#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 0.01 0.12 12.58 -7.23 -1.26 -4.86 120.40 119.76 1pma s VAL 14 Ca 0.00 -1.80 -0.30 0.00 -1.81 0.00 0.00 61.98 58.07 1pma s VAL 14 Cb 0.00 -2.34 -0.06 0.00 0.56 0.00 0.00 36.38 34.54 1pma s VAL 14 CO 0.00 -0.06 1.00 -0.36 -0.31 0.00 0.00 175.10 175.37 1pma s PHE 15 N -4.10 3.76 0.68 2.82 0.08 -1.26 -4.40 117.98 115.56 1pma s PHE 15 Ca 0.32 1.74 -0.11 0.00 0.12 0.00 0.00 56.93 59.00 1pma s PHE 15 Cb 0.05 -3.11 -0.00 0.00 -0.57 0.00 0.00 43.02 39.39 1pma s PHE 15 CO 0.10 0.00 1.07 -1.54 -0.10 0.00 0.00 175.22 174.74 1pma s SER 16 N 0.05 5.62 0.00 1.36 1.04 0.03 -4.85 113.70 116.94 1pma s SER 16 Ca 0.48 1.33 0.02 0.00 0.48 0.00 0.00 55.95 58.26 1pma s SER 16 Cb -0.25 -2.23 0.12 0.00 0.10 0.00 0.00 66.02 63.77 1pma s SER 16 CO 0.31 -1.25 0.71 -2.65 0.98 0.00 0.00 173.24 171.33 1pma n PRO 17 N -2.98 0.06 -0.15 4.02 -0.02 -1.26 0.40 135.00 135.07 1pma n PRO 17 Ca 0.07 0.09 0.05 0.00 -2.02 0.00 0.00 63.50 61.68 1pma n PRO 17 Cb 0.55 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.66 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 -1.10 2.77 -1.96 2.55 5.75 -1.26 -5.00 116.55 118.30 1pma n ASP 18 Ca 0.01 -2.03 -0.07 0.00 -0.01 0.00 0.00 54.79 52.69 1pma n ASP 18 Cb 0.01 -0.20 0.04 0.00 -1.03 0.00 0.00 41.12 39.94 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 0.28 0.15 3.08 6.12 0.00 0.16 -5.07 105.19 109.91 1pma n GLY 19 Ca 0.10 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.72 0.58 -0.74 1.61 0.52 -1.25 -4.86 118.95 110.09 1pma s ARG 20 Ca 0.04 -0.78 -0.15 0.00 -0.52 0.00 0.00 55.73 54.32 1pma s ARG 20 Cb -0.02 -0.39 0.18 0.00 0.52 0.00 0.00 34.95 35.24 1pma s ARG 20 CO 0.30 0.08 0.70 -0.51 0.02 0.00 0.00 175.30 175.89 1pma s LEU 21 N -1.58 6.47 0.26 2.53 2.01 -1.26 -0.79 118.68 126.31 1pma s LEU 21 Ca -0.08 -2.35 -0.01 0.00 0.01 0.00 0.00 54.13 51.70 1pma s LEU 21 Cb -0.10 -2.22 0.51 0.00 0.01 0.00 0.00 46.19 44.39 1pma s LEU 21 CO 0.01 -0.70 1.80 -0.26 1.01 0.00 0.00 176.35 178.20 1pma h PHE 22 N 8.21 0.91 -0.74 0.29 0.04 -1.98 -1.17 116.94 122.50 1pma h PHE 22 Ca -0.03 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.83 1pma h PHE 22 Cb 1.06 -0.27 -0.06 0.00 2.20 0.00 0.00 35.95 38.88 1pma h PHE 22 CO 0.95 0.31 0.44 1.96 -0.60 0.00 0.00 178.31 181.36 1pma h GLN 23 N 0.78 0.78 -0.05 1.51 1.08 -1.91 0.20 115.11 117.51 1pma h GLN 23 Ca 0.46 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.53 1pma h GLN 23 Cb 0.53 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1pma h GLN 23 CO -0.30 0.52 -0.34 -0.24 -0.95 0.00 0.00 178.83 177.52 1pma h VAL 24 N 0.81 1.26 0.29 -0.54 3.04 -1.68 0.01 116.25 119.45 1pma h VAL 24 Ca 0.32 -1.24 -0.01 0.00 -1.01 0.00 0.00 66.70 64.76 1pma h VAL 24 Cb 0.16 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1pma h VAL 24 CO -0.17 0.36 -0.14 -0.33 -1.01 0.00 0.00 177.57 176.28 1pma h GLU 25 N 0.08 -0.38 -0.91 4.17 4.39 0.21 -1.96 114.58 120.17 1pma h GLU 25 Ca 0.01 0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.82 1pma h GLU 25 Cb 0.64 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.31 1pma h GLU 25 CO 0.05 -0.10 0.56 1.88 -1.16 0.00 0.00 179.01 180.24 1pma h TYR 26 N -0.66 1.03 -1.00 4.33 0.05 -0.39 0.24 116.97 120.58 1pma h TYR 26 Ca -0.04 0.03 0.09 0.00 0.05 0.00 0.00 58.73 58.86 1pma h TYR 26 Cb 0.46 -0.33 -0.07 0.00 1.01 0.00 0.00 36.73 37.80 1pma h TYR 26 CO 0.01 0.47 0.64 0.00 -1.05 0.00 0.00 178.16 178.23 1pma h ALA 27 N 1.46 1.47 -0.82 3.88 0.00 -0.79 -0.03 119.26 124.43 1pma h ALA 27 Ca 0.42 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.34 1pma h ALA 27 Cb 0.30 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1pma h ALA 27 CO -0.22 0.35 0.54 0.00 0.00 0.00 0.00 179.25 179.92 1pma h ARG 28 N 1.09 1.04 0.09 0.00 3.08 -0.17 -2.61 114.38 116.91 1pma h ARG 28 Ca 0.46 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.46 1pma h ARG 28 Cb 0.30 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1pma h ARG 28 CO -0.21 0.69 -0.27 0.93 -1.07 0.00 0.00 179.97 180.04 1pma h GLU 29 N 1.07 -0.45 -1.00 0.04 4.39 -0.63 -2.03 114.58 115.97 1pma h GLU 29 Ca 0.31 0.03 0.24 0.00 0.34 0.00 0.00 59.36 60.28 1pma h GLU 29 Cb -0.07 0.10 -0.12 0.00 -0.10 0.00 0.00 28.75 28.56 1pma h GLU 29 CO -0.08 -0.30 0.59 0.00 -1.16 0.00 0.00 179.01 178.07 1pma h ALA 30 N 0.27 1.79 0.00 3.43 0.00 -1.27 0.40 119.26 123.87 1pma h ALA 30 Ca 0.04 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1pma h ALA 30 Cb 0.51 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1pma h ALA 30 CO -0.18 -0.26 -0.31 -0.39 0.00 0.00 0.00 179.25 178.11 1pma h VAL 31 N 0.59 0.84 0.00 0.00 -1.51 -1.28 -2.58 116.25 112.31 1pma h VAL 31 Ca 0.64 -1.25 -0.08 0.00 -1.23 0.00 0.00 66.70 64.78 1pma h VAL 31 Cb 1.22 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 32.13 1pma h VAL 31 CO -0.47 0.30 -0.40 0.11 -1.23 0.00 0.00 177.57 175.88 1pma h LYS 32 N 0.00 0.00 -0.18 5.19 1.57 0.23 -2.60 116.57 120.78 1pma h LYS 32 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pma h LYS 32 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1pma h LYS 32 CO 0.04 0.40 0.00 1.63 -0.57 0.00 0.00 179.45 180.95 1pma n LYS 33 N -3.90 1.42 -2.68 3.15 5.02 -0.97 -3.41 118.16 116.78 1pma n LYS 33 Ca -0.01 -0.65 -0.23 0.00 -2.02 0.00 0.00 58.31 55.40 1pma n LYS 33 Cb 0.45 -1.15 0.10 0.00 -0.02 0.00 0.00 35.03 34.42 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 -1.02 1.75 1.02 0.72 0.00 -0.98 -4.94 107.32 103.87 1pma s GLY 34 Ca 0.13 -1.85 -0.12 0.00 0.00 0.00 0.00 44.72 42.87 1pma s GLY 34 CO 0.09 -1.28 1.08 -0.45 0.00 0.00 0.00 173.10 172.53 1pma s SER 35 N -4.75 2.39 -0.08 1.64 0.15 -1.26 -2.14 113.70 109.66 1pma s SER 35 Ca 0.66 1.29 -0.03 0.00 0.70 0.00 0.00 55.95 58.56 1pma s SER 35 Cb -0.05 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.25 1pma s SER 35 CO 0.44 -3.29 0.08 0.28 1.20 0.00 0.00 173.24 171.94 1pma s THR 36 N -2.87 4.89 0.14 6.45 -1.32 -1.26 -2.71 115.64 118.96 1pma s THR 36 Ca 0.66 -0.11 -0.16 0.00 -1.21 0.00 0.00 61.69 60.87 1pma s THR 36 Cb -0.20 -3.13 0.03 0.00 -1.51 0.00 0.00 72.50 67.69 1pma s THR 36 CO 0.59 0.54 0.42 0.00 -2.21 0.00 0.00 174.62 173.96 1pma s ALA 37 N -1.02 -0.89 0.29 11.08 0.00 -0.10 -1.31 121.76 129.80 1pma s ALA 37 Ca 0.17 -0.13 -0.18 0.00 0.00 0.00 0.00 51.96 51.82 1pma s ALA 37 Cb -0.12 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.76 1pma s ALA 37 CO 0.06 -0.68 0.67 -0.48 0.00 0.00 0.00 175.76 175.34 1pma s LEU 38 N -2.83 -0.09 0.10 0.00 2.34 0.36 0.64 118.68 119.20 1pma s LEU 38 Ca 0.05 -0.74 -0.25 0.00 0.06 0.00 0.00 54.13 53.24 1pma s LEU 38 Cb 0.01 2.53 0.07 0.00 -0.56 0.00 0.00 46.19 48.24 1pma s LEU 38 CO -0.10 -1.34 0.64 -0.83 -1.06 0.00 0.00 176.35 173.66 1pma s GLY 39 N -2.96 -0.60 -0.07 -3.48 0.00 0.16 -0.59 107.32 99.78 1pma s GLY 39 Ca 0.14 0.72 -0.26 0.00 0.00 0.00 0.00 44.72 45.32 1pma s GLY 39 CO 0.08 0.36 0.59 -3.16 0.00 0.00 0.00 173.10 170.98 1pma s MET 40 N -3.10 0.93 0.40 2.90 0.23 -0.76 -0.84 119.30 119.06 1pma s MET 40 Ca -0.02 0.24 -0.23 0.00 -1.03 0.00 0.00 55.69 54.65 1pma s MET 40 Cb -0.01 0.44 -0.10 0.00 -1.53 0.00 0.00 34.83 33.63 1pma s MET 40 CO -0.07 -0.27 0.99 0.15 -2.03 0.00 0.00 175.02 173.79 1pma s LYS 41 N -1.03 4.24 0.00 3.16 1.02 0.48 -1.89 119.74 125.71 1pma s LYS 41 Ca -0.10 1.31 0.00 0.00 0.02 