#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2i s THR 4 N 0.00 0.10 -0.06 0.00 -4.23 0.27 -4.68 115.64 107.04 3k2i s THR 4 Ca 0.00 -0.79 -0.01 0.00 -1.18 0.00 0.00 61.69 59.71 3k2i s THR 4 Cb 0.00 -0.81 -0.03 0.00 1.34 0.00 0.00 72.50 73.00 3k2i s THR 4 CO 0.00 -0.44 0.01 -0.22 -0.54 0.00 0.00 174.62 173.43 3k2i s LEU 5 N -1.89 3.59 -0.09 4.79 2.96 -1.26 -0.79 118.68 125.99 3k2i s LEU 5 Ca -0.07 0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 3k2i s LEU 5 Cb -0.02 -1.89 0.05 0.00 0.50 0.00 0.00 46.19 44.82 3k2i s LEU 5 CO -0.02 0.35 0.18 -0.51 -1.32 0.00 0.00 176.35 175.03 3k2i s ILE 6 N -0.95 -0.25 0.03 6.68 2.07 -0.54 -5.01 121.20 123.23 3k2i s ILE 6 Ca 0.15 0.32 0.00 0.00 -1.41 0.00 0.00 60.65 59.71 3k2i s ILE 6 Cb -0.11 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.12 3k2i s ILE 6 CO 0.05 0.13 0.11 -0.76 -1.91 0.00 0.00 174.94 172.56 3k2i s LEU 7 N 2.14 4.00 -0.10 8.50 1.43 -1.26 -2.07 118.68 131.32 3k2i s LEU 7 Ca 0.01 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.19 3k2i s LEU 7 Cb -0.12 -2.48 0.04 0.00 0.03 0.00 0.00 46.19 43.66 3k2i s LEU 7 CO -0.06 0.23 0.24 -0.70 0.23 0.00 0.00 176.35 176.29 3k2i s GLU 8 N -2.06 0.23 -0.02 1.70 2.12 -0.70 -4.95 118.70 115.03 3k2i s GLU 8 Ca 0.27 0.45 0.18 0.00 0.36 0.00 0.00 54.97 56.23 3k2i s GLU 8 Cb -0.12 -0.02 -0.20 0.00 0.26 0.00 0.00 34.13 34.05 3k2i s GLU 8 CO 0.19 -0.11 0.58 -0.35 -0.54 0.00 0.00 175.26 175.03 3k2i n PRO 9 N 3.72 0.64 0.00 4.30 -0.05 -1.26 -1.16 135.00 141.18 3k2i n PRO 9 Ca -0.20 0.10 0.00 0.00 -0.05 0.00 0.00 63.50 63.35 3k2i n PRO 9 Cb 0.55 -1.69 0.00 0.00 -0.05 0.00 0.00 33.50 32.31 3k2i n PRO 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3k2i h TRP 15 N 1.61 0.83 0.00 0.00 2.91 -1.21 -1.48 115.95 118.60 3k2i h TRP 15 Ca -0.48 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.58 3k2i h TRP 15 Cb 1.19 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 29.62 3k2i h TRP 15 CO 0.57 0.13 0.00 0.27 -1.03 0.00 0.00 178.44 178.38 3k2i n ASN 16 N -4.89 0.00 -4.68 2.65 6.94 -1.26 -4.80 115.26 109.21 3k2i n ASN 16 Ca 0.21 -0.26 -0.41 0.00 -0.02 0.00 0.00 54.58 54.10 3k2i n ASN 16 Cb 0.55 -0.24 -0.04 0.00 -2.36 0.00 0.00 39.78 37.68 3k2i n ASN 16 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3k2i s GLU 17 N -2.49 4.34 0.58 -3.83 2.02 -0.56 -4.81 118.70 113.95 3k2i s GLU 17 Ca 0.31 0.96 -0.20 0.00 0.02 0.00 0.00 54.97 56.06 3k2i s GLU 17 Cb 0.20 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 3k2i s GLU 17 CO 0.44 -0.20 1.31 -1.25 0.02 0.00 0.00 175.26 175.58 3k2i s PRO 18 N 1.72 2.98 0.11 0.39 0.04 -1.26 -4.88 135.00 134.10 3k2i s PRO 18 Ca 0.38 2.12 0.04 0.00 0.04 0.00 0.00 61.00 63.57 3k2i s PRO 18 Cb -0.17 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 3k2i s PRO 18 CO 0.14 -1.28 -0.10 0.54 0.04 0.00 0.00 177.00 176.35 3k2i s VAL 19 N -1.37 0.99 -0.31 -0.36 0.11 -1.26 -4.84 120.40 113.36 3k2i s VAL 19 Ca 0.75 -1.80 -0.05 0.00 -2.93 0.00 0.00 61.98 57.95 3k2i s VAL 19 Cb -0.38 -1.55 0.03 0.00 -1.53 0.00 0.00 36.38 32.96 3k2i s VAL 19 CO 0.43 -0.65 0.06 -0.60 -3.33 0.00 0.00 175.10 171.01 3k2i s ARG 20 N -3.19 2.72 -0.09 1.54 3.52 -0.31 -4.80 118.95 118.34 3k2i s ARG 20 Ca 0.10 -1.09 -0.13 0.00 -0.13 0.00 0.00 55.73 54.47 3k2i s ARG 20 Cb -0.00 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 3k2i s ARG 20 CO -0.00 -0.57 0.32 0.42 -0.81 0.00 0.00 175.30 174.65 3k2i s ILE 21 N 1.39 5.24 -0.04 4.11 1.01 -1.26 -1.73 121.20 129.91 3k2i s ILE 21 Ca -0.01 0.61 -0.09 0.00 0.00 0.00 0.00 60.65 61.16 3k2i s ILE 21 Cb -0.19 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.67 3k2i s ILE 21 CO 0.01 0.50 0.21 0.00 0.00 0.00 0.00 174.94 175.66 3k2i s ALA 22 N -0.38 -0.52 0.01 9.38 0.00 -0.88 -1.39 121.76 127.99 3k2i s ALA 22 Ca 0.19 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.49 3k2i s ALA 22 Cb -0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3k2i s ALA 22 CO 0.08 -0.17 -0.13 0.08 0.00 0.00 0.00 175.76 175.61 3k2i s VAL 23 N -0.71 1.04 0.09 0.00 1.01 0.18 -1.47 120.40 120.54 3k2i s VAL 23 Ca -0.08 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.15 3k2i s VAL 23 Cb -0.04 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3k2i s VAL 23 CO 0.02 0.13 -0.07 -0.60 0.00 0.00 0.00 175.10 174.58 3k2i s ARG 24 N -0.73 0.76 0.00 2.72 3.52 0.03 -1.48 118.95 123.77 3k2i s ARG 24 Ca 0.03 -1.17 0.00 0.00 -0.13 0.00 0.00 55.73 54.46 3k2i s ARG 24 Cb -0.06 -0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.05 3k2i s ARG 24 CO 0.00 0.01 0.00 0.41 -0.81 0.00 0.00 175.30 174.92 3k2i n GLY 25 N 0.41 0.51 3.98 8.12 0.00 -1.19 -0.57 105.19 116.46 3k2i n GLY 25 Ca -0.15 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 3k2i n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k2i s LEU 26 N 0.00 3.89 0.48 0.99 1.43 -0.47 -3.39 118.68 121.61 3k2i s LEU 26 Ca 0.00 -0.25 -0.21 0.00 -1.03 0.00 0.00 54.13 52.64 3k2i s LEU 26 Cb 0.00 -2.69 -0.08 0.00 0.03 0.00 0.00 46.19 43.44 3k2i s LEU 26 CO 0.00 -0.48 1.05 0.00 0.23 0.00 0.00 176.35 177.15 3k2i s ALA 27 N -2.22 2.88 -0.12 4.21 0.00 -1.26 -4.07 121.76 121.18 3k2i s ALA 27 Ca 0.46 0.64 -0.40 0.00 0.00 0.00 0.00 51.96 52.67 3k2i s ALA 27 Cb -0.09 -3.27 -0.17 0.00 0.00 0.00 0.00 23.12 19.59 3k2i s ALA 27 CO 0.31 -0.35 1.46 -2.30 0.00 0.00 0.00 175.76 174.88 3k2i n PRO 28 N -0.90 0.80 -2.65 0.00 -0.02 -1.26 -1.49 135.00 129.48 3k2i n PRO 28 Ca 0.09 0.29 -0.19 0.00 -2.02 0.00 0.00 63.50 61.67 3k2i n PRO 28 Cb 0.52 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3k2i n PRO 28 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3k2i n GLU 29 N 3.44 -2.75 -2.33 -0.52 1.02 -0.97 -4.93 120.64 113.60 3k2i n GLU 29 Ca 0.23 0.83 -0.41 0.00 -0.02 0.00 0.00 57.16 57.78 3k2i n GLU 29 Cb 0.12 -5.53 -0.03 0.00 -0.02 0.00 0.00 31.44 25.98 3k2i n GLU 29 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3k2i s GLN 30 N -5.29 4.47 -0.14 3.49 0.74 -0.55 -4.59 119.66 117.78 3k2i s GLN 30 Ca 0.11 1.92 -0.28 0.00 0.05 0.00 0.00 55.36 57.16 3k2i s GLN 30 Cb -0.05 -3.22 -0.01 0.00 1.10 0.00 0.00 33.01 30.83 3k2i s GLN 30 CO 0.14 -0.12 0.95 1.03 -0.55 0.00 0.00 175.29 176.74 3k2i s ARG 31 N -0.31 4.36 0.06 1.67 0.52 -1.26 -1.28 118.95 122.72 3k2i s ARG 31 Ca 0.53 1.26 0.01 0.00 -0.52 0.00 0.00 55.73 57.01 3k2i s ARG 31 Cb -0.34 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.53 3k2i s ARG 31 CO 0.38 -0.35 -0.05 0.14 0.02 0.00 0.00 175.30 175.43 3k2i s VAL 32 N 2.19 0.43 -0.10 3.52 -7.23 -0.90 0.78 120.40 119.09 3k2i s VAL 32 Ca 0.44 -1.67 0.02 0.00 -1.81 0.00 0.00 61.98 58.97 3k2i s VAL 32 Cb -0.17 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.43 3k2i s VAL 32 CO 0.15 -0.82 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.04 3k2i s THR 33 N -3.22 2.61 -0.14 5.32 2.01 -0.18 -1.00 115.64 121.03 3k2i s THR 33 Ca 0.04 -0.83 -0.06 0.00 0.31 0.00 0.00 61.69 61.15 3k2i s THR 33 Cb 0.03 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 3k2i s THR 33 CO -0.06 0.55 0.06 -0.76 -0.69 0.00 0.00 174.62 173.72 3k2i s LEU 34 N 0.18 3.85 0.03 4.42 1.02 -0.49 -0.51 118.68 127.19 3k2i s LEU 34 Ca -0.11 0.17 0.07 0.00 0.02 0.00 0.00 54.13 54.29 3k2i s LEU 34 Cb -0.16 -1.94 -0.02 0.00 0.02 0.00 0.00 46.19 44.09 3k2i s LEU 34 CO 0.06 0.28 -0.20 -0.13 0.02 0.00 0.00 176.35 176.38 3k2i s ARG 35 N -0.26 1.40 0.01 1.70 0.52 0.63 -1.97 118.95 120.99 3k2i s ARG 35 Ca 0.08 -0.89 0.05 0.00 -0.52 0.00 0.00 55.73 54.45 3k2i s ARG 35 Cb -0.12 -1.48 -0.02 0.00 0.52 0.00 0.00 34.95 33.85 3k2i s ARG 35 CO 0.02 0.38 -0.16 0.00 0.02 0.00 0.00 175.30 175.56 3k2i s ALA 36 N -0.75 1.31 0.03 2.13 0.00 0.50 -1.29 121.76 123.70 3k2i s ALA 36 Ca 0.07 -0.77 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 3k2i s ALA 36 Cb -0.09 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.77 3k2i s ALA 36 CO 0.01 0.29 0.25 -1.54 0.00 0.00 0.00 175.76 174.78 3k2i s SER 37 N -0.74 -0.06 -0.02 0.00 1.04 -0.68 -1.20 113.70 112.05 3k2i s SER 37 Ca 0.05 -0.23 -0.23 0.00 0.48 0.00 0.00 55.95 56.02 3k2i s SER 37 Cb -0.07 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.41 3k2i s SER 37 CO 0.00 -0.55 0.49 -1.48 0.98 0.00 0.00 173.24 172.69 3k2i s LEU 38 N -1.93 0.09 -0.12 2.42 0.05 0.37 -1.28 118.68 118.28 3k2i s LEU 38 Ca -0.07 0.35 -0.00 0.00 0.05 0.00 0.00 54.13 54.46 3k2i s LEU 38 Cb -0.02 1.92 -0.02 0.00 -2.05 0.00 0.00 46.19 46.03 3k2i s LEU 38 CO -0.02 -0.56 -0.12 -0.60 -0.55 0.00 0.00 176.35 174.50 3k2i s ARG 39 N -1.48 3.28 0.61 1.48 3.52 -1.26 -0.30 118.95 124.81 3k2i s ARG 39 Ca -0.11 -0.66 -0.08 0.00 -0.13 0.00 0.00 55.73 54.75 3k2i s ARG 39 Cb -0.02 -2.63 0.14 0.00 -1.56 0.00 0.00 34.95 30.87 3k2i s ARG 39 CO 0.06 0.29 0.83 -0.40 -0.81 0.00 0.00 175.30 175.27 3k2i n ASP 40 N 3.30 0.31 0.18 -2.12 3.85 -0.30 -4.79 116.55 116.98 3k2i n ASP 40 Ca -0.18 -1.45 0.14 0.00 -0.71 0.00 0.00 54.79 52.59 3k2i n ASP 40 Cb 0.53 -0.61 0.51 0.00 -1.35 0.00 0.00 41.12 40.19 3k2i n ASP 40 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3k2i h GLU 41 N 0.00 0.00 -0.26 0.11 5.08 -1.89 -1.64 114.58 115.98 3k2i h GLU 41 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3k2i h GLU 41 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3k2i h GLU 41 CO 0.21 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.85 3k2i n LYS 42 N -2.59 2.19 -0.75 2.33 4.76 -1.26 -4.96 118.16 117.87 3k2i n LYS 42 Ca 0.02 -1.78 0.00 0.00 -2.87 0.00 0.00 58.31 53.68 3k2i n LYS 42 Cb 0.31 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 3k2i n LYS 42 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k2i n GLY 43 N 1.35 0.61 3.73 0.72 0.00 -0.61 -5.04 105.19 105.94 3k2i n GLY 43 Ca 0.18 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3k2i n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2i s ALA 44 N -2.00 3.28 -0.08 4.61 0.00 -1.26 -4.77 121.76 121.54 3k2i s ALA 44 Ca 0.00 0.44 -0.21 0.00 0.00 0.00 0.00 51.96 52.19 3k2i s ALA 44 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 3k2i s ALA 44 CO 0.00 -0.02 0.61 -1.17 0.00 0.00 0.00 175.76 175.18 3k2i s LEU 45 N 0.15 4.31 -0.07 0.00 2.96 -1.26 -1.15 118.68 123.61 3k2i s LEU 45 Ca 0.44 1.05 0.03 0.00 -0.22 0.00 0.00 54.13 55.43 3k2i s LEU 45 Cb -0.22 -2.