#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1day s LYS 8 N 0.00 0.48 0.58 -1.46 -0.14 -1.26 -4.38 119.74 113.55 1day s LYS 8 Ca 0.00 -0.54 -0.20 0.00 -1.36 0.00 0.00 55.97 53.87 1day s LYS 8 Cb 0.00 0.19 -0.04 0.00 -1.68 0.00 0.00 37.83 36.30 1day s LYS 8 CO 0.00 -0.11 1.25 0.00 -0.76 0.00 0.00 175.35 175.73 1day s ALA 9 N -1.74 2.63 -0.41 5.17 0.00 -1.26 -4.92 121.76 121.23 1day s ALA 9 Ca -0.12 1.11 0.23 0.00 0.00 0.00 0.00 51.96 53.18 1day s ALA 9 Cb -0.06 -3.49 0.24 0.00 0.00 0.00 0.00 23.12 19.81 1day s ALA 9 CO -0.01 -1.23 1.37 0.00 0.00 0.00 0.00 175.76 175.89 1day h ARG 10 N 1.10 0.00 -4.93 0.00 3.08 -1.96 -3.44 114.38 108.22 1day h ARG 10 Ca -0.51 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.22 1day h ARG 10 Cb 1.30 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.16 1day h ARG 10 CO 0.56 0.00 -0.74 0.14 -1.07 0.00 0.00 179.97 178.86 1day s VAL 11 N -3.26 0.88 -1.53 2.04 -7.23 -1.26 -4.87 120.40 105.17 1day s VAL 11 Ca 0.04 -1.51 -0.16 0.00 -1.81 0.00 0.00 61.98 58.55 1day s VAL 11 Cb 0.08 -1.20 0.13 0.00 0.56 0.00 0.00 36.38 35.95 1day s VAL 11 CO 0.72 -0.49 0.68 -1.22 -0.31 0.00 0.00 175.10 174.47 1day n TYR 12 N 0.79 -1.76 0.09 2.82 4.01 -1.26 -4.88 117.16 116.97 1day n TYR 12 Ca -0.18 0.68 -0.05 0.00 -0.16 0.00 0.00 57.90 58.19 1day n TYR 12 Cb 0.57 -2.85 0.11 0.00 -0.31 0.00 0.00 39.34 36.85 1day n TYR 12 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1day h ALA 13 N 0.94 0.82 -0.11 -0.72 0.00 -1.89 -3.32 119.26 114.98 1day h ALA 13 Ca -0.52 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1day h ALA 13 Cb 1.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1day h ALA 13 CO 0.69 0.75 0.00 -0.40 0.00 0.00 0.00 179.25 180.29 1day n ASP 14 N -3.85 3.00 -0.29 0.00 3.85 -1.26 -4.40 116.55 113.61 1day n ASP 14 Ca -0.02 -1.95 -0.03 0.00 -0.71 0.00 0.00 54.79 52.08 1day n ASP 14 Cb 0.64 -0.05 0.03 0.00 -1.35 0.00 0.00 41.12 40.38 1day n ASP 14 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 1day h VAL 15 N 4.41 0.09 0.13 2.12 2.07 -1.91 -0.37 116.25 122.78 1day h VAL 15 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1day h VAL 15 Cb 0.95 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1day h VAL 15 CO 0.00 0.00 -0.06 0.78 0.02 0.00 0.00 177.57 178.31 1day h ASN 16 N -0.08 -0.15 -0.83 0.57 2.35 -1.83 -2.15 115.58 113.46 1day h ASN 16 Ca 0.29 -0.37 0.16 0.00 -0.55 0.00 0.00 56.30 55.83 1day h ASN 16 Cb 0.58 0.04 -0.16 0.00 0.05 0.00 0.00 38.32 38.83 1day h ASN 16 CO -0.83 0.34 -0.22 0.52 -1.65 0.00 0.00 177.43 175.59 1day n VAL 17 N -4.94 -0.36 1.04 2.81 0.31 -0.75 -0.95 118.33 115.48 1day n VAL 17 Ca -0.08 1.91 0.11 0.00 -0.01 0.00 0.00 64.34 66.27 1day n VAL 17 Cb 0.26 -2.64 0.09 0.00 -0.91 0.00 0.00 33.84 30.64 1day n VAL 17 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1day n LEU 18 N -5.35 1.01 -4.91 7.52 4.77 -0.22 -4.94 117.00 114.87 1day n LEU 18 Ca 0.13 -0.35 -0.27 0.00 -0.03 0.00 0.00 56.01 55.49 1day n LEU 18 Cb 0.41 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1day n LEU 18 CO -0.10 0.22 0.50 -0.13 -1.33 0.00 0.00 177.39 176.55 1day s ARG 19 N -2.85 3.22 0.52 3.23 0.52 -0.12 -5.04 118.95 118.43 1day s ARG 19 Ca 0.13 0.11 -0.22 0.00 -0.52 0.00 0.00 55.73 55.23 1day s ARG 19 Cb 0.17 -2.31 -0.06 0.00 0.52 0.00 0.00 34.95 33.28 1day s ARG 19 CO 0.72 -0.48 1.35 -2.14 0.02 0.00 0.00 175.30 174.76 1day s PRO 20 N -4.89 3.28 0.54 3.54 0.02 -1.26 -4.89 135.00 131.33 1day s PRO 20 Ca 0.51 2.21 0.30 0.00 0.02 0.00 0.00 61.00 64.05 1day s PRO 20 Cb -0.10 -2.33 1.46 0.00 0.02 0.00 0.00 34.50 33.55 1day s PRO 20 CO 0.45 -1.07 1.91 -0.22 -0.33 0.00 0.00 177.00 177.74 1day h LYS 21 N 1.64 0.00 0.00 5.54 3.64 -1.96 -1.53 116.57 123.90 1day h LYS 21 Ca -0.51 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.82 1day h LYS 21 Cb 1.29 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1day h LYS 21 CO 0.58 0.00 -0.23 1.05 -2.27 0.00 0.00 179.45 178.58 1day h GLU 22 N 0.00 0.00 -0.13 1.90 4.11 -1.90 0.02 114.58 118.58 1day h GLU 22 Ca 0.39 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.86 1day h GLU 22 Cb 1.54 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.75 1day h GLU 22 CO -0.01 0.23 -0.13 -0.92 0.07 0.00 0.00 179.01 178.26 1day h TYR 23 N 0.00 -0.31 -0.01 2.06 3.20 -1.63 -3.27 116.97 117.01 1day h TYR 23 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1day h TYR 23 Cb 0.50 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1day h TYR 23 CO 0.00 -0.19 -0.46 -2.67 -1.64 0.00 0.00 178.16 173.20 1day n TRP 24 N -5.27 0.00 -1.96 -3.82 4.27 -1.08 -4.73 117.44 104.85 1day n TRP 24 Ca -0.03 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.16 1day n TRP 24 Cb 0.19 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.14 1day n TRP 24 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 1day n ASP 25 N -0.59 4.17 -0.22 -0.67 2.03 -0.03 -4.76 116.55 116.48 1day n ASP 25 Ca 0.05 -2.87 -0.06 0.00 0.52 0.00 0.00 54.79 52.43 1day n ASP 25 Cb 0.29 -1.67 0.09 0.00 -0.72 0.00 0.00 41.12 39.11 1day n ASP 25 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1day h TYR 26 N 6.35 1.11 -0.34 -0.67 -0.00 -1.85 -2.62 116.97 118.96 1day h TYR 26 Ca 0.53 -0.12 0.10 0.00 0.00 0.00 0.00 58.73 59.24 1day h TYR 26 Cb 0.69 -0.32 -0.01 0.00 0.00 0.00 0.00 36.73 37.09 1day h TYR 26 CO 1.44 0.90 0.46 0.93 -0.00 0.00 0.00 178.16 181.89 1day h GLU 27 N 1.01 0.00 -0.46 0.10 5.08 -1.89 0.69 114.58 119.12 1day h GLU 27 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1day h GLU 27 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1day h GLU 27 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1day n ALA 28 N -2.22 2.60 -1.76 3.43 0.00 -0.99 -4.91 120.51 116.67 1day n ALA 28 Ca 0.06 -0.32 -0.40 0.00 0.00 0.00 0.00 53.44 52.78 1day n ALA 28 Cb 0.61 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 1day n ALA 28 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1day s LEU 29 N -0.83 4.52 -0.30 0.00 2.96 0.24 -5.03 118.68 120.24 1day s LEU 29 Ca 0.11 2.29 0.03 0.00 -0.22 0.00 0.00 54.13 56.34 1day s LEU 29 Cb 0.07 -3.66 0.08 0.00 0.50 0.00 0.00 46.19 43.18 1day s LEU 29 CO 0.05 -0.19 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.98 1day s THR 30 N -1.19 2.25 -0.02 3.68 2.01 -1.26 -5.09 115.64 116.03 1day s THR 30 Ca 0.45 -2.00 -0.30 0.00 0.31 0.00 0.00 61.69 60.15 1day s THR 30 Cb -0.32 -2.51 -0.06 0.00 0.01 0.00 0.00 72.50 69.62 1day s THR 30 CO 0.41 -0.33 1.57 -0.69 -0.69 0.00 0.00 174.62 174.89 1day s VAL 31 N 1.00 3.53 -0.77 3.82 1.01 -1.26 -4.95 120.40 122.78 1day s VAL 31 Ca 0.01 0.80 -0.17 0.00 0.00 0.00 0.00 61.98 62.63 1day s VAL 31 Cb -0.20 -3.52 0.16 0.00 0.00 0.00 0.00 36.38 32.83 1day s VAL 31 CO -0.06 -0.04 0.83 -1.10 0.00 0.00 0.00 175.10 174.73 1day s GLN 32 N 3.27 3.41 0.23 2.72 -1.52 -1.26 -5.02 119.66 121.50 1day s GLN 32 Ca 0.70 -1.92 -0.31 0.00 -1.95 0.00 0.00 55.36 51.88 1day s GLN 32 Cb -0.34 -4.51 -0.11 0.00 -0.22 0.00 0.00 33.01 27.84 1day s GLN 32 CO 0.28 -1.49 1.54 -1.58 -0.25 0.00 0.00 175.29 173.80 1day s TRP 33 N 1.60 2.95 0.00 0.91 0.52 -1.26 -4.78 118.94 118.88 1day s TRP 33 Ca 0.19 0.79 0.00 0.00 0.02 0.00 0.00 56.10 57.10 1day s TRP 33 Cb -0.14 -3.94 0.00 0.00 -1.15 0.00 0.00 33.47 28.24 1day s TRP 33 CO -0.04 -3.27 0.00 0.41 0.02 0.00 0.00 176.95 174.06 1day n GLY 34 N 2.79 -0.24 3.55 0.98 0.00 0.40 -5.02 105.19 107.65 1day n GLY 34 Ca 0.10 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 1day n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1day s GLU 35 N -1.12 3.55 0.39 1.61 2.56 -1.26 -4.71 118.70 119.72 1day s GLU 35 Ca 0.00 -0.29 0.10 0.00 0.00 0.00 0.00 54.97 54.78 1day s GLU 35 Cb 0.00 -3.83 0.87 0.00 2.00 0.00 0.00 34.13 33.18 1day s GLU 35 CO 0.00 -0.64 1.95 -0.56 -0.56 0.00 0.00 175.26 175.45 1day h GLN 36 N 8.50 0.58 0.00 4.30 -0.00 -1.93 -1.92 115.11 124.64 1day h GLN 36 Ca -0.28 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 1day h GLN 36 Cb 1.13 -0.13 0.00 0.00 -0.00 0.00 0.00 27.48 28.48 1day h GLN 36 CO 0.76 0.39 0.00 -0.44 -0.00 0.00 0.00 178.83 179.53 1day h ASP 37 N 0.60 0.00 0.15 0.06 3.45 -1.94 -2.94 116.42 115.79 1day h ASP 37 Ca 0.32 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.77 1day h ASP 37 Cb 0.45 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.21 1day h ASP 37 CO -0.11 0.00 -0.05 0.44 -1.57 0.00 0.00 179.24 177.95 1day h ASP 38 N 0.00 0.00 -3.26 6.45 3.32 -1.74 -3.42 116.42 117.76 1day h ASP 38 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1day h ASP 38 Cb 0.36 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.60 1day h ASP 38 CO 0.00 0.05 -0.80 -0.31 -1.72 0.00 0.00 179.24 176.46 1day s TYR 39 N -4.45 2.82 -0.09 4.55 2.02 -1.11 0.07 117.35 121.15 1day s TYR 39 Ca -0.04 -1.11 0.00 0.00 -0.37 0.00 0.00 57.07 55.56 1day s TYR 39 Cb 0.14 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 1day s TYR 39 CO 0.56 -0.53 -0.08 -1.21 -1.57 0.00 0.00 175.55 172.72 1day s GLU 40 N 1.00 2.93 0.26 -0.62 2.02 -0.23 -4.91 118.70 119.14 1day s GLU 40 Ca -0.02 -0.58 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 1day s GLU 40 Cb -0.15 -2.62 -0.10 0.00 0.10 0.00 0.00 34.13 31.36 1day s GLU 40 CO -0.03 0.55 1.45 0.08 0.02 0.00 0.00 175.26 177.33 1day s VAL 41 N -0.50 2.58 -0.13 2.63 1.01 -1.26 -1.50 120.40 123.23 1day s VAL 41 Ca 0.07 0.49 -0.09 0.00 0.00 0.00 0.00 61.98 62.45 1day s VAL 41 Cb -0.12 -3.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.89 1day s VAL 41 CO 0.02 0.08 -0.21 0.52 0.00 0.00 0.00 175.10 175.51 1day n VAL 42 N 2.18 1.07 -3.62 2.92 0.31 0.20 -4.92 118.33 116.47 1day n VAL 42 Ca 0.06 -0.06 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1day n VAL 42 Cb 0.40 -1.83 -0.07 0.00 -0.91 0.00 0.00 33.84 31.42 1day n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1day s ARG 43 N -2.38 0.85 0.32 5.55 1.70 -1.00 -4.99 118.95 119.00 1day s ARG 43 Ca -0.21 0.65 -0.29 0.00 -0.47 0.00 0.00 55.73 55.41 1day s ARG 43 Cb 0.07 0.41 -0.10 0.00 -0.57 0.00 0.00 34.95 34.75 1day s ARG 43 CO 0.27 -0.17 1.38 0.21 -1.08 0.00 0.00 175.30 175.91 1day s LYS 44 N -0.22 4.28 0.00 3.89 2.20 -1.26 0.51 119.74 129.15 1day s LYS 44 Ca -0.04 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 1day s LYS 44 Cb -0.03 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1day s LYS 44 CO 0.04 -0.31 0.00 1.33 -0.36 0.00 0.00 175.35 176.04 1day n VAL 45 N 1.09 0.00 -3.88 4.02 0.24 0.10 -4.77 118.33 115.13 1day n VAL 45 Ca 0.02 -0.05 -0.01 0.00 -2.04 0.00 0.00 64.34 62.26 1day n VAL 45 Cb 0.41 0.45 0.01 0.00 -1.47 0.00 0.00 33.84 33.24 1day n VAL 45 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1day s GLY 46 N -1.30 -0.03 0.34 7.63 0.00 -0.59 -5.00 107.32 108.37 1day s GLY 46 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 44.72 44.52 1day s GLY 46 CO 0.00 2.98 0.63 -0.96 0.00 0.00 0.00 173.10 175.75 1day n ARG 47 N -0.72 0.91 -3.84 2.90 1.85 -1.26 -0.58 116.66 115.91 1day n ARG 47 Ca -0.02 -2.11 -0.03 0.00 -1.00 0.00 0.00 57.85 54.70 1day n ARG 47 Cb 0.60 2.45 0.01 0.00 -1.05 0.00 0.00 32.46 34.46 1day n ARG 47 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1day s GLY 48 N -2.86 -0.01 0.47 2.89 0.00 -0.93 -4.94 107.32 101.93 1day s GLY 48 Ca 0.17 -0.15 0.19 0.00 0.00 0.00 0.00 44.72 44.93 1day s GLY 48 CO 0.13 1.82 