.76 1.27 0.00 0.32 3.04 -0.94 -2.50 116.25 118.20 1pma h VAL 229 Ca 0.26 -1.12 -0.00 0.00 -1.01 0.00 0.00 66.70 64.83 1pma h VAL 229 Cb 0.03 1.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.34 1pma h VAL 229 CO -0.11 0.39 -0.01 0.50 -1.01 0.00 0.00 177.57 177.33 1pma h LYS 230 N 0.72 0.00 -0.31 4.17 3.64 -0.60 -1.34 116.57 122.83 1pma h LYS 230 Ca 0.13 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 1pma h LYS 230 Cb 0.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1pma h LYS 230 CO 0.03 0.01 -0.34 -0.22 -2.27 0.00 0.00 179.45 176.66 1pma h LYS 231 N 0.00 0.70 0.00 1.90 3.64 -0.79 -3.05 116.57 118.97 1pma h LYS 231 Ca -0.00 -0.33 -0.10 0.00 -1.27 0.00 0.00 60.65 58.95 1pma h LYS 231 Cb 0.07 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1pma h LYS 231 CO 0.00 0.93 -0.94 0.74 -2.27 0.00 0.00 179.45 177.91 1pma h PHE 232 N 0.59 0.00 0.00 1.91 -1.00 -1.33 -3.52 116.94 113.58 1pma h PHE 232 Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1pma h PHE 232 Cb 0.86 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.42 1pma h PHE 232 CO 0.04 0.37 0.00 -0.11 -1.61 0.00 0.00 178.31 177.01