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.52 3k2i s LEU 45 CO 0.26 -0.06 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.73 3k2i s PHE 46 N 0.68 2.72 0.06 5.38 0.08 0.59 -2.18 117.98 125.31 3k2i s PHE 46 Ca 0.33 -0.28 -0.10 0.00 0.12 0.00 0.00 56.93 57.00 3k2i s PHE 46 Cb -0.17 -1.68 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 3k2i s PHE 46 CO 0.15 0.09 0.22 -0.98 -0.10 0.00 0.00 175.22 174.60 3k2i s ARG 47 N -0.48 0.77 0.03 0.44 3.03 -0.41 -0.48 118.95 121.86 3k2i s ARG 47 Ca 0.06 -0.70 -0.14 0.00 2.03 0.00 0.00 55.73 56.97 3k2i s ARG 47 Cb -0.12 0.32 0.02 0.00 -1.03 0.00 0.00 34.95 34.14 3k2i s ARG 47 CO 0.02 -0.24 0.31 0.00 -1.13 0.00 0.00 175.30 174.26 3k2i s ALA 48 N -2.98 -0.73 0.13 7.88 0.00 -0.34 -2.04 121.76 123.67 3k2i s ALA 48 Ca -0.02 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 51.92 3k2i s ALA 48 Cb 0.01 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.42 3k2i s ALA 48 CO -0.06 -0.39 0.27 -3.38 0.00 0.00 0.00 175.76 172.20 3k2i s HIS 49 N -2.35 0.17 -0.13 0.00 -3.43 -1.26 -0.37 115.29 107.91 3k2i s HIS 49 Ca -0.06 -0.55 -0.29 0.00 -0.80 0.00 0.00 55.06 53.35 3k2i s HIS 49 Cb -0.01 0.02 0.07 0.00 -1.43 0.00 0.00 32.58 31.22 3k2i s HIS 49 CO -0.02 -0.65 0.70 0.00 -2.00 0.00 0.00 174.74 172.77 3k2i s ALA 50 N -3.89 -1.78 -0.14 -1.38 0.00 -0.83 -0.29 121.76 113.46 3k2i s ALA 50 Ca 0.09 1.58 -0.08 0.00 0.00 0.00 0.00 51.96 53.56 3k2i s ALA 50 Cb 0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 3k2i s ALA 50 CO -0.07 -0.36 0.13 1.03 0.00 0.00 0.00 175.76 176.49 3k2i s ARG 51 N -0.61 3.62 0.36 0.00 0.52 -0.09 -1.39 118.95 121.35 3k2i s ARG 51 Ca -0.07 -0.17 0.06 0.00 -0.52 0.00 0.00 55.73 55.03 3k2i s ARG 51 Cb -0.02 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.20 3k2i s ARG 51 CO 0.07 0.65 0.22 0.71 0.02 0.00 0.00 175.30 176.96 3k2i s TYR 52 N -0.65 1.75 -0.03 -0.53 2.02 -0.17 0.03 117.35 119.77 3k2i s TYR 52 Ca 0.13 -1.52 0.02 0.00 -0.37 0.00 0.00 57.07 55.33 3k2i s TYR 52 Cb -0.12 -0.88 0.01 0.00 -0.40 0.00 0.00 41.96 40.57 3k2i s TYR 52 CO 0.02 -0.66 -0.08 0.00 -1.57 0.00 0.00 175.55 173.27 3k2i s ALA 54 N 0.31 1.87 0.86 0.00 0.00 -0.41 -4.91 121.76 119.48 3k2i s ALA 54 Ca -0.05 0.19 -0.08 0.00 0.00 0.00 0.00 51.96 52.02 3k2i s ALA 54 Cb -0.09 -3.27 0.18 0.00 0.00 0.00 0.00 23.12 19.94 3k2i s ALA 54 CO 0.00 -2.12 1.18 0.16 0.00 0.00 0.00 175.76 174.98 3k2i s ASP 55 N -3.30 3.56 0.32 0.00 1.47 0.57 -3.10 116.67 116.19 3k2i s ASP 55 Ca 0.63 -0.17 0.07 0.00 1.18 0.00 0.00 52.55 54.26 3k2i s ASP 55 Cb -0.18 0.04 0.90 0.00 -0.34 0.00 0.00 42.92 43.33 3k2i s ASP 55 CO 0.57 -2.41 1.61 0.00 0.68 0.00 0.00 175.17 175.62 3k2i h ALA 56 N -1.15 1.51 -0.19 2.11 0.00 -1.93 -1.21 119.26 118.40 3k2i h ALA 56 Ca -0.39 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3k2i h ALA 56 Cb 1.24 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3k2i h ALA 56 CO 0.35 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 178.98 3k2i n GLY 58 N 0.50 0.58 3.43 0.00 0.00 -0.50 -4.80 105.19 104.41 3k2i n GLY 58 Ca 0.08 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 3k2i n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k2i s GLU 59 N -3.02 1.55 -0.11 1.61 2.02 -1.26 -1.37 118.70 118.13 3k2i s GLU 59 Ca 0.00 -1.51 -0.03 0.00 0.02 0.00 0.00 54.97 53.45 3k2i s GLU 59 Cb 0.00 -1.87 0.05 0.00 0.10 0.00 0.00 34.13 32.41 3k2i s GLU 59 CO 0.00 0.40 0.12 -1.17 0.02 0.00 0.00 175.26 174.63 3k2i s LEU 60 N -2.67 0.09 -0.33 1.80 2.96 -0.55 -0.31 118.68 119.67 3k2i s LEU 60 Ca 0.21 -0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.04 3k2i s LEU 60 Cb -0.08 0.02 0.07 0.00 0.50 0.00 0.00 46.19 46.70 3k2i s LEU 60 CO 0.10 -0.28 0.06 -0.62 -1.32 0.00 0.00 176.35 174.28 3k2i s ASP 61 N 2.22 4.99 0.54 3.68 3.68 -1.26 0.49 116.67 131.01 3k2i s ASP 61 Ca 0.04 -1.50 0.36 0.00 2.13 0.00 0.00 52.55 53.58 3k2i s ASP 61 Cb -0.13 -1.74 1.89 0.00 -1.45 0.00 0.00 42.92 41.48 3k2i s ASP 61 CO -0.06 -0.34 2.10 -0.07 0.13 0.00 0.00 175.17 176.92 3k2i h LEU 62 N 8.00 0.00 -0.21 -1.34 3.38 -1.51 0.13 115.31 123.77 3k2i h LEU 62 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3k2i h LEU 62 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3k2i h LEU 62 CO 0.58 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.49 3k2i n GLU 63 N -2.81 0.08 0.00 1.13 1.02 -1.26 -3.97 120.64 114.83 3k2i n GLU 63 Ca -0.02 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 3k2i n GLU 63 Cb 0.10 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 3k2i n GLU 63 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3k2i n ARG 64 N -1.78 1.86 -3.21 3.49 1.74 0.29 -4.96 116.66 114.10 3k2i n ARG 64 Ca 0.04 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.72 3k2i n ARG 64 Cb 0.23 -0.83 -0.07 0.00 -1.02 0.00 0.00 32.46 30.78 3k2i n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k2i s ALA 65 N -1.65 3.57 0.35 7.54 0.00 -0.18 -5.04 121.76 126.35 3k2i s ALA 65 Ca 0.00 -0.45 -0.27 0.00 0.00 0.00 0.00 51.96 51.24 3k2i s ALA 65 Cb 0.00 -2.89 -0.09 0.00 0.00 0.00 0.00 23.12 20.14 3k2i s ALA 65 CO 0.00 -0.60 1.18 -1.25 0.00 0.00 0.00 175.76 175.09 3k2i s PRO 66 N 2.01 4.29 0.36 0.00 0.05 -1.26 -4.70 135.00 135.75 3k2i s PRO 66 Ca 0.24 1.91 -0.28 0.00 0.05 0.00 0.00 61.00 62.92 3k2i s PRO 66 Cb -0.16 -2.91 -0.11 0.00 0.05 0.00 0.00 34.50 31.38 3k2i s PRO 66 CO 0.09 -0.13 1.43 0.00 0.05 0.00 0.00 177.00 178.44 3k2i s ALA 67 N -1.29 3.55 -1.37 8.56 0.00 0.39 -4.80 121.76 126.80 3k2i s ALA 67 Ca 0.52 1.47 0.23 0.00 0.00 0.00 0.00 51.96 54.18 3k2i s ALA 67 Cb -0.33 -3.57 0.12 0.00 0.00 0.00 0.00 23.12 19.34 3k2i s ALA 67 CO 0.42 -0.93 1.15 1.28 0.00 0.00 0.00 175.76 177.68 3k2i n LEU 68 N 0.56 1.16 0.00 0.00 4.77 0.10 -0.17 117.00 123.42 3k2i n LEU 68 Ca 0.01 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3k2i n LEU 68 Cb 0.40 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3k2i n LEU 68 CO 0.62 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3k2i n GLY 69 N 1.46 1.15 0.00 -0.72 0.00 -1.25 -4.93 105.19 100.90 3k2i n GLY 69 Ca 0.07 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3k2i n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2i n GLY 70 N -0.75 0.16 0.26 -0.02 0.00 -1.26 -0.92 105.19 102.67 3k2i n GLY 70 Ca 0.00 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.53 3k2i n GLY 70 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k2i h SER 71 N 0.00 0.00 -5.22 1.61 0.02 -1.05 -3.45 113.55 105.46 3k2i h SER 71 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3k2i h SER 71 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3k2i h SER 71 CO 0.00 0.12 0.05 0.72 -1.14 0.00 0.00 176.83 176.58 3k2i s PHE 72 N -4.12 0.45 0.07 3.45 -0.71 -1.26 -5.02 117.98 110.84 3k2i s PHE 72 Ca -0.02 -0.91 -0.07 0.00 -1.04 0.00 0.00 56.93 54.89 3k2i s PHE 72 Cb 0.13 0.41 -0.01 0.00 -1.21 0.00 0.00 43.02 42.34 3k2i s PHE 72 CO 0.58 -1.31 0.14 0.00 -1.34 0.00 0.00 175.22 173.30 3k2i s ALA 73 N -2.97 -0.10 0.00 1.99 0.00 -1.26 -3.99 121.76 115.44 3k2i s ALA 73 Ca 0.21 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3k2i s ALA 73 Cb -0.03 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.49 3k2i s ALA 73 CO 0.14 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.86 3k2i n GLY 74 N 0.15 -2.08 3.50 0.00 0.00 0.76 -4.75 105.19 102.77 3k2i n GLY 74 Ca -0.16 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 3k2i n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k2i s LEU 75 N 0.00 3.97 -0.44 0.99 2.96 -1.26 -0.46 118.68 124.44 3k2i s LEU 75 Ca 0.00 -1.08 0.03 0.00 -0.22 0.00 0.00 54.13 52.86 3k2i s LEU 75 Cb 0.00 -2.48 0.15 0.00 0.50 0.00 0.00 46.19 44.36 3k2i s LEU 75 CO 0.00 -1.51 0.30 -1.61 -1.32 0.00 0.00 176.35 172.20 3k2i s GLU 76 N 4.51 1.08 0.55 1.98 0.41 -1.26 -5.00 118.70 120.96 3k2i s GLU 76 Ca 0.32 -2.01 0.23 0.00 -0.41 0.00 0.00 54.97 53.09 3k2i s GLU 76 Cb -0.09 -1.84 1.45 0.00 -1.78 0.00 0.00 34.13 31.87 3k2i s GLU 76 CO 0.05 -1.27 2.10 -1.35 -0.49 0.00 0.00 175.26 174.30 3k2i h PRO 77 N 6.25 0.00 -0.52 0.39 0.11 -1.91 -0.10 132.00 136.23 3k2i h PRO 77 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3k2i h PRO 77 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3k2i h PRO 77 CO 0.41 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.87 3k2i n MET 78 N -4.25 2.99 -0.20 1.05 2.81 -1.26 -4.68 117.12 113.57 3k2i n MET 78 Ca 0.02 -2.46 0.14 0.00 -1.81 0.00 0.00 57.70 53.59 3k2i n MET 78 Cb 0.30 -1.52 0.45 0.00 -0.71 0.00 0.00 33.22 31.74 3k2i n MET 78 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3k2i h GLY 79 N 3.08 0.90 2.00 3.03 0.00 -1.42 0.73 103.07 111.38 3k2i h GLY 79 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3k2i h GLY 79 CO 0.06 0.08 -0.02 1.41 0.00 0.00 0.00 176.54 178.06 3k2i h LEU 80 N 0.53 0.00 0.00 3.11 3.38 -1.83 0.27 115.31 120.76 3k2i h LEU 80 Ca 0.40 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.19 3k2i h LEU 80 Cb 0.79 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3k2i h LEU 80 CO -0.15 0.02 -1.17 0.18 0.09 0.00 0.00 178.44 