1.96 0.50 0.00 0.00 0.00 173.10 177.51 1day h LYS 49 N 2.00 0.25 0.00 2.90 6.56 -2.03 -2.90 116.57 123.35 1day h LYS 49 Ca -0.27 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.30 1day h LYS 49 Cb 1.22 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.82 1day h LYS 49 CO 0.33 0.17 -0.16 2.48 -2.06 0.00 0.00 179.45 180.21 1day n TYR 50 N -4.44 0.00 -3.71 -1.35 0.18 -1.26 -4.95 117.16 101.63 1day n TYR 50 Ca 0.12 -0.80 -0.10 0.00 1.88 0.00 0.00 57.90 59.00 1day n TYR 50 Cb 0.54 -0.13 -0.05 0.00 -0.38 0.00 0.00 39.34 39.32 1day n TYR 50 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1day s SER 51 N -2.48 -0.16 -0.07 9.48 1.04 -1.10 -0.84 113.70 119.58 1day s SER 51 Ca 0.25 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.26 1day s SER 51 Cb 0.23 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.83 1day s SER 51 CO 0.01 -0.86 -0.06 -1.61 0.98 0.00 0.00 173.24 171.70 1day s GLU 52 N -3.83 1.16 -0.12 4.02 2.02 0.53 -2.20 118.70 120.27 1day s GLU 52 Ca 0.05 -0.18 0.02 0.00 0.02 0.00 0.00 54.97 54.88 1day s GLU 52 Cb 0.02 -1.15 -0.00 0.00 0.10 0.00 0.00 34.13 33.10 1day s GLU 52 CO -0.10 -0.12 -0.21 0.08 0.02 0.00 0.00 175.26 174.94 1day s VAL 53 N 1.15 2.29 -0.02 2.63 1.01 0.25 -0.45 120.40 127.27 1day s VAL 53 Ca -0.07 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.04 1day s VAL 53 Cb -0.14 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1day s VAL 53 CO -0.01 0.55 -0.17 -0.36 0.00 0.00 0.00 175.10 175.11 1day s PHE 54 N 0.53 1.51 0.09 5.22 0.08 -0.48 0.03 117.98 124.96 1day s PHE 54 Ca -0.13 -0.31 -0.31 0.00 0.12 0.00 0.00 56.93 56.31 1day s PHE 54 Cb -0.17 -0.98 -0.07 0.00 -0.57 0.00 0.00 43.02 41.23 1day s PHE 54 CO 0.05 -0.05 1.25 -2.00 -0.10 0.00 0.00 175.22 174.37 1day s GLU 55 N -0.32 4.41 0.37 0.44 2.12 0.18 -0.66 118.70 125.24 1day s GLU 55 Ca 0.05 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.24 1day s GLU 55 Cb -0.07 -3.30 -0.00 0.00 0.26 0.00 0.00 34.13 31.01 1day s GLU 55 CO -0.00 -0.28 0.01 0.41 -0.54 0.00 0.00 175.26 174.86 1day n GLY 56 N 3.12 3.71 2.81 -1.50 0.00 0.38 -0.63 105.19 113.08 1day n GLY 56 Ca 0.09 -2.31 -0.15 0.00 0.00 0.00 0.00 46.02 43.66 1day n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1day s ILE 57 N -2.37 -0.00 -0.32 -0.61 2.07 -0.56 -1.64 121.20 117.76 1day s ILE 57 Ca 0.01 0.14 -0.29 0.00 -1.41 0.00 0.00 60.65 59.10 1day s ILE 57 Cb 0.00 -0.09 0.02 0.00 0.13 0.00 0.00 42.46 42.51 1day s ILE 57 CO 0.01 0.08 1.07 0.21 -1.91 0.00 0.00 174.94 174.40 1day s ASN 58 N 0.78 6.93 0.30 4.50 3.04 0.07 -1.07 114.94 129.48 1day s ASN 58 Ca -0.07 1.04 0.06 0.00 0.04 0.00 0.00 52.86 53.94 1day s ASN 58 Cb -0.10 -2.54 0.47 0.00 -1.54 0.00 0.00 41.25 37.55 1day s ASN 58 CO -0.02 -0.88 1.72 -0.37 -3.04 0.00 0.00 177.10 174.51 1day h VAL 59 N 5.73 1.29 -0.44 -5.21 -1.51 -0.67 0.03 116.25 115.46 1day h VAL 59 Ca -0.20 -1.41 -0.04 0.00 -1.23 0.00 0.00 66.70 63.82 1day h VAL 59 Cb 1.06 1.58 -0.02 0.00 -2.13 0.00 0.00 31.29 31.79 1day h VAL 59 CO 1.03 0.43 0.12 0.78 -1.23 0.00 0.00 177.57 178.70 1day h ASN 60 N 0.24 0.66 -0.01 4.19 2.35 -1.92 -3.35 115.58 117.73 1day h ASN 60 Ca 0.03 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1day h ASN 60 Cb 0.75 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1day h ASN 60 CO 0.06 0.71 0.00 -0.46 -1.65 0.00 0.00 177.43 176.08 1day n ASN 61 N -4.54 1.35 -0.57 5.81 0.23 -1.22 -5.02 115.26 111.31 1day n ASN 61 Ca 0.00 -1.20 -0.07 0.00 -0.53 0.00 0.00 54.58 52.78 1day n ASN 61 Cb 0.20 -0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.87 1day n ASN 61 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1day n ASN 62 N 0.17 -4.64 -4.83 0.53 3.02 -0.01 -5.00 115.26 104.49 1day n ASN 62 Ca 0.02 0.18 -0.35 0.00 -0.03 0.00 0.00 54.58 54.41 1day n ASN 62 Cb 0.10 -2.80 -0.06 0.00 -0.61 0.00 0.00 39.78 36.41 1day n ASN 62 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1day s GLU 63 N -2.30 4.14 0.74 3.52 2.02 -1.25 -4.78 118.70 120.78 1day s GLU 63 Ca 0.00 0.76 -0.13 0.00 0.02 0.00 0.00 54.97 55.62 1day s GLU 63 Cb 0.00 -2.73 0.04 0.00 0.10 0.00 0.00 34.13 31.55 1day s GLU 63 CO 0.00 0.32 1.13 0.15 0.02 0.00 0.00 175.26 176.88 1day s LYS 64 N -2.33 2.28 0.34 1.61 1.02 -1.26 -0.75 119.74 120.64 1day s LYS 64 Ca 0.46 1.41 -0.09 0.00 0.02 0.00 0.00 55.97 57.78 1day s LYS 64 Cb -0.14 -1.88 0.02 0.00 -0.52 0.00 0.00 37.83 35.30 1day s LYS 64 CO 0.20 -1.66 0.58 0.00 -0.92 0.00 0.00 175.35 173.55 1day s ILE 66 N -3.00 2.23 -0.21 0.00 -1.09 0.70 -0.47 121.20 119.38 1day s ILE 66 Ca 0.24 -0.98 -0.00 0.00 -2.23 0.00 0.00 60.65 57.68 1day s ILE 66 Cb -0.02 -1.84 0.02 0.00 -1.58 0.00 0.00 42.46 39.04 1day s ILE 66 CO 0.15 0.56 -0.14 -0.63 -1.23 0.00 0.00 174.94 173.65 1day s ILE 67 N 0.03 2.42 -0.42 2.92 1.01 0.17 -0.87 121.20 126.45 1day s ILE 67 Ca -0.09 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 1day s ILE 67 Cb -0.15 -2.11 0.11 0.00 0.01 0.00 0.00 42.46 40.32 1day s ILE 67 CO 0.05 0.41 0.24 -0.75 0.00 0.00 0.00 174.94 174.89 1day s LYS 68 N 1.31 2.15 -0.26 2.79 2.20 0.10 -1.38 119.74 126.66 1day s LYS 68 Ca 0.03 -1.78 -0.21 0.00 -0.36 0.00 0.00 55.97 53.65 1day s LYS 68 Cb -0.14 -3.66 -0.01 0.00 -1.51 0.00 0.00 37.83 32.50 1day s LYS 68 CO -0.09 -1.09 0.67 0.42 -0.36 0.00 0.00 175.35 174.91 1day s ILE 69 N 1.21 4.94 0.38 5.43 1.01 0.41 0.02 121.20 134.59 1day s ILE 69 Ca 0.07 1.18 -0.19 0.00 0.00 0.00 0.00 60.65 61.71 1day s ILE 69 Cb -0.24 -3.99 -0.10 0.00 0.01 0.00 0.00 42.46 38.15 1day s ILE 69 CO -0.03 -0.03 0.86 -0.76 0.00 0.00 0.00 174.94 174.98 1day s LEU 70 N 2.61 4.01 0.38 2.97 1.02 -0.47 -0.35 118.68 128.86 1day s LEU 70 Ca 0.28 1.53 0.01 0.00 0.02 0.00 0.00 54.13 55.97 1day s LEU 70 Cb -0.15 -4.31 -0.02 0.00 0.02 0.00 0.00 46.19 41.73 1day s LEU 70 CO 0.09 -0.28 0.58 -0.54 0.02 0.00 0.00 176.35 176.22 1day s LYS 71 N -3.03 3.25 -0.05 1.70 1.02 -0.02 -4.63 119.74 117.99 1day s LYS 71 Ca 0.58 -0.51 -0.33 0.00 0.02 0.00 0.00 55.97 55.73 1day s LYS 71 Cb -0.10 -2.65 -0.11 0.00 -0.52 0.00 0.00 37.83 34.45 1day s LYS 71 CO 0.15 -0.03 1.90 -2.30 -0.92 0.00 0.00 175.35 174.16 1day n PRO 72 N -1.87 2.36 -3.82 -1.68 -0.02 -1.26 -4.94 135.00 123.76 1day n PRO 72 Ca -0.02 0.87 -0.11 0.00 -2.02 0.00 0.00 63.50 62.22 1day n PRO 72 Cb 0.57 -2.74 -0.08 0.00 -0.02 0.00 0.00 33.50 31.23 1day n PRO 72 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1day s VAL 73 N 4.12 0.10 0.24 -1.45 -7.23 -1.26 -5.08 120.40 109.83 1day s VAL 73 Ca 0.92 -0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 60.01 1day s VAL 73 Cb -0.63 -0.83 -0.15 0.00 0.56 0.00 0.00 36.38 35.33 1day s VAL 73 CO 0.49 -0.43 0.95 1.17 -0.31 0.00 0.00 175.10 176.97 1day n LYS 74 N 0.81 1.03 0.00 4.82 0.00 -1.26 -4.81 118.16 118.74 1day n LYS 74 Ca -0.19 0.36 0.06 0.00 0.00 0.00 0.00 58.31 58.53 1day n LYS 74 Cb 0.58 -1.69 0.27 0.00 0.00 0.00 0.00 35.03 34.19 1day n LYS 74 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1day n LYS 75 N 1.03 0.05 -0.02 1.64 2.85 -1.26 -1.81 118.16 120.64 1day n LYS 75 Ca 0.13 0.26 -0.12 0.00 -1.05 0.00 0.00 58.31 57.52 1day n LYS 75 Cb 0.28 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.09 1day n LYS 75 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 1day h LYS 76 N 0.00 0.14 -0.96 -1.58 2.10 -1.99 -1.23 116.57 113.06 1day h LYS 76 Ca 0.00 -0.05 0.10 0.00 -2.00 0.00 0.00 60.65 58.71 1day h LYS 76 Cb 0.18 -0.01 -0.07 0.00 -0.90 0.00 0.00 32.23 31.42 1day h LYS 76 CO 0.00 0.42 0.61 -0.22 -2.00 0.00 0.00 179.45 178.26 1day h LYS 77 N -0.15 0.94 -0.10 0.07 3.64 -1.71 -1.27 116.57 118.00 1day h LYS 77 Ca 0.02 -0.06 -0.23 0.00 -1.27 0.00 0.00 60.65 59.11 1day h LYS 77 Cb 0.36 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1day h LYS 77 CO 0.00 0.62 -0.85 0.82 -2.27 0.00 0.00 179.45 177.78 1day h ILE 78 N 0.97 1.29 0.00 2.00 5.03 -1.53 -3.25 117.51 122.03 1day h ILE 78 Ca 0.45 -2.07 -0.03 0.00 -0.12 0.00 0.00 64.86 63.08 1day h ILE 78 Cb 0.42 2.11 -0.00 0.00 -3.03 0.00 0.00 36.82 36.31 1day h ILE 78 CO -0.21 0.65 -0.16 0.07 -0.68 0.00 0.00 178.15 177.81 1day h LYS 79 N 0.47 0.00 0.41 2.37 2.10 -0.62 -3.01 116.57 118.30 1day h LYS 79 Ca -0.07 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.56 1day h LYS 79 Cb 1.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 1day h LYS 79 CO 0.17 0.16 -0.20 -0.09 -2.00 0.00 0.00 179.45 177.49 1day h ARG 80 N 0.00 -0.54 -0.92 0.07 2.43 -1.28 -0.90 114.38 113.24 1day h ARG 80 Ca -0.00 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 1day h ARG 80 Cb 0.81 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.42 1day h ARG 80 CO 0.02 -0.23 0.59 1.49 -1.51 0.00 0.00 179.97 180.33 1day h GLU 81 N -0.85 0.94 -0.15 0.20 4.81 -1.65 0.72 114.58 118.60 1day h GLU 81 Ca -0.06 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.00 1day h GLU 81 Cb 0.55 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1day h GLU 81 CO 0.09 0.62 -0.37 0.82 -0.73 0.00 0.00 179.01 179.44 1day h ILE 82 N 0.97 1.35 -0.69 2.32 2.04 -1.53 -0.93 117.51 121.04 1day h ILE 82 Ca 0.42 -1.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.63 1day h ILE 82 Cb 0.34 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1day h ILE 82 CO -0.18 0.50 0.37 0.50 0.00 0.00 0.00 178.15 179.33 1day h LYS 83 N 0.15 0.97 -0.25 2.37 1.63 0.35 -1.11 116.57 120.68 1day h LYS 83 Ca -0.00 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 1day h LYS 83 Cb 0.98 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 1day h LYS 83 CO 0.08 0.74 0.10 0.82 -3.45 0.00 0.00 179.45 177.74 1day h ILE 84 N 0.95 1.17 -0.76 2.00 2.04 0.43 -1.38 117.51 121.97 1day h ILE 84 Ca 0.24 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1day h ILE 84 Cb 0.06 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1day h ILE 84 CO -0.04 0.18 0.47 -0.07 0.00 0.00 0.00 178.15 178.69 1day h LEU 85 N 0.25 0.90 -0.58 1.44 3.38 -0.90 -1.48 115.31 118.31 1day h LEU 85 Ca 0.08 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1day h LEU 85 Cb 0.19 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1day h LEU 85 CO -0.01 0.68 0.03 1.56 0.09 0.00 0.00 178.44 180.80 1day h GLN 86 N 1.05 1.01 -0.57 1.13 4.20 -0.92 -1.01 115.11 119.99 1day h GLN 86 Ca 0.28 -0.31 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1day h GLN 86 Cb -0.06 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 1day h GLN 86 CO -0.05 0.99 0.16 -0.91 -0.67 0.00 0.00 178.83 178.35 1day h ASN 87 N 0.90 0.80 0.59 1.46 2.35 -0.66 -3.13 115.58 117.90 1day h ASN 87 Ca 0.17 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1day h ASN 87 Cb 0.51 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1day h ASN 87 CO 0.02 0.77 -0.89 0.18 -1.65 0.00 0.00 177.43 175.86 1day n LEU 88 N -4.28 0.64 -4.55 1.61 4.77 -0.61 -4.96 117.00 109.61 1day n LEU 88 Ca 0.04 0.08 -0.52 0.00 -0.03 0.00 0.00 56.01 55.58 1day n LEU 88 Cb 0.21 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1day n LEU 88 CO 0.40 0.00 0.70 0.00 -1.33 0.00 0.00 177.39 177.16 1day n GLY 90 N 2.07 3.30 3.71 0.00 0.00 -1.26 -5.04 105.19 107.97 1day n GLY 90 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1day n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1day n GLY 91 N -1.75 0.43 3.72 -0.02 0.00 0.37 -4.90 105.19 103.05 1day n GLY 91 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1day