0.00 0.00 55.97 57.20 1pma s LYS 41 Cb -0.02 -2.42 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1pma s LYS 41 CO 0.08 -0.04 0.00 1.97 -0.92 0.00 0.00 175.35 176.44 1pma n PHE 42 N -0.23 0.00 0.00 3.18 1.16 -0.30 -4.84 117.46 116.43 1pma n PHE 42 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.63 1pma n PHE 42 Cb 0.52 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.39 1pma n PHE 42 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1pma n ALA 43 N -3.00 0.00 -2.51 1.98 0.00 0.21 -3.73 120.51 113.47 1pma n ALA 43 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1pma n ALA 43 Cb 0.00 0.13 0.05 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.96 2.03 0.00 0.00 4.05 -1.26 -4.98 115.26 114.13 1pma n ASN 44 Ca 0.00 -2.48 0.00 0.00 0.45 0.00 0.00 54.58 52.55 1pma n ASN 44 Cb 0.00 -0.42 0.00 0.00 1.23 0.00 0.00 39.78 40.59 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 -0.39 2.26 3.26 8.20 0.00 -1.24 -0.47 105.19 116.80 1pma n GLY 45 Ca 0.14 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1pma n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pma s VAL 46 N -2.63 0.06 0.08 1.61 0.11 -0.52 -1.15 120.40 117.95 1pma s VAL 46 Ca 0.00 -0.46 0.03 0.00 -2.93 0.00 0.00 61.98 58.62 1pma s VAL 46 Cb 0.00 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1pma s VAL 46 CO 0.00 -0.25 -0.09 -1.48 -3.33 0.00 0.00 175.10 169.95 1pma s LEU 47 N -1.39 2.37 0.14 2.54 2.34 -0.79 -1.80 118.68 122.09 1pma s LEU 47 Ca -0.13 -0.76 0.11 0.00 0.06 0.00 0.00 54.13 53.41 1pma s LEU 47 Cb -0.04 -0.21 -0.04 0.00 -0.56 0.00 0.00 46.19 45.34 1pma s LEU 47 CO 0.04 -0.28 -0.25 -0.22 -1.06 0.00 0.00 176.35 174.58 1pma s LEU 48 N -2.24 2.42 -0.21 1.48 2.96 -0.13 -1.83 118.68 121.12 1pma s LEU 48 Ca 0.01 -0.74 -0.11 0.00 -0.22 0.00 0.00 54.13 53.07 1pma s LEU 48 Cb -0.04 -1.27 0.07 0.00 0.50 0.00 0.00 46.19 45.44 1pma s LEU 48 CO -0.01 0.17 0.51 -0.51 -1.32 0.00 0.00 176.35 175.19 1pma s ILE 49 N -1.20 -0.04 0.04 6.68 1.10 0.24 -2.09 121.20 125.93 1pma s ILE 49 Ca 0.16 0.06 0.05 0.00 -0.51 0.00 0.00 60.65 60.42 1pma s ILE 49 Cb -0.10 -0.75 -0.02 0.00 0.15 0.00 0.00 42.46 41.74 1pma s ILE 49 CO 0.08 0.03 -0.15 -0.55 -2.11 0.00 0.00 174.94 172.23 1pma s SER 50 N 1.52 1.82 -0.43 4.50 0.15 0.57 -0.49 113.70 121.35 1pma s SER 50 Ca -0.10 -0.46 -0.25 0.00 0.70 0.00 0.00 55.95 55.84 1pma s SER 50 Cb -0.07 -0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.13 1pma s SER 50 CO -0.15 0.06 0.91 -0.62 1.20 0.00 0.00 173.24 174.64 1pma s ASP 51 N -1.11 6.55 -0.98 5.45 2.15 -0.43 0.16 116.67 128.46 1pma s ASP 51 Ca 0.03 0.25 -0.17 0.00 0.43 0.00 0.00 52.55 53.10 1pma s ASP 51 Cb -0.08 -2.45 0.16 0.00 -0.30 0.00 0.00 42.92 40.25 1pma s ASP 51 CO 0.01 -0.97 1.14 -0.75 -0.17 0.00 0.00 175.17 174.43 1pma s LYS 52 N 3.62 3.73 -0.34 4.34 2.20 -1.23 -4.64 119.74 127.42 1pma s LYS 52 Ca 0.37 -2.10 -0.22 0.00 -0.36 0.00 0.00 55.97 53.66 1pma s LYS 52 Cb -0.11 -4.86 0.00 0.00 -1.51 0.00 0.00 37.83 31.35 1pma s LYS 52 CO 0.23 -1.68 0.71 0.15 -0.36 0.00 0.00 175.35 174.40 1pma s LYS 53 N 1.90 3.81 0.15 4.03 1.02 -1.26 -4.10 119.74 125.29 1pma s LYS 53 Ca 0.33 0.29 0.05 0.00 0.02 0.00 0.00 55.97 56.66 1pma s LYS 53 Cb -0.05 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.44 1pma s LYS 53 CO -0.07 -0.72 0.10 0.54 -0.92 0.00 0.00 175.35 174.27 1pma s VAL 54 N 2.84 4.33 0.00 3.17 0.11 -1.26 -5.11 120.40 124.49 1pma s VAL 54 Ca 0.28 -1.08 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 1pma s VAL 54 Cb -0.14 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 31.53 1pma s VAL 54 CO 0.14 -0.06 0.00 -1.14 -3.33 0.00 0.00 175.10 170.72 1pma n ARG 55 N -0.12 0.00 -1.07 1.54 3.00 -1.26 -5.09 116.66 113.66 1pma n ARG 55 Ca -0.09 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.44 1pma n ARG 55 Cb 0.54 0.00 0.12 0.00 0.00 0.00 0.00 32.46 33.12 1pma n ARG 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1pma s SER 56 N -0.35 3.75 0.39 6.15 0.15 -1.26 -4.93 113.70 117.61 1pma s SER 56 Ca 0.00 2.11 0.21 0.00 0.70 0.00 0.00 55.95 58.97 1pma s SER 56 Cb 0.00 -2.56 0.46 0.00 -1.71 0.00 0.00 66.02 62.21 1pma s SER 56 CO 0.00 -2.55 1.63 0.03 1.20 0.00 0.00 173.24 173.55 1pma h ARG 57 N -1.22 0.00 0.00 5.44 3.08 -2.07 -3.16 114.38 116.44 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 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1pma h ARG 57 CO 0.47 0.25 0.00 1.28 -1.07 0.00 0.00 179.97 180.89 1pma n LEU 58 N -3.22 0.00 -4.76 3.04 4.32 -1.26 -4.78 117.00 110.35 1pma n LEU 58 Ca 0.02 0.34 -0.40 0.00 -0.02 0.00 0.00 56.01 55.96 1pma n LEU 58 Cb 0.57 -0.34 -0.06 0.00 -1.62 0.00 0.00 43.42 41.96 1pma n LEU 58 CO 0.36 -0.15 0.64 -0.63 -1.22 0.00 0.00 177.39 176.39 1pma s ILE 59 N -2.69 4.11 0.00 -0.08 -1.09 -1.20 -4.93 121.20 115.33 1pma s ILE 59 Ca 0.14 2.03 -0.04 0.00 -2.23 0.00 0.00 60.65 60.54 1pma s ILE 59 Cb 0.12 -4.28 -0.20 0.00 -1.58 0.00 0.00 42.46 36.52 1pma s ILE 59 CO 0.28 0.46 2.91 -0.62 -1.23 0.00 0.00 174.94 176.74 1pma n GLU 60 N 1.40 1.55 0.00 2.79 -0.58 -1.26 -4.94 120.64 119.59 1pma n GLU 60 Ca -0.02 -0.74 0.00 0.00 -0.42 0.00 0.00 57.16 55.98 1pma n GLU 60 Cb 0.47 -1.84 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 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 2.52 0.00 -0.28 3.49 -0.00 -1.26 -1.95 117.38 119.90 1pma n GLN 61 Ca 0.32 0.00 0.25 0.00 -0.00 0.00 0.00 57.00 57.57 1pma n GLN 61 Cb 0.72 0.00 0.45 0.00 -0.00 0.00 0.00 30.24 31.40 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 1.08 0.19 -0.10 2.61 2.85 -1.26 -1.29 115.26 119.34 1pma n ASN 62 Ca 0.00 1.06 0.26 0.00 -0.11 0.00 0.00 54.58 55.79 1pma n ASN 62 Cb 0.00 -0.52 0.57 0.00 1.24 0.00 0.00 39.78 41.08 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 -1.06 1.20 0.02 -1.81 -1.78 113.55 110.12 1pma h SER 63 Ca 0.61 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.87 1pma h SER 63 Cb 1.79 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 64.21 1pma h SER 63 CO -0.42 0.00 2.11 0.00 -1.14 0.00 0.00 176.83 177.38 1pma n ILE 64 N -3.44 4.85 -2.27 3.27 3.06 -0.41 -4.96 119.36 119.46 1pma n ILE 64 Ca 0.17 -3.97 -0.42 0.00 -2.50 0.00 0.00 62.75 56.03 1pma n ILE 64 Cb 1.18 -2.02 -0.03 0.00 0.54 0.00 0.00 39.64 39.31 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 -1.05 4.35 -0.18 9.51 0.41 -0.67 -4.91 118.70 126.17 1pma s GLU 65 Ca 0.56 1.94 0.13 0.00 -0.41 0.00 0.00 54.97 57.18 1pma s GLU 65 Cb 0.22 -3.34 -0.23 0.00 -1.78 0.00 0.00 34.13 28.99 1pma s GLU 65 CO -0.11 -0.40 0.15 1.63 -0.49 0.00 0.00 175.26 176.04 1pma n LYS 66 N 4.21 0.68 -3.12 1.61 5.02 -1.26 -4.83 118.16 120.46 1pma n LYS 66 Ca 0.11 0.09 -0.42 0.00 -2.02 0.00 0.00 58.31 56.08 1pma n LYS 66 Cb 0.44 -1.58 -0.07 0.00 -0.02 0.00 0.00 35.03 33.80 1pma n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pma s ILE 67 N -2.52 4.91 -0.03 -0.18 1.01 -1.26 -4.01 121.20 119.13 1pma s ILE 67 Ca -0.14 0.63 0.07 0.00 0.00 0.00 0.00 60.65 61.20 1pma s ILE 67 Cb 0.07 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 1pma s ILE 67 CO 0.78 -0.27 -0.24 -1.10 0.00 0.00 0.00 174.94 174.12 1pma s GLN 68 N 2.66 2.19 0.29 2.79 -0.21 -0.02 -4.97 119.66 122.39 1pma s GLN 68 Ca 0.24 -0.89 -0.21 0.00 0.02 0.00 0.00 55.36 54.52 1pma s GLN 68 Cb -0.15 -2.11 -0.09 0.00 1.00 0.00 0.00 33.01 31.67 1pma s GLN 68 CO 0.14 0.57 0.82 -0.51 -2.12 0.00 0.00 175.29 174.18 1pma s LEU 69 N -0.62 4.27 -0.07 2.90 1.43 -1.26 -0.85 118.68 124.48 1pma s LEU 69 Ca 0.10 1.56 0.14 0.00 -1.03 0.00 0.00 54.13 54.90 1pma s LEU 69 Cb -0.10 -3.88 -0.21 0.00 0.03 0.00 0.00 46.19 42.03 1pma s LEU 69 CO -0.01 -0.07 0.22 -0.38 0.23 0.00 0.00 176.35 176.35 1pma n ILE 70 N 0.40 0.37 -3.61 -0.59 5.41 0.36 -4.90 119.36 116.80 1pma n ILE 70 Ca 0.01 -0.44 -0.04 0.00 1.00 0.00 0.00 62.75 63.27 1pma n ILE 70 Cb 0.51 -0.15 -0.03 0.00 -0.71 0.00 0.00 39.64 39.27 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 -4.13 -0.13 0.63 4.38 2.15 -0.99 -4.81 116.67 113.78 1pma s ASP 71 Ca -0.06 0.06 0.20 0.00 0.43 0.00 0.00 52.55 53.18 1pma s ASP 71 Cb 0.08 0.12 0.93 0.00 -0.30 0.00 0.00 42.92 43.74 1pma s ASP 71 CO 0.61 -0.17 1.47 0.44 -0.17 0.00 0.00 175.17 177.36 1pma h ASP 72 N 2.08 0.00 -0.26 -0.34 3.32 -1.99 0.36 116.42 119.59 1pma h ASP 72 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 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 0.23 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.53 1pma n TYR 73 N -3.04 0.34 -3.70 4.55 4.02 -1.26 -1.31 117.16 116.77 1pma n TYR 73 Ca 0.08 -0.50 -0.11 0.00 -0.01 0.00 0.00 57.90 57.36 1pma n TYR 73 Cb 0.94 -0.03 -0.10 0.00 -0.02 0.00 0.00 39.34 40.13 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 -1.00 -0.01 0.23 -0.72 0.11 0.12 -2.50 120.40 116.62 1pma s VAL 74 Ca 0.17 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.31 1pma s VAL 74 Cb 0.09 -0.65 -0.05 0.00 -1.53 0.00 0.00 36.38 34.24 1pma s VAL 74 CO 0.12 0.02 0.01 0.00 -3.33 0.00 0.00 175.10 171.92 1pma s ALA 75 N 0.99 1.74 0.04 1.54 0.00 -0.35 -0.48 121.76 125.24 1pma s ALA 75 Ca -0.06 -1.75 -0.08 0.00 0.00 0.00 0.00 51.96 50.06 1pma s ALA 75 Cb -0.06 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.61 1pma s ALA 75 CO -0.08 -0.28 0.17 0.00 0.00 0.00 0.00 175.76 175.57 1pma s ALA 76 N -3.48 -0.29 0.03 0.00 0.00 -0.03 -1.64 121.76 116.35 1pma s ALA 76 Ca 0.29 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.95 1pma s ALA 76 Cb 0.06 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 1pma s ALA 76 CO 0.08 -0.34 -0.12 0.54 0.00 0.00 0.00 175.76 175.92 1pma s VAL 77 N -2.51 0.94 0.19 0.00 0.11 -0.80 -0.84 120.40 117.49 1pma s VAL 77 Ca -0.06 -0.90 0.05 0.00 -2.93 0.00 0.00 61.98 58.14 1pma s VAL 77 Cb -0.01 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.93 1pma s VAL 77 CO -0.04 -0.03 -0.07 0.28 -3.33 0.00 0.00 175.10 171.92 1pma s THR 78 N -0.82 1.22 -0.12 5.04 -1.32 -1.26 -1.20 115.64 117.18 1pma s THR 78 Ca -0.00 -2.07 -0.08 0.00 -1.21 0.00 0.00 61.69 58.32 1pma s THR 78 Cb -0.07 -2.08 0.04 0.00 -1.51 0.00 0.00 72.50 68.88 1pma s THR 78 CO 0.01 -0.55 0.31 -0.55 -2.21 0.00 0.00 174.62 171.62 1pma s SER 79 N -3.25 -0.34 0.00 8.08 0.15 -0.16 -4.93 113.70 113.25 1pma s SER 79 Ca 0.22 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1pma s SER 79 Cb 0.03 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1pma s SER 79 CO 0.05 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1pma n GLY 80 N 3.69 0.46 3.59 9.45 0.00 -1.26 -1.75 105.19 119.38 1pma n GLY 80 Ca -0.20 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 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 3.46 0.25 0.99 2.01 0.96 -4.87 118.68 121.48 1pma s LEU 81 Ca 0.00 1.50 -0.05 0.00 0.01 0.00 0.00 54.13 55.59 1pma s LEU 81 Cb 0.00 -3.39 0.48 0.00 0.01 0.00 0.00 46.19 43.29 1pma s LEU 81 CO 0.00 -1.95 1.67 1.62 1.01 0.00 0.00 176.35 178.70 1pma h VAL 82 N 7.04 0.47 0.73 -1.59 3.04 -1.95 0.26 116.25 124.24 1pma h VAL 82 Ca -0.36 -0.08 -0.03 0.00 -1.01 0.00 0.00 66.70 65.22 1pma h VAL 82 Cb 1.21 0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.70 1pma h VAL 82 CO 1.02 0.04 -0.42 0.00 -1.01 0.00 0.00 177.57 177.20 1pma h ALA 83 N 1.64 -1.10 -0.55 3.17 0.00 -1.97 -1.28 119.26 119.17 1pma h ALA 83 Ca 0.43 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.23 1pma h ALA 83 Cb 0.75 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1pma h ALA 83 CO -0.55 -1.13 -0.09 -0.44 0.00 0.00 0.00 179.25 177.04 1pma h ASP 84 N -1.07 -0.42 -0.26 0.00 5.19 -1.67 -0.84 116.42 117.35 1pma h ASP 84 Ca -0.10 0.16 0.06 0.00 -0.62 0.00 0.00 57.03 56.53 1pma h ASP 84 Cb 0.86 0.31 -0.07 0.00 0.18 0.00 0.00 39.33 40.60 1pma h ASP 84 CO 0.11 -0.15 -0.29 0.00 -3.12 0.00 0.00 179.24 175.79 1pma h ALA 85 N 1.54 -0.21 0.13 3.45 0.00 -0.25 -1.09 119.26 122.83 1pma h ALA 85 Ca 0.27 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1pma h ALA 85 Cb 0.43 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1pma h ALA 85 CO -0.54 -0.72 -0.47 -0.09 0.00 0.00 0.00 179.25 177.44 1pma h ARG 86 N -0.29 -0.68 -0.96 0.00 2.43 0.04 0.12 114.38 115.05 1pma h ARG 86 Ca 0.14 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.46 1pma h ARG 86 Cb 0.51 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.13 1pma h ARG 86 CO -0.42 -0.45 0.59 -0.24 -1.51 0.00 0.00 179.97 177.94 1pma h VAL 87 N -0.71 0.93 -0.43 0.20 3.04 -1.31 -0.64 116.25 117.33 1pma h VAL 87 Ca 0.01 -0.33 -0.01 0.00 -1.01 0.00 0.00 66.70 65.36 1pma h VAL 87 Cb 0.72 -0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 29.87 1pma h VAL 87 CO -0.26 0.17 0.23 0.25 -1.01 0.00 0.00 177.57 176.96 1pma h LEU 88 N 0.96 0.54 0.32 3.16 5.85 -0.21 -1.44 115.31 124.49 1pma h LEU 88 Ca 0.47 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 1pma h LEU 88 Cb 0.43 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1pma h LEU 88 CO -0.25 0.48 -0.21 0.58 -0.34 0.00 0.00 178.44 178.69 1pma h VAL 89 N 0.56 0.56 -0.97 1.05 2.07 0.57 -1.48 116.25 118.61 1pma h VAL 89 Ca 0.15 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.81 1pma h VAL 89 Cb 0.06 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.30 1pma h VAL 89 CO -0.02 0.00 0.61 0.44 0.02 0.00 0.00 177.57 178.62 1pma h ASP 90 N -0.52 0.83 -0.44 0.57 3.32 -1.03 0.26 116.42 119.42 1pma h ASP 90 Ca -0.03 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.10 1pma h ASP 90 Cb 0.44 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1pma h ASP 90 CO 0.02 0.42 0.23 0.15 -1.72 0.00 0.00 179.24 178.34 1pma h PHE 91 N 0.88 0.42 -1.00 4.55 3.57 -0.71 -0.08 116.94 124.57 1pma h PHE 91 Ca 0.49 0.02 0.02 0.00 3.53 0.00 0.00 57.97 62.02 1pma h PHE 91 Cb 0.60 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 1pma h PHE 91 CO -0.00 0.22 0.66 0.00 -2.23 0.00 0.00 178.31 176.95 1pma h ALA 92 N 1.23 1.30 -0.08 2.41 0.00 0.44 -1.07 119.26 123.49 1pma h ALA 92 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1pma h ALA 92 Cb 0.08 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1pma h ALA 92 CO -0.12 0.64 0.05 0.00 0.00 0.00 0.00 179.25 179.81 1pma h ARG 93 N 1.33 0.09 -0.06 0.00 3.08 0.84 0.96 114.38 120.62 1pma h ARG 93 Ca 0.37 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.25 1pma h ARG 93 Cb -0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1pma h ARG 93 CO -0.09 0.06 -0.67 -0.84 -1.07 0.00 0.00 179.97 177.36 1pma h ILE 94 N 0.10 1.40 -0.87 2.04 3.07 -1.06 -2.72 117.51 119.47 1pma h ILE 94 Ca 0.03 -2.12 -0.02 0.00 1.55 0.00 0.00 64.86 64.30 1pma h ILE 94 Cb -0.01 2.10 -0.04 0.00 -0.27 0.00 0.00 36.82 38.60 1pma h ILE 94 CO -0.01 0.63 0.47 -1.28 -1.05 0.00 0.00 178.15 176.90 1pma h SER 95 N 0.19 1.09 -0.07 2.16 0.87 -0.80 0.10 113.55 117.09 1pma