177.42 3k2i n LEU 81 N -3.32 1.86 0.25 1.67 4.77 0.18 -4.02 117.00 118.39 3k2i n LEU 81 Ca -0.02 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.57 3k2i n LEU 81 Cb 0.15 -0.91 0.60 0.00 -2.33 0.00 0.00 43.42 40.93 3k2i n LEU 81 CO 0.24 0.05 0.91 4.11 -1.33 0.00 0.00 177.39 181.37 3k2i h TRP 82 N -1.00 0.00 -0.01 -1.77 5.08 -1.28 -1.98 115.95 115.00 3k2i h TRP 82 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 3k2i h TRP 82 Cb 1.08 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.24 3k2i h TRP 82 CO -0.05 0.12 -0.31 0.00 -1.28 0.00 0.00 178.44 176.92 3k2i n ALA 83 N -2.18 3.19 -1.55 0.11 0.00 0.07 -4.30 120.51 115.85 3k2i n ALA 83 Ca -0.00 -0.42 -0.56 0.00 0.00 0.00 0.00 53.44 52.46 3k2i n ALA 83 Cb 0.35 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 3k2i n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k2i n LEU 84 N -0.71 0.83 -4.17 0.00 4.77 -0.74 -4.75 117.00 112.23 3k2i n LEU 84 Ca 0.11 1.14 -0.23 0.00 -0.03 0.00 0.00 56.01 57.00 3k2i n LEU 84 Cb 0.35 -1.04 -0.14 0.00 -2.33 0.00 0.00 43.42 40.26 3k2i n LEU 84 CO 0.27 -1.45 -0.49 -1.61 -1.33 0.00 0.00 177.39 172.78 3k2i s GLU 85 N 0.43 1.23 0.38 3.23 2.02 -0.87 -4.78 118.70 120.35 3k2i s GLU 85 Ca 0.89 -0.70 -0.23 0.00 0.02 0.00 0.00 54.97 54.95 3k2i s GLU 85 Cb -1.13 -1.24 -0.10 0.00 0.10 0.00 0.00 34.13 31.75 3k2i s GLU 85 CO 0.54 0.33 0.93 -1.25 0.02 0.00 0.00 175.26 175.83 3k2i s PRO 86 N -0.75 4.36 0.17 0.39 0.04 -1.26 -1.28 135.00 136.67 3k2i s PRO 86 Ca 0.05 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.27 3k2i s PRO 86 Cb -0.07 -2.45 0.02 0.00 0.04 0.00 0.00 34.50 32.03 3k2i s PRO 86 CO 0.00 0.11 1.39 1.05 0.04 0.00 0.00 177.00 179.60 3k2i h GLU 87 N 2.46 0.30 -6.34 4.56 4.11 -1.84 -3.43 114.58 114.40 3k2i h GLU 87 Ca -0.48 -0.29 -0.55 0.00 0.07 0.00 0.00 59.36 58.11 3k2i h GLU 87 Cb 1.18 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3k2i h GLU 87 CO 0.63 0.97 0.79 0.21 0.07 0.00 0.00 179.01 181.68 3k2i s LYS 88 N -3.38 4.30 0.49 1.06 2.20 -1.26 -4.99 119.74 118.16 3k2i s LYS 88 Ca -0.04 1.86 -0.22 0.00 -0.36 0.00 0.00 55.97 57.20 3k2i s LYS 88 Cb 0.10 -3.58 -0.07 0.00 -1.51 0.00 0.00 37.83 32.77 3k2i s LYS 88 CO 0.84 -0.54 1.15 -1.25 -0.36 0.00 0.00 175.35 175.18 3k2i s PRO 89 N 2.41 3.64 -1.42 4.03 0.04 -1.26 -3.45 135.00 138.98 3k2i s PRO 89 Ca 0.61 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.36 3k2i s PRO 89 Cb -0.29 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 31.98 3k2i s PRO 89 CO 0.24 -0.64 0.00 1.19 0.04 0.00 0.00 177.00 177.84 3k2i n PHE 90 N -0.75 -0.07 -3.86 0.56 3.72 -1.26 -4.98 117.46 110.83 3k2i n PHE 90 Ca 0.09 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.13 3k2i n PHE 90 Cb 0.49 -2.50 -0.10 0.00 -0.94 0.00 0.00 39.48 36.43 3k2i n PHE 90 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 3k2i s TRP 91 N -2.53 3.25 -0.11 1.38 -0.11 -1.22 -4.52 118.94 115.08 3k2i s TRP 91 Ca 0.00 0.06 -0.12 0.00 1.22 0.00 0.00 56.10 57.26 3k2i s TRP 91 Cb 0.00 -2.16 -0.05 0.00 -1.50 0.00 0.00 33.47 29.76 3k2i s TRP 91 CO 0.00 0.06 0.29 0.50 -4.62 0.00 0.00 176.95 173.18 3k2i s ARG 92 N 0.74 3.96 -0.23 5.86 3.52 -1.26 -4.78 118.95 126.77 3k2i s ARG 92 Ca 0.05 0.12 -0.29 0.00 -0.13 0.00 0.00 55.73 55.48 3k2i s ARG 92 Cb -0.13 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 29.92 3k2i s ARG 92 CO 0.02 0.50 1.68 0.12 -0.81 0.00 0.00 175.30 176.80 3k2i s PHE 93 N -0.33 2.00 0.11 5.12 2.19 -1.26 -5.02 117.98 120.79 3k2i s PHE 93 Ca 0.18 0.52 -0.02 0.00 0.33 0.00 0.00 56.93 57.94 3k2i s PHE 93 Cb -0.14 -4.02 -0.04 0.00 -1.31 0.00 0.00 43.02 37.52 3k2i s PHE 93 CO 0.06 -3.06 0.06 -0.51 1.83 0.00 0.00 175.22 173.61 3k2i s LEU 94 N 5.57 1.88 -0.24 6.12 1.02 -1.26 -4.92 118.68 126.85 3k2i s LEU 94 Ca 0.74 -1.09 -0.03 0.00 0.02 0.00 0.00 54.13 53.77 3k2i s LEU 94 Cb -0.25 0.39 0.01 0.00 0.02 0.00 0.00 46.19 46.36 3k2i s LEU 94 CO 0.31 -0.71 -0.04 -0.75 0.02 0.00 0.00 176.35 175.18 3k2i s LYS 95 N -4.00 3.14 -0.16 1.70 2.47 -1.26 -4.84 119.74 116.79 3k2i s LYS 95 Ca 0.18 -0.78 -0.08 0.00 -1.56 0.00 0.00 55.97 53.73 3k2i s LYS 95 Cb 0.07 -3.03 -0.23 0.00 -1.46 0.00 0.00 37.83 33.18 3k2i s LYS 95 CO -0.02 -0.30 0.21 0.54 0.16 0.00 0.00 175.35 175.94 3k2i n ARG 96 N 4.76 0.71 -3.55 4.03 1.74 -1.26 -4.56 116.66 118.52 3k2i n ARG 96 Ca -0.17 0.29 -0.41 0.00 -0.77 0.00 0.00 57.85 56.79 3k2i n ARG 96 Cb 0.49 -1.67 -0.08 0.00 -1.02 0.00 0.00 32.46 30.18 3k2i n ARG 96 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3k2i s ASP 97 N -6.95 5.73 0.10 0.55 3.68 -1.26 -4.75 116.67 113.76 3k2i s ASP 97 Ca -0.26 -1.99 0.25 0.00 2.13 0.00 0.00 52.55 52.68 3k2i s ASP 97 Cb 0.07 -2.01 0.97 0.00 -1.45 0.00 0.00 42.92 40.50 3k2i s ASP 97 CO 0.70 -0.68 1.78 1.33 0.13 0.00 0.00 175.17 178.43 3k2i n VAL 98 N 4.81 0.46 0.36 1.11 0.24 -1.26 -2.55 118.33 121.49 3k2i n VAL 98 Ca -0.06 -0.02 0.14 0.00 -2.04 0.00 0.00 64.34 62.36 3k2i n VAL 98 Cb 0.41 -0.70 0.46 0.00 -1.47 0.00 0.00 33.84 32.54 3k2i n VAL 98 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3k2i h GLN 99 N 0.00 0.00 -5.12 7.34 4.20 -1.93 -2.99 115.11 116.61 3k2i h GLN 99 Ca 0.00 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.06 3k2i h GLN 99 Cb 0.51 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 28.04 3k2i h GLN 99 CO 0.00 0.00 -0.70 0.42 -0.67 0.00 0.00 178.83 177.88 3k2i s ILE 100 N -3.36 3.61 0.93 2.54 1.01 -1.06 -4.94 121.20 119.93 3k2i s ILE 100 Ca 0.05 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 3k2i s ILE 100 Cb 0.09 -2.62 0.15 0.00 0.01 0.00 0.00 42.46 40.09 3k2i s ILE 100 CO 0.55 0.44 1.13 -2.16 0.00 0.00 0.00 174.94 174.91 3k2i s PRO 101 N 1.04 0.95 0.30 2.79 0.04 -1.26 -4.80 135.00 134.06 3k2i s PRO 101 Ca 0.01 0.31 -0.05 0.00 0.04 0.00 0.00 61.00 61.31 3k2i s PRO 101 Cb -0.15 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 3k2i s PRO 101 CO 0.01 -2.33 0.57 -0.06 0.04 0.00 0.00 177.00 175.22 3k2i s PHE 102 N -3.23 3.48 -0.22 0.56 0.08 0.57 -4.91 117.98 114.31 3k2i s PHE 102 Ca 0.64 0.65 0.00 0.00 0.12 0.00 0.00 56.93 58.34 3k2i s PHE 102 Cb -0.15 -2.11 0.03 0.00 -0.57 0.00 0.00 43.02 40.22 3k2i s PHE 102 CO 0.54 0.15 -0.12 0.08 -0.10 0.00 0.00 175.22 175.77 3k2i s VAL 103 N -2.12 2.48 -0.23 -0.44 1.01 -1.26 -0.57 120.40 119.26 3k2i s VAL 103 Ca 0.44 -1.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 3k2i s VAL 103 Cb -0.11 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3k2i s VAL 103 CO 0.31 0.29 0.32 -0.69 0.00 0.00 0.00 175.10 175.33 3k2i s VAL 104 N 1.28 5.24 -0.28 2.92 1.01 0.67 -4.43 120.40 126.81 3k2i s VAL 104 Ca 0.00 0.51 -0.18 0.00 0.00 0.00 0.00 61.98 62.31 3k2i s VAL 104 Cb -0.16 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3k2i s VAL 104 CO -0.08 0.25 0.53 -1.61 0.00 0.00 0.00 175.10 174.19 3k2i s GLU 105 N 1.50 3.98 -0.14 2.72 8.01 -0.41 -0.47 118.70 133.90 3k2i s GLU 105 Ca 0.14 0.25 -0.06 0.00 0.01 0.00 0.00 54.97 55.31 3k2i s GLU 105 Cb -0.15 -3.68 -0.04 0.00 -4.31 0.00 0.00 34.13 25.95 3k2i s GLU 105 CO 0.08 -0.42 0.09 -0.51 0.01 0.00 0.00 175.26 174.50 3k2i s LEU 106 N 2.36 4.03 -0.01 1.80 1.43 -0.39 -1.68 118.68 126.23 3k2i s LEU 106 Ca 0.21 0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 3k2i s LEU 106 Cb -0.15 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.07 3k2i s LEU 106 CO 0.10 0.32 -0.07 -1.61 0.23 0.00 0.00 176.35 175.32 3k2i s GLU 107 N -0.48 0.56 -0.28 1.70 2.02 -0.41 -1.83 118.70 119.99 3k2i s GLU 107 Ca 0.11 -0.24 -0.06 0.00 0.02 0.00 0.00 54.97 54.80 3k2i s GLU 107 Cb -0.12 -0.55 0.00 0.00 0.10 0.00 0.00 34.13 33.57 3k2i s GLU 107 CO 0.02 0.13 0.06 0.08 0.02 0.00 0.00 175.26 175.57 3k2i s VAL 108 N -0.10 3.88 0.18 2.63 1.01 -0.70 -0.27 120.40 127.03 3k2i s VAL 108 Ca 0.02 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.47 3k2i s VAL 108 Cb -0.03 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3k2i s VAL 108 CO -0.00 0.17 -0.02 -0.76 0.00 0.00 0.00 175.10 174.49 3k2i s LEU 109 N 1.51 3.25 0.09 3.92 1.43 0.33 -0.70 118.68 128.50 3k2i s LEU 109 Ca 0.03 -0.44 -0.22 0.00 -1.03 0.00 0.00 54.13 52.48 3k2i s LEU 109 Cb -0.16 -1.90 -0.07 0.00 0.03 0.00 0.00 46.19 44.09 3k2i s LEU 109 CO 0.02 0.09 0.66 -0.62 0.23 0.00 0.00 176.35 176.73 3k2i s ASP 110 N -2.95 7.18 0.00 2.29 2.15 -0.89 -1.01 116.67 123.45 3k2i s ASP 110 Ca 0.27 1.40 0.00 0.00 0.43 0.00 0.00 52.55 54.65 3k2i s ASP 110 Cb -0.09 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 3k2i s ASP 110 CO 0.18 0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.99 3k2i n GLY 111 N 1.85 -2.36 0.12 2.66 0.00 0.23 -2.84 105.19 104.86 3k2i n GLY 111 Ca -0.07 -1.56 0.04 0.00 0.00 0.00 0.00 46.02 44.42 3k2i n GLY 111 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k2i n HIS 112 N -0.93 0.00 -2.61 1.61 8.25 -1.26 -3.10 115.22 117.18 3k2i n HIS 112 Ca 0.00 -0.53 -0.33 0.00 -0.26 0.00 0.00 57.72 56.60 3k2i n HIS 112 Cb 0.00 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 30.98 3k2i n HIS 112 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3k2i s ASP 113 N -1.61 6.73 0.20 0.41 1.11 -1.26 -4.97 116.67 117.29 3k2i s ASP 113 Ca 0.13 1.66 -0.08 0.00 0.18 0.00 0.00 52.55 54.44 3k2i s ASP 113 Cb 0.11 -2.53 0.13 0.00 1.07 0.00 0.00 42.92 41.70 3k2i s ASP 113 CO 0.01 -0.51 1.74 -0.65 1.18 0.00 0.00 175.17 176.94 3k2i h PRO 114 N 1.44 1.14 -6.09 8.23 0.11 -2.01 -3.34 132.00 131.48 3k2i h PRO 114 Ca -0.48 -0.25 -0.52 0.00 0.11 0.00 0.00 66.00 64.86 3k2i h PRO 114 Cb 1.19 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 3k2i h PRO 114 CO 0.61 0.98 1.31 -1.21 -0.21 0.00 0.00 178.00 179.48 3k2i s GLU 115 N -5.40 2.88 0.34 1.05 2.02 -1.26 -4.99 118.70 