n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1day s PRO 92 N -3.31 4.13 -1.66 1.61 0.04 -1.26 -2.25 135.00 132.30 1day s PRO 92 Ca 0.82 2.58 0.00 0.00 0.04 0.00 0.00 61.00 64.44 1day s PRO 92 Cb -0.38 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1day s PRO 92 CO 0.41 -0.74 0.00 0.09 0.04 0.00 0.00 177.00 176.80 1day n ASN 93 N 3.98 -4.21 -4.65 6.66 3.02 -1.26 -3.71 115.26 115.09 1day n ASN 93 Ca 0.16 0.39 -0.38 0.00 -0.03 0.00 0.00 54.58 54.71 1day n ASN 93 Cb 0.35 -3.81 -0.08 0.00 -0.61 0.00 0.00 39.78 35.64 1day n ASN 93 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1day s ILE 94 N -2.32 5.19 0.20 2.41 -1.09 -0.96 -0.38 121.20 124.25 1day s ILE 94 Ca 0.00 0.66 -0.31 0.00 -2.23 0.00 0.00 60.65 58.78 1day s ILE 94 Cb 0.00 -3.72 -0.16 0.00 -1.58 0.00 0.00 42.46 37.00 1day s ILE 94 CO 0.00 0.21 0.91 0.55 -1.23 0.00 0.00 174.94 175.39 1day n VAL 95 N 4.63 1.47 -3.21 2.92 3.14 -0.97 -4.76 118.33 121.55 1day n VAL 95 Ca -0.08 -0.37 -0.39 0.00 -2.96 0.00 0.00 64.34 60.54 1day n VAL 95 Cb 0.51 -0.55 -0.06 0.00 -1.06 0.00 0.00 33.84 32.68 1day n VAL 95 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1day s LYS 96 N -0.87 4.26 -0.31 1.45 2.20 -1.26 -4.86 119.74 120.35 1day s LYS 96 Ca 0.68 0.52 -0.25 0.00 -0.36 0.00 0.00 55.97 56.55 1day s LYS 96 Cb -0.87 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 31.94 1day s LYS 96 CO 0.56 -0.06 0.88 -1.17 -0.36 0.00 0.00 175.35 175.20 1day s LEU 97 N 1.33 4.05 -0.21 5.43 2.96 -1.26 -1.69 118.68 129.28 1day s LEU 97 Ca 0.27 0.80 0.05 0.00 -0.22 0.00 0.00 54.13 55.03 1day s LEU 97 Cb -0.16 -3.23 -0.21 0.00 0.50 0.00 0.00 46.19 43.10 1day s LEU 97 CO 0.11 -0.69 -0.02 0.18 -1.32 0.00 0.00 176.35 174.61 1day n LEU 98 N 6.39 2.11 -3.71 -0.68 4.77 0.19 -4.98 117.00 121.09 1day n LEU 98 Ca 0.06 -0.02 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 1day n LEU 98 Cb 0.48 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1day n LEU 98 CO 0.53 0.79 0.50 -0.62 -1.33 0.00 0.00 177.39 177.26 1day s ASP 99 N -6.33 -0.34 -0.05 -1.43 -1.08 -1.13 -5.01 116.67 101.30 1day s ASP 99 Ca -0.25 -0.38 -0.01 0.00 -0.52 0.00 0.00 52.55 51.38 1day s ASP 99 Cb 0.08 0.64 0.03 0.00 -1.46 0.00 0.00 42.92 42.21 1day s ASP 99 CO 0.69 -1.15 0.01 -0.63 0.52 0.00 0.00 175.17 174.61 1day s ILE 100 N -3.75 0.27 0.22 4.11 1.01 -1.26 -1.05 121.20 120.75 1day s ILE 100 Ca 0.08 0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.90 1day s ILE 100 Cb -0.04 -0.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 1day s ILE 100 CO 0.00 0.21 -0.02 0.68 0.00 0.00 0.00 174.94 175.82 1day s VAL 101 N 1.64 1.04 0.03 2.92 -7.23 -0.32 -0.45 120.40 118.03 1day s VAL 101 Ca -0.01 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.16 1day s VAL 101 Cb -0.13 -2.27 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 1day s VAL 101 CO -0.03 -0.39 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.15 1day s ARG 102 N -3.85 0.66 -0.07 4.82 0.52 -1.26 0.41 118.95 120.18 1day s ARG 102 Ca 0.27 -0.59 -0.25 0.00 -0.52 0.00 0.00 55.73 54.63 1day s ARG 102 Cb 0.05 -0.58 -0.03 0.00 0.52 0.00 0.00 34.95 34.92 1day s ARG 102 CO 0.07 0.14 0.80 0.34 0.02 0.00 0.00 175.30 176.67 1day s ASP 103 N -0.99 7.08 0.09 0.23 2.15 -0.93 -4.55 116.67 119.75 1day s ASP 103 Ca -0.02 1.30 -0.35 0.00 0.43 0.00 0.00 52.55 53.91 1day s ASP 103 Cb -0.07 -2.46 -0.16 0.00 -0.30 0.00 0.00 42.92 39.93 1day s ASP 103 CO 0.01 -0.21 1.57 -0.61 -0.17 0.00 0.00 175.17 175.75 1day h GLN 104 N 6.88 -0.87 -0.71 4.34 4.15 -1.97 0.63 115.11 127.57 1day h GLN 104 Ca -0.39 0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.17 1day h GLN 104 Cb 1.19 0.20 -0.06 0.00 0.21 0.00 0.00 27.48 29.01 1day h GLN 104 CO 0.77 -0.58 0.38 1.25 -1.93 0.00 0.00 178.83 178.72 1day h HIS 105 N -0.90 0.69 -0.00 3.99 2.76 -2.01 -3.21 115.15 116.47 1day h HIS 105 Ca -0.04 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1day h HIS 105 Cb 0.82 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.58 1day h HIS 105 CO -0.32 0.29 -0.48 -1.13 -1.30 0.00 0.00 177.93 175.00 1day n SER 106 N -4.81 0.65 -2.87 3.26 3.41 -1.21 -5.00 113.62 107.05 1day n SER 106 Ca 0.10 -0.82 -0.21 0.00 -0.26 0.00 0.00 58.87 57.68 1day n SER 106 Cb 0.23 0.92 0.04 0.00 -0.26 0.00 0.00 64.21 65.13 1day n SER 106 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1day n LYS 107 N -1.10 -5.02 -2.67 4.33 4.76 0.22 -4.94 118.16 113.73 1day n LYS 107 Ca 0.03 0.82 -0.43 0.00 -2.87 0.00 0.00 58.31 55.85 1day n LYS 107 Cb 0.18 -5.54 -0.02 0.00 -1.84 0.00 0.00 35.03 27.82 1day n LYS 107 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1day s THR 108 N -3.16 4.55 0.26 -0.18 2.01 -1.24 -4.78 115.64 113.10 1day s THR 108 Ca 0.33 1.69 -0.29 0.00 0.31 0.00 0.00 61.69 63.72 1day s THR 108 Cb -0.14 -4.38 -0.09 0.00 0.01 0.00 0.00 72.50 67.89 1day s THR 108 CO 0.40 -0.44 0.95 -2.16 -0.69 0.00 0.00 174.62 172.68 1day s PRO 109 N 3.56 4.77 -0.05 4.92 0.04 -1.26 -2.19 135.00 144.79 1day s PRO 109 Ca 0.44 1.47 0.06 0.00 0.04 0.00 0.00 61.00 63.00 1day s PRO 109 Cb -0.12 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 1day s PRO 109 CO 0.15 0.43 -0.22 -1.12 0.04 0.00 0.00 177.00 176.28 1day s SER 110 N -1.28 2.68 -0.15 6.66 0.01 0.17 -1.37 113.70 120.43 1day s SER 110 Ca 0.44 -0.44 -0.08 0.00 1.31 0.00 0.00 55.95 57.17 1day s SER 110 Cb -0.24 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.26 1day s SER 110 CO 0.30 0.22 0.15 -0.76 0.41 0.00 0.00 173.24 173.56 1day s LEU 111 N -0.14 4.33 -0.16 2.44 1.43 0.10 -1.17 118.68 125.51 1day s LEU 111 Ca -0.02 0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 53.44 1day s LEU 111 Cb -0.12 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1day s LEU 111 CO 0.03 0.32 -0.03 -0.63 0.23 0.00 0.00 176.35 176.26 1day s ILE 112 N -0.50 3.93 0.31 -0.59 -1.09 -0.21 0.02 121.20 123.06 1day s ILE 112 Ca 0.13 -0.34 0.04 0.00 -2.23 0.00 0.00 60.65 58.25 1day s ILE 112 Cb -0.12 -2.73 -0.06 0.00 -1.58 0.00 0.00 42.46 37.97 1day s ILE 112 CO 0.02 0.48 0.03 -0.36 -1.23 0.00 0.00 174.94 173.89 1day s PHE 113 N 0.44 1.96 1.25 3.97 0.08 -0.05 0.53 117.98 126.15 1day s PHE 113 Ca -0.03 -0.89 -0.16 0.00 0.12 0.00 0.00 56.93 55.96 1day s PHE 113 Cb -0.14 -1.25 0.29 0.00 -0.57 0.00 0.00 43.02 41.35 1day s PHE 113 CO 0.03 0.07 0.79 -0.85 -0.10 0.00 0.00 175.22 175.16 1day n GLU 114 N -0.66 -3.00 -5.00 0.44 0.28 -0.68 -0.21 120.64 111.81 1day n GLU 114 Ca -0.03 -0.86 -0.32 0.00 -0.16 0.00 0.00 57.16 55.78 1day n GLU 114 Cb 0.66 -2.00 -0.14 0.00 1.43 0.00 0.00 31.44 31.39 1day n GLU 114 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 1day s TYR 115 N -2.28 2.62 -0.11 -1.84 5.04 -1.26 -3.77 117.35 115.74 1day s TYR 115 Ca 0.65 -0.32 0.02 0.00 -2.44 0.00 0.00 57.07 54.98 1day s TYR 115 Cb -0.20 -1.62 -0.01 0.00 0.35 0.00 0.00 41.96 40.48 1day s TYR 115 CO 0.62 0.06 -0.17 0.08 -1.34 0.00 0.00 175.55 174.81 1day s VAL 116 N -0.53 2.71 -1.25 3.14 1.01 -1.26 -4.98 120.40 119.24 1day s VAL 116 Ca 0.07 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 1day s VAL 116 Cb -0.11 -2.10 0.09 0.00 0.00 0.00 0.00 36.38 34.26 1day s VAL 116 CO 0.01 0.54 1.63 0.21 0.00 0.00 0.00 175.10 177.49 1day s ASN 117 N 0.27 6.86 0.54 3.32 2.47 -1.26 -4.95 114.94 122.18 1day s ASN 117 Ca -0.12 -2.47 -0.18 0.00 0.42 0.00 0.00 52.86 50.50 1day s ASN 117 Cb -0.16 -2.53 -0.06 0.00 -1.45 0.00 0.00 41.25 37.05 1day s ASN 117 CO 0.06 -1.10 1.08 0.21 -3.72 0.00 0.00 177.10 173.63 1day s ASN 118 N 3.97 5.92 -0.23 -4.21 2.47 -1.26 -4.03 114.94 117.57 1day s ASN 118 Ca 0.50 1.98 -0.02 0.00 0.42 0.00 0.00 52.86 55.74 1day s ASN 118 Cb 0.02 -2.56 0.01 0.00 -1.45 0.00 0.00 41.25 37.27 1day s ASN 118 CO 0.04 -1.08 -0.07 -0.89 -3.72 0.00 0.00 177.10 171.39 1day s THR 119 N -2.06 3.01 0.02 -5.21 2.01 -1.11 -4.97 115.64 107.34 1day s THR 119 Ca 0.68 -0.79 -0.34 0.00 0.31 0.00 0.00 61.69 61.55 1day s THR 119 Cb -0.19 -2.44 -0.17 0.00 0.01 0.00 0.00 72.50 69.71 1day s THR 119 CO 0.28 0.33 0.88 -0.67 -0.69 0.00 0.00 174.62 174.75 1day n ASP 120 N 4.72 -0.16 0.14 3.53 4.64 -1.26 -4.53 116.55 123.63 1day n ASP 120 Ca -0.18 1.03 0.03 0.00 -1.38 0.00 0.00 54.79 54.29 1day n ASP 120 Cb 0.49 -0.82 0.40 0.00 -1.04 0.00 0.00 41.12 40.14 1day n ASP 120 CO 0.00 0.00 0.00 2.19 -0.82 0.00 0.00 177.20 178.57 1day h PHE 121 N 2.42 0.20 0.00 -0.67 -0.00 -1.94 0.39 116.94 117.35 1day h PHE 121 Ca -0.43 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 57.51 1day h PHE 121 Cb 1.28 -0.06 -0.00 0.00 -0.00 0.00 0.00 35.95 37.17 1day h PHE 121 CO 0.49 0.35 -0.03 0.87 -0.00 0.00 0.00 178.31 179.99 1day h LYS 122 N 0.18 0.00 0.00 6.09 1.57 -1.99 -0.07 116.57 122.35 1day h LYS 122 Ca 0.04 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.51 1day h LYS 122 Cb 0.40 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 1day h LYS 122 CO 0.03 0.03 -2.14 0.28 -0.57 0.00 0.00 179.45 177.08 1day n VAL 123 N -3.23 1.15 0.03 0.50 0.31 -0.63 -4.66 118.33 111.80 1day n VAL 123 Ca -0.01 -0.48 -0.13 0.00 -0.01 0.00 0.00 64.34 63.71 1day n VAL 123 Cb 0.21 -1.12 -0.09 0.00 -0.91 0.00 0.00 33.84 31.92 1day n VAL 123 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1day h LEU 124 N 0.00 -0.08 -0.65 7.52 5.85 -0.14 -3.34 115.31 124.47 1day h LEU 124 Ca -0.45 -0.37 0.14 0.00 0.84 0.00 0.00 57.88 58.04 1day h LEU 124 Cb 1.74 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 42.68 1day h LEU 124 CO -0.06 0.34 -0.03 1.88 -0.34 0.00 0.00 178.44 180.23 1day h TYR 125 N -0.51 -0.10 0.00 1.25 -1.99 -1.24 -0.66 116.97 113.72 1day h TYR 125 Ca -0.01 0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1day h TYR 125 Cb 0.44 0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.31 1day h TYR 125 CO 0.06 -0.20 0.00 -2.30 -0.00 0.00 0.00 178.16 175.72 1day n PRO 126 N -5.32 0.15 0.02 4.88 -0.02 -1.25 -1.00 135.00 132.45 1day n PRO 126 Ca 0.10 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.24 1day n PRO 126 Cb 0.38 -1.89 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 1day n PRO 126 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1day n THR 127 N -2.19 0.15 -1.85 3.45 -2.24 -0.26 -4.97 114.28 106.37 1day n THR 127 Ca -0.00 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 1day n THR 127 Cb 0.10 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 1day n THR 127 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1day s LEU 128 N -3.97 4.38 0.96 3.22 1.43 -0.17 -5.01 118.68 119.51 1day s LEU 128 Ca 0.02 2.64 -0.12 0.00 -1.03 0.00 0.00 54.13 55.64 1day s LEU 128 Cb 0.14 -3.58 0.16 0.00 0.03 0.00 0.00 46.19 42.95 1day s LEU 128 CO 0.82 -0.91 1.11 0.42 0.23 0.00 0.00 176.35 178.02 1day s THR 129 N 2.07 2.14 0.17 5.49 -4.23 -1.26 -4.84 115.64 115.18 1day s THR 129 Ca 0.75 0.05 -0.17 0.00 -1.18 0.00 0.00 61.69 61.13 1day s THR 129 Cb -0.44 -2.63 0.11 0.00 1.34 0.00 0.00 72.50 70.89 1day s THR 129 CO 0.33 -0.06 1.66 -0.78 -0.54 0.00 0.00 174.62 175.23 1day h ASP 130 N -1.72 -0.46 -0.62 3.99 -0.00 -1.95 -1.82 116.42 113.85 1day h ASP 130 Ca -0.53 0.14 0.03 0.00 -0.00 0.00 0.00 57.03 56.67 1day h ASP 130 Cb 1.32 0.29 -0.04 0.00 -0.00 0.00 0.00 39.33 40.90 1day h ASP 130 CO 0.59 -0.16 0.37 0.22 -0.00 0.00 0.00 179.24 180.26 1day h TYR 131 N -0.03 0.69 -0.91 0.28 3.20 -1.96 -2.54 116.97 115.71 1day