h SER 95 Ca -0.02 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1pma h SER 95 Cb 1.21 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1pma h SER 95 CO 0.11 0.88 0.04 0.00 -0.53 0.00 0.00 176.83 177.33 1pma h ALA 96 N 1.29 0.08 -0.80 6.23 0.00 -0.68 -2.52 119.26 122.87 1pma h ALA 96 Ca 0.30 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1pma h ALA 96 Cb 0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1pma h ALA 96 CO -0.05 -0.43 0.51 1.96 0.00 0.00 0.00 179.25 181.25 1pma h GLN 97 N 0.09 0.99 -0.03 0.00 1.08 -1.06 -2.79 115.11 113.39 1pma h GLN 97 Ca 0.03 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.19 1pma h GLN 97 Cb -0.00 -0.22 -0.06 0.00 -0.05 0.00 0.00 27.48 27.14 1pma h GLN 97 CO -0.01 0.65 -0.50 1.96 -0.95 0.00 0.00 178.83 179.99 1pma h GLN 98 N 1.02 -0.60 -0.48 1.46 4.20 -0.40 -1.12 115.11 119.18 1pma h GLN 98 Ca 0.31 0.04 0.08 0.00 0.06 0.00 0.00 58.65 59.14 1pma h GLN 98 Cb -0.03 0.14 -0.07 0.00 0.30 0.00 0.00 27.48 27.82 1pma h GLN 98 CO -0.10 -0.40 0.09 1.49 -0.67 0.00 0.00 178.83 179.24 1pma h GLU 99 N -0.62 0.22 -0.49 1.46 4.81 -1.32 -1.92 114.58 116.72 1pma h GLU 99 Ca 0.03 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1pma h GLU 99 Cb 0.70 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 1pma h GLU 99 CO -0.36 0.14 0.13 0.87 -0.73 0.00 0.00 179.01 179.06 1pma h LYS 100 N 0.22 0.27 0.00 1.92 1.57 -1.17 0.22 116.57 119.60 1pma h LYS 100 Ca 0.24 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1pma h LYS 100 Cb 0.32 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1pma h LYS 100 CO -0.32 0.18 -0.11 -0.24 -0.57 0.00 0.00 179.45 178.38 1pma h VAL 101 N 0.27 0.29 0.04 0.50 3.04 -0.51 1.06 116.25 120.94 1pma h VAL 101 Ca 0.24 -0.80 -0.38 0.00 -1.01 0.00 0.00 66.70 64.75 1pma h VAL 101 Cb 0.29 1.63 -0.05 0.00 -2.01 0.00 0.00 31.29 31.15 1pma h VAL 101 CO -0.29 0.11 -2.30 1.07 -1.01 0.00 0.00 177.57 175.15 1pma n THR 102 N -3.26 1.58 0.69 3.17 5.66 -0.76 -4.54 114.28 116.83 1pma n THR 102 Ca 0.00 -0.62 0.10 0.00 -3.05 0.00 0.00 64.05 60.48 1pma n THR 102 Cb 0.36 -1.45 -0.13 0.00 -1.55 0.00 0.00 70.33 67.56 1pma n THR 102 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1pma n TYR 103 N -3.29 0.00 -0.88 1.09 4.01 0.69 -4.97 117.16 113.80 1pma n TYR 103 Ca -0.40 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 1pma n TYR 103 Cb 1.02 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.91 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 1.43 0.85 3.65 2.72 0.00 0.37 -4.97 105.19 109.23 1pma n GLY 104 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.75 -0.09 -0.91 1.61 0.15 -1.20 -4.95 113.70 105.57 1pma s SER 105 Ca 0.00 0.15 -0.24 0.00 0.70 0.00 0.00 55.95 56.56 1pma s SER 105 Cb 0.00 0.69 0.05 0.00 -1.71 0.00 0.00 66.02 65.05 1pma s SER 105 CO 0.00 -0.03 1.36 -0.22 1.20 0.00 0.00 173.24 175.55 1pma s LEU 106 N 0.66 3.49 -0.07 3.45 2.96 -1.26 -4.69 118.68 123.23 1pma s LEU 106 Ca -0.02 -1.12 -0.27 0.00 -0.22 0.00 0.00 54.13 52.50 1pma s LEU 106 Cb -0.03 -2.55 -0.23 0.00 0.50 0.00 0.00 46.19 43.88 1pma s LEU 106 CO -0.12 -1.60 1.06 1.62 -1.32 0.00 0.00 176.35 175.99 1pma h VAL 107 N 6.45 1.56 -3.66 1.68 3.04 -1.97 -3.42 116.25 119.93 1pma h VAL 107 Ca 0.01 -1.67 -0.63 0.00 -1.01 0.00 0.00 66.70 63.40 1pma h VAL 107 Cb 1.03 2.67 -0.37 0.00 -2.01 0.00 0.00 31.29 32.61 1pma h VAL 107 CO 1.35 0.44 -0.80 0.21 -1.01 0.00 0.00 177.57 177.76 1pma s ASN 108 N -5.95 3.95 0.42 3.17 3.84 -1.26 -1.11 114.94 118.00 1pma s ASN 108 Ca -0.17 -1.18 0.08 0.00 0.21 0.00 0.00 52.86 51.80 1pma s ASN 108 Cb -0.00 -1.33 0.91 0.00 -0.55 0.00 0.00 41.25 40.28 1pma s ASN 108 CO 0.69 -0.20 2.06 -0.29 -2.79 0.00 0.00 177.10 176.58 1pma h ILE 109 N 6.63 1.08 -1.02 -5.21 2.10 -1.96 -1.64 117.51 117.49 1pma h ILE 109 Ca -0.21 -0.17 0.27 0.00 1.08 0.00 0.00 64.86 65.83 1pma h ILE 109 Cb 1.07 0.54 -0.07 0.00 -1.09 0.00 0.00 36.82 37.27 1pma h ILE 109 CO 0.45 0.09 0.68 -0.08 -1.08 0.00 0.00 178.15 178.21 1pma h GLU 110 N 0.49 0.28 -0.43 2.19 4.81 -2.00 0.53 114.58 120.45 1pma h GLU 110 Ca 0.14 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 1pma h GLU 110 Cb -0.02 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1pma h GLU 110 CO -0.03 0.19 -0.14 -0.97 -0.73 0.00 0.00 179.01 177.32 1pma h ASN 111 N 0.29 0.87 -0.24 1.04 -0.73 -1.73 -1.73 115.58 113.35 1pma h ASN 111 Ca 0.55 -0.38 0.06 0.00 1.87 0.00 0.00 56.30 58.40 1pma h ASN 111 Cb 1.59 -0.24 -0.07 0.00 0.27 0.00 0.00 38.32 39.88 1pma h ASN 111 CO -0.19 1.05 -0.21 0.25 -0.37 0.00 0.00 177.43 177.96 1pma h LEU 112 N 0.68 -0.67 -0.59 0.34 5.85 -0.05 -0.41 115.31 120.47 1pma h LEU 112 Ca 0.11 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1pma h LEU 112 Cb 0.69 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1pma h LEU 112 CO 0.05 -0.25 0.23 1.62 -0.34 0.00 0.00 178.44 179.75 1pma h VAL 113 N -0.21 1.23 -0.92 1.05 3.04 -1.49 -2.07 116.25 116.88 1pma h VAL 113 Ca 0.14 -0.71 0.15 0.00 -1.01 0.00 0.00 66.70 65.26 1pma h VAL 113 Cb 0.42 0.60 -0.09 0.00 -2.01 0.00 0.00 31.29 30.20 1pma h VAL 113 CO -0.36 0.28 0.53 0.11 -1.01 0.00 0.00 177.57 177.12 1pma h LYS 114 N 0.81 0.74 -0.56 4.17 1.57 -0.21 0.83 116.57 123.93 1pma h LYS 114 Ca 0.20 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1pma h LYS 114 Cb 0.21 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1pma h LYS 114 CO -0.02 0.49 0.05 -0.09 -0.57 0.00 0.00 179.45 179.31 1pma h ARG 115 N 0.77 0.95 -0.15 3.15 2.43 -0.45 0.22 114.38 121.30 1pma h ARG 115 Ca 0.49 -0.28 -0.11 0.00 -0.81 0.00 0.00 59.98 59.27 1pma h ARG 115 Cb 0.64 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1pma h ARG 115 CO -0.33 0.94 -0.40 -0.24 -1.51 0.00 0.00 179.97 178.43 1pma h VAL 116 N 0.84 1.30 -0.18 0.20 3.04 -0.95 -2.67 116.25 117.83 1pma h VAL 116 Ca 0.16 -1.51 -0.02 0.00 -1.01 0.00 0.00 66.70 64.32 1pma h VAL 116 Cb 0.48 1.63 -0.01 0.00 -2.01 0.00 0.00 31.29 31.38 1pma h VAL 116 CO 0.02 0.46 0.02 0.00 -1.01 0.00 0.00 177.57 177.06 1pma h ALA 117 N 1.31 0.24 -0.96 3.17 0.00 -0.31 -2.40 119.26 120.31 1pma h ALA 117 Ca 0.03 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1pma h ALA 117 Cb 0.82 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1pma h ALA 117 CO 0.07 -0.09 0.62 -0.44 0.00 0.00 0.00 179.25 179.41 1pma h ASP 118 N 0.08 0.99 -0.12 0.00 5.19 -0.93 0.13 116.42 121.76 1pma h ASP 118 Ca 0.05 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.51 1pma h ASP 118 Cb 0.32 -0.21 -0.06 0.00 0.18 0.00 0.00 39.33 39.56 1pma h ASP 118 CO 0.00 0.65 -0.34 -0.61 -3.12 0.00 0.00 179.24 175.82 1pma h GLN 119 N 1.13 -0.41 -0.09 3.56 -0.00 -1.10 -0.18 115.11 118.01 1pma h GLN 119 Ca 0.40 0.03 0.02 0.00 -0.00 0.00 0.00 58.65 59.10 1pma h GLN 119 Cb 0.13 0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.69 1pma h GLN 119 CO -0.15 -0.27 -0.04 0.52 0.00 0.00 0.00 178.83 178.89 1pma h MET 120 N -0.42 -0.02 -0.96 1.69 2.86 -0.78 -1.78 114.93 115.50 1pma h MET 120 Ca 0.09 0.00 0.22 0.00 -2.06 0.00 0.00 59.70 57.95 1pma h MET 120 Cb 0.57 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.15 1pma h MET 120 CO -0.36 -0.02 0.63 0.37 1.06 0.00 0.00 176.91 178.60 1pma h GLN 121 N -0.02 0.42 -0.55 1.72 -0.00 -0.04 -0.63 115.11 116.01 1pma h GLN 121 Ca 0.05 -0.03 0.06 0.00 -0.00 0.00 0.00 58.65 58.73 1pma h GLN 121 Cb 