113.34 3k2i s GLU 115 Ca -0.12 0.84 -0.28 0.00 0.02 0.00 0.00 54.97 55.43 3k2i s GLU 115 Cb 0.15 -4.31 -0.12 0.00 0.10 0.00 0.00 34.13 29.94 3k2i s GLU 115 CO 0.84 -2.42 1.21 -2.30 0.02 0.00 0.00 175.26 172.61 3k2i n PRO 116 N 8.91 1.90 0.00 0.39 -0.02 -1.25 -4.97 135.00 139.96 3k2i n PRO 116 Ca 0.21 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3k2i n PRO 116 Cb 0.50 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3k2i n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k2i n GLY 117 N 0.89 -1.17 3.79 -1.23 0.00 -1.13 -5.01 105.19 101.33 3k2i n GLY 117 Ca 0.06 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 3k2i n GLY 117 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3k2i s ARG 118 N -1.65 3.52 -0.24 1.61 1.70 -1.26 -4.49 118.95 118.15 3k2i s ARG 118 Ca 0.00 1.36 -0.29 0.00 -0.47 0.00 0.00 55.73 56.33 3k2i s ARG 118 Cb 0.00 -2.05 -0.01 0.00 -0.57 0.00 0.00 34.95 32.32 3k2i s ARG 118 CO 0.00 -0.66 1.32 -1.17 -1.08 0.00 0.00 175.30 173.70 3k2i s LEU 119 N -3.92 4.00 0.06 -1.89 2.96 -1.26 -2.09 118.68 116.54 3k2i s LEU 119 Ca 0.67 1.44 0.14 0.00 -0.22 0.00 0.00 54.13 56.16 3k2i s LEU 119 Cb -0.18 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.83 3k2i s LEU 119 CO 0.27 -0.97 0.89 -0.07 -1.32 0.00 0.00 176.35 175.15 3k2i h LEU 120 N 10.50 0.00 -7.00 -0.68 3.38 -1.27 -3.49 115.31 116.75 3k2i h LEU 120 Ca -0.27 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.89 3k2i h LEU 120 Cb 1.10 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.59 3k2i h LEU 120 CO 1.01 0.73 0.82 0.00 0.09 0.00 0.00 178.44 181.09 3k2i s GLN 122 N -0.93 1.52 0.01 0.00 -2.07 -1.26 -1.71 119.66 115.22 3k2i s GLN 122 Ca 0.06 -0.94 -0.28 0.00 -1.82 0.00 0.00 55.36 52.38 3k2i s GLN 122 Cb -0.01 0.54 0.08 0.00 -1.09 0.00 0.00 33.01 32.54 3k2i s GLN 122 CO -0.06 -0.66 0.74 0.00 -1.32 0.00 0.00 175.29 173.99 3k2i s ALA 123 N -3.90 -1.75 -0.12 2.60 0.00 -0.76 -4.81 121.76 113.01 3k2i s ALA 123 Ca 0.11 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.13 3k2i s ALA 123 Cb -0.02 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.37 3k2i s ALA 123 CO 0.01 -0.55 -0.16 -0.65 0.00 0.00 0.00 175.76 174.42 3k2i s GLN 124 N -2.37 2.32 -0.20 0.00 -0.21 -1.26 -1.26 119.66 116.68 3k2i s GLN 124 Ca -0.03 -0.59 0.01 0.00 0.02 0.00 0.00 55.36 54.77 3k2i s GLN 124 Cb -0.01 -1.99 0.02 0.00 1.00 0.00 0.00 33.01 32.04 3k2i s GLN 124 CO -0.02 -0.09 -0.16 -1.58 -2.12 0.00 0.00 175.29 171.31 3k2i s HIS 125 N 1.07 2.88 -0.04 0.91 2.46 0.39 -4.96 115.29 117.99 3k2i s HIS 125 Ca -0.04 -1.67 -0.27 0.00 0.47 0.00 0.00 55.06 53.55 3k2i s HIS 125 Cb -0.15 -1.95 -0.03 0.00 -0.13 0.00 0.00 32.58 30.32 3k2i s HIS 125 CO -0.03 -0.79 0.85 -1.21 -2.47 0.00 0.00 174.74 171.08 3k2i s GLU 126 N 1.28 4.49 -0.16 2.88 2.02 -1.26 -0.24 118.70 127.71 3k2i s GLU 126 Ca 0.03 1.16 0.02 0.00 0.02 0.00 0.00 54.97 56.19 3k2i s GLU 126 Cb -0.14 -3.46 0.02 0.00 0.10 0.00 0.00 34.13 30.64 3k2i s GLU 126 CO -0.10 -0.02 -0.21 1.03 0.02 0.00 0.00 175.26 175.97 3k2i s ARG 127 N 1.02 2.99 0.13 1.61 0.52 0.26 -4.50 118.95 120.98 3k2i s ARG 127 Ca 0.45 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 3k2i s ARG 127 Cb -0.19 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 3k2i s ARG 127 CO 0.22 -0.12 0.30 -1.01 0.02 0.00 0.00 175.30 174.71 3k2i s HIS 128 N 1.08 3.49 -0.14 -0.53 3.76 -0.75 -0.32 115.29 121.89 3k2i s HIS 128 Ca -0.00 0.27 0.06 0.00 -0.15 0.00 0.00 55.06 55.24 3k2i s HIS 128 Cb -0.14 -1.78 -0.09 0.00 1.11 0.00 0.00 32.58 31.68 3k2i s HIS 128 CO -0.08 0.49 0.20 1.19 -0.85 0.00 0.00 174.74 175.69 3k2i n PHE 129 N -0.24 0.00 -3.61 1.40 3.72 -1.26 -0.73 117.46 116.74 3k2i n PHE 129 Ca -0.05 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.95 3k2i n PHE 129 Cb 0.53 -0.08 -0.09 0.00 -0.94 0.00 0.00 39.48 38.89 3k2i n PHE 129 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3k2i s LEU 130 N -2.91 5.49 0.83 4.37 2.96 -1.13 -3.73 118.68 124.57 3k2i s LEU 130 Ca -0.00 -1.87 -0.13 0.00 -0.22 0.00 0.00 54.13 51.91 3k2i s LEU 130 Cb 0.04 -1.96 0.08 0.00 0.50 0.00 0.00 46.19 44.85 3k2i s LEU 130 CO 0.26 -0.63 1.05 -2.65 -1.32 0.00 0.00 176.35 173.06 3k2i n PRO 131 N 4.84 0.04 -1.93 0.98 -0.02 -1.26 -4.86 135.00 132.78 3k2i n PRO 131 Ca -0.07 0.09 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 3k2i n PRO 131 Cb 0.41 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 3k2i n PRO 131 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3k2i s PRO 132 N -4.01 4.22 0.00 0.52 0.02 -1.26 -2.10 135.00 132.38 3k2i s PRO 132 Ca 0.70 2.38 0.00 0.00 0.02 0.00 0.00 61.00 64.10 3k2i s PRO 132 Cb -0.28 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.11 3k2i s PRO 132 CO 0.54 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 177.05 3k2i n GLY 133 N 3.27 1.94 3.72 0.52 0.00 -1.26 -4.78 105.19 108.59 3k2i n GLY 133 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3k2i n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k2i s VAL 134 N -2.34 4.65 -0.19 1.61 1.01 -0.89 -3.46 120.40 120.80 3k2i s VAL 134 Ca 0.00 2.01 -0.09 0.00 0.00 0.00 0.00 61.98 63.90 3k2i s VAL 134 Cb 0.00 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 3k2i s VAL 134 CO 0.00 0.22 0.13 0.86 0.00 0.00 0.00 175.10 176.31 3k2i s TRP 135 N 0.62 3.44 -0.21 5.22 -0.11 -0.61 -4.91 118.94 122.39 3k2i s TRP 135 Ca 0.51 0.37 -0.09 0.00 1.22 0.00 0.00 56.10 58.10 3k2i s TRP 135 Cb -0.23 -2.12 -0.05 0.00 -1.50 0.00 0.00 33.47 29.58 3k2i s TRP 135 CO 0.29 0.37 0.11 0.50 -4.62 0.00 0.00 176.95 173.60 3k2i s ARG 136 N 0.11 4.04 -0.12 5.86 3.52 -1.26 -1.51 118.95 129.58 3k2i s ARG 136 Ca 0.09 -0.30 -0.02 0.00 -0.13 0.00 0.00 55.73 55.38 3k2i s ARG 136 Cb -0.11 -3.39 0.04 0.00 -1.56 0.00 0.00 34.95 29.93 3k2i s ARG 136 CO -0.01 0.17 0.00 -1.14 -0.81 0.00 0.00 175.30 173.52 3k2i s GLN 137 N 0.70 0.72 0.31 5.12 0.74 0.32 -4.99 119.66 122.58 3k2i s GLN 137 Ca 0.06 -0.11 -0.29 0.00 0.05 0.00 0.00 55.36 55.07 3k2i s GLN 137 Cb -0.13 -1.43 -0.13 0.00 1.10 0.00 0.00 33.01 32.43 3k2i s GLN 137 CO 0.01 -0.41 1.32 0.45 -0.55 0.00 0.00 175.29 176.11 3k2i n SER 138 N 5.09 2.71 -4.04 6.67 2.88 -1.26 -0.71 113.62 124.96 3k2i n SER 138 Ca -0.08 1.19 -0.29 0.00 -1.33 0.00 0.00 58.87 58.35 3k2i n SER 138 Cb 0.49 -1.46 -0.17 0.00 -0.75 0.00 0.00 64.21 62.32 3k2i n SER 138 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3k2i s VAL 139 N -0.75 1.50 -0.38 2.46 1.01 0.23 -4.84 120.40 119.63 3k2i s VAL 139 Ca 0.60 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3k2i s VAL 139 Cb -0.60 -1.38 0.15 0.00 0.00 0.00 0.00 36.38 34.55 3k2i s VAL 139 CO 0.58 0.44 0.25 -0.13 0.00 0.00 0.00 175.10 176.24 3k2i s ARG 140 N 1.11 0.70 -0.20 2.72 1.81 -1.25 -2.34 118.95 121.51 3k2i s ARG 140 Ca -0.04 -1.59 0.01 0.00 -1.72 0.00 0.00 55.73 52.40 3k2i s ARG 140 Cb -0.14 -1.42 0.03 0.00 -0.45 0.00 0.00 34.95 32.97 3k2i s ARG 140 CO -0.04 -1.25 -0.16 0.00 -0.68 0.00 0.00 175.30 173.17 3k2i s ALA 141 N 0.75 2.26 0.00 2.13 0.00 -1.10 -4.97 121.76 120.83 3k2i s ALA 141 Ca 0.22 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.89 3k2i s ALA 141 Cb -0.16 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.69 3k2i s ALA 141 CO -0.04 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.52 3k2i n GLY 142 N 4.61 3.20 0.76 0.00 0.00 -1.26 -1.25 105.19 111.26 3k2i n GLY 142 Ca -0.18 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.81 3k2i n GLY 142 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3k2i n ARG 143 N 13.59 2.01 -1.93 1.61 1.85 -1.26 -4.92 116.66 127.61 3k2i n ARG 143 Ca 0.00 -1.52 -0.42 0.00 -1.00 0.00 0.00 57.85 54.91 3k2i n ARG 143 Cb 0.00 -1.47 -0.03 0.00 -1.05 0.00 0.00 32.46 29.91 3k2i n ARG 143 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3k2i s VAL 144 N -2.04 3.38 -0.26 8.89 1.01 -0.38 -4.97 120.40 126.03 3k2i s VAL 144 Ca 0.31 0.54 -0.03 0.00 0.00 0.00 0.00 61.98 62.80 3k2i s VAL 144 Cb 0.20 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 33.26 3k2i s VAL 144 CO 0.33 -0.04 -0.02 -0.13 0.00 0.00 0.00 175.10 175.24 3k2i s ARG 145 N 3.85 2.94 0.30 2.72 1.81 -1.26 -2.69 118.95 126.61 3k2i s ARG 145 Ca 0.76 -0.92 -0.20 0.00 -1.72 0.00 0.00 55.73 53.65 3k2i s ARG 145 Cb -0.36 -3.09 0.03 0.00 -0.45 0.00 0.00 34.95 31.08 3k2i s ARG 145 CO 0.32 -0.40 0.75 0.00 -0.68 0.00 0.00 175.30 175.30 3k2i s ALA 146 N 1.38 -1.14 -0.07 2.13 0.00 -0.99 -1.87 121.76 121.21 3k2i s ALA 146 Ca 0.01 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.60 3k2i s ALA 146 Cb -0.17 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.77 3k2i s ALA 146 CO -0.03 -1.03 -0.11 0.99 0.00 0.00 0.00 175.76 175.59 3k2i s THR 147 N -3.51 1.02 -0.14 0.00 2.01 -0.14 -0.60 115.64 114.29 3k2i s THR 147 Ca 0.12 -0.40 -0.09 0.00 0.31 0.00 0.00 61.69 61.63 3k2i s THR 147 Cb -0.06 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 3k2i s THR 147 CO 0.08 0.33 0.16 -0.22 -0.69 0.00 0.00 174.62 174.28 3k2i s LEU 148 N 0.80 4.33 -0.13 4.42 2.96 0.11 -0.70 118.68 130.47 3k2i s LEU 148 Ca -0.12 0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 3k2i s LEU 148 Cb -0.15 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.42 3k2i s LEU 148 CO 0.02 0.32 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.80 3k2i s PHE 149 N -0.53 2.52 -0.15 5.38 0.08 0.70 -0.52 117.98 125.45 3k2i s PHE 149 Ca 0.14 -1.26 -0.04 0.00 0.12 0.00 0.00 56.93 55.90 3k2i s PHE 149 Cb -0.12 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 3k2i s PHE 149 CO 0.03 -0.58 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.02 3k2i s LEU 150 N 0.84 3.24 0.90 -0.37 1.43 -0.57 -1.36 118.68 122.79 3k2i s LEU 150 Ca -0.07 -0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 3k2i s LEU 150 Cb -0.15 -1.78 0.10 0.00 0.03 0.00 0.00 46.19 44.39 3k2i s LEU 150 CO -0.02 0.17 0.96 -2.65 0.23 0.00 0.00 176.35 175.04 3k2i n PRO 151 N 3.52 -0.27 -1.72 1.29 -0.02 -1.26 -1.57 135.00 134.97 3k2i n PRO 151 Ca -0.17 -0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 60.88 3k2i n PRO 151 Cb 0.52 -2.24 0.01 0.00 -0.02 0.00 0.00 33.50 31.77 3k2i n PRO 151 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3k2i n PRO 152 N -3.32 2.08 0.00 0.52 -0.05 -1.22 -4.75 135.00 128.25 3k2i n PRO 152 Ca 0.11 0.74 0.00 0.00 -0.05 0.00 0.00 63.50 64.30 3k2i n PRO 152 Cb 0.52 -2.47 0.00 0.00 -0.05 0.00 0.00 33.50 31.50 3k2i n PRO 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3k2i n GLY 153 N 0.72 0.82 0.13 0.55 0.00 -1.26 -4.77 105.19 101.38 3k2i n GLY 153 Ca 0.06 -2.26 -0.01 0.00 0.00 0.00 0.00 46.02 43.80 3k2i n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k2i h PRO 154 N 0.00 0.00 0.00 1.61 0.13 -2.02 -3.50 132.00 128.22 3k2i h PRO 154 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3k2i h PRO 154 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3k2i h PRO 154 CO 0.00 0.64 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 3k2i n GLY 155 N 0.31 -0.91 3.77 1.56 0.00 -1.26 -4.85 105.19 103.80 3k2i n GLY 155 Ca -0.01 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 3k2i n GLY 155 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k2i s PRO 156 N 0.00 2.17 0.04 1.61 0.02 -1.26 -5.10 135.00 132.48 3k2i s PRO 156 Ca 0.00 1.08 0.07 0.00 0.02 0.00 0.00 61.00 62.17 3k2i s PRO 156 Cb 0.00 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.60 3k2i s PRO 156 CO 0.00 -1.68 -0.21 -0.06 -0.33 0.00 0.00 177.00 174.73 3k2i s PHE 157 N -2.93 1.81 0.34 6.54 0.08 0.04 -4.70 117.98 119.16 3k2i s PHE 157 Ca 0.61 -0.37 -0.28 0.00 0.12 0.00 0.00 56.93 57.00 3k2i s PHE 157 Cb -0.17 -1.09 -0.10 0.00 -0.57 0.00 0.00 43.02 41.09 3k2i s PHE 157 CO 0.56 0.08 1.33 -1.25 -0.10 0.00 0.00 175.22 175.85 3k2i s PRO 158 N -1.12 4.29 0.06 0.24 0.04 -1.26 -0.40 135.00 136.84 3k2i s PRO 158 Ca 0.07 2.27 0.05 0.00 0.04 0.00 0.00 61.00 63.43 3k2i s PRO 158 Cb -0.09 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 3k2i s PRO 158 CO 0.02 -0.26 -0.06 0.20 0.04 0.00 0.00 177.00 176.94 3k2i s GLY 159 N -0.45 1.82 -0.01 0.56 0.00 -1.26 -1.16 107.32 106.82 3k2i s GLY 159 Ca 0.50 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 44.11 3k2i s GLY 159 CO 0.54 -1.05 -0.04 -0.42 0.00 0.00 0.00 173.10 172.13 3k2i s ILE 160 N -1.16 0.33 -0.16 0.90 1.01 0.27 -1.24 121.20 121.15 3k2i s ILE 160 Ca 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.67 3k2i s ILE 160 Cb -0.11 -0.30 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 3k2i s ILE 160 CO 0.13 0.11 -0.01 -0.63 0.00 0.00 0.00 174.94 174.54 3k2i s ILE 161 N 0.12 4.14 -0.18 2.92 1.01 0.45 -0.93 121.20 128.73 3k2i s ILE 161 Ca -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 3k2i s ILE 161 Cb -0.04 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 3k2i s ILE 161 CO -0.00 0.48 -0.06 -0.62 0.00 0.00 0.00 174.94 174.74 3k2i s ASP 162 N 0.38 4.38 -0.06 3.58 2.15 0.81 -0.77 116.67 127.14 3k2i s ASP 162 Ca -0.02 -0.31 -0.01 0.00 0.43 0.00 0.00 52.55 52.64 3k2i s ASP 162 Cb -0.14 -1.73 0.03 0.00 -0.30 0.00 0.00 42.92 40.78 3k2i s ASP 162 CO 0.02 0.07 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.45 3k2i s ILE 163 N 0.96 0.38 0.71 4.11 1.01 -0.25 -1.89 121.20 126.23 3k2i s ILE 163 Ca -0.00 0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.66 3k2i s ILE 163 Cb -0.15 -0.50 0.08 0.00 0.01 0.00 0.00 42.46 41.90 3k2i s ILE 163 CO 0.00 0.24 1.02 -0.36 0.00 0.00 0.00 174.94 175.84 3k2i s PHE 164 N 1.66 2.61 0.00 3.97 0.08 -1.26 -2.58 117.98 122.46 3k2i s PHE 164 Ca 0.00 0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.34 3k2i s PHE 164 Cb -0.13 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.11 3k2i s PHE 164 CO -0.04 -1.51 0.00 0.41 -0.10 0.00 0.00 175.22 173.98 3k2i n GLY 165 N -2.93 1.08 3.55 4.36 0.00 -1.12 -3.27 105.19 106.87 3k2i n GLY 165 Ca 0.10 -1.87 -0.47 0.00 0.00 0.00 0.00 46.02 43.77 3k2i n GLY 165 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3k2i n ILE 166 N 0.00 1.41 0.00 -0.61 0.13 -1.26 -3.84 119.36 115.19 3k2i n ILE 166 Ca 0.00 -0.35 0.00 0.00 -1.10 0.00 0.00 62.75 61.30 3k2i n ILE 166 Cb 0.00 -0.75 0.00 0.00 -0.84 0.00 0.00 39.64 38.05 3k2i n ILE 166 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3k2i n GLY 167 N 1.71 4.03 2.70 4.50 0.00 -1.26 -5.07 105.19 111.80 3k2i n GLY 167 Ca 0.14 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.58 3k2i n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2i n GLY 168 N 0.00 -1.97 7.00 -0.02 0.00 -1.25 -4.99 105.19 103.95 3k2i n GLY 168 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3k2i n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2i n GLY 169 N -1.50 -1.47 2.68 -0.02 0.00 -0.27 -4.77 105.19 99.84 3k2i n GLY 169 Ca 0.00 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 3k2i n GLY 169 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k2i s LEU 170 N 0.00 2.28 -0.18 0.99 2.96 -1.26 -4.46 118.68 119.00 3k2i s LEU 170 Ca 0.00 -2.23 -0.18 0.00 -0.22 0.00 0.00 54.13 51.51 3k2i s LEU 170 Cb 0.00 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 3k2i s LEU 170 CO 0.00 -0.32 0.49 -0.76 -1.32 0.00 0.00 176.35 174.43 3k2i s LEU 171 N 0.89 4.17 0.00 -0.68 1.43 -1.26 -4.97 118.68 118.26 3k2i s LEU 171 Ca 0.15 0.67 0.12 0.00 -1.03 0.00 0.00 54.13 54.04 3k2i s LEU 171 Cb -0.22 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 3k2i s LEU 171 CO -0.08 -0.12 0.64 -0.62 0.23 0.00 0.00 176.35 176.40 3k2i n GLU 172 N 4.51 2.33 0.23 1.70 1.02 -1.26 -4.72 120.64 124.44 3k2i n GLU 172 Ca -0.06 -0.47 0.10 0.00 -0.02 0.00 0.00 57.16 56.71 3k2i n GLU 172 Cb 0.51 -1.12 0.50 0.00 -0.02 0.00 0.00 31.44 31.31 3k2i n GLU 172 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 3k2i h TYR 173 N 0.94 0.00 0.13 -0.32 -0.00 -1.93 -1.80 116.97 113.99 3k2i h TYR 173 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 58.73 58.44 3k2i h TYR 173 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.10 3k2i h TYR 173 CO 0.00 0.22 -1.36 -0.09 -0.00 0.00 0.00 178.16 176.93 3k2i h ARG 174 N 0.00 0.28 -0.59 0.10 2.43 -1.97 -3.01 114.38 111.62 3k2i h ARG 174 Ca -0.00 -0.47 -0.08 0.00 -0.81 0.00 0.00 59.98 58.62 3k2i h ARG 174 Cb 0.68 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 3k2i h ARG 174 CO 0.03 1.19 0.06 0.00 -1.51 0.00 0.00 179.97 179.74 3k2i h ALA 175 N 0.53 0.79 -0.26 2.80 0.00 -1.79 -2.25 119.26 119.08 3k2i h ALA 175 Ca -0.18 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 3k2i h ALA 175 Cb 2.00 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 3k2i h ALA 175 CO 0.19 0.57 -0.32 0.66 0.00 0.00 0.00 179.25 180.35 3k2i h SER 176 N 0.90 0.73 -0.96 0.00 4.64 -1.43 -1.98 113.55 115.45 3k2i h SER 176 Ca 0.18 -0.50 0.01 0.00 -0.47 0.00 0.00 61.79 61.01 3k2i h SER 176 Cb 0.47 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 62.30 3k2i h SER 176 CO 0.02 1.08 0.63 -0.07 -0.87 0.00 0.00 176.83 177.62 3k2i h LEU 177 N 0.40 1.11 -1.16 5.97 3.38 -1.58 -2.97 115.31 120.46 3k2i h LEU 177 Ca 0.03 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3k2i h LEU 177 Cb 0.90 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3k2i h LEU 177 CO 0.08 0.81 0.10 -0.07 0.09 0.00 0.00 178.44 179.45 3k2i h LEU 178 N 1.31 0.63 -1.98 1.67 3.38 -1.13 -2.15 115.31 117.03 3k2i h LEU 178 Ca 0.35 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.31 3k2i h LEU 178 Cb -0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3k2i h LEU 178 CO -0.07 0.64 0.25 0.00 0.09 0.00 0.00 178.44 179.34 3k2i h ALA 179 N 1.45 2.30 -0.04 1.53 0.00 -1.19 0.27 119.26 123.58 3k2i h ALA 179 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3k2i h ALA 179 Cb 0.26 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3k2i h ALA 179 CO -0.00 -0.40 0.04 0.78 0.00 0.00 0.00 179.25 179.67 3k2i h GLY 180 N 0.02 0.00 -3.14 0.00 0.00 -1.38 -2.47 103.07 96.10 3k2i h GLY 180 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3k2i h GLY 180 CO -0.01 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.95 3k2i n HIS 181 N -4.00 1.60 -0.32 5.60 -0.00 0.08 -4.92 115.22 113.27 3k2i n HIS 181 Ca -0.02 -0.61 0.00 0.00 -0.00 0.00 0.00 57.72 57.09 3k2i n HIS 181 Cb 0.13 -0.31 0.00 0.00 -0.00 0.00 0.00 29.99 29.81 3k2i n HIS 181 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3k2i n GLY 182 N 1.01 0.84 3.85 -1.41 0.00 -0.93 -5.08 105.19 103.47 3k2i n GLY 182 Ca 0.26 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 3k2i n GLY 182 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k2i s PHE 183 N -2.00 3.51 -0.11 1.61 0.08 -1.22 -4.36 117.98 115.49 3k2i s PHE 183 Ca 0.00 0.43 -0.26 0.00 0.12 0.00 0.00 56.93 57.22 3k2i s PHE 183 Cb 0.00 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 3k2i s PHE 183 CO 0.00 0.67 0.84 0.00 -0.10 0.00 0.00 175.22 176.63 3k2i s ALA 184 N -1.07 3.40 0.02 5.36 0.00 -0.31 -3.80 121.76 125.36 3k2i s ALA 184 Ca 0.17 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.34 3k2i s ALA 184 Cb -0.12 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 3k2i s ALA 184 CO 0.07 -0.44 -0.12 0.95 0.00 0.00 0.00 175.76 176.22 3k2i s THR 185 N 1.62 0.92 -0.22 0.00 -4.23 -0.46 -0.57 115.64 112.69 3k2i s THR 185 Ca 0.41 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 60.16 3k2i s THR 185 Cb -0.18 -0.82 0.04 0.00 1.34 0.00 0.00 72.50 72.88 3k2i s THR 185 CO 0.17 0.05 