h TYR 131 Ca 0.21 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.22 1day h TYR 131 Cb 0.34 -0.22 -0.09 0.00 1.54 0.00 0.00 36.73 38.30 1day h TYR 131 CO -0.39 0.38 0.53 -0.44 -1.64 0.00 0.00 178.16 176.60 1day h ASP 132 N 0.72 0.72 0.12 -2.11 3.32 -1.68 0.63 116.42 118.15 1day h ASP 132 Ca 0.26 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 1day h ASP 132 Cb 0.06 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1day h ASP 132 CO -0.12 0.36 -0.06 0.40 -1.72 0.00 0.00 179.24 178.10 1day h ILE 133 N 0.80 0.92 -0.29 0.35 2.04 -1.26 0.58 117.51 120.65 1day h ILE 133 Ca 0.47 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 66.23 1day h ILE 133 Cb 0.54 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1day h ILE 133 CO -0.30 0.04 -0.05 0.03 0.00 0.00 0.00 178.15 177.87 1day h ARG 134 N -0.23 0.03 -0.05 2.37 3.08 -0.95 0.76 114.38 119.39 1day h ARG 134 Ca -0.02 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1day h ARG 134 Cb 0.19 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1day h ARG 134 CO 0.03 0.02 0.01 -0.92 -1.07 0.00 0.00 179.97 178.04 1day h TYR 135 N 0.03 0.08 -0.50 3.04 3.20 0.85 -2.18 116.97 121.49 1day h TYR 135 Ca 0.14 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 1day h TYR 135 Cb 0.21 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1day h TYR 135 CO -0.26 0.27 0.07 1.88 -1.64 0.00 0.00 178.16 178.48 1day h TYR 136 N -0.14 0.83 -0.28 -3.82 0.05 0.53 -0.40 116.97 113.74 1day h TYR 136 Ca 0.01 -0.09 -0.11 0.00 0.05 0.00 0.00 58.73 58.59 1day h TYR 136 Cb 0.23 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 1day h TYR 136 CO 0.00 0.73 -0.28 0.82 -1.05 0.00 0.00 178.16 178.38 1day h ILE 137 N 0.76 1.28 -0.32 -2.88 1.08 -0.81 0.11 117.51 116.72 1day h ILE 137 Ca 0.16 -1.36 -0.02 0.00 -0.39 0.00 0.00 64.86 63.26 1day h ILE 137 Cb 0.36 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 1day h ILE 137 CO 0.01 0.43 0.13 0.22 -0.69 0.00 0.00 178.15 178.25 1day h TYR 138 N 0.49 0.49 -0.55 1.37 3.20 -0.89 0.64 116.97 121.72 1day h TYR 138 Ca 0.06 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1day h TYR 138 Cb 0.74 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1day h TYR 138 CO 0.03 0.46 0.22 0.93 -1.64 0.00 0.00 178.16 178.16 1day h GLU 139 N 0.37 0.82 -0.78 1.82 4.39 -0.85 -1.84 114.58 118.50 1day h GLU 139 Ca 0.11 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1day h GLU 139 Cb 0.18 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1day h GLU 139 CO -0.01 0.71 0.29 1.25 -1.16 0.00 0.00 179.01 180.09 1day h LEU 140 N 0.75 1.10 -1.43 1.33 5.85 -0.25 -2.50 115.31 120.16 1day h LEU 140 Ca 0.18 -0.19 0.13 0.00 0.84 0.00 0.00 57.88 58.85 1day h LEU 140 Cb 0.20 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1day h LEU 140 CO -0.01 0.99 0.52 -0.07 -0.34 0.00 0.00 178.44 179.53 1day h LEU 141 N 1.15 0.54 -0.44 2.25 3.38 0.75 -1.13 115.31 121.81 1day h LEU 141 Ca 0.26 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1day h LEU 141 Cb 0.25 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1day h LEU 141 CO -0.02 0.29 0.27 0.11 0.09 0.00 0.00 178.44 179.18 1day h LYS 142 N 0.58 0.59 -0.09 1.13 1.57 -0.89 0.36 116.57 119.82 1day h LYS 142 Ca 0.39 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1day h LYS 142 Cb 0.69 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1day h LYS 142 CO -0.15 0.42 0.05 0.00 -0.57 0.00 0.00 179.45 179.20 1day h ALA 143 N 1.13 0.12 -0.36 3.86 0.00 -1.15 -0.08 119.26 122.78 1day h ALA 143 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1day h ALA 143 Cb -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1day h ALA 143 CO -0.03 -0.35 0.12 -0.07 0.00 0.00 0.00 179.25 178.92 1day h LEU 144 N 0.05 0.51 -1.02 0.00 3.38 -0.98 0.22 115.31 117.47 1day h LEU 144 Ca 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1day h LEU 144 Cb 0.08 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1day h LEU 144 CO -0.01 0.57 0.46 -0.78 0.09 0.00 0.00 178.44 178.78 1day h ASP 145 N 0.43 1.02 -0.56 -0.43 3.58 -0.19 -1.74 116.42 118.53 1day h ASP 145 Ca 0.12 -0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.40 1day h ASP 145 Cb 0.24 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 1day h ASP 145 CO -0.00 0.81 0.00 0.22 -2.88 0.00 0.00 179.24 177.39 1day h TYR 146 N 1.15 1.07 -0.24 0.28 3.20 -0.51 -1.88 116.97 120.05 1day h TYR 146 Ca 0.29 -0.19 -0.15 0.00 3.14 0.00 0.00 58.73 61.82 1day h TYR 146 Cb 0.01 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 1day h TYR 146 CO 0.01 0.97 -0.48 0.00 -1.64 0.00 0.00 178.16 177.02 1day h HIS 148 N 0.50 0.56 0.00 0.00 3.86 -1.30 -0.23 115.15 118.54 1day h HIS 148 Ca 0.03 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1day h HIS 148 Cb 1.02 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1day h HIS 148 CO 0.05 0.39 0.00 0.66 0.86 0.00 0.00 177.93 179.89 1day h SER 149 N 0.57 0.00 -0.69 2.45 4.64 -1.20 0.21 113.55 119.52 1day h SER 149 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1day h SER 149 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1day h SER 149 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 1day n GLN 150 N -2.80 3.45 -0.71 4.77 1.13 -0.79 -4.95 117.38 117.48 1day n GLN 150 Ca -0.00 -2.84 0.00 0.00 -1.94 0.00 0.00 57.00 52.22 1day n GLN 150 Cb 0.18 -1.81 0.00 0.00 0.11 0.00 0.00 30.24 28.72 1day n GLN 150 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1day n GLY 151 N 1.33 0.59 3.12 1.08 0.00 0.73 -4.89 105.19 107.16 1day n GLY 151 Ca 0.26 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 1day n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1day s ILE 152 N -2.00 1.33 -0.11 -0.61 1.01 -0.17 -0.26 121.20 120.39 1day s ILE 152 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 1day s ILE 152 Cb 0.00 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 1day s ILE 152 CO 0.00 0.39 0.27 -0.04 0.00 0.00 0.00 174.94 175.56 1day s MET 153 N 0.03 3.97 -0.02 2.79 -1.94 0.85 -3.22 119.30 121.75 1day s MET 153 Ca -0.03 0.10 -0.25 0.00 -1.71 0.00 0.00 55.69 53.80 1day s MET 153 Cb -0.11 -3.32 -0.19 0.00 2.01 0.00 0.00 34.83 33.23 1day s MET 153 CO 0.02 0.49 1.20 1.25 -0.01 0.00 0.00 175.02 177.96 1day h HIS 154 N 5.77 -0.09 -0.33 -0.03 2.76 -1.92 -0.59 115.15 120.71 1day h HIS 154 Ca -0.47 -0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 57.55 1day h HIS 154 Cb 1.19 0.03 -0.06 0.00 1.55 0.00 0.00 27.41 30.13 1day h HIS 154 CO 0.67 0.36 -0.13 0.54 -1.30 0.00 0.00 177.93 178.07 1day n ARG 155 N -4.91 -0.70 -2.70 5.26 1.74 -1.26 -1.77 116.66 112.32 1day n ARG 155 Ca -0.08 0.68 -0.02 0.00 -0.77 0.00 0.00 57.85 57.65 1day n ARG 155 Cb 0.25 -4.51 0.11 0.00 -1.02 0.00 0.00 32.46 27.30 1day n ARG 155 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1day n ASP 156 N 0.28 -0.88 -4.69 0.55 2.03 -1.26 -1.15 116.55 111.43 1day n ASP 156 Ca -0.07 -2.19 -0.42 0.00 0.52 0.00 0.00 54.79 52.63 1day n ASP 156 Cb 0.28 0.47 -0.03 0.00 -0.72 0.00 0.00 41.12 41.12 1day n ASP 156 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1day s VAL 157 N -0.63 3.39 -0.02 5.18 1.01 -1.26 -4.79 120.40 123.28 1day s VAL 157 Ca 0.13 0.82 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 1day s VAL 157 Cb 0.42 -3.53 0.11 0.00 0.00 0.00 0.00 36.38 33.38 1day s VAL 157 CO -0.11 0.00 1.05 -1.59 0.00 0.00 0.00 175.10 174.45 1day s LYS 158 N 2.38 0.70 0.35 2.72 -2.85 -1.26 -4.77 119.74 117.01 1day s LYS 158 Ca 0.68 -0.31 0.07 0.00 -1.00 0.00 0.00 55.97 55.41 1day s LYS 158 Cb -0.35 0.28 0.77 0.00 -2.06 0.00 0.00 37.83 36.47 1day s LYS 158 CO 0.29 -0.31 1.89 -1.35 0.10 0.00 0.00 175.35 175.97 1day h PRO 159 N 2.00 0.72 0.00 1.78 0.11 -1.92 -2.20 132.00 132.49 1day h PRO 159 Ca -0.20 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 1day h PRO 159 Cb 1.21 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1day h PRO 159 CO 0.27 0.48 -0.04 0.45 -0.21 0.00 0.00 178.00 178.95 1day h HIS 160 N 0.74 0.00 -0.57 0.65 3.86 -1.97 -1.93 115.15 115.94 1day h HIS 160 Ca 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 1day h HIS 160 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1day h HIS 160 CO -0.00 0.04 0.00 0.09 0.86 0.00 0.00 177.93 178.92 1day n ASN 161 N -4.15 3.43 -3.97 2.45 3.02 -0.83 -4.76 115.26 110.45 1day n ASN 161 Ca -0.03 -2.12 -0.31 0.00 -0.03 0.00 0.00 54.58 52.09 1day n ASN 161 Cb 0.13 -0.44 -0.15 0.00 -0.61 0.00 0.00 39.78 38.71 1day n ASN 161 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1day s VAL 162 N -1.40 2.01 0.04 2.41 1.01 -0.73 -1.43 120.40 122.31 1day s VAL 162 Ca 0.40 -2.15 -0.27 0.00 0.00 0.00 0.00 61.98 59.96 1day s VAL 162 Cb 0.23 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1day s VAL 162 CO 0.25 -0.60 0.85 -0.04 0.00 0.00 0.00 175.10 175.56 1day s MET 163 N 1.04 4.55 -0.11 2.72 -1.94 -0.94 -4.94 119.30 119.69 1day s MET 163 Ca 0.10 1.22 -0.00 0.00 -1.71 0.00 0.00 55.69 55.30 1day s MET 163 Cb -0.19 -3.40 0.02 0.00 2.01 0.00 0.00 34.83 33.28 1day s MET 163 CO -0.11 0.16 -0.08 0.42 -0.01 0.00 0.00 175.02 175.40 1day s ILE 164 N 0.32 1.05 -0.67 2.53 1.01 -1.26 -2.04 121.20 122.13 1day s ILE 164 Ca 0.43 -0.31 -0.19 0.00 0.00 0.00 0.00 60.65 60.58 1day s ILE 164 Cb -0.21 -1.06 0.11 0.00 0.01 0.00 0.00 42.46 41.31 1day s ILE 164 CO 0.25 0.37 0.83 -0.62 0.00 0.00 0.00 174.94 175.78 1day s ASP 165 N 1.65 6.28 0.14 3.58 -1.08 -0.42 -2.76 116.67 124.06 1day s ASP 165 Ca 0.04 -1.50 -0.17 0.00 -0.52 0.00 0.00 52.55 50.40 1day s ASP 165 Cb -0.13 -2.34 -0.02 0.00 -1.46 0.00 0.00 42.92 38.98 1day s ASP 165 CO -0.08 -1.15 1.78 -0.74 0.52 0.00 0.00 175.17 175.50 1day h HIS 166 N 9.14 0.43 -0.45 -5.34 -0.00 -1.83 0.50 115.15 117.60 1day h HIS 166 Ca -0.20 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.24 1day h HIS 166 Cb 1.07 -0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 28.29 1day h HIS 166 CO 0.93 0.29 0.14 1.49 -0.00 0.00 0.00 177.93 180.78 1day h GLU 167 N 0.44 0.29 0.00 5.26 4.81 -1.92 -1.61 114.58 121.84 1day h GLU 167 Ca 0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1day h GLU 167 Cb -0.02 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1day h GLU 167 CO -0.02 0.19 -0.17 1.28 -0.73 0.00 0.00 179.01 179.56 1day n LEU 168 N -5.04 0.21 -3.32 1.64 4.77 -0.99 -4.92 117.00 109.35 1day n LEU 168 Ca 0.04 0.35 -0.24 0.00 -0.03 0.00 0.00 56.01 56.13 1day n LEU 168 Cb 0.18 -0.41 0.04 0.00 -2.33 0.00 0.00 43.42 40.91 1day n LEU 168 CO 0.24 0.03 0.08 0.54 -1.33 0.00 0.00 177.39 176.95 1day n ARG 169 N -1.56 -5.67 -4.03 3.23 1.74 0.17 -4.97 116.66 105.56 1day n ARG 169 Ca 0.06 0.81 -0.36 0.00 -0.77 0.00 0.00 57.85 57.59 1day n ARG 169 Cb 0.35 -5.71 -0.08 0.00 -1.02 0.00 0.00 32.46 26.00 1day n ARG 169 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1day s LYS 170 N -6.01 3.42 0.03 5.56 2.20 -0.81 -4.98 119.74 119.15 1day s LYS 170 Ca 0.44 -0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.84 1day s LYS 170 Cb -0.20 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.01 1day s LYS 170 CO 0.54 0.66 -0.12 -1.17 -0.36 0.00 0.00 175.35 174.90 1day s LEU 171 N -0.72 2.17 -0.02 5.43 0.20 -1.26 -1.30 118.68 123.17 1day s LEU 171 Ca 0.13 -0.43 0.01 0.00 0.69 0.00 0.00 54.13 54.52 1day s LEU 171 Cb -0.12 -0.48 0.01 0.00 -0.43 0.00 0.00 46.19 45.17 1day s LEU 171 CO 