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 27.48 27.43 1pma h GLN 121 CO -0.11 0.28 0.26 1.96 0.00 0.00 0.00 178.83 181.22 1pma h GLN 122 N 0.43 0.48 0.00 1.69 4.20 -0.13 0.15 115.11 121.94 1pma h GLN 122 Ca 0.52 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.20 1pma h GLN 122 Cb 1.27 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1pma h GLN 122 CO -0.23 0.32 0.00 0.66 -0.67 0.00 0.00 178.83 178.91 1pma n TYR 123 N -4.90 0.00 0.16 2.96 4.02 -0.25 -0.70 117.16 118.44 1pma n TYR 123 Ca 0.06 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.02 1pma n TYR 123 Cb 0.17 -0.15 0.07 0.00 -0.02 0.00 0.00 39.34 39.41 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 0.36 0.00 -0.72 2.02 -0.63 -3.40 112.91 110.54 1pma h THR 124 Ca 0.00 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1pma h THR 124 Cb 0.07 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1pma h THR 124 CO 0.00 0.21 0.00 0.00 0.37 0.00 0.00 175.52 176.10 1pma n GLN 125 N -3.06 2.59 -1.04 6.66 10.64 0.12 -4.88 117.38 128.40 1pma n GLN 125 Ca 0.01 -0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.04 1pma n GLN 125 Cb 0.64 -0.20 -0.11 0.00 -0.86 0.00 0.00 30.24 29.71 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 -0.37 0.47 -1.74 2.61 4.01 -0.41 -4.98 117.16 116.75 1pma n TYR 126 Ca 0.00 -1.57 0.00 0.00 -0.16 0.00 0.00 57.90 56.17 1pma n TYR 126 Cb 0.00 -1.36 0.00 0.00 -0.31 0.00 0.00 39.34 37.67 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 1.85 2.74 3.09 2.72 0.00 -1.26 -4.57 105.19 109.76 1pma n GLY 127 Ca 0.38 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 0.16 3.65 -0.02 0.00 -1.26 -4.68 105.19 103.04 1pma n GLY 128 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 3.86 0.00 0.30 1.61 0.11 -1.26 -5.16 120.40 119.86 1pma s VAL 129 Ca 0.16 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.92 1pma s VAL 129 Cb 0.04 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.79 1pma s VAL 129 CO 0.08 0.00 1.15 -0.60 -3.33 0.00 0.00 175.10 172.40 1pma s ARG 130 N 0.93 4.52 0.54 1.54 3.52 -1.26 -4.93 118.95 123.81 1pma s ARG 130 Ca -0.05 1.90 -0.21 0.00 -0.13 0.00 0.00 55.73 57.24 1pma s ARG 130 Cb -0.03 -3.11 -0.05 0.00 -1.56 0.00 0.00 34.95 30.19 1pma s ARG 130 CO -0.12 0.08 1.21 -2.14 -0.81 0.00 0.00 175.30 173.52 1pma s PRO 131 N -1.61 3.30 -0.30 5.12 0.02 -1.26 -4.94 135.00 135.33 1pma s PRO 131 Ca 0.47 1.86 -0.28 0.00 0.02 0.00 0.00 61.00 63.06 1pma s PRO 131 Cb -0.33 -2.15 -0.02 0.00 0.02 0.00 0.00 34.50 32.02 1pma s PRO 131 CO 0.43 -0.95 1.80 0.71 -0.33 0.00 0.00 177.00 178.66 1pma s TYR 132 N -1.55 1.81 -1.44 6.54 1.51 -1.26 -4.86 117.35 118.09 1pma s TYR 132 Ca 0.71 0.58 -0.14 0.00 -1.01 0.00 0.00 57.07 57.22 1pma s TYR 132 Cb -0.31 -4.10 0.04 0.00 -0.11 0.00 0.00 41.96 37.47 1pma s TYR 132 CO 0.35 -3.06 2.22 0.41 -1.11 0.00 0.00 175.55 174.36 1pma n GLY 133 N 5.33 4.37 3.52 0.71 0.00 -1.26 -4.52 105.19 113.33 1pma n GLY 133 Ca 0.23 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 3.25 0.00 0.04 1.61 0.11 -1.26 -0.03 120.40 124.12 1pma s VAL 134 Ca 0.47 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.56 1pma s VAL 134 Cb 0.14 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 1pma s VAL 134 CO -0.08 0.00 -0.10 -0.44 -3.33 0.00 0.00 175.10 171.14 1pma s SER 135 N -1.69 1.17 0.15 3.54 0.01 -0.71 -2.70 113.70 113.47 1pma s SER 135 Ca -0.03 -0.48 -0.14 0.00 1.31 0.00 0.00 55.95 56.61 1pma s SER 135 Cb -0.01 -0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.22 1pma s SER 135 CO -0.00 -0.09 0.39 -1.48 0.41 0.00 0.00 173.24 172.46 1pma s LEU 136 N -1.32 0.55 -0.05 2.44 0.05 -0.26 -0.99 118.68 119.11 1pma s LEU 136 Ca -0.04 -0.53 0.03 0.00 0.05 0.00 0.00 54.13 53.64 1pma s LEU 136 Cb -0.08 1.69 0.00 0.00 -2.05 0.00 0.00 46.19 45.75 1pma s LEU 136 CO 0.01 -0.91 -0.13 0.27 -0.55 0.00 0.00 176.35 175.04 1pma s ILE 137 N -3.87 1.13 -0.00 1.48 -4.36 -0.34 0.13 121.20 115.36 1pma s ILE 137 Ca 0.08 -0.52 0.01 0.00 -0.26 0.00 0.00 60.65 59.95 1pma s ILE 137 Cb 0.02 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.69 1pma s ILE 137 CO -0.07 0.34 0.04 -0.36 0.24 0.00 0.00 174.94 175.13 1pma s PHE 138 N 0.31 3.18 -0.10 1.37 0.08 0.13 -1.90 117.98 121.05 1pma s PHE 138 Ca -0.07 0.14 -0.30 0.00 0.12 0.00 0.00 56.93 56.82 1pma s PHE 138 Cb -0.12 -1.70 0.07 0.00 -0.57 0.00 0.00 43.02 40.70 1pma s PHE 138 CO 0.02 0.51 0.71 0.00 -0.10 0.00 0.00 175.22 176.36 1pma s ALA 139 N -1.14 -1.79 0.00 5.36 0.00 -0.65 0.05 121.76 123.59 1pma s ALA 139 Ca 0.21 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1pma s ALA 139 Cb -0.12 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1pma s ALA 139 CO 0.12 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1pma n GLY 140 N 1.25 -1.85 3.27 0.00 0.00 -0.90 -1.21 105.19 105.75 1pma n GLY 140 Ca -0.17 -1.20 -0.33 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 -2.62 2.54 0.00 -0.61 -1.16 -1.04 -0.07 121.20 118.25 1pma s ILE 141 Ca 0.00 -0.83 0.00 0.00 -0.51 0.00 0.00 60.65 59.31 1pma s ILE 141 Cb 0.00 -2.04 0.00 0.00 0.61 0.00 0.00 42.46 41.03 1pma s ILE 141 CO 0.00 0.53 0.00 -0.90 -2.81 0.00 0.00 174.94 171.76 1pma n ASP 142 N 3.80 1.29 0.28 4.50 3.85 -0.54 -4.88 116.55 124.84 1pma n ASP 142 Ca -0.19 -0.64 0.16 0.00 -0.71 0.00 0.00 54.79 53.41 1pma n ASP 142 Cb 0.52 0.00 0.92 0.00 -1.35 0.00 0.00 41.12 41.21 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 0.11 0.11 5.75 -1.37 -1.98 115.11 117.73 1pma h GLN 143 Ca 0.00 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.18 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 0.00 -1.69 0.82 -2.65 0.00 0.00 178.83 175.31 1pma h ILE 144 N 0.00 0.95 0.00 2.39 2.04 -1.95 -3.51 117.51 117.43 1pma h ILE 144 Ca 0.02 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.24 1pma h ILE 144 Cb 0.15 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1pma h ILE 144 CO -0.00 0.79 0.00 0.61 0.00 0.00 0.00 178.15 179.55 1pma n GLY 145 N 1.75 0.18 3.77 5.37 0.00 -0.75 -5.08 105.19 110.42 1pma n GLY 145 Ca -0.21 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 1pma n GLY 145 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pma s PRO 146 N -2.00 4.15 0.03 1.61 0.02 -1.26 -1.47 135.00 136.07 1pma s PRO 146 Ca 0.00 2.53 0.02 0.00 0.02 0.00 0.00 61.00 63.57 1pma s PRO 146 Cb 0.00 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.49 1pma s PRO 146 CO 0.00 -0.53 -0.07 1.03 -0.33 0.00 0.00 177.00 177.10 1pma s ARG 147 N -1.38 0.50 -0.04 5.54 0.52 0.91 -4.90 118.95 120.10 1pma s ARG 147 Ca 0.57 -0.64 -0.02 0.00 -0.52 0.00 0.00 55.73 55.12 1pma s ARG 147 Cb -0.46 -0.31 0.03 0.00 0.52 0.00 0.00 34.95 34.73 1pma s ARG 147 CO 0.55 0.06 0.05 -1.17 0.02 0.00 0.00 175.30 174.82 1pma s LEU 148 N -1.28 0.33 0.09 2.53 2.96 -1.26 -2.11 118.68 119.94 1pma s LEU 148 Ca -0.08 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1pma s LEU 148 Cb -0.08 -0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.42 1pma s LEU 148 CO 0.00 -0.23 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.37 1pma s PHE 149 N 1.97 0.87 0.12 5.38 0.40 0.11 -1.79 117.98 125.04 1pma s PHE 149 Ca 0.03 -0.77 0.05 0.00 -0.60 0.00 0.00 56.93 55.63 1pma s PHE 149 Cb -0.12 -0.