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.93 3k2i s LEU 186 N -0.82 2.79 -0.42 4.79 2.96 -0.10 -0.22 118.68 127.67 3k2i s LEU 186 Ca 0.01 -1.00 -0.29 0.00 -0.22 0.00 0.00 54.13 52.63 3k2i s LEU 186 Cb -0.06 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.13 3k2i s LEU 186 CO 0.00 -0.09 1.09 0.00 -1.32 0.00 0.00 176.35 176.03 3k2i s ALA 187 N 1.21 3.29 -0.26 5.97 0.00 0.13 -0.13 121.76 131.96 3k2i s ALA 187 Ca -0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 51.96 51.53 3k2i s ALA 187 Cb -0.16 -3.79 -0.01 0.00 0.00 0.00 0.00 23.12 19.16 3k2i s ALA 187 CO -0.09 -1.95 0.06 -1.17 0.00 0.00 0.00 175.76 172.61 3k2i s LEU 188 N 4.09 3.50 0.45 0.00 2.96 -0.79 -0.96 118.68 127.94 3k2i s LEU 188 Ca 0.46 -0.41 -0.19 0.00 -0.22 0.00 0.00 54.13 53.77 3k2i s LEU 188 Cb -0.09 -1.88 -0.10 0.00 0.50 0.00 0.00 46.19 44.62 3k2i s LEU 188 CO 0.25 -0.09 0.95 0.00 -1.32 0.00 0.00 176.35 176.14 3k2i s ALA 189 N 1.56 3.07 0.00 5.97 0.00 -0.78 -4.68 121.76 126.90 3k2i s ALA 189 Ca 0.05 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.30 3k2i s ALA 189 Cb -0.16 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3k2i s ALA 189 CO 0.02 0.01 0.00 2.48 0.00 0.00 0.00 175.76 178.27 3k2i n TYR 190 N -0.97 0.00 -3.50 0.00 4.11 -1.26 -4.65 117.16 110.89 3k2i n TYR 190 Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.84 3k2i n TYR 190 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.85 3k2i n TYR 190 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 3k2i s TYR 191 N 0.00 -0.46 -1.23 -3.48 -0.85 -1.26 -4.51 117.35 105.56 3k2i s TYR 191 Ca 0.00 0.32 -0.02 0.00 -0.52 0.00 0.00 57.07 56.85 3k2i s TYR 191 Cb 0.00 0.45 0.00 0.00 0.38 0.00 0.00 41.96 42.79 3k2i s TYR 191 CO 0.00 -0.77 1.04 -1.71 -1.52 0.00 0.00 175.55 172.59 3k2i n ASN 192 N -0.12 -2.90 -3.66 -0.18 5.15 -0.17 -1.12 115.26 112.26 3k2i n ASN 192 Ca -0.17 -0.60 -0.06 0.00 -0.60 0.00 0.00 54.58 53.15 3k2i n ASN 192 Cb 0.63 -5.11 -0.07 0.00 -0.53 0.00 0.00 39.78 34.70 3k2i n ASN 192 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 3k2i s PHE 193 N -3.35 -1.01 0.00 1.20 2.19 -1.26 -2.65 117.98 113.10 3k2i s PHE 193 Ca 0.12 1.88 0.00 0.00 0.33 0.00 0.00 56.93 59.26 3k2i s PHE 193 Cb -0.05 0.53 0.00 0.00 -1.31 0.00 0.00 43.02 42.19 3k2i s PHE 193 CO 0.73 -0.54 0.00 0.39 1.83 0.00 0.00 175.22 177.63 3k2i n GLU 194 N 5.06 0.00 -0.29 10.12 1.02 -1.26 -1.42 120.64 133.86 3k2i n GLU 194 Ca -0.14 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.07 3k2i n GLU 194 Cb 0.52 0.00 0.21 0.00 -0.02 0.00 0.00 31.44 32.14 3k2i n GLU 194 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3k2i n ASP 195 N 2.54 2.68 -4.75 1.62 3.85 -1.26 -4.90 116.55 116.34 3k2i n ASP 195 Ca 0.00 -2.12 -0.30 0.00 -0.71 0.00 0.00 54.79 51.66 3k2i n ASP 195 Cb 0.00 -0.36 0.11 0.00 -1.35 0.00 0.00 41.12 39.52 3k2i n ASP 195 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3k2i s LEU 196 N -1.14 2.66 -0.05 -2.12 1.43 -0.51 -4.92 118.68 114.04 3k2i s LEU 196 Ca 0.30 1.64 -0.37 0.00 -1.03 0.00 0.00 54.13 54.67 3k2i s LEU 196 Cb 0.17 -4.21 -0.15 0.00 0.03 0.00 0.00 46.19 42.04 3k2i s LEU 196 CO 0.18 -2.29 1.62 -2.65 0.23 0.00 0.00 176.35 173.44 3k2i n PRO 197 N -3.67 1.54 -0.10 1.29 -0.02 -1.26 -4.48 135.00 128.30 3k2i n PRO 197 Ca 0.08 0.56 0.05 0.00 -2.02 0.00 0.00 63.50 62.18 3k2i n PRO 197 Cb 0.54 -2.28 0.11 0.00 -0.02 0.00 0.00 33.50 31.85 3k2i n PRO 197 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3k2i n ASN 198 N 4.40 -0.01 -2.64 2.55 6.94 -1.26 -1.00 115.26 124.24 3k2i n ASN 198 Ca 0.21 0.50 -0.13 0.00 -0.02 0.00 0.00 54.58 55.14 3k2i n ASN 198 Cb 0.21 -0.19 -0.04 0.00 -2.36 0.00 0.00 39.78 37.39 3k2i n ASN 198 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 3k2i n ASN 199 N -4.09 -0.82 -4.07 0.53 6.94 -1.26 -4.25 115.26 108.24 3k2i n ASN 199 Ca 0.08 -2.58 -0.39 0.00 -0.02 0.00 0.00 54.58 51.67 3k2i n ASN 199 Cb 0.26 1.66 -0.03 0.00 -2.36 0.00 0.00 39.78 39.31 3k2i n ASN 199 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3k2i n MET 200 N -0.47 3.26 -0.05 -3.83 2.81 -1.26 -4.77 117.12 112.81 3k2i n MET 200 Ca 0.03 -4.51 -0.05 0.00 -1.81 0.00 0.00 57.70 51.36 3k2i n MET 200 Cb 0.46 -2.45 -0.08 0.00 -0.71 0.00 0.00 33.22 30.44 3k2i n MET 200 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3k2i n ASP 201 N 2.02 2.44 -3.80 7.83 9.92 -1.26 -4.92 116.55 128.77 3k2i n ASP 201 Ca 0.24 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.37 3k2i n ASP 201 Cb 0.37 0.77 -0.13 0.00 -0.64 0.00 0.00 41.12 41.48 3k2i n ASP 201 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3k2i s ASN 202 N -4.26 -0.13 -0.41 -2.24 0.01 -1.26 -4.73 114.94 101.91 3k2i s ASN 202 Ca -0.05 0.28 -0.14 0.00 -0.71 0.00 0.00 52.86 52.24 3k2i s ASN 202 Cb 0.03 0.25 0.03 0.00 0.41 0.00 0.00 41.25 41.97 3k2i s ASN 202 CO 0.43 -0.08 0.29 -0.63 -1.51 0.00 0.00 177.10 175.60 3k2i s ILE 203 N 0.40 5.04 -0.25 0.60 1.01 -1.19 -5.06 121.20 121.75 3k2i s ILE 203 Ca -0.03 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.75 3k2i s ILE 203 Cb -0.04 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 3k2i s ILE 203 CO -0.02 -0.35 0.02 -0.94 0.00 0.00 0.00 174.94 173.65 3k2i s SER 204 N 1.84 4.75 0.00 3.58 1.04 -1.26 -0.64 113.70 123.00 3k2i s SER 204 Ca 0.04 -0.48 0.13 0.00 0.48 0.00 0.00 55.95 56.12 3k2i s SER 204 Cb -0.20 -1.82 0.59 0.00 0.10 0.00 0.00 66.02 64.69 3k2i s SER 204 CO 0.08 -0.08 1.42 0.18 0.98 0.00 0.00 173.24 175.82 3k2i n LEU 205 N 4.84 0.00 -0.25 2.42 4.77 -0.38 -2.88 117.00 125.52 3k2i n LEU 205 Ca -0.16 0.46 -0.06 0.00 -0.03 0.00 0.00 56.01 56.22 3k2i n LEU 205 Cb 0.50 -0.46 0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3k2i n LEU 205 CO 0.30 -0.25 1.08 -0.33 -1.33 0.00 0.00 177.39 176.86 3k2i h GLU 206 N 0.00 0.98 -0.77 3.23 3.07 -1.94 -0.12 114.58 119.03 3k2i h GLU 206 Ca 0.00 -0.13 0.03 0.00 -0.50 0.00 0.00 59.36 58.76 3k2i h GLU 206 Cb 0.21 -0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 27.89 3k2i h GLU 206 CO 0.00 0.75 0.49 -0.92 -1.40 0.00 0.00 179.01 177.94 3k2i h TYR 207 N 0.96 0.93 0.00 4.33 3.20 -1.95 -2.21 116.97 122.23 3k2i h TYR 207 Ca 0.24 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.02 3k2i h TYR 207 Cb 0.07 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 3k2i h TYR 207 CO -0.00 0.54 -0.58 0.74 -1.64 0.00 0.00 178.16 177.22 3k2i h PHE 208 N 0.97 0.00 -0.74 -3.82 0.04 -1.59 -2.26 116.94 109.55 3k2i h PHE 208 Ca 0.30 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.02 3k2i h PHE 208 Cb -0.01 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 3k2i h PHE 208 CO -0.03 0.58 0.24 1.49 -0.60 0.00 0.00 178.31 179.99 3k2i h GLU 209 N 0.00 1.14 -0.63 1.51 4.81 -0.62 -1.69 114.58 119.09 3k2i h GLU 209 Ca -0.01 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 3k2i h GLU 209 Cb 1.10 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 3k2i h GLU 209 CO 0.08 0.96 0.17 0.93 -0.73 0.00 0.00 179.01 180.42 3k2i h GLU 210 N 1.10 0.98 -0.58 1.92 5.08 -0.83 -0.71 114.58 121.54 3k2i h GLU 210 Ca 0.24 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3k2i h GLU 210 Cb 0.30 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3k2i h GLU 210 CO -0.01 0.86 0.38 0.00 -1.00 0.00 0.00 179.01 179.24 3k2i h ALA 211 N 1.24 0.74 -0.44 3.43 0.00 -1.18 0.40 119.26 123.44 3k2i h ALA 211 Ca 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3k2i h ALA 211 Cb 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3k2i h ALA 211 CO -0.00 0.19 0.22 0.28 0.00 0.00 0.00 179.25 179.94 3k2i h VAL 212 N 0.79 1.18 -0.06 0.00 2.07 -0.94 -1.16 116.25 118.13 3k2i h VAL 212 Ca 0.21 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.27 3k2i h VAL 212 Cb -0.07 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 3k2i h VAL 212 CO -0.04 0.19 -0.22 0.00 0.02 0.00 0.00 177.57 177.52 3k2i h TYR 214 N -0.32 0.54 -0.35 0.00 5.03 0.04 -1.69 116.97 120.21 3k2i h TYR 214 Ca 0.08 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.29 3k2i h TYR 214 Cb 0.43 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.57 3k2i h TYR 214 CO -0.29 0.13 -0.28 0.52 -1.32 0.00 0.00 178.16 176.92 3k2i h MET 215 N 0.50 0.81 0.00 1.82 2.86 -0.57 -2.71 114.93 117.64 3k2i h MET 215 Ca 0.37 -0.40 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3k2i h MET 215 Cb 0.49 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 3k2i h MET 215 CO -0.34 1.04 -0.10 -0.07 1.06 0.00 0.00 176.91 178.50 3k2i h LEU 216 N 0.60 0.00 -0.61 1.22 3.38 -0.54 -2.79 115.31 116.56 3k2i h LEU 216 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3k2i h LEU 216 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3k2i h LEU 216 CO 0.07 0.10 -0.36 0.00 0.09 0.00 0.00 178.44 178.34 3k2i n GLN 217 N -3.33 0.89 -2.42 1.13 6.02 -0.68 -4.85 117.38 114.14 3k2i n GLN 217 Ca -0.01 -0.61 -0.42 0.00 -0.01 0.00 0.00 57.00 55.95 3k2i n GLN 217 Cb 0.30 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.04 3k2i n GLN 217 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3k2i s HIS 218 N -2.53 3.45 0.46 1.08 2.46 -1.04 -4.90 115.29 114.26 3k2i s HIS 218 Ca 0.21 1.33 0.41 0.00 0.47 0.00 0.00 55.06 57.48 3k2i s HIS 218 Cb 0.19 -3.41 2.04 0.00 -0.13 0.00 0.00 32.58 31.27 3k2i s HIS 218 CO 0.56 -1.22 2.23 -1.35 -2.47 0.00 0.00 174.74 172.49 3k2i h PRO 219 N 6.56 0.00 -0.45 2.88 0.11 -1.88 -2.39 132.00 136.83 3k2i h PRO 219 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3k2i h PRO 219 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3k2i h PRO 219 CO 0.80 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.63 3k2i n GLN 220 N -3.10 3.27 -3.80 1.05 6.02 -1.26 -4.79 117.38 114.77 3k2i n GLN 220 