0.03 -0.01 -0.03 -0.13 -0.29 0.00 0.00 176.35 175.92 1day s ARG 172 N -1.11 0.39 -0.40 1.98 1.81 -0.87 -4.55 118.95 116.21 1day s ARG 172 Ca -0.01 -0.07 -0.22 0.00 -1.72 0.00 0.00 55.73 53.72 1day s ARG 172 Cb -0.08 -0.44 0.01 0.00 -0.45 0.00 0.00 34.95 33.99 1day s ARG 172 CO 0.01 -0.01 0.70 -1.17 -0.68 0.00 0.00 175.30 174.15 1day s LEU 173 N 0.40 4.29 0.00 2.53 2.96 0.48 -2.22 118.68 127.12 1day s LEU 173 Ca -0.04 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1day s LEU 173 Cb -0.07 -2.86 0.02 0.00 0.50 0.00 0.00 46.19 43.77 1day s LEU 173 CO -0.01 -0.74 0.14 2.30 -1.32 0.00 0.00 176.35 176.72 1day n ILE 174 N 5.82 0.00 -3.10 6.68 -5.35 -0.51 -2.29 119.36 120.60 1day n ILE 174 Ca 0.00 -0.47 -0.13 0.00 -0.27 0.00 0.00 62.75 61.89 1day n ILE 174 Cb 0.48 -0.64 0.01 0.00 -1.74 0.00 0.00 39.64 37.75 1day n ILE 174 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1day n ASP 175 N -2.41 -6.91 -1.58 7.28 2.03 -1.26 -4.86 116.55 108.83 1day n ASP 175 Ca 0.02 0.51 0.08 0.00 0.52 0.00 0.00 54.79 55.92 1day n ASP 175 Cb 0.14 -3.28 0.34 0.00 -0.72 0.00 0.00 41.12 37.60 1day n ASP 175 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1day n TRP 176 N 0.41 1.54 0.30 -0.67 7.02 -1.26 -4.49 117.44 120.29 1day n TRP 176 Ca 0.00 -0.58 0.18 0.00 -1.02 0.00 0.00 57.50 56.08 1day n TRP 176 Cb 0.43 -0.31 0.83 0.00 -2.42 0.00 0.00 31.31 29.84 1day n TRP 176 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1day h GLY 177 N 4.27 0.00 -0.35 6.99 0.00 -1.91 -2.54 103.07 109.53 1day h GLY 177 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1day h GLY 177 CO 0.29 0.00 -0.43 1.04 0.00 0.00 0.00 176.54 177.44 1day n LEU 178 N -2.98 1.09 -4.64 3.11 4.77 -1.26 -4.92 117.00 112.17 1day n LEU 178 Ca -0.00 -0.65 -0.37 0.00 -0.03 0.00 0.00 56.01 54.96 1day n LEU 178 Cb 0.22 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.37 1day n LEU 178 CO 0.24 0.23 0.62 0.00 -1.33 0.00 0.00 177.39 177.14 1day n ALA 179 N -0.67 0.27 -2.81 -1.18 0.00 -0.73 -4.70 120.51 110.69 1day n ALA 179 Ca 0.04 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 1day n ALA 179 Cb 0.25 -2.16 -0.08 0.00 0.00 0.00 0.00 19.45 17.46 1day n ALA 179 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1day s GLU 180 N -3.08 0.76 0.10 0.00 0.41 -0.23 -4.85 118.70 111.81 1day s GLU 180 Ca 0.77 -0.69 -0.30 0.00 -0.41 0.00 0.00 54.97 54.34 1day s GLU 180 Cb -0.38 0.31 -0.06 0.00 -1.78 0.00 0.00 34.13 32.22 1day s GLU 180 CO 0.46 -0.23 1.16 -0.06 -0.49 0.00 0.00 175.26 176.10 1day s PHE 181 N -2.90 3.49 -0.19 1.61 0.40 -1.26 -0.11 117.98 119.02 1day s PHE 181 Ca -0.02 1.41 -0.19 0.00 -0.60 0.00 0.00 56.93 57.52 1day s PHE 181 Cb 0.00 -3.37 -0.03 0.00 0.51 0.00 0.00 43.02 40.14 1day s PHE 181 CO -0.06 -1.03 0.56 -0.47 0.70 0.00 0.00 175.22 174.93 1day s TYR 182 N 0.61 3.38 -0.11 0.36 5.04 0.64 -4.88 117.35 122.40 1day s TYR 182 Ca 0.55 0.84 0.01 0.00 -2.44 0.00 0.00 57.07 56.03 1day s TYR 182 Cb -0.29 -2.72 0.02 0.00 0.35 0.00 0.00 41.96 39.32 1day s TYR 182 CO 0.31 -0.12 -0.11 -1.01 -1.34 0.00 0.00 175.55 173.29 1day s HIS 183 N 1.69 1.64 0.04 4.97 3.76 -1.26 -4.45 115.29 121.67 1day s HIS 183 Ca 0.26 -0.79 -0.33 0.00 -0.15 0.00 0.00 55.06 54.05 1day s HIS 183 Cb -0.16 -1.27 -0.12 0.00 1.11 0.00 0.00 32.58 32.14 1day s HIS 183 CO 0.10 -0.48 1.79 -2.30 -0.85 0.00 0.00 174.74 173.00 1day n PRO 184 N 4.55 2.33 0.00 8.40 -0.01 -1.26 -2.16 135.00 146.86 1day n PRO 184 Ca -0.16 0.85 0.00 0.00 -0.01 0.00 0.00 63.50 64.18 1day n PRO 184 Cb 0.51 -2.69 0.00 0.00 -0.01 0.00 0.00 33.50 31.31 1day n PRO 184 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1day n GLY 185 N 4.07 2.93 3.71 -1.23 0.00 -1.26 -5.04 105.19 108.37 1day n GLY 185 Ca 0.20 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1day n GLY 185 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1day n LYS 186 N 0.00 2.47 -3.19 1.61 4.81 -0.92 -4.84 118.16 118.10 1day n LYS 186 Ca 0.00 0.88 -0.39 0.00 -0.87 0.00 0.00 58.31 57.94 1day n LYS 186 Cb 0.00 -2.66 -0.05 0.00 0.02 0.00 0.00 35.03 32.34 1day n LYS 186 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1day s GLU 187 N 0.28 4.37 0.30 1.64 2.02 -1.26 -4.13 118.70 121.93 1day s GLU 187 Ca 0.71 0.64 0.09 0.00 0.02 0.00 0.00 54.97 56.43 1day s GLU 187 Cb -0.57 -3.45 -0.05 0.00 0.10 0.00 0.00 34.13 30.16 1day s GLU 187 CO 0.42 0.09 0.00 0.71 0.02 0.00 0.00 175.26 176.50 1day s TYR 188 N 0.78 2.60 0.30 1.61 2.02 0.16 -4.92 117.35 119.91 1day s TYR 188 Ca 0.31 -0.33 -0.29 0.00 -0.37 0.00 0.00 57.07 56.39 1day s TYR 188 Cb -0.16 -1.33 -0.10 0.00 -0.40 0.00 0.00 41.96 39.96 1day s TYR 188 CO 0.14 0.54 1.24 1.21 -1.57 0.00 0.00 175.55 177.11 1day s ASN 189 N -3.70 6.94 0.00 2.29 3.84 -1.26 -4.63 114.94 118.43 1day s ASN 189 Ca 0.33 2.52 0.24 0.00 0.21 0.00 0.00 52.86 56.17 1day s ASN 189 Cb -0.04 -2.64 0.89 0.00 -0.55 0.00 0.00 41.25 38.91 1day s ASN 189 CO 0.20 -0.41 1.64 1.33 -2.79 0.00 0.00 177.10 177.07 1day n VAL 190 N 1.13 0.12 -2.32 -5.21 0.24 -1.26 -4.49 118.33 106.54 1day n VAL 190 Ca 0.00 -0.31 -0.43 0.00 -2.04 0.00 0.00 64.34 61.57 1day n VAL 190 Cb 0.43 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 1day n VAL 190 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1day n ARG 191 N 0.26 3.36 -4.06 7.34 1.74 -1.26 -4.87 116.66 119.17 1day n ARG 191 Ca 0.17 -3.34 -0.10 0.00 -0.77 0.00 0.00 57.85 53.82 1day n ARG 191 Cb 0.34 -3.08 -0.08 0.00 -1.02 0.00 0.00 32.46 28.61 1day n ARG 191 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1day s VAL 192 N 1.61 0.07 0.44 1.55 -7.23 -1.26 -5.12 120.40 110.45 1day s VAL 192 Ca 0.43 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1day s VAL 192 Cb 0.08 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 35.00 1day s VAL 192 CO -0.01 -0.31 0.00 0.00 -0.31 0.00 0.00 175.10 174.47 1day n ALA 193 N -0.18 -2.84 -1.79 1.32 0.00 -0.30 -4.85 120.51 111.86 1day n ALA 193 Ca -0.05 0.65 -0.36 0.00 0.00 0.00 0.00 53.44 53.68 1day n ALA 193 Cb 0.64 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 1day n ALA 193 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1day s SER 194 N -6.53 7.02 0.26 0.00 0.15 -1.26 -4.85 113.70 108.48 1day s SER 194 Ca 0.00 1.85 -0.10 0.00 0.70 0.00 0.00 55.95 58.41 1day s SER 194 Cb 0.00 -2.57 0.39 0.00 -1.71 0.00 0.00 66.02 62.13 1day s SER 194 CO 0.00 -0.30 1.58 -0.09 1.20 0.00 0.00 173.24 175.63 1day h ARG 195 N 2.55 0.00 0.00 5.44 2.43 -1.97 0.08 114.38 122.90 1day h ARG 195 Ca -0.48 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1day h ARG 195 Cb 1.20 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1day h ARG 195 CO 0.63 0.00 0.00 1.88 -1.51 0.00 0.00 179.97 180.97 1day h TYR 196 N 0.00 0.00 -0.14 2.20 0.05 -1.91 -2.70 116.97 114.47 1day h TYR 196 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.20 1day h TYR 196 Cb 0.64 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.38 1day h TYR 196 CO -0.68 0.00 0.00 1.19 -1.05 0.00 0.00 178.16 177.62 1day n PHE 197 N -2.87 0.18 -2.32 4.88 3.72 -0.06 -4.64 117.46 116.35 1day n PHE 197 Ca -0.01 -0.22 -0.42 0.00 -0.05 0.00 0.00 57.45 56.76 1day n PHE 197 Cb 0.14 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 1day n PHE 197 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1day s LYS 198 N -0.89 4.43 0.52 -1.08 1.02 -0.77 -4.08 119.74 118.88 1day s LYS 198 Ca 0.15 1.93 -0.12 0.00 0.02 0.00 0.00 55.97 57.95 1day s LYS 198 Cb 0.09 -3.25 -0.06 0.00 -0.52 0.00 0.00 37.83 34.09 1day s LYS 198 CO 0.13 -0.22 0.93 0.20 -0.92 0.00 0.00 175.35 175.47 1day s GLY 199 N 0.52 1.84 0.32 -3.33 0.00 -1.26 -4.93 107.32 100.49 1day s GLY 199 Ca 0.57 -0.07 0.11 0.00 0.00 0.00 0.00 44.72 45.32 1day s GLY 199 CO 0.34 0.17 1.70 -2.55 0.00 0.00 0.00 173.10 172.76 1day h PRO 200 N 0.53 0.45 -0.64 2.90 0.11 -1.93 0.36 132.00 133.79 1day h PRO 200 Ca -0.46 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.65 1day h PRO 200 Cb 1.19 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1day h PRO 200 CO 0.62 0.30 0.42 1.05 -0.21 0.00 0.00 178.00 180.18 1day h GLU 201 N 0.47 0.76 -0.27 1.05 9.09 -1.89 -1.47 114.58 122.32 1day h GLU 201 Ca 0.67 -0.05 -0.18 0.00 0.05 0.00 0.00 59.36 59.86 1day h GLU 201 Cb 1.38 -0.17 -0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1day h GLU 201 CO -0.53 0.50 -0.54 -0.07 0.05 0.00 0.00 179.01 178.42 1day h LEU 202 N 0.78 0.88 -0.98 3.06 3.38 -0.52 0.20 115.31 122.12 1day h LEU 202 Ca 0.25 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1day h LEU 202 Cb 0.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1day h LEU 202 CO -0.07 1.24 0.00 -0.07 0.09 0.00 0.00 178.44 179.64 1day h LEU 203 N 0.61 0.00 -3.04 1.67 3.38 -0.94 -3.14 115.31 113.85 1day h LEU 203 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1day h LEU 203 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1day h LEU 203 CO 0.12 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.98 1day n VAL 204 N -2.97 1.80 -3.29 1.22 0.24 -0.64 -4.91 118.33 109.77 1day n VAL 204 Ca 0.02 -1.98 -0.21 0.00 -2.04 0.00 0.00 64.34 60.13 1day n VAL 204 Cb 0.36 -0.11 0.06 0.00 -1.47 0.00 0.00 33.84 32.67 1day n VAL 204 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1day n ASP 205 N -1.08 -5.88 -4.47 -1.34 9.92 -1.15 -4.95 116.55 107.61 1day n ASP 205 Ca 0.14 -0.40 -0.43 0.00 -0.53 0.00 0.00 54.79 53.57 1day n ASP 205 Cb 0.62 -4.57 -0.06 0.00 -0.64 0.00 0.00 41.12 36.47 1day n ASP 205 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1day s LEU 206 N -6.47 4.72 0.30 0.64 0.20 0.69 -4.91 118.68 113.86 1day s LEU 206 Ca 0.44 -0.70 0.20 0.00 0.69 0.00 0.00 54.13 54.75 1day s LEU 206 Cb -0.19 -2.56 0.14 0.00 -0.43 0.00 0.00 46.19 43.14 1day s LEU 206 CO 0.54 -0.93 1.36 1.56 -0.29 0.00 0.00 176.35 178.59 1day h GLN 207 N 9.03 0.00 -3.31 1.98 4.20 -1.82 -3.39 115.11 121.79 1day h GLN 207 Ca -0.27 0.00 -0.75 0.00 0.06 0.00 0.00 58.65 57.69 1day h GLN 207 Cb 1.09 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.73 1day h GLN 207 CO 0.97 0.18 2.21 -0.40 -0.67 0.00 0.00 178.83 181.12 1day n ASP 208 N -3.03 5.75 -4.85 1.46 5.75 -1.26 0.40 116.55 120.77 1day n ASP 208 Ca 0.01 -3.09 -0.21 0.00 -0.01 0.00 0.00 54.79 51.48 1day n ASP 208 Cb 0.63 -1.46 0.08 0.00 -1.03 0.00 0.00 41.12 39.34 1day n ASP 208 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1day s TYR 209 N 0.21 1.67 0.00 2.11 -0.85 -1.26 -4.66 117.35 114.57 1day s TYR 209 Ca 0.44 -0.44 0.00 0.00 -0.52 0.00 0.00 57.07 56.54 1day s TYR 209 Cb 0.12 -2.64 0.00 0.00 0.38 0.00 0.00 41.96 39.82 1day s TYR 209 CO -0.02 -1.36 0.00 -0.40 -1.52 0.00 0.00 175.55 172.25 1day n ASP 210 N -2.51 0.00 -0.18 -0.18 5.68 -1.26 -4.92 116.55 113.17 1day n ASP 210 Ca 0.14 -0.21 0.30 0.00 -0.50 0.00 0.00 54.79 54.53 1day n ASP 210 Cb 0.61 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.29 1day n ASP 210 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 1day h TYR 211 N 0.21 0.00 0.00 2.11 0.05 -1.93 0.14 116.97 117.55 1day h TYR 211 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1day h TYR 211 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1day h TYR 211 CO 0.00 0.00 0.00 -1.13 -1.05 0.00 0.00 178.16 175.98 1day n SER 212 N -3.88 0.52 -0.29 3.88 3.41 -1.26 -1.22 113.62 114.78 1day n SER 212 Ca 0.20 0.67 -0.04 0.00 -0.26 0.00 0.00 58.87 59.44 1day n SER 212 