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.87 1pma s PHE 149 CO -0.03 -0.11 -0.12 0.16 0.70 0.00 0.00 175.22 175.83 1pma s ASP 150 N -2.61 1.78 -0.13 1.36 -4.77 -0.89 0.23 116.67 111.64 1pma s ASP 150 Ca 0.06 -0.87 -0.06 0.00 -3.30 0.00 0.00 52.55 48.38 1pma s ASP 150 Cb 0.00 -0.03 0.06 0.00 -1.09 0.00 0.00 42.92 41.86 1pma s ASP 150 CO -0.03 -0.23 0.30 0.00 0.70 0.00 0.00 175.17 175.92 1pma s ASP 152 N 1.74 5.46 0.56 0.00 -4.77 -0.97 -1.10 116.67 117.59 1pma s ASP 152 Ca -0.06 -0.58 0.27 0.00 -3.30 0.00 0.00 52.55 48.89 1pma s ASP 152 Cb -0.11 -0.31 1.48 0.00 -1.09 0.00 0.00 42.92 42.90 1pma s ASP 152 CO -0.10 -0.97 1.99 -0.65 0.70 0.00 0.00 175.17 176.14 1pma h PRO 153 N 0.47 0.00 0.00 2.11 0.11 -1.74 0.11 132.00 133.06 1pma h PRO 153 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1pma h PRO 153 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1pma h PRO 153 CO 0.43 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.22 1pma n ALA 154 N -2.49 1.94 -0.30 -0.75 0.00 -1.26 -4.65 120.51 112.99 1pma n ALA 154 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1pma n ALA 154 Cb 0.56 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.58 0.85 3.70 0.00 0.00 0.38 -4.41 105.19 106.29 1pma n GLY 155 Ca 0.04 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.77 -0.02 2.61 2.01 -1.25 -4.79 115.64 116.97 1pma s THR 156 Ca 0.00 2.01 0.06 0.00 0.31 0.00 0.00 61.69 64.07 1pma s THR 156 Cb 0.00 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.20 1pma s THR 156 CO 0.00 0.08 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.31 1pma s ILE 157 N 1.56 1.45 0.02 1.82 2.07 -1.26 -2.29 121.20 124.57 1pma s ILE 157 Ca 0.51 -0.78 -0.11 0.00 -1.41 0.00 0.00 60.65 58.86 1pma s ILE 157 Cb -0.20 -1.21 0.01 0.00 0.13 0.00 0.00 42.46 41.19 1pma s ILE 157 CO 0.23 0.41 0.22 0.20 -1.91 0.00 0.00 174.94 174.09 1pma s ASN 158 N -0.39 -0.04 -0.10 4.50 -0.87 -1.15 -5.01 114.94 111.88 1pma s ASN 158 Ca 0.06 -0.21 -0.04 0.00 -1.57 0.00 0.00 52.86 51.11 1pma s ASN 158 Cb -0.07 0.28 -0.04 0.00 -0.02 0.00 0.00 41.25 41.40 1pma s ASN 158 CO -0.00 -0.50 0.04 -0.70 -2.57 0.00 0.00 177.10 173.37 1pma s GLU 159 N -2.02 3.17 0.40 -0.60 2.12 -1.26 -2.09 118.70 118.43 1pma s GLU 159 Ca -0.09 -0.33 0.04 0.00 0.36 0.00 0.00 54.97 54.95 1pma s GLU 159 Cb -0.03 -2.92 -0.05 0.00 0.26 0.00 0.00 34.13 31.38 1pma s GLU 159 CO -0.01 0.69 0.05 0.71 -0.54 0.00 0.00 175.26 176.16 1pma s TYR 160 N -0.83 2.03 -0.14 5.30 1.51 -0.74 -5.01 117.35 119.47 1pma s TYR 160 Ca 0.13 -0.96 0.13 0.00 -1.01 0.00 0.00 57.07 55.35 1pma s TYR 160 Cb -0.12 -1.43 -0.24 0.00 -0.11 0.00 0.00 41.96 40.06 1pma s TYR 160 CO 0.03 0.09 0.28 1.17 -1.11 0.00 0.00 175.55 176.00 1pma n LYS 161 N -0.92 0.67 -3.55 -0.62 3.00 -1.26 -4.50 118.16 110.99 1pma n LYS 161 Ca -0.07 0.14 -0.09 0.00 -0.00 0.00 0.00 58.31 58.29 1pma n LYS 161 Cb 0.66 -1.63 -0.03 0.00 0.00 0.00 0.00 35.03 34.03 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 -2.54 -1.90 0.02 3.14 0.00 -1.26 -0.39 121.76 118.83 1pma s ALA 162 Ca -0.11 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 52.89 1pma s ALA 162 Cb 0.07 -0.11 0.10 0.00 0.00 0.00 0.00 23.12 23.18 1pma s ALA 162 CO 0.80 -0.52 1.24 -0.08 0.00 0.00 0.00 175.76 177.20 1pma s THR 163 N -2.23 0.00 0.26 0.00 -1.32 -0.02 -4.98 115.64 107.35 1pma s THR 163 Ca 0.03 -0.26 -0.07 0.00 -1.21 0.00 0.00 61.69 60.18 1pma s THR 163 Cb -0.01 -2.61 -0.01 0.00 -1.51 0.00 0.00 72.50 68.36 1pma s THR 163 CO -0.04 0.00 0.39 0.00 -2.21 0.00 0.00 174.62 172.76 1pma s ALA 164 N -2.21 0.36 0.22 11.08 0.00 -1.26 -0.67 121.76 129.29 1pma s ALA 164 Ca 0.23 -1.24 -0.19 0.00 0.00 0.00 0.00 51.96 50.76 1pma s ALA 164 Cb 0.01 1.17 0.03 0.00 0.00 0.00 0.00 23.12 24.33 1pma s ALA 164 CO -0.01 -0.77 0.59 -1.50 0.00 0.00 0.00 175.76 174.06 1pma s ILE 165 N -3.81 0.01 0.00 0.00 1.10 0.21 -4.89 121.20 113.82 1pma s ILE 165 Ca 0.29 -0.78 0.00 0.00 -0.51 0.00 0.00 60.65 59.65 1pma s ILE 165 Cb 0.01 -1.66 0.00 0.00 0.15 0.00 0.00 42.46 40.96 1pma s ILE 165 CO 0.13 -0.06 0.00 0.61 -2.11 0.00 0.00 174.94 173.51 1pma n GLY 166 N -0.38 0.92 0.10 1.50 0.00 -1.26 -0.93 105.19 105.14 1pma n GLY 166 Ca -0.09 -1.61 -0.03 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.18 -0.13 1.61 0.87 -1.22 -3.36 113.55 111.14 1pma h SER 167 Ca 0.00 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1pma h SER 167 Cb 0.00 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 1pma h SER 167 CO 0.00 -0.01 0.11 0.61 -0.53 0.00 0.00 176.83 177.01 1pma n GLY 168 N 0.65 2.86 0.29 5.77 0.00 -1.26 -4.54 105.19 108.96 1pma n GLY 168 Ca -0.03 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 1.01 -0.70 -0.78 1.61 3.64 -1.80 -1.80 116.57 117.75 1pma h LYS 169 Ca 0.08 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.65 1pma h LYS 169 Cb 1.01 0.16 -0.14 0.00 -0.41 0.00 0.00 32.23 32.84 1pma h LYS 169 CO 0.19 -0.47 -0.25 -0.44 -2.27 0.00 0.00 179.45 176.22 1pma h ASP 170 N -0.75 -0.90 0.17 4.20 3.32 -1.92 0.55 116.42 121.10 1pma h ASP 170 Ca -0.07 0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1pma h ASP 170 Cb 0.56 0.54 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1pma h ASP 170 CO 0.12 -0.27 -0.10 0.00 -1.72 0.00 0.00 179.24 177.26 1pma h ALA 171 N 1.59 -0.98 -0.70 3.45 0.00 -1.89 -2.46 119.26 118.26 1pma h ALA 171 Ca 0.35 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.28 1pma h ALA 171 Cb 0.58 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1pma h ALA 171 CO -0.81 -0.97 0.46 -0.24 0.00 0.00 0.00 179.25 177.69 1pma h VAL 172 N -0.26 0.98 -0.59 0.00 3.04 -0.89 -1.25 116.25 117.29 1pma h VAL 172 Ca -0.02 -0.23 -0.04 0.00 -1.01 0.00 0.00 66.70 65.40 1pma h VAL 172 Cb 0.21 0.25 -0.03 0.00 -2.01 0.00 0.00 31.29 29.71 1pma h VAL 172 CO 0.02 0.12 0.23 1.62 -1.01 0.00 0.00 177.57 178.55 1pma h VAL 173 N 0.68 1.21 0.33 1.51 3.04 0.14 -2.69 116.25 120.47 1pma h VAL 173 Ca 0.31 -0.68 -0.02 0.00 -1.01 0.00 0.00 66.70 65.30 1pma h VAL 173 Cb 0.34 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 1pma h VAL 173 CO -0.10 0.27 -0.16 0.28 -1.01 0.00 0.00 177.57 176.85 1pma h SER 174 N 0.85 -0.38 -0.78 3.17 0.02 -0.74 0.97 113.55 116.66 1pma h SER 174 Ca 0.20 -0.13 0.15 0.00 -0.84 0.00 0.00 61.79 61.17 1pma h SER 174 Cb 0.18 0.10 -0.15 0.00 0.14 0.00 0.00 62.40 62.67 1pma h SER 174 CO -0.02 -0.08 -0.23 0.15 -1.14 0.00 0.00 176.83 175.51 1pma h PHE 175 N -0.69 -0.55 -0.23 3.45 3.04 -1.33 0.48 116.94 121.10 1pma h PHE 175 Ca -0.05 0.07 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1pma h PHE 175 Cb 0.48 0.36 -0.01 0.00 2.56 0.00 0.00 35.95 39.34 1pma h PHE 175 CO 0.00 -0.35 0.06 -0.07 -2.02 0.00 0.00 178.31 175.93 1pma h LEU 176 N -0.03 0.35 -1.64 0.59 -0.00 -1.36 0.43 115.31 113.65 1pma h LEU 176 Ca 0.36 -0.23 0.30 0.00 -0.00 0.00 0.00 57.88 58.31 1pma h LEU 176 Cb 0.58 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 41.10 1pma h LEU 176 CO -0.81 0.49 0.96 -0.08 -0.00 0.00 0.00 178.44 179.00 1pma h GLU 177 N 0.19 0.00 0.00 1.13 4.57 0.25 0.42 114.58 121.14 1pma h GLU 177 Ca 0.07 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.97 1pma h GLU 177 Cb 0.28 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 1pma h GLU 177 CO 0.00 0.00 -1.90 -2.13 -1.18 0.00 0.00 179.01 173.80 1pma n ARG 178 N -3.66 0.44 -0.59 1.92 0.63 -0.01 -4.75 116.66 110.62 1pma n ARG 178 Ca 0.23 0.19 0.09 0.00 -0.92 0.00 0.00 57.85 57.43 1pma n ARG 178 Cb 1.30 -1.24 0.34 0.00 0.45 0.00 0.00 32.46 