Ca -0.02 -2.63 -0.36 0.00 -0.01 0.00 0.00 57.00 53.98 3k2i n GLN 220 Cb 0.16 -1.70 -0.13 0.00 1.02 0.00 0.00 30.24 29.59 3k2i n GLN 220 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3k2i s VAL 221 N -1.87 3.99 0.08 5.09 1.01 -0.90 -0.78 120.40 127.02 3k2i s VAL 221 Ca 0.40 -0.30 -0.33 0.00 0.00 0.00 0.00 61.98 61.76 3k2i s VAL 221 Cb 0.27 -2.86 -0.15 0.00 0.00 0.00 0.00 36.38 33.63 3k2i s VAL 221 CO 0.18 0.35 1.51 0.11 0.00 0.00 0.00 175.10 177.25 3k2i h LYS 222 N 8.20 -0.86 0.00 2.72 1.57 -1.01 -3.45 116.57 123.74 3k2i h LYS 222 Ca -0.39 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3k2i h LYS 222 Cb 1.17 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.67 3k2i h LYS 222 CO 0.59 -0.57 -0.00 0.41 -0.57 0.00 0.00 179.45 179.30 3k2i n GLY 223 N -1.51 -1.55 0.21 3.86 0.00 -1.26 -4.92 105.19 100.03 3k2i n GLY 223 Ca -0.11 -1.22 0.07 0.00 0.00 0.00 0.00 46.02 44.76 3k2i n GLY 223 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k2i h PRO 224 N 0.00 0.00 -5.22 1.61 0.13 -1.95 -3.49 132.00 123.07 3k2i h PRO 224 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 3k2i h PRO 224 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 3k2i h PRO 224 CO 0.00 0.28 -0.53 0.20 -0.23 0.00 0.00 178.00 177.73 3k2i s GLY 225 N -4.28 2.87 0.01 1.56 0.00 -1.26 -4.91 107.32 101.31 3k2i s GLY 225 Ca -0.02 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.93 3k2i s GLY 225 CO 0.67 -2.11 -0.00 -0.42 0.00 0.00 0.00 173.10 171.23 3k2i s ILE 226 N -2.93 4.12 0.31 0.90 -1.09 0.31 -4.70 121.20 118.13 3k2i s ILE 226 Ca 0.13 -0.64 -0.27 0.00 -2.23 0.00 0.00 60.65 57.64 3k2i s ILE 226 Cb 0.03 -2.85 -0.10 0.00 -1.58 0.00 0.00 42.46 37.97 3k2i s ILE 226 CO 0.07 0.36 0.96 -0.83 -1.23 0.00 0.00 174.94 174.27 3k2i s GLY 227 N -1.61 2.88 -0.10 6.18 0.00 -0.37 -1.76 107.32 112.54 3k2i s GLY 227 Ca 0.20 0.57 0.04 0.00 0.00 0.00 0.00 44.72 45.53 3k2i s GLY 227 CO 0.11 1.05 -0.22 1.08 0.00 0.00 0.00 173.10 175.12 3k2i s LEU 228 N -1.88 2.04 -0.11 0.66 1.43 -0.35 -0.41 118.68 120.06 3k2i s LEU 228 Ca 0.48 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 3k2i s LEU 228 Cb -0.21 -1.35 0.02 0.00 0.03 0.00 0.00 46.19 44.68 3k2i s LEU 228 CO 0.27 0.13 -0.09 -0.22 0.23 0.00 0.00 176.35 176.67 3k2i s LEU 229 N 0.47 1.28 0.05 1.79 2.96 0.05 -0.65 118.68 124.63 3k2i s LEU 229 Ca -0.16 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.39 3k2i s LEU 229 Cb -0.17 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.62 3k2i s LEU 229 CO 0.06 -0.10 0.05 -0.83 -1.32 0.00 0.00 176.35 174.22 3k2i s GLY 230 N 1.59 0.29 -0.01 7.98 0.00 -0.96 -1.09 107.32 115.11 3k2i s GLY 230 Ca 0.03 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 43.93 3k2i s GLY 230 CO -0.07 -0.98 -0.11 -1.50 0.00 0.00 0.00 173.10 170.43 3k2i s ILE 231 N -3.36 0.89 0.00 0.90 2.07 -1.07 -0.96 121.20 119.68 3k2i s ILE 231 Ca 0.02 -0.47 0.00 0.00 -1.41 0.00 0.00 60.65 58.78 3k2i s ILE 231 Cb 0.03 -0.75 0.00 0.00 0.13 0.00 0.00 42.46 41.87 3k2i s ILE 231 CO -0.08 0.25 0.00 -0.24 -1.91 0.00 0.00 174.94 172.96 3k2i n SER 232 N 2.86 0.00 -0.35 4.50 2.88 -0.34 -0.96 113.62 122.22 3k2i n SER 232 Ca -0.14 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.53 3k2i n SER 232 Cb 0.56 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 64.35 3k2i n SER 232 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3k2i h LEU 233 N 0.00 0.76 -1.43 2.46 5.85 -1.87 0.13 115.31 121.21 3k2i h LEU 233 Ca 0.00 0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.98 3k2i h LEU 233 Cb 0.00 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3k2i h LEU 233 CO 0.00 0.27 0.56 1.23 -0.34 0.00 0.00 178.44 180.16 3k2i h GLY 234 N 0.74 0.97 1.25 3.75 0.00 -1.03 -0.92 103.07 107.84 3k2i h GLY 234 Ca 0.57 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.57 3k2i h GLY 234 CO -0.37 0.05 -0.12 0.00 0.00 0.00 0.00 176.54 176.10 3k2i h ALA 235 N 1.62 0.90 -0.38 3.60 0.00 -0.60 -0.68 119.26 123.71 3k2i h ALA 235 Ca 0.43 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3k2i h ALA 235 Cb 0.90 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3k2i h ALA 235 CO -0.18 0.63 -0.32 -0.44 0.00 0.00 0.00 179.25 178.94 3k2i h ASP 236 N 0.79 0.88 -0.55 0.00 3.32 -1.11 -0.17 116.42 119.59 3k2i h ASP 236 Ca 0.13 -0.37 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 3k2i h ASP 236 Cb 0.63 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3k2i h ASP 236 CO 0.04 1.13 0.19 0.40 -1.72 0.00 0.00 179.24 179.27 3k2i h ILE 237 N 0.70 1.23 -0.78 0.35 2.04 -1.10 0.93 117.51 120.88 3k2i h ILE 237 Ca 0.07 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 3k2i h ILE 237 Cb 0.88 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3k2i h ILE 237 CO 0.08 0.29 0.29 0.00 0.00 0.00 0.00 178.15 178.80 3k2i h LEU 239 N 1.14 0.78 -0.09 0.00 3.38 -0.62 0.54 115.31 120.44 3k2i h LEU 239 Ca 0.26 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3k2i h LEU 239 Cb 0.25 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3k2i h LEU 239 CO -0.02 1.02 0.02 0.28 0.09 0.00 0.00 178.44 179.84 3k2i h SER 240 N 0.54 0.02 -0.80 -0.43 0.02 -0.53 -1.31 113.55 111.05 3k2i h SER 240 Ca 0.08 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.15 3k2i h SER 240 Cb 0.74 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.21 3k2i h SER 240 CO 0.06 0.02 0.42 0.24 -1.14 0.00 0.00 176.83 176.43 3k2i h MET 241 N 0.06 0.64 -0.22 3.45 2.86 -0.51 0.13 114.93 121.35 3k2i h MET 241 Ca 0.04 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3k2i h MET 241 Cb 0.03 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3k2i h MET 241 CO -0.05 0.42 -0.06 0.00 1.06 0.00 0.00 176.91 178.29 3k2i h ALA 242 N 1.49 1.49 0.11 6.32 0.00 -0.23 -1.02 119.26 127.42 3k2i h ALA 242 Ca 0.41 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.86 3k2i h ALA 242 Cb 0.49 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3k2i h ALA 242 CO -0.30 0.37 -1.18 0.77 0.00 0.00 0.00 179.25 178.90 3k2i h SER 243 N 0.33 0.54 0.00 0.00 0.02 0.08 -3.36 113.55 111.16 3k2i h SER 243 Ca 0.07 -0.53 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 3k2i h SER 243 Cb 0.32 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3k2i h SER 243 CO 0.01 1.38 -1.80 0.49 -1.14 0.00 0.00 176.83 175.77 3k2i n PHE 244 N -3.64 0.00 -4.11 3.45 3.72 -0.22 -4.52 117.46 112.13 3k2i n PHE 244 Ca -0.09 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.06 3k2i n PHE 244 Cb 0.97 -0.44 -0.05 0.00 -0.94 0.00 0.00 39.48 39.02 3k2i n PHE 244 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3k2i s LEU 245 N -4.30 3.74 0.46 4.37 1.43 -0.40 -5.08 118.68 118.90 3k2i s LEU 245 Ca -0.06 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 3k2i s LEU 245 Cb 0.10 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3k2i s LEU 245 CO 0.68 0.04 0.76 -0.54 0.23 0.00 0.00 176.35 177.52 3k2i s LYS 246 N -3.33 3.56 -1.02 1.70 1.02 -1.26 -4.46 119.74 115.95 3k2i s LYS 246 Ca 0.31 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.49 3k2i s LYS 246 Cb -0.09 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 3k2i s LYS 246 CO 0.23 -0.15 0.00 0.09 -0.92 0.00 0.00 175.35 174.60 3k2i n ASN 247 N -2.10 -3.82 -4.54 2.83 3.02 -1.26 -4.98 115.26 104.41 3k2i n ASN 247 Ca 0.00 0.06 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 3k2i n ASN 247 Cb 0.55 -2.88 -0.08 0.00 -0.61 0.00 0.00 39.78 36.76 3k2i n ASN 247 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3k2i s VAL 248 N -2.53 5.06 -0.00 2.41 1.01 -1.26 -0.53 120.40 124.56 3k2i s VAL 248 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.20 3k2i s VAL 248 Cb 0.00 -3.94 -0.25 0.00 0.00 0.00 0.00 36.38 32.19 3k2i s VAL 248 CO 0.00 -0.22 0.82 0.28 0.00 0.00 0.00 175.10 175.98 3k2i h SER 249 N 8.51 0.18 -3.85 3.32 0.02 -1.62 -3.39 113.55 116.71 3k2i h SER 249 Ca -0.28 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.37 3k2i h SER 249 Cb 1.13 -0.06 -0.22 0.00 0.14 0.00 0.00 62.40 63.39 3k2i h SER 249 CO 0.76 1.24 0.17 0.00 -1.14 0.00 0.00 176.83 177.86 3k2i s ALA 250 N -2.62 -1.81 -0.05 3.77 0.00 -1.24 -3.76 121.76 116.05 3k2i s ALA 250 Ca -0.07 2.02 0.04 0.00 0.00 0.00 0.00 51.96 53.95 3k2i s ALA 250 Cb 0.08 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.97 3k2i s ALA 250 CO 0.83 -0.33 -0.15 0.99 0.00 0.00 0.00 175.76 177.10 3k2i s THR 251 N 0.40 1.31 -0.20 0.00 2.01 -0.64 -1.22 115.64 117.31 3k2i s THR 251 Ca 0.00 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 3k2i s THR 251 Cb -0.05 -1.15 0.01 0.00 0.01 0.00 0.00 72.50 71.32 3k2i s THR 251 CO -0.01 0.39 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.48 3k2i s VAL 252 N 0.21 2.59 -0.21 3.82 1.01 0.17 -0.86 120.40 127.13 3k2i s VAL 252 Ca -0.07 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 3k2i s VAL 252 Cb -0.12 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 3k2i s VAL 252 CO 0.03 0.48 -0.01 -0.55 0.00 0.00 0.00 175.10 175.05 3k2i s SER 253 N 1.36 4.71 -0.33 3.32 0.15 -0.07 -2.25 113.70 120.59 3k2i s SER 253 Ca 0.05 -0.25 -0.10 0.00 0.70 0.00 0.00 55.95 56.36 3k2i s SER 253 Cb -0.14 -1.81 0.01 0.00 -1.71 0.00 0.00 66.02 62.38 3k2i s SER 253 CO -0.09 0.04 0.16 -0.63 1.20 0.00 0.00 173.24 173.92 3k2i s ILE 254 N 1.14 4.48 -1.50 6.45 1.01 -0.13 -0.41 121.20 132.24 3k2i s ILE 254 Ca 0.03 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 3k2i s ILE 254 Cb -0.14 -3.38 0.06 0.00 0.01 0.00 0.00 42.46 39.00 3k2i s ILE 254 CO 0.01 -0.06 0.67 0.59 0.00 0.00 0.00 174.94 176.15 3k2i n ASN 255 N 4.97 -2.17 -4.86 3.58 3.02 -0.17 -1.19 115.26 118.44 3k2i n ASN 255 Ca -0.13 -0.94 -0.29 0.00 -0.03 0.00 0.00 54.58 53.19 3k2i