Cb 1.11 -0.76 0.10 0.00 -0.26 0.00 0.00 64.21 64.40 1day n SER 212 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1day h LEU 213 N 0.00 1.07 -1.49 1.04 5.85 -1.07 -2.56 115.31 118.15 1day h LEU 213 Ca 0.00 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1day h LEU 213 Cb 0.21 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1day h LEU 213 CO 0.00 0.90 -0.07 0.44 -0.34 0.00 0.00 178.44 179.37 1day h ASP 214 N 1.17 0.23 -0.55 1.25 3.32 -1.38 -1.99 116.42 118.47 1day h ASP 214 Ca 0.28 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 1day h ASP 214 Cb 0.11 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1day h ASP 214 CO -0.04 0.33 0.05 0.24 -1.72 0.00 0.00 179.24 178.11 1day h MET 215 N 0.24 0.98 -0.31 3.56 2.86 -1.56 0.31 114.93 121.02 1day h MET 215 Ca 0.05 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.39 1day h MET 215 Cb 0.28 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1day h MET 215 CO 0.01 0.93 0.05 2.35 1.06 0.00 0.00 176.91 181.32 1day h TRP 216 N 0.91 0.54 -0.54 -0.22 2.91 -1.03 -0.63 115.95 117.90 1day h TRP 216 Ca 0.18 -0.08 0.04 0.00 1.13 0.00 0.00 58.89 60.16 1day h TRP 216 Cb 0.46 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 28.92 1day h TRP 216 CO 0.03 0.59 0.30 0.77 -1.03 0.00 0.00 178.44 179.11 1day h SER 217 N 0.34 0.47 -0.58 2.65 0.02 -1.17 0.13 113.55 115.41 1day h SER 217 Ca 0.09 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1day h SER 217 Cb 0.34 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1day h SER 217 CO 0.01 0.32 0.34 0.25 -1.14 0.00 0.00 176.83 176.61 1day h LEU 218 N 0.59 0.53 -1.24 5.07 7.12 -0.16 -1.48 115.31 125.74 1day h LEU 218 Ca 0.23 0.01 0.06 0.00 0.13 0.00 0.00 57.88 58.31 1day h LEU 218 Cb 0.08 -0.10 -0.05 0.00 -0.53 0.00 0.00 40.66 40.06 1day h LEU 218 CO -0.13 0.36 0.54 1.23 -0.13 0.00 0.00 178.44 180.32 1day h GLY 219 N 0.65 1.17 0.93 3.75 0.00 -0.10 0.14 103.07 109.60 1day h GLY 219 Ca 0.24 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1day h GLY 219 CO -0.13 0.28 0.14 0.00 0.00 0.00 0.00 176.54 176.83 1day h MET 221 N 0.43 0.83 -0.56 0.00 2.07 -0.17 -2.38 114.93 115.15 1day h MET 221 Ca 0.12 -0.09 -0.04 0.00 -2.07 0.00 0.00 59.70 57.61 1day h MET 221 Cb 0.20 -0.16 -0.02 0.00 -1.87 0.00 0.00 31.60 29.74 1day h MET 221 CO -0.01 0.63 0.17 0.35 1.07 0.00 0.00 176.91 179.12 1day h PHE 222 N 0.80 0.89 -0.33 -0.22 3.57 -0.53 -1.15 116.94 119.98 1day h PHE 222 Ca 0.21 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1day h PHE 222 Cb 0.04 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 1day h PHE 222 CO -0.01 0.75 0.12 0.00 -2.23 0.00 0.00 178.31 176.95 1day h ALA 223 N 1.04 0.38 -0.57 2.41 0.00 -0.56 -0.19 119.26 121.78 1day h ALA 223 Ca 0.18 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1day h ALA 223 Cb 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1day h ALA 223 CO -0.01 -0.27 0.31 0.78 0.00 0.00 0.00 179.25 180.06 1day h GLY 224 N 0.27 0.81 0.89 0.00 0.00 -1.28 0.28 103.07 104.04 1day h GLY 224 Ca 0.15 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 1day h GLY 224 CO -0.14 0.15 -0.23 -0.33 0.00 0.00 0.00 176.54 175.99 1day h MET 225 N 0.59 0.58 0.00 4.80 2.07 -0.65 0.19 114.93 122.52 1day h MET 225 Ca 0.25 -0.30 -0.15 0.00 -2.07 0.00 0.00 59.70 57.42 1day h MET 225 Cb 0.12 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 29.84 1day h MET 225 CO -0.15 0.89 -0.73 -0.84 1.07 0.00 0.00 176.91 177.15 1day h ILE 226 N 0.28 1.36 -0.02 -1.22 3.07 -0.86 -3.13 117.51 117.00 1day h ILE 226 Ca 0.04 -2.66 0.00 0.00 1.55 0.00 0.00 64.86 63.79 1day h ILE 226 Cb 0.78 2.50 0.00 0.00 -0.27 0.00 0.00 36.82 39.83 1day h ILE 226 CO 0.06 0.72 -0.23 0.49 -1.05 0.00 0.00 178.15 178.14 1day n PHE 227 N -3.43 0.00 -3.46 0.16 3.72 0.98 -4.53 117.46 110.90 1day n PHE 227 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 1day n PHE 227 Cb 0.78 -0.03 0.06 0.00 -0.94 0.00 0.00 39.48 39.35 1day n PHE 227 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1day n ARG 228 N 0.21 -2.87 -3.32 -1.08 5.12 0.53 -4.82 116.66 110.43 1day n ARG 228 Ca 0.13 0.71 -0.11 0.00 -1.93 0.00 0.00 57.85 56.65 1day n ARG 228 Cb 0.45 -5.26 -0.06 0.00 -1.16 0.00 0.00 32.46 26.43 1day n ARG 228 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1day s LYS 229 N -5.19 0.51 -0.16 5.56 2.20 -0.32 -5.04 119.74 117.29 1day s LYS 229 Ca 0.34 -0.20 -0.03 0.00 -0.36 0.00 0.00 55.97 55.72 1day s LYS 229 Cb -0.07 -0.41 -0.02 0.00 -1.51 0.00 0.00 37.83 35.82 1day s LYS 229 CO 0.78 -1.09 -0.05 -2.00 -0.36 0.00 0.00 175.35 172.63 1day s GLU 230 N 2.16 3.60 0.47 4.03 -6.30 -1.26 -1.08 118.70 120.31 1day s GLU 230 Ca 0.12 -0.55 -0.14 0.00 -2.50 0.00 0.00 54.97 51.90 1day s GLU 230 Cb -0.12 -2.91 -0.07 0.00 0.00 0.00 0.00 34.13 31.02 1day s GLU 230 CO -0.21 0.16 0.89 -1.25 0.02 0.00 0.00 175.26 174.88 1day s PRO 231 N 0.56 3.88 0.32 4.30 0.04 -1.26 -5.05 135.00 137.78 1day s PRO 231 Ca -0.03 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1day s PRO 231 Cb -0.14 -2.24 0.53 0.00 0.04 0.00 0.00 34.50 32.69 1day s PRO 231 CO 0.03 -0.17 1.97 0.35 0.04 0.00 0.00 177.00 179.22 1day h PHE 232 N 1.06 0.89 -3.48 0.56 3.57 -1.35 -3.36 116.94 114.82 1day h PHE 232 Ca -0.47 0.01 -0.70 0.00 3.53 0.00 0.00 57.97 60.34 1day h PHE 232 Cb 1.19 -0.30 -0.34 0.00 2.79 0.00 0.00 35.95 39.29 1day h PHE 232 CO 0.63 0.59 -0.49 -0.06 -2.23 0.00 0.00 178.31 176.74 1day s PHE 233 N -5.73 3.54 -0.91 0.41 0.08 -1.26 -5.04 117.98 109.07 1day s PHE 233 Ca -0.11 -2.43 -0.04 0.00 0.12 0.00 0.00 56.93 54.47 1day s PHE 233 Cb 0.17 -3.25 0.23 0.00 -0.57 0.00 0.00 43.02 39.60 1day s PHE 233 CO 0.78 -0.95 0.81 -0.47 -0.10 0.00 0.00 175.22 175.30 1day s TYR 234 N 0.89 3.92 0.19 0.36 5.04 -1.26 -4.58 117.35 121.92 1day s TYR 234 Ca 0.10 -2.89 0.04 0.00 -2.44 0.00 0.00 57.07 51.87 1day s TYR 234 Cb -0.22 -3.38 -0.03 0.00 0.35 0.00 0.00 41.96 38.67 1day s TYR 234 CO -0.04 -0.80 0.31 0.20 -1.34 0.00 0.00 175.55 173.88 1day s GLY 235 N 0.32 1.51 0.14 8.97 0.00 -1.26 -4.98 107.32 112.01 1day s GLY 235 Ca 0.27 -1.12 0.24 0.00 0.00 0.00 0.00 44.72 44.11 1day s GLY 235 CO -0.11 -1.13 1.28 0.45 0.00 0.00 0.00 173.10 173.59 1day h HIS 236 N 1.77 0.00 -2.99 1.90 -0.00 -1.97 -3.45 115.15 110.41 1day h HIS 236 Ca -0.50 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 59.90 1day h HIS 236 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.60 1day h HIS 236 CO 0.50 0.00 0.26 0.16 -0.00 0.00 0.00 177.93 178.85 1day s ASP 237 N -4.45 -0.12 0.07 2.45 -4.77 -1.26 -5.04 116.67 103.55 1day s ASP 237 Ca 0.05 -0.88 -0.36 0.00 -3.30 0.00 0.00 52.55 48.06 1day s ASP 237 Cb 0.13 0.79 -0.19 0.00 -1.09 0.00 0.00 42.92 42.56 1day s ASP 237 CO 0.73 -1.52 1.58 0.78 0.70 0.00 0.00 175.17 177.44 1day h ASN 238 N 2.00 -1.16 -0.90 2.11 2.35 -1.97 0.81 115.58 118.82 1day h ASN 238 Ca -0.26 0.07 0.16 0.00 -0.55 0.00 0.00 56.30 55.72 1day h ASN 238 Cb 1.25 0.34 -0.16 0.00 0.05 0.00 0.00 38.32 39.80 1day h ASN 238 CO 0.32 -0.71 -0.31 0.45 -1.65 0.00 0.00 177.43 175.53 1day h HIS 239 N -1.13 -0.81 -0.14 1.19 3.86 -1.99 1.21 115.15 117.35 1day h HIS 239 Ca -0.10 0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1day h HIS 239 Cb 0.91 0.49 -0.01 0.00 1.06 0.00 0.00 27.41 29.86 1day h HIS 239 CO -0.11 -0.40 -0.14 0.22 0.86 0.00 0.00 177.93 178.37 1day h ASP 240 N -0.03 0.21 -0.41 2.45 3.58 -1.92 -1.73 116.42 118.57 1day h ASP 240 Ca 0.37 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 1day h ASP 240 Cb 0.62 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 1day h ASP 240 CO -0.92 0.37 0.20 -0.61 -2.88 0.00 0.00 179.24 175.40 1day h GLN 241 N 0.21 0.59 -0.63 0.28 5.75 0.39 -0.32 115.11 121.38 1day h GLN 241 Ca 0.04 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1day h GLN 241 Cb 0.37 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 1day h GLN 241 CO 0.02 0.50 0.36 1.25 -2.65 0.00 0.00 178.83 178.32 1day h LEU 242 N 0.52 0.76 -0.73 -2.39 5.85 -0.28 -2.20 115.31 116.86 1day h LEU 242 Ca 0.14 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1day h LEU 242 Cb 0.11 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1day h LEU 242 CO -0.02 0.62 0.43 0.58 -0.34 0.00 0.00 178.44 179.71 1day h VAL 243 N 0.85 1.03 -0.76 1.05 2.07 -0.82 0.41 116.25 120.07 1day h VAL 243 Ca 0.22 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1day h VAL 243 Cb 0.01 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.88 1day h VAL 243 CO -0.04 0.15 0.50 0.11 0.02 0.00 0.00 177.57 178.31 1day h LYS 244 N 0.81 0.99 0.45 1.57 1.79 -0.69 -1.32 116.57 120.17 1day h LYS 244 Ca 0.31 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.70 1day h LYS 244 Cb 0.13 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1day h LYS 244 CO -0.16 0.66 -0.22 0.82 -1.08 0.00 0.00 179.45 179.47 1day h ILE 245 N 1.02 0.55 -0.52 1.86 2.04 -0.71 -3.10 117.51 118.65 1day h ILE 245 Ca 0.28 -0.17 0.15 0.00 1.00 0.00 0.00 64.86 66.12 1day h ILE 245 Cb -0.10 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1day h ILE 245 CO -0.07 0.03 0.37 0.00 0.00 0.00 0.00 178.15 178.49 1day h ALA 246 N -0.20 2.49 -0.00 1.87 0.00 -0.68 0.11 119.26 122.84 1day h ALA 246 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1day h ALA 246 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1day h ALA 246 CO 0.10 -0.63 -0.04 1.63 0.00 0.00 0.00 179.25 180.31 1day n LYS 247 N -4.38 0.59 -0.08 0.00 5.02 -0.52 -1.27 118.16 117.51 1day n LYS 247 Ca 0.09 -0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.18 1day n LYS 247 Cb 0.59 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.06 1day n LYS 247 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1day n VAL 248 N -1.13 1.38 0.65 -0.18 0.31 0.24 -4.47 118.33 115.12 1day n VAL 248 Ca 0.15 0.04 0.12 0.00 -0.01 0.00 0.00 64.34 64.64 1day n VAL 248 Cb 0.24 -2.07 0.46 0.00 -0.91 0.00 0.00 33.84 31.56 1day n VAL 248 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1day n LEU 249 N -4.18 0.49 0.00 7.52 4.77 -0.39 -0.51 117.00 124.70 1day n LEU 249 Ca -0.21 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1day n LEU 249 Cb 0.54 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1day n LEU 249 CO 0.12 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 1day n GLY 250 N 0.90 -1.94 0.06 -0.72 0.00 -0.40 -4.59 105.19 98.51 1day n GLY 250 Ca 0.05 -1.45 0.11 0.00 0.00 0.00 0.00 46.02 44.73 1day n GLY 250 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1day n THR 251 N -1.20 0.31 -0.03 2.61 5.66 -1.06 -3.76 114.28 116.81 1day n THR 251 Ca 0.00 -0.39 -0.12 0.00 -3.05 0.00 0.00 64.05 60.49 1day n THR 251 Cb 0.00 -0.03 -0.06 0.00 -1.55 0.00 0.00 70.33 68.68 1day n THR 251 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1day h ASP 252 N 0.00 0.18 -0.88 1.09 3.45 -1.87 0.21 116.42 118.60 1day h ASP 252 Ca 0.00 -0.25 0.05 0.00 0.43 0.00 0.00 57.03 57.26 1day h ASP 252 Cb 0.87 -0.05 -0.06 0.00 -0.56 0.00 0.00 39.33 39.53 1day h ASP 252 CO 0.00 0.38 0.55 1.23 -1.57 0.00 0.00 179.24 179.84 1day h GLY 253 N -0.04 1.31 0.98 2.75 0.00 -1.81 -1.58 103.07 104.68 1day h GLY 253 Ca 0.03 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1day h GLY 253 CO 0.00 0.30 0.20 -2.00 0.00 0.00 0.00 176.54 175.04 1day h LEU 254 N 1.03 0.39 -1.13 3.11 5.85 -1.55 -1.64 115.31 121.37 1day h LEU 254 