33.31 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 -4.00 3.62 -2.32 -0.14 1.02 0.15 -4.97 120.64 114.00 1pma n GLU 179 Ca -0.35 -2.70 -0.42 0.00 -0.02 0.00 0.00 57.16 53.66 1pma n GLU 179 Cb 0.72 -1.88 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 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 -1.87 2.96 -0.40 -0.32 5.04 0.14 -4.93 117.35 117.98 1pma s TYR 180 Ca 0.48 0.97 -0.13 0.00 -2.44 0.00 0.00 57.07 55.95 1pma s TYR 180 Cb 0.31 -3.57 0.03 0.00 0.35 0.00 0.00 41.96 39.08 1pma s TYR 180 CO 0.23 -1.99 0.27 0.21 -1.34 0.00 0.00 175.55 172.92 1pma s LYS 181 N 2.44 2.90 0.00 4.97 2.47 -1.26 -5.04 119.74 126.22 1pma s LYS 181 Ca 0.60 -1.07 0.00 0.00 -1.56 0.00 0.00 55.97 53.94 1pma s LYS 181 Cb -0.28 -3.89 0.00 0.00 -1.46 0.00 0.00 37.83 32.19 1pma s LYS 181 CO 0.24 -0.75 0.03 -1.91 0.16 0.00 0.00 175.35 173.12 1pma n GLU 182 N 5.10 0.00 -1.65 4.03 4.07 -1.26 -2.26 120.64 128.67 1pma n GLU 182 Ca -0.11 0.03 -0.37 0.00 -0.06 0.00 0.00 57.16 56.65 1pma n GLU 182 Cb 0.46 -0.14 0.05 0.00 -0.06 0.00 0.00 31.44 31.76 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 -0.20 7.55 -4.69 4.31 5.03 -1.26 -4.64 115.26 121.36 1pma n ASN 183 Ca 0.00 -3.78 -0.44 0.00 0.87 0.00 0.00 54.58 51.23 1pma n ASN 183 Cb 0.00 -1.04 -0.04 0.00 -1.02 0.00 0.00 39.78 37.68 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 -0.62 3.60 -4.76 3.41 7.94 -0.96 -3.91 117.00 121.70 1pma n LEU 184 Ca 0.57 1.05 -0.38 0.00 -1.11 0.00 0.00 56.01 56.14 1pma n LEU 184 Cb 0.42 -1.49 0.01 0.00 0.53 0.00 0.00 43.42 42.89 1pma n LEU 184 CO 0.62 -0.03 0.89 -2.84 -1.11 0.00 0.00 177.39 174.92 1pma s PRO 185 N 1.58 3.53 0.03 1.96 0.02 -1.26 -0.62 135.00 140.24 1pma s PRO 185 Ca 0.79 1.96 -0.05 0.00 0.02 0.00 0.00 61.00 63.73 1pma s PRO 185 Cb -0.59 -2.37 -0.01 0.00 0.02 0.00 0.00 34.50 31.56 1pma s PRO 185 CO 0.37 -0.79 0.65 -1.91 -0.33 0.00 0.00 177.00 174.99 1pma n GLU 186 N -0.66 -0.07 -0.28 5.54 2.13 -1.26 -0.84 120.64 125.19 1pma n GLU 186 Ca 0.08 0.65 0.07 0.00 0.66 0.00 0.00 57.16 58.62 1pma n GLU 186 Cb 0.47 -0.97 0.18 0.00 0.27 0.00 0.00 31.44 31.38 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 -0.15 5.31 3.64 -1.99 0.36 116.57 123.81 1pma h LYS 187 Ca 0.03 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.19 1pma h LYS 187 Cb 0.07 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1pma h LYS 187 CO -0.15 0.05 -0.74 0.93 -2.27 0.00 0.00 179.45 177.27 1pma h GLU 188 N 0.08 0.70 0.18 1.90 5.08 -1.64 -2.66 114.58 118.23 1pma h GLU 188 Ca 0.44 -0.55 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1pma h GLU 188 Cb 0.80 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1pma h GLU 188 CO -0.73 1.17 -0.33 0.00 -1.00 0.00 0.00 179.01 178.13 1pma h ALA 189 N 0.68 -0.60 -0.17 3.43 0.00 0.13 0.31 119.26 123.03 1pma h ALA 189 Ca -0.04 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1pma h ALA 189 Cb 1.35 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1pma h ALA 189 CO 0.15 -0.89 0.12 -0.24 0.00 0.00 0.00 179.25 178.39 1pma h VAL 190 N -0.59 0.90 0.54 0.00 3.04 -0.46 -0.12 116.25 119.55 1pma h VAL 190 Ca 0.02 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.68 1pma h VAL 190 Cb 0.59 0.91 0.01 0.00 -2.01 0.00 0.00 31.29 30.79 1pma h VAL 190 CO -0.15 0.00 -0.26 0.74 -1.01 0.00 0.00 177.57 176.89 1pma h THR 191 N 0.00 0.07 -1.00 3.17 2.02 -0.84 0.14 112.91 116.47 1pma h THR 191 Ca 0.08 -0.47 0.30 0.00 0.77 0.00 0.00 66.41 67.09 1pma h THR 191 Cb 0.33 0.10 -0.14 0.00 -1.74 0.00 0.00 68.15 66.70 1pma h THR 191 CO -0.00 0.01 0.57 0.25 0.37 0.00 0.00 175.52 176.72 1pma h LEU 192 N -1.17 0.55 0.56 2.58 5.85 0.29 0.15 115.31 124.13 1pma h LEU 192 Ca -0.07 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1pma h LEU 192 Cb 0.58 0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.72 1pma h LEU 192 CO 0.12 -0.06 -0.27 1.23 -0.34 0.00 0.00 178.44 179.12 1pma h GLY 193 N 0.40 -0.79 1.00 3.75 0.00 -0.96 -0.51 103.07 105.96 1pma h GLY 193 Ca 0.70 0.29 0.09 0.00 0.00 0.00 0.00 47.33 48.42 1pma h GLY 193 CO -0.57 -0.29 0.44 1.19 0.00 0.00 0.00 176.54 177.31 1pma h ILE 194 N -1.04 0.92 0.32 2.60 2.10 0.96 0.23 117.51 123.60 1pma h ILE 194 Ca -0.08 -0.18 -0.02 0.00 1.08 0.00 0.00 64.86 65.67 1pma h ILE 194 Cb 0.64 0.36 0.00 0.00 -1.09 0.00 0.00 36.82 36.73 1pma h ILE 194 CO 0.13 0.09 -0.15 0.50 -1.08 0.00 0.00 178.15 177.64 1pma h LYS 195 N 0.52 -0.42 -0.56 2.19 3.64 -0.74 0.80 116.57 122.00 1pma h LYS 195 Ca 0.30 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.79 1pma h LYS 195 Cb 0.49 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.34 1pma h LYS 195 CO -0.09 -0.14 0.19 0.00 -2.27 0.00 0.00 179.45 177.13 1pma h ALA 196 N -0.06 0.69 -0.07 5.00 0.00 0.30 0.17 119.26 125.28 1pma h ALA 196 Ca -0.04 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1pma h ALA 196 Cb 0.46 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1pma h ALA 196 CO 0.07 -0.22 0.02 1.25 0.00 0.00 0.00 179.25 180.38 1pma h LEU 197 N 0.37 0.02 0.00 0.00 5.85 -0.48 -2.77 115.31 118.29 1pma h LEU 197 Ca 0.28 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1pma h LEU 197 Cb 0.33 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1pma h LEU 197 CO -0.29 0.02 0.00 1.17 -0.34 0.00 0.00 178.44 179.00 1pma n LYS 198 N -5.08 0.00 -0.23 1.25 4.81 0.26 -2.52 118.16 116.66 1pma n LYS 198 Ca -0.05 0.53 -0.03 0.00 -0.87 0.00 0.00 58.31 57.89 1pma n LYS 198 Cb 0.05 -1.27 -0.00 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 -1.71 -0.45 0.00 3.14 3.41 -0.08 0.33 113.62 118.26 1pma n SER 199 Ca 0.00 1.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.61 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 -4.79 0.00 0.25 4.04 2.88 -1.05 -3.22 113.62 111.73 1pma n SER 200 Ca 0.04 0.20 0.17 0.00 -1.33 0.00 0.00 58.87 57.95 1pma n SER 200 Cb 0.20 0.00 0.76 0.00 -0.75 0.00 0.00 64.21 64.42 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 -3.52 2.46 7.12 -1.29 -3.34 115.31 116.74 1pma h LEU 201 Ca 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 1pma h LEU 201 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1pma h LEU 201 CO 0.00 0.00 0.00 -0.62 -0.13 0.00 0.00 178.44 177.69 1pma n GLU 202 N -2.83 0.59 0.09 1.25 4.71 0.15 -3.19 120.64 121.41 1pma n GLU 202 Ca -0.00 -0.04 -0.08 0.00 -0.01 0.00 0.00 57.16 57.03 1pma n GLU 202 Cb 0.21 -1.27 -0.01 0.00 -1.01 0.00 0.00 31.44 29.36 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 2.50 0.14 -1.10 3.49 4.22 -1.77 -3.10 114.58 118.96 1pma h GLU 203 Ca 0.01 -0.16 -0.30 0.00 0.08 0.00 0.00 59.36 58.99 1pma h GLU 203 Cb 0.57 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 29.70 1pma h GLU 203 CO 0.03 0.93 0.38 0.41 -2.18 0.00 0.00 179.01 178.57 1pma n GLY 204 N 0.91 3.54 5.11 1.92 0.00 -1.19 -4.98 105.19 110.50 1pma n GLY 204 Ca -0.03 -0.72 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 -0.26 0.00 -1.95 1.61 4.07 -1.17 -4.79 120.64 118.14 1pma n GLU 205 Ca 0.32 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 57.00 1pma n GLU 205 Cb 1.02 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.37 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 3.72 0.54 5.31 2.12 -1.26 -4.88 118.70 124.24 1pma s GLU 206 Ca 0.00 1.86 0.33 0.00 0.36 0.00 0.00 54.97 57.52 1pma s GLU 206 Cb 0.00 -4.12 1.28 0.00 0.26 0.00 0.00 34.13 31.55 1pma s