Ca 0.37 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.95 1day h LEU 254 Cb 0.12 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1day h LEU 254 CO -0.16 0.33 -0.34 0.78 -0.34 0.00 0.00 178.44 178.71 1day h ASN 255 N 0.42 0.17 -0.25 1.25 2.35 -0.36 -0.00 115.58 119.15 1day h ASN 255 Ca 0.12 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1day h ASN 255 Cb 0.01 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1day h ASN 255 CO -0.02 0.51 0.10 0.58 -1.65 0.00 0.00 177.43 176.94 1day h VAL 256 N 0.14 1.17 0.58 2.81 2.07 -1.02 -2.04 116.25 119.96 1day h VAL 256 Ca 0.02 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1day h VAL 256 Cb 0.68 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1day h VAL 256 CO 0.05 0.17 -0.34 0.22 0.02 0.00 0.00 177.57 177.69 1day h TYR 257 N 0.25 -0.89 -0.30 1.57 3.20 -0.94 0.24 116.97 120.10 1day h TYR 257 Ca 0.08 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.01 1day h TYR 257 Cb 0.18 0.31 -0.08 0.00 1.54 0.00 0.00 36.73 38.68 1day h TYR 257 CO -0.01 -0.52 -0.24 -0.07 -1.64 0.00 0.00 178.16 175.68 1day h LEU 258 N -0.86 -0.78 -0.27 2.82 3.38 -1.05 -1.49 115.31 117.06 1day h LEU 258 Ca -0.07 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1day h LEU 258 Cb 0.69 0.38 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 1day h LEU 258 CO 0.08 -0.27 -0.10 0.78 0.09 0.00 0.00 178.44 179.02 1day h ASN 259 N -0.22 -0.35 -0.70 -0.43 2.35 -1.19 0.49 115.58 115.54 1day h ASN 259 Ca 0.16 0.09 0.07 0.00 -0.55 0.00 0.00 56.30 56.07 1day h ASN 259 Cb 0.46 0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.97 1day h ASN 259 CO -0.43 -0.13 0.37 0.50 -1.65 0.00 0.00 177.43 176.10 1day h LYS 260 N -0.05 0.65 -0.01 0.81 3.64 0.42 -2.35 116.57 119.68 1day h LYS 260 Ca 0.14 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1day h LYS 260 Cb 0.26 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1day h LYS 260 CO -0.31 0.43 -0.40 0.66 -2.27 0.00 0.00 179.45 177.56 1day n TYR 261 N -4.81 0.00 -2.53 1.91 4.01 -0.65 -4.99 117.16 110.10 1day n TYR 261 Ca 0.10 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.75 1day n TYR 261 Cb 0.22 -0.15 0.04 0.00 -0.31 0.00 0.00 39.34 39.13 1day n TYR 261 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1day n ARG 262 N -0.95 -1.29 -4.83 -0.72 1.74 0.16 -5.05 116.66 105.72 1day n ARG 262 Ca 0.09 0.56 -0.28 0.00 -0.77 0.00 0.00 57.85 57.45 1day n ARG 262 Cb 0.35 -4.07 -0.17 0.00 -1.02 0.00 0.00 32.46 27.55 1day n ARG 262 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1day s ILE 263 N -3.21 1.53 -0.13 0.55 1.01 -0.77 -5.04 121.20 115.14 1day s ILE 263 Ca 0.25 -0.71 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 1day s ILE 263 Cb -0.03 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1day s ILE 263 CO 0.44 0.44 0.06 -1.61 0.00 0.00 0.00 174.94 174.28 1day s GLU 264 N 0.56 3.47 0.46 2.79 2.02 -1.26 -4.55 118.70 122.18 1day s GLU 264 Ca -0.16 -0.30 -0.23 0.00 0.02 0.00 0.00 54.97 54.30 1day s GLU 264 Cb -0.17 -3.06 -0.08 0.00 0.10 0.00 0.00 34.13 30.93 1day s GLU 264 CO 0.05 0.58 1.13 -0.51 0.02 0.00 0.00 175.26 176.53 1day s LEU 265 N -0.50 4.01 0.08 1.80 1.43 -1.26 -4.92 118.68 119.32 1day s LEU 265 Ca 0.10 2.22 -0.36 0.00 -1.03 0.00 0.00 54.13 55.06 1day s LEU 265 Cb -0.12 -4.28 -0.15 0.00 0.03 0.00 0.00 46.19 41.67 1day s LEU 265 CO 0.02 -0.85 1.47 -0.67 0.23 0.00 0.00 176.35 176.55 1day n ASP 266 N -0.50 2.25 -0.33 2.29 4.64 -1.26 -4.68 116.55 118.96 1day n ASP 266 Ca 0.07 1.10 0.17 0.00 -1.38 0.00 0.00 54.79 54.75 1day n ASP 266 Cb 0.49 -1.27 0.34 0.00 -1.04 0.00 0.00 41.12 39.63 1day n ASP 266 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1day h PRO 267 N 5.39 0.05 -0.05 -0.67 0.11 -1.99 0.20 132.00 135.04 1day h PRO 267 Ca -0.47 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 1day h PRO 267 Cb 1.31 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1day h PRO 267 CO 0.83 0.03 -0.79 -0.56 -0.21 0.00 0.00 178.00 177.30 1day h GLN 268 N 0.05 0.39 -0.13 1.05 3.07 -1.99 -1.51 115.11 116.03 1day h GLN 268 Ca 0.63 -0.35 0.00 0.00 0.09 0.00 0.00 58.65 59.02 1day h GLN 268 Cb 1.36 0.08 -0.01 0.00 0.08 0.00 0.00 27.48 29.00 1day h GLN 268 CO -0.84 1.00 0.08 1.25 0.09 0.00 0.00 178.83 180.42 1day h LEU 269 N 0.25 0.15 -0.39 0.06 5.85 -1.58 0.62 115.31 120.26 1day h LEU 269 Ca -0.04 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.75 1day h LEU 269 Cb 1.39 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.30 1day h LEU 269 CO 0.13 0.12 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.13 1day h GLU 270 N 0.17 -0.06 -0.67 1.25 4.81 -0.91 0.29 114.58 119.47 1day h GLU 270 Ca 0.05 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1day h GLU 270 Cb -0.01 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1day h GLU 270 CO -0.01 -0.04 0.44 0.00 -0.73 0.00 0.00 179.01 178.68 1day h ALA 271 N 1.29 0.85 -0.67 2.92 0.00 -0.65 -2.76 119.26 120.24 1day h ALA 271 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1day h ALA 271 Cb 0.35 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1day h ALA 271 CO -0.44 0.27 0.37 1.25 0.00 0.00 0.00 179.25 180.70 1day h LEU 272 N 0.90 0.84 -0.46 0.00 5.85 0.48 -2.95 115.31 119.96 1day h LEU 272 Ca 0.25 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1day h LEU 272 Cb -0.10 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 1day h LEU 272 CO -0.05 0.70 0.27 0.58 -0.34 0.00 0.00 178.44 179.59 1day h VAL 273 N 0.92 1.16 0.00 1.05 2.07 -0.23 -3.48 116.25 117.74 1day h VAL 273 Ca 0.24 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1day h VAL 273 Cb 0.04 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1day h VAL 273 CO -0.04 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.32 1day n GLY 274 N -1.05 0.55 2.71 2.17 0.00 -1.06 -4.73 105.19 103.78 1day n GLY 274 Ca 0.01 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 1day n GLY 274 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1day s ARG 275 N 0.00 -0.06 0.01 1.61 1.81 -1.26 -4.97 118.95 116.09 1day s ARG 275 Ca 0.00 0.30 0.02 0.00 -1.72 0.00 0.00 55.73 54.33 1day s ARG 275 Cb 0.00 -0.40 -0.01 0.00 -0.45 0.00 0.00 34.95 34.09 1day s ARG 275 CO 0.00 -0.26 -0.05 -1.01 -0.68 0.00 0.00 175.30 173.29 1day s HIS 276 N 1.72 0.47 0.51 -0.53 3.76 -1.26 -5.02 115.29 114.94 1day s HIS 276 Ca -0.01 -0.24 -0.16 0.00 -0.15 0.00 0.00 55.06 54.50 1day s HIS 276 Cb -0.12 -0.29 -0.08 0.00 1.11 0.00 0.00 32.58 33.20 1day s HIS 276 CO -0.03 -0.04 0.97 -1.54 -0.85 0.00 0.00 174.74 173.24 1day s SER 277 N -0.68 6.60 0.13 1.40 1.04 -1.26 -2.58 113.70 118.36 1day s SER 277 Ca -0.03 1.53 -0.31 0.00 0.48 0.00 0.00 55.95 57.61 1day s SER 277 Cb -0.05 -2.49 -0.08 0.00 0.10 0.00 0.00 66.02 63.50 1day s SER 277 CO -0.00 -0.58 1.40 -0.60 0.98 0.00 0.00 173.24 174.44 1day s ARG 278 N -4.08 4.32 -0.26 4.02 3.52 -1.26 -4.11 118.95 121.09 1day s ARG 278 Ca 0.58 2.10 -0.14 0.00 -0.13 0.00 0.00 55.73 58.14 1day s ARG 278 Cb -0.10 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 1day s ARG 278 CO 0.32 -0.43 0.32 0.15 -0.81 0.00 0.00 175.30 174.85 1day s LYS 279 N 0.93 4.02 0.71 5.12 -0.14 0.34 -4.90 119.74 125.82 1day s LYS 279 Ca 0.64 -0.04 -0.16 0.00 -1.36 0.00 0.00 55.97 55.05 1day s LYS 279 Cb -0.37 -3.63 -0.01 0.00 -1.68 0.00 0.00 37.83 32.14 1day s LYS 279 CO 0.31 -0.20 0.90 -0.35 -0.76 0.00 0.00 175.35 175.25 1day n PRO 280 N 5.09 0.50 -0.09 -1.68 -0.04 -1.26 -4.78 135.00 132.75 1day n PRO 280 Ca -0.10 0.22 -0.05 0.00 -0.04 0.00 0.00 63.50 63.53 1day n PRO 280 Cb 0.51 -2.15 0.14 0.00 -0.04 0.00 0.00 33.50 31.96 1day n PRO 280 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1day h TRP 281 N -0.21 0.82 0.00 0.54 4.06 -1.97 -3.02 115.95 116.17 1day h TRP 281 Ca -0.47 -0.15 0.00 0.00 2.06 0.00 0.00 58.89 60.33 1day h TRP 281 Cb 1.34 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 29.29 1day h TRP 281 CO 0.39 0.82 0.00 1.28 -3.56 0.00 0.00 178.44 177.37 1day n LEU 282 N -4.17 0.00 0.27 -4.49 4.77 -1.26 -2.38 117.00 109.74 1day n LEU 282 Ca 0.01 0.48 0.14 0.00 -0.03 0.00 0.00 56.01 56.62 1day n LEU 282 Cb 0.36 -0.48 0.76 0.00 -2.33 0.00 0.00 43.42 41.72 1day n LEU 282 CO 0.43 -0.36 0.99 0.11 -1.33 0.00 0.00 177.39 177.23 1day h LYS 283 N 0.00 0.00 -0.00 3.23 1.79 -1.90 -1.94 116.57 117.74 1day h LYS 283 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1day h LYS 283 Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1day h LYS 283 CO 0.00 0.10 -0.34 1.19 -1.08 0.00 0.00 179.45 179.31 1day n PHE 284 N -3.50 0.00 -2.06 -1.35 3.72 -1.00 -4.86 117.46 108.40 1day n PHE 284 Ca -0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 1day n PHE 284 Cb 0.24 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 1day n PHE 284 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1day s MET 285 N -2.76 4.31 0.28 -1.08 1.75 -0.73 -4.96 119.30 116.11 1day s MET 285 Ca 0.18 2.27 -0.05 0.00 -1.25 0.00 0.00 55.69 56.84 1day s MET 285 Cb 0.18 -3.06 -0.01 0.00 2.84 0.00 0.00 34.83 34.78 1day s MET 285 CO 0.60 -0.26 0.38 0.54 -0.65 0.00 0.00 175.02 175.64 1day s ASN 286 N -0.35 0.44 0.00 1.11 2.20 -1.26 -5.02 114.94 112.06 1day s ASN 286 Ca 0.50 -1.30 0.15 0.00 -0.94 0.00 0.00 52.86 51.27 1day s ASN 286 Cb -0.41 0.56 0.74 0.00 -2.00 0.00 0.00 41.25 40.15 1day s ASN 286 CO 0.53 -1.12 1.39 0.00 -2.94 0.00 0.00 177.10 174.96 1day n ALA 287 N -0.44 1.83 -0.00 3.54 0.00 -1.26 -1.47 120.51 122.71 1day n ALA 287 Ca 0.01 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 1day n ALA 287 Cb 0.63 -1.24 -0.14 0.00 0.00 0.00 0.00 19.45 18.70 1day n ALA 287 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1day h ASP 288 N 0.00 0.07 0.00 0.00 3.58 -1.98 -3.37 116.42 114.73 1day h ASP 288 Ca 0.00 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.31 1day h ASP 288 Cb 0.13 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1day h ASP 288 CO 0.00 1.12 -1.19 -0.46 -2.88 0.00 0.00 179.24 175.83 1day n ASN 289 N -3.16 0.78 -0.24 2.28 0.23 -1.11 -4.67 115.26 109.36 1day n ASN 289 Ca -0.16 -0.72 0.04 0.00 -0.53 0.00 0.00 54.58 53.20 1day n ASN 289 Cb 1.04 1.24 0.09 0.00 -2.08 0.00 0.00 39.78 40.07 1day n ASN 289 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1day n GLN 290 N -1.66 -0.07 0.00 -3.83 7.27 -0.54 -0.20 117.38 118.35 1day n GLN 290 Ca 0.02 1.05 0.07 0.00 0.07 0.00 0.00 57.00 58.21 1day n GLN 290 Cb 0.37 -1.57 0.39 0.00 2.41 0.00 0.00 30.24 31.84 1day n GLN 290 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 1day n HIS 291 N -5.09 0.00 0.00 3.69 1.44 -1.26 -3.19 115.22 110.80 1day n HIS 291 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1day n HIS 291 Cb 0.33 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.44 1day n HIS 291 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1day n LEU 292 N -0.80 0.00 -2.47 2.39 4.77 0.71 -4.76 117.00 116.85 1day n LEU 292 Ca 0.10 -0.35 -0.34 0.00 -0.03 0.00 0.00 56.01 55.38 1day n LEU 292 Cb 0.05 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1day n LEU 292 CO 0.07 0.00 1.24 0.52 -1.33 0.00 0.00 177.39 177.89 1day n VAL 293 N -0.84 3.40 -1.08 4.08 0.31 -1.16 -4.88 118.33 118.15 1day n VAL 293 Ca 0.00 -3.62 -0.29 0.00 -0.01 0.00 0.00 64.34 60.42 1day n VAL 293 Cb 0.00 -1.19 0.20 0.00 -0.91 0.00 0.00 33.84 31.94 1day n VAL 293 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1day s SER 294 N -1.96 2.12 0.27 4.52 1.04 -1.26 -4.64 113.70 113.79 1day s SER 294 Ca 0.58 1.12 -0.00 0.00 0.48 0.00 0.00 55.95 58.13 1day s SER 294 Cb 0.47 -1.75 0.55 0.00 0.10 0.00 0.00 66.02 65.38 1day s SER 294 CO -0.13 -3.44 1.78 -0.65 0.98 0.00 0.00 173.24 171.78 1day h PRO 295 N -2.10 0.69 -0.40 4.02 0.11 -1.99 -0.87 132.00 131.46 1day h PRO 295 Ca -0.55 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.39 1day h PRO 295 Cb 1.33 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1day h PRO 295 CO 0.54 0.46 -0.29 0.93 -0.21 0.00 0.00 178.00 179.43 1day h GLU 296 N 0.71 0.87 0.01 1.05 4.39 -1.98 0.29 114.58 119.92 1day h GLU 296 Ca 0.48 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1day h GLU 296 Cb 0.63 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1day h GLU 296 CO -0.34 1.04 -0.01 0.00 -1.16 0.00 0.00 179.01 178.55 1day h ALA 297 N 0.93 -0.02 -0.73 3.43 0.00 -1.69 0.31 119.26 121.50 1day h ALA 297 Ca 0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1day h ALA 297 Cb 0.85 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1day h ALA 297 CO 0.07 -0.50 0.28 0.82 0.00 0.00 0.00 179.25 179.92 1day h ILE 298 N -0.03 1.25 -0.62 0.00 1.08 -1.09 0.13 117.51 118.23 1day h ILE 298 Ca -0.00 -0.81 -0.08 0.00 -0.39 0.00 0.00 64.86 63.58 1day h ILE 298 Cb 0.03 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 1day h ILE 298 CO 0.00 0.32 0.09 -0.78 -0.69 0.00 0.00 178.15 177.10 1day h ASP 299 N 1.05 0.99 0.13 1.72 3.58 -0.41 0.19 116.42 123.67 1day h ASP 299 Ca 0.24 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1day h ASP 299 Cb 0.23 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1day h ASP 299 CO -0.02 1.00 -0.06 0.15 -2.88 0.00 0.00 179.24 177.43 1day h PHE 300 N 0.94 -0.17 -0.32 0.28 3.57 -0.13 -2.88 116.94 118.23 1day h PHE 300 Ca 0.19 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.73 1day h PHE 300 Cb 0.44 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 1day h PHE 300 CO 0.03 0.04 0.04 1.25 -2.23 0.00 0.00 178.31 177.44 1day h LEU 301 N -0.35 -0.03 -1.84 0.59 5.85 -0.71 -1.69 115.31 117.13 1day h LEU 301 Ca -0.02 0.06 0.15 0.00 0.84 0.00 0.00 57.88 58.91 1day h LEU 301 Cb 0.28 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1day h LEU 301 CO 0.03 0.02 0.42 -0.78 -0.34 0.00 0.00 178.44 177.80 1day h ASP 302 N 0.15 0.15 0.39 1.25 3.58 -0.62 0.25 116.42 121.57 1day h ASP 302 Ca 0.15 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1day h ASP 302 Cb 0.18 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1day h ASP 302 CO -0.22 0.08 -0.23 0.29 -2.88 0.00 0.00 179.24 176.28 1day n LYS 303 N -4.41 0.56 -0.12 0.28 5.02 -0.68 -3.96 118.16 114.85 1day n LYS 303 Ca 0.11 -0.27 -0.26 0.00 -2.02 0.00 0.00 58.31 55.88 1day n LYS 303 Cb 0.57 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.98 1day n LYS 303 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1day n LEU 304 N -0.98 1.98 -4.49 -0.35 4.77 0.69 -2.01 117.00 116.60 1day n LEU 304 Ca 0.11 0.35 -0.44 0.00 -0.03 0.00 0.00 56.01 56.01 1day n LEU 304 Cb 0.32 -0.90 -0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1day n LEU 304 CO 0.27 0.47 1.51 -0.76 -1.33 0.00 0.00 177.39 177.55 1day s LEU 305 N -7.61 4.71 -0.04 2.23 1.43 -0.16 -4.56 118.68 114.68 1day s LEU 305 Ca -0.34 -2.74 0.06 0.00 -1.03 0.00 0.00 54.13 50.09 1day s LEU 305 Cb 0.10 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1day s LEU 305 CO 0.55 -0.90 -0.22 -0.13 0.23 0.00 0.00 176.35 175.88 1day s ARG 306 N 2.42 2.04 0.18 1.70 1.81 -1.26 -4.89 118.95 120.95 1day s ARG 306 Ca 0.45 -0.79 -0.13 0.00 -1.72 0.00 0.00 55.73 53.54 1day s ARG 306 Cb -0.01 -1.84 0.08 0.00 -0.45 0.00 0.00 34.95 32.72 1day s ARG 306 CO 0.01 0.40 1.79 1.88 -0.68 0.00 0.00 175.30 178.70 1day h TYR 307 N 5.88 0.81 -2.66 -0.53 0.05 -1.93 -3.38 116.97 115.20 1day h TYR 307 Ca -0.36 -0.02 -0.57 0.00 0.05 0.00 0.00 58.73 57.83 1day h TYR 307 Cb 1.15 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 38.61 1day h TYR 307 CO 0.41 0.58 1.27 0.34 -1.05 0.00 0.00 178.16 179.71 1day s ASP 308 N -5.89 5.88 0.58 3.88 -1.08 -1.26 -4.67 116.67 114.10 1day s ASP 308 Ca -0.13 1.20 0.34 0.00 -0.52 0.00 0.00 52.55 53.43 1day s ASP 308 Cb 0.13 -2.53 1.77 0.00 -1.46 0.00 0.00 42.92 40.83 1day s ASP 308 CO 0.77 -1.74 2.17 1.12 0.52 0.00 0.00 175.17 178.01 1day h HIS 309 N 12.87 0.00 0.00 -5.34 2.07 -1.95 -2.04 115.15 120.76 1day h HIS 309 Ca -0.33 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.11 1day h HIS 309 Cb 1.16 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.13 1day h HIS 309 CO 0.96 0.05 -0.41 1.96 -3.07 0.00 0.00 177.93 177.43 1day h GLN 310 N 0.00 0.00 0.00 5.12 4.20 -1.94 -3.12 115.11 119.37 1day h GLN 310 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1day h GLN 310 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1day h GLN 310 CO 0.01 0.41 -0.62 0.93 -0.67 0.00 0.00 178.83 178.88 1day h GLU 311 N 0.00 0.00 -7.08 1.46 5.08 -1.76 -3.47 114.58 108.81 1day h GLU 311 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1day h GLU 311 Cb 0.73 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.09 1day h GLU 311 CO 0.05 0.00 0.49 1.03 -1.00 0.00 0.00 179.01 179.58 1day s ARG 312 N -3.18 3.12 0.67 2.33 0.52 -1.18 -4.96 118.95 116.27 1day s ARG 312 Ca 0.06 1.86 -0.17 0.00 -0.52 0.00 0.00 55.73 56.95 1day s ARG 312 Cb 0.13 -2.04 -0.00 0.00 0.52 0.00 0.00 34.95 33.56 1day s ARG 312 CO 0.72 -1.09 1.20 1.28 0.02 0.00 0.00 175.30 177.43 1day n LEU 313 N -1.35 5.26 -4.89 2.53 4.77 -0.85 -5.01 117.00 117.46 1day n LEU 313 Ca 0.12 0.78 -0.29 0.00 -0.03 0.00 0.00 56.01 56.59 1day n LEU 313 Cb 0.49 -1.51 0.04 0.00 -2.33 0.00 0.00 43.42 40.10 1day n LEU 313 CO 0.46 -1.32 0.69 0.42 -1.33 0.00 0.00 177.39 176.31 1day s THR 314 N -1.54 3.72 0.24 -5.08 -4.23 -1.26 -4.89 115.64 102.60 1day s THR 314 Ca 0.80 0.41 -0.06 0.00 -1.18 0.00 0.00 61.69 61.66 1day s THR 314 Cb -0.37 -3.53 0.19 0.00 1.34 0.00 0.00 72.50 70.13 1day s THR 314 CO 0.43 -0.66 1.84 0.00 -0.54 0.00 0.00 174.62 175.69 1day h ALA 315 N -0.48 1.16 -0.11 3.99 0.00 -1.93 -0.38 119.26 121.52 1day h ALA 315 Ca -0.45 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1day h ALA 315 Cb 1.24 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1day h ALA 315 CO 0.63 0.64 0.03 1.25 0.00 0.00 0.00 179.25 181.80 1day h LEU 316 N 1.15 0.16 -0.79 0.00 6.46 -1.93 -2.75 115.31 117.61 1day h LEU 316 Ca 0.28 -0.20 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1day h LEU 316 Cb 0.11 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 1day h LEU 316 CO -0.04 0.32 0.52 -0.33 -0.62 0.00 0.00 178.44 178.29 1day h GLU 317 N -0.01 1.00 -0.60 1.25 5.08 -1.81 -2.80 114.58 116.69 1day h GLU 317 Ca 0.03 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1day h GLU 317 Cb 0.22 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1day h GLU 317 CO -0.00 0.66 0.40 0.00 -1.00 0.00 0.00 179.01 179.07 1day h ALA 318 N 1.31 1.59 0.00 3.43 0.00 -0.91 -1.55 119.26 123.13 1day h ALA 318 Ca 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1day h ALA 318 Cb -0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1day h ALA 318 CO -0.09 0.38 -0.11 0.52 0.00 0.00 0.00 179.25 179.96 1day h MET 319 N 0.80 0.00 -0.02 0.00 2.86 -1.21 -1.91 114.93 115.45 1day h MET 319 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1day h MET 319 Cb -0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1day h MET 319 CO -0.05 0.11 -0.07 0.25 1.06 0.00 0.00 176.91 178.21 1day n THR 320 N -3.54 0.00 -1.76 2.22 -2.24 -0.60 -4.85 114.28 103.50 1day n THR 320 Ca -0.02 -0.31 -0.40 0.00 -2.27 0.00 0.00 64.05 61.06 1day n THR 320 Cb 0.24 0.84 0.02 0.00 -2.10 0.00 0.00 70.33 69.33 1day n THR 320 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1day n HIS 321 N 0.40 2.67 0.01 4.78 -0.00 -0.72 -4.86 115.22 117.49 1day n HIS 321 Ca 0.16 0.44 0.22 0.00 0.46 0.00 0.00 57.72 59.00 1day n HIS 321 Cb 0.43 -2.45 0.72 0.00 -0.12 0.00 0.00 29.99 28.58 1day n HIS 321 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1day h PRO 322 N 2.21 0.00 -0.99 1.57 0.11 -1.92 -1.88 132.00 131.09 1day h PRO 322 Ca -0.51 0.00 0.25 0.00 0.11 0.00 0.00 66.00 65.85 1day h PRO 322 Cb 1.27 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.31 1day h PRO 322 CO 0.61 0.00 0.66 -0.92 -0.21 0.00 0.00 178.00 178.13 1day h TYR 323 N 0.00 0.52 -0.62 0.65 3.20 -1.89 -0.54 116.97 118.29 1day h TYR 323 Ca 0.26 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1day h TYR 323 Cb 1.16 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1day h TYR 323 CO 0.00 0.08 0.00 1.19 -1.64 0.00 0.00 178.16 177.79 1day n PHE 324 N -4.52 0.83 -0.20 -3.82 3.72 -0.71 -4.69 117.46 108.07 1day n PHE 324 Ca 0.23 -0.41 0.01 0.00 -0.05 0.00 0.00 57.45 57.22 1day n PHE 324 Cb 0.85 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.49 1day n PHE 324 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1day h GLN 325 N 3.78 0.20 -0.18 -1.08 3.07 -1.20 -0.99 115.11 118.70 1day h GLN 325 Ca 0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 58.65 58.67 1day h GLN 325 Cb 0.86 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.37 1day h GLN 325 CO 0.00 0.13 -0.15 0.37 0.09 0.00 0.00 178.83 179.27 1day h GLN 326 N 0.20 0.30 -0.14 0.06 4.15 -1.83 -0.54 115.11 117.31 1day h GLN 326 Ca 0.32 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.62 1day h GLN 326 Cb 0.50 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 1day h GLN 326 CO -0.45 0.46 -0.07 0.28 -1.93 0.00 0.00 178.83 177.11 1day h VAL 327 N 0.28 1.32 -0.32 2.39 2.07 -1.58 -1.16 116.25 119.26 1day h VAL 327 Ca 0.05 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1day h VAL 327 Cb 0.44 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1day h VAL 327 CO 0.03 0.33 0.19 0.03 0.02 0.00 0.00 177.57 178.17 1day h ARG 328 N -0.06 0.43 -0.42 1.57 3.08 -1.00 -2.18 114.38 115.80 1day h ARG 328 Ca 0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1day h ARG 328 Cb 0.55 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1day h ARG 328 CO 0.02 0.32 0.23 0.00 -1.07 0.00 0.00 179.97 179.48 1day h ALA 329 N 1.08 1.62 -0.27 0.04 0.00 -0.90 -0.49 119.26 120.34 1day h ALA 329 Ca 0.11 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1day h ALA 329 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1day h ALA 329 CO -0.02 0.33 -0.22 0.00 0.00 0.00 0.00 179.25 179.33 1day h ALA 330 N 1.68 1.12 -0.01 0.00 0.00 -1.09 -2.90 119.26 118.05 1day h ALA 330 Ca 0.15 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1day h ALA 330 Cb 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1day h ALA 330 CO -0.03 0.55 -0.55 1.49 0.00 0.00 0.00 179.25 180.71 1day h GLU 331 N 0.44 0.04 0.00 0.00 4.81 -0.45 -1.46 114.58 117.96 1day h GLU 331 Ca 0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1day h GLU 331 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1day h GLU 331 CO 0.05 0.58 0.00 0.09 -0.73 0.00 0.00 179.01 179.00 1day n ASN 332 N -3.89 0.34 0.00 1.04 5.03 -0.85 -5.11 115.26 111.82 1day n ASN 332 Ca -0.01 0.56 0.00 0.00 0.87 0.00 0.00 54.58 55.99 1day n ASN 332 Cb 0.56 -0.64 0.00 0.00 -1.02 0.00 0.00 39.78 38.69 1day n ASN 332 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23