GLU 206 CO 0.00 -1.40 1.95 1.25 -0.54 0.00 0.00 175.26 176.52 1pma h LEU 207 N 12.18 0.00 0.00 2.70 5.85 -1.97 -3.49 115.31 130.58 1pma h LEU 207 Ca -0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1pma h LEU 207 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1pma h LEU 207 CO 0.99 0.00 0.00 1.17 -0.34 0.00 0.00 178.44 180.26 1pma n LYS 208 N -3.07 0.00 -3.70 1.25 3.00 -1.26 -4.45 118.16 109.93 1pma n LYS 208 Ca 0.01 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.94 1pma n LYS 208 Cb 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.25 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 -1.75 3.36 0.68 3.14 0.00 -1.26 -5.07 121.76 120.86 1pma s ALA 209 Ca 0.00 -2.77 -0.15 0.00 0.00 0.00 0.00 51.96 49.04 1pma s ALA 209 Cb 0.00 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.52 1pma s ALA 209 CO 0.00 -1.93 1.14 -2.14 0.00 0.00 0.00 175.76 172.83 1pma s PRO 210 N 0.81 2.61 -0.24 0.00 0.02 -1.26 -3.57 135.00 133.36 1pma s PRO 210 Ca 0.11 1.52 -0.06 0.00 0.02 0.00 0.00 61.00 62.58 1pma s PRO 210 Cb -0.22 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.36 1pma s PRO 210 CO -0.03 -1.42 0.03 -2.00 -0.33 0.00 0.00 177.00 173.25 1pma s GLU 211 N -4.00 3.54 -0.01 5.54 2.12 0.12 -4.83 118.70 121.19 1pma s GLU 211 Ca 0.70 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 55.51 1pma s GLU 211 Cb -0.23 -3.23 -0.00 0.00 0.26 0.00 0.00 34.13 30.93 1pma s GLU 211 CO 0.42 -0.20 -0.06 -1.50 -0.54 0.00 0.00 175.26 173.37 1pma s ILE 212 N 1.57 0.52 0.01 -3.70 2.07 -1.26 -0.31 121.20 120.10 1pma s ILE 212 Ca 0.06 -0.26 -0.09 0.00 -1.41 0.00 0.00 60.65 58.95 1pma s ILE 212 Cb -0.15 -0.46 0.00 0.00 0.13 0.00 0.00 42.46 41.99 1pma s ILE 212 CO 0.01 0.16 0.17 0.00 -1.91 0.00 0.00 174.94 173.38 1pma s ALA 213 N 0.01 -0.40 0.10 1.50 0.00 -0.89 -1.31 121.76 120.77 1pma s ALA 213 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 51.96 51.74 1pma s ALA 213 Cb -0.04 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1pma s ALA 213 CO -0.00 -0.25 0.31 -1.54 0.00 0.00 0.00 175.76 174.28 1pma s SER 214 N -1.53 -0.08 0.04 0.00 1.04 0.30 -0.96 113.70 112.52 1pma s SER 214 Ca -0.13 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 55.85 1pma s SER 214 Cb -0.06 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 1pma s SER 214 CO 0.01 -0.78 -0.02 -0.51 0.98 0.00 0.00 173.24 172.92 1pma s ILE 215 N -3.73 0.17 0.02 -1.02 2.07 -0.74 -0.95 121.20 117.02 1pma s ILE 215 Ca 0.03 -1.44 0.01 0.00 -1.41 0.00 0.00 60.65 57.84 1pma s ILE 215 Cb 0.03 -1.04 -0.01 0.00 0.13 0.00 0.00 42.46 41.56 1pma s ILE 215 CO -0.11 -0.80 -0.05 0.28 -1.91 0.00 0.00 174.94 172.36 1pma s THR 216 N -2.99 0.31 0.24 4.00 -1.32 -1.26 -1.44 115.64 113.18 1pma s THR 216 Ca -0.02 -0.68 -0.29 0.00 -1.21 0.00 0.00 61.69 59.49 1pma s THR 216 Cb 0.01 -0.36 -0.15 0.00 -1.51 0.00 0.00 72.50 70.49 1pma s THR 216 CO -0.07 -0.24 0.93 0.55 -2.21 0.00 0.00 174.62 173.58 1pma n VAL 217 N 2.08 1.71 0.00 5.08 3.14 0.38 -2.15 118.33 128.57 1pma n VAL 217 Ca -0.19 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 60.76 1pma n VAL 217 Cb 0.56 -0.70 0.00 0.00 -1.06 0.00 0.00 33.84 32.64 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 1.58 3.35 3.47 7.55 0.00 -1.26 -5.03 105.19 114.85 1pma n GLY 218 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1pma n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pma s ASN 219 N -0.58 1.03 0.79 1.61 4.22 -0.91 -5.17 114.94 115.93 1pma s ASN 219 Ca 0.00 -1.53 -0.12 0.00 -2.14 0.00 0.00 52.86 49.07 1pma s ASN 219 Cb 0.00 0.66 0.07 0.00 1.28 0.00 0.00 41.25 43.26 1pma s ASN 219 CO 0.00 -1.29 1.13 -0.54 -2.04 0.00 0.00 177.10 174.36 1pma s LYS 220 N -3.04 2.12 0.40 3.55 1.02 -1.26 -4.44 119.74 118.09 1pma s LYS 220 Ca 0.32 0.37 -0.27 0.00 0.02 0.00 0.00 55.97 56.41 1pma s LYS 220 Cb -0.00 -1.94 -0.09 0.00 -0.52 0.00 0.00 37.83 35.27 1pma s LYS 220 CO 0.21 -1.54 1.38 0.71 -0.92 0.00 0.00 175.35 175.20 1pma s TYR 221 N -3.36 2.68 -0.11 3.18 2.02 -0.43 -4.63 117.35 116.70 1pma s TYR 221 Ca 0.61 1.31 0.02 0.00 -0.37 0.00 0.00 57.07 58.63 1pma s TYR 221 Cb -0.12 -3.83 0.02 0.00 -0.40 0.00 0.00 41.96 37.62 1pma s TYR 221 CO 0.52 -2.54 -0.16 0.50 -1.57 0.00 0.00 175.55 172.31 1pma s ARG 222 N -2.22 2.28 -0.17 -0.62 3.52 -0.13 -5.01 118.95 116.61 1pma s ARG 222 Ca 0.56 -0.58 -0.13 0.00 -0.13 0.00 0.00 55.73 55.46 1pma s ARG 222 Cb -0.42 -1.95 -0.05 0.00 -1.56 0.00 0.00 34.95 30.98 1pma s ARG 222 CO 0.55 -0.08 0.25 0.42 -0.81 0.00 0.00 175.30 175.63 1pma s ILE 223 N 1.03 5.33 0.19 4.11 1.01 -1.26 -0.54 121.20 131.07 1pma s ILE 223 Ca -0.05 0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.74 1pma s ILE 223 Cb -0.15 -3.58 -0.08 0.00 0.01 0.00 0.00 42.46 38.65 1pma s ILE 223 CO -0.03 0.41 1.27 -0.31 0.00 0.00 0.00 174.94 176.29 1pma s TYR 224 N 0.37 3.31 0.42 3.97 1.51 -0.43 -5.00 117.35 121.50 1pma s TYR 224 Ca 0.14 1.28 -0.16 0.00 -1.01 0.00 0.00 57.07 57.33 1pma s TYR 224 Cb -0.12 -3.55 -0.08 0.00 -0.11 0.00 0.00 41.96 38.09 1pma s TYR 224 CO 0.02 -1.67 0.86 0.16 -1.11 0.00 0.00 175.55 173.82 1pma s ASP 225 N 0.32 6.70 0.19 2.29 -4.77 -1.26 -4.79 116.67 115.35 1pma s ASP 225 Ca 0.56 1.42 -0.09 0.00 -3.30 0.00 0.00 52.55 51.13 1pma s ASP 225 Cb -0.35 -2.44 0.25 0.00 -1.09 0.00 0.00 42.92 39.29 1pma s ASP 225 CO 0.37 -0.40 1.13 1.67 0.70 0.00 0.00 175.17 178.65 1pma n GLN 226 N -1.02 -0.12 -0.14 2.11 7.27 -1.26 0.05 117.38 124.27 1pma n GLN 226 Ca 0.05 1.13 -0.10 0.00 0.07 0.00 0.00 57.00 58.15 1pma n GLN 226 Cb 0.54 -1.68 -0.01 0.00 2.41 0.00 0.00 30.24 31.49 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 0.63 -0.42 3.69 3.07 -1.98 -0.84 114.58 118.74 1pma h GLU 227 Ca 0.30 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1pma h GLU 227 Cb 0.48 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1pma h GLU 227 CO -0.74 0.65 0.27 1.49 -1.40 0.00 0.00 179.01 179.28 1pma h GLU 228 N 0.49 0.55 -0.54 2.33 4.81 -0.75 -0.86 114.58 120.61 1pma h GLU 228 Ca 0.12 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 1pma h GLU 228 Cb 0.30 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1pma h GLU 228 CO 0.00 0.37 -0.11 -0.24 -0.73 0.00 0.00 179.01 178.30 1pma h VAL 229 N 0.56 1.27 -0.02 0.32 3.04 -1.19 -1.72 116.25 118.51 1pma h VAL 229 Ca 0.15 -1.27 0.01 0.00 -1.01 0.00 0.00 66.70 64.58 1pma h VAL 229 Cb -0.05 0.96 -0.00 0.00 -2.01 0.00 0.00 31.29 30.19 1pma h VAL 229 CO -0.03 0.45 0.04 0.50 -1.01 0.00 0.00 177.57 177.52 1pma h LYS 230 N 0.91 0.00 -0.44 4.17 3.64 -0.69 -0.40 116.57 123.76 1pma h LYS 230 Ca 0.14 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 1pma h LYS 230 Cb 0.68 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1pma h LYS 230 CO 0.05 0.00 -0.22 -0.22 -2.27 0.00 0.00 179.45 176.79 1pma h LYS 231 N 0.00 0.89 0.00 1.90 3.64 -0.20 -3.07 116.57 119.72 1pma h LYS 231 Ca 0.01 -0.37 -0.09 0.00 -1.27 0.00 0.00 60.65 58.93 1pma h LYS 231 Cb 0.09 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1pma h LYS 231 CO -0.00 1.02 -0.80 0.74 -2.27 0.00 0.00 179.45 178.14 1pma h PHE 232 N 0.77 0.00 0.00 1.91 -1.00 -1.12 -3.52 116.94 113.98 1pma h PHE 232 Ca 0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1pma h PHE 232 Cb 0.77 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.33 1pma h PHE 232 CO 0.05 0.37 0.00 -0.11 -1.61 0.00 0.00 178.31 177.01