n ASN 255 Cb 0.48 -3.26 0.09 0.00 -0.61 0.00 0.00 39.78 36.48 3k2i n ASN 255 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3k2i s GLY 256 N -3.85 1.60 -0.08 7.41 0.00 -1.26 -3.44 107.32 107.69 3k2i s GLY 256 Ca 0.34 -0.68 0.10 0.00 0.00 0.00 0.00 44.72 44.49 3k2i s GLY 256 CO 0.88 -0.18 0.09 -1.14 0.00 0.00 0.00 173.10 172.75 3k2i n SER 257 N -3.34 2.37 -0.88 1.64 3.41 -1.26 -4.70 113.62 110.85 3k2i n SER 257 Ca 0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.59 3k2i n SER 257 Cb 0.61 0.94 -0.04 0.00 -0.26 0.00 0.00 64.21 65.46 3k2i n SER 257 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k2i n GLY 258 N 2.23 0.89 2.87 5.00 0.00 -1.26 -4.76 105.19 110.16 3k2i n GLY 258 Ca -0.14 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 3k2i n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k2i s ILE 259 N -2.41 0.03 -0.28 -0.61 -1.09 -1.26 -1.76 121.20 113.82 3k2i s ILE 259 Ca 0.00 -0.01 -0.29 0.00 -2.23 0.00 0.00 60.65 58.12 3k2i s ILE 259 Cb 0.00 -0.04 -0.01 0.00 -1.58 0.00 0.00 42.46 40.83 3k2i s ILE 259 CO 0.00 0.01 1.51 -0.55 -1.23 0.00 0.00 174.94 174.69 3k2i s SER 260 N 0.05 6.42 0.00 3.58 0.15 0.11 -4.92 113.70 119.09 3k2i s SER 260 Ca -0.00 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.02 3k2i s SER 260 Cb -0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 3k2i s SER 260 CO -0.00 -1.26 0.00 0.61 1.20 0.00 0.00 173.24 173.79 3k2i n GLY 261 N 4.67 -0.33 0.11 9.45 0.00 -1.26 -0.54 105.19 117.29 3k2i n GLY 261 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3k2i n GLY 261 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k2i n ASN 262 N -1.57 1.21 -4.15 1.61 5.03 -1.26 -0.87 115.26 115.25 3k2i n ASN 262 Ca 0.00 0.24 -0.24 0.00 0.87 0.00 0.00 54.58 55.45 3k2i n ASN 262 Cb 0.00 -0.17 -0.15 0.00 -1.02 0.00 0.00 39.78 38.44 3k2i n ASN 262 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3k2i s THR 263 N -2.56 1.28 0.52 3.41 -4.23 -1.26 -4.90 115.64 107.89 3k2i s THR 263 Ca -0.13 -0.71 -0.21 0.00 -1.18 0.00 0.00 61.69 59.46 3k2i s THR 263 Cb 0.07 -1.07 -0.07 0.00 1.34 0.00 0.00 72.50 72.77 3k2i s THR 263 CO 0.79 0.35 1.03 0.00 -0.54 0.00 0.00 174.62 176.24 3k2i n ALA 264 N 2.65 0.36 -3.07 3.99 0.00 -1.26 -4.64 120.51 118.54 3k2i n ALA 264 Ca -0.15 0.12 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 3k2i n ALA 264 Cb 0.54 -2.13 -0.12 0.00 0.00 0.00 0.00 19.45 17.75 3k2i n ALA 264 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k2i s ILE 265 N -1.39 4.21 0.00 0.00 1.01 -0.88 -3.15 121.20 121.01 3k2i s ILE 265 Ca 0.69 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.86 3k2i s ILE 265 Cb -0.47 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 3k2i s ILE 265 CO 0.52 0.12 -0.11 0.20 0.00 0.00 0.00 174.94 175.68 3k2i s ASN 266 N 1.55 4.33 -0.22 3.58 0.01 0.18 -0.74 114.94 123.64 3k2i s ASN 266 Ca 0.04 -0.22 -0.06 0.00 -0.71 0.00 0.00 52.86 51.91 3k2i s ASN 266 Cb -0.17 -0.93 0.10 0.00 0.41 0.00 0.00 41.25 40.67 3k2i s ASN 266 CO 0.04 0.29 0.43 -0.47 -1.51 0.00 0.00 177.10 175.88 3k2i s TYR 267 N -0.93 -0.86 0.00 2.20 5.04 -0.33 -1.25 117.35 121.21 3k2i s TYR 267 Ca 0.15 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.24 3k2i s TYR 267 Cb -0.11 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.49 3k2i s TYR 267 CO 0.06 -0.55 0.00 1.63 -1.34 0.00 0.00 175.55 175.35 3k2i n LYS 268 N 5.39 0.00 -0.18 4.97 5.02 -1.26 -1.00 118.16 131.09 3k2i n LYS 268 Ca -0.08 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.27 3k2i n LYS 268 Cb 0.50 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.65 3k2i n LYS 268 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3k2i n HIS 269 N 2.41 0.43 -3.19 2.13 8.25 -1.26 -4.93 115.22 119.06 3k2i n HIS 269 Ca 0.00 -0.60 -0.39 0.00 -0.26 0.00 0.00 57.72 56.47 3k2i n HIS 269 Cb 0.00 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 30.96 3k2i n HIS 269 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3k2i s SER 270 N -1.30 7.10 -0.00 0.41 0.01 -0.17 -5.09 113.70 114.65 3k2i s SER 270 Ca 0.23 1.30 -0.00 0.00 1.31 0.00 0.00 55.95 58.79 3k2i s SER 270 Cb 0.15 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.99 3k2i s SER 270 CO 0.10 0.20 0.01 -0.94 0.41 0.00 0.00 173.24 173.02 3k2i s SER 271 N -0.78 0.00 -0.30 2.44 1.04 -1.26 -1.19 113.70 113.65 3k2i s SER 271 Ca 0.31 0.01 -0.15 0.00 0.48 0.00 0.00 55.95 56.60 3k2i s SER 271 Cb -0.20 -0.00 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 3k2i s SER 271 CO 0.20 -0.01 0.39 -0.63 0.98 0.00 0.00 173.24 174.17 3k2i s ILE 272 N 0.11 5.15 0.50 -1.02 -1.09 0.08 -4.93 121.20 119.99 3k2i s ILE 272 Ca -0.01 0.38 -0.21 0.00 -2.23 0.00 0.00 60.65 58.57 3k2i s ILE 272 Cb -0.01 -3.78 -0.07 0.00 -1.58 0.00 0.00 42.46 37.02 3k2i s ILE 272 CO -0.00 0.02 1.16 -2.16 -1.23 0.00 0.00 174.94 172.73 3k2i s PRO 273 N 2.11 3.57 0.32 2.79 0.04 -1.26 -2.06 135.00 140.50 3k2i s PRO 273 Ca 0.15 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 3k2i s PRO 273 Cb -0.16 -2.24 -0.10 0.00 0.04 0.00 0.00 34.50 32.04 3k2i s PRO 273 CO 0.11 -0.70 1.28 -2.14 0.04 0.00 0.00 177.00 175.59 3k2i s PRO 274 N -2.94 4.40 0.06 0.56 0.02 -1.26 -4.37 135.00 131.46 3k2i s PRO 274 Ca 0.68 2.16 -0.16 0.00 0.02 0.00 0.00 61.00 63.69 3k2i s PRO 274 Cb -0.27 -3.09 -0.20 0.00 0.02 0.00 0.00 34.50 30.96 3k2i s PRO 274 CO 0.32 -0.13 1.21 1.25 -0.33 0.00 0.00 177.00 179.32 3k2i h LEU 275 N 3.46 0.75 0.00 -5.54 5.85 -0.59 -3.48 115.31 115.76 3k2i h LEU 275 Ca -0.49 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 57.55 3k2i h LEU 275 Cb 1.22 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3k2i h LEU 275 CO 0.66 1.33 0.00 0.61 -0.34 0.00 0.00 178.44 180.69 3k2i n GLY 276 N 0.87 1.01 3.33 3.75 0.00 -0.05 -4.69 105.19 109.41 3k2i n GLY 276 Ca -0.09 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 3k2i n GLY 276 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3k2i s TYR 277 N -1.65 0.85 -0.21 1.61 -0.85 -1.26 -2.03 117.35 113.81 3k2i s TYR 277 Ca 0.00 -1.13 -0.04 0.00 -0.52 0.00 0.00 57.07 55.39 3k2i s TYR 277 Cb 0.00 -0.28 0.10 0.00 0.38 0.00 0.00 41.96 42.16 3k2i s TYR 277 CO 0.00 -0.76 0.26 0.34 -1.52 0.00 0.00 175.55 173.87 3k2i s ASP 278 N -3.10 1.09 0.00 -0.18 3.68 0.10 -4.84 116.67 113.42 3k2i s ASP 278 Ca 0.32 -0.09 0.12 0.00 2.13 0.00 0.00 52.55 55.03 3k2i s ASP 278 Cb 0.04 0.55 0.56 0.00 -1.45 0.00 0.00 42.92 42.63 3k2i s ASP 278 CO 0.10 -0.32 1.35 0.18 0.13 0.00 0.00 175.17 176.62 3k2i n LEU 279 N 5.33 0.00 0.03 -1.34 4.77 -1.26 -2.04 117.00 122.49 3k2i n LEU 279 Ca -0.05 0.41 0.07 0.00 -0.03 0.00 0.00 56.01 56.41 3k2i n LEU 279 Cb 0.50 -0.41 0.31 0.00 -2.33 0.00 0.00 43.42 41.49 3k2i n LEU 279 CO 0.07 -0.24 0.72 0.54 -1.33 0.00 0.00 177.39 177.16 3k2i n ARG 280 N -1.41 0.04 -0.06 3.23 1.74 -1.26 -2.13 116.66 116.81 3k2i n ARG 280 Ca 0.04 0.33 0.12 0.00 -0.77 0.00 0.00 57.85 57.58 3k2i n ARG 280 Cb 0.12 -1.59 0.33 0.00 -1.02 0.00 0.00 32.46 30.31 3k2i n ARG 280 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3k2i n ARG 281 N -1.67 1.98 -1.69 5.56 1.74 -0.87 -4.90 116.66 116.81 3k2i n ARG 281 Ca 0.03 -1.45 -0.43 0.00 -0.77 0.00 0.00 57.85 55.23 3k2i n ARG 281 Cb 0.15 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.12 3k2i n ARG 281 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3k2i n ILE 282 N 0.71 1.56 -4.85 0.55 5.41 -0.91 -4.53 119.36 117.31 3k2i n ILE 282 Ca 0.17 -0.39 -0.30 0.00 1.00 0.00 0.00 62.75 63.23 3k2i n ILE 282 Cb 0.44 -1.57 -0.15 0.00 -0.71 0.00 0.00 39.64 37.66 3k2i n ILE 282 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 3k2i s LYS 283 N -1.27 1.74 -0.26 0.38 -2.85 -0.89 -5.02 119.74 111.58 3k2i s LYS 283 Ca 0.60 -1.12 -0.08 0.00 -1.00 0.00 0.00 55.97 54.37 3k2i s LYS 283 Cb -0.59 -1.94 -0.03 0.00 -2.06 0.00 0.00 37.83 33.21 3k2i s LYS 283 CO 0.57 0.50 0.10 0.08 0.10 0.00 0.00 175.35 176.70 3k2i s VAL 284 N -0.83 4.57 0.80 1.79 1.01 -1.26 -0.89 120.40 125.60 3k2i s VAL 284 Ca 0.12 -0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 3k2i s VAL 284 Cb -0.10 -3.15 0.07 0.00 0.00 0.00 0.00 36.38 33.21 3k2i s VAL 284 CO 0.02 0.32 1.11 0.00 0.00 0.00 0.00 175.10 176.55 3k2i s ALA 285 N 1.64 2.27 0.38 5.51 0.00 -0.78 -4.87 121.76 125.91 3k2i s ALA 285 Ca 0.06 -0.29 0.18 0.00 0.00 0.00 0.00 51.96 51.91 3k2i s ALA 285 Cb -0.15 -3.08 1.09 0.00 0.00 0.00 0.00 23.12 20.98 3k2i s ALA 285 CO 0.05 -1.74 1.74 0.74 0.00 0.00 0.00 175.76 176.56 3k2i h PHE 286 N -1.10 0.73 0.00 0.00 0.05 -1.99 0.52 116.94 115.16 3k2i h PHE 286 Ca -0.47 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.34 3k2i h PHE 286 Cb 1.28 -0.21 0.00 0.00 2.00 0.00 0.00 35.95 39.02 3k2i h PHE 286 CO 0.44 0.02 0.00 -1.13 -0.18 0.00 0.00 178.31 177.46 3k2i n SER 287 N -4.71 0.62 0.00 2.17 3.41 -1.26 -4.86 113.62 108.99 3k2i n SER 287 Ca 0.27 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 3k2i n SER 287 Cb 0.91 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3k2i n SER 287 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k2i n GLY 288 N -0.42 1.21 3.86 5.00 0.00 0.18 -5.05 105.19 109.98 3k2i n GLY 288 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3k2i n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k2i s LEU 289 N 0.00 3.57 -0.09 0.99 1.43 -1.26 -4.80 118.68 118.52 3k2i s LEU 289 Ca 0.00 1.38 -0.13 0.00 -1.03 0.00 0.00 54.13 54.35 3k2i s LEU 289 Cb 0.00 -4.34 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 3k2i s LEU 289 CO 0.00 -0.62 0.32 -0.69 0.23 0.00 0.00 176.35 175.59 3k2i s VAL 290 N -2.72 5.23 -0.26 -1.59 1.01 -0.74 -1.86 120.40 119.47 3k2i s VAL 290 Ca 0.55 0.62 -0.03 0.00 0.00 0.00 0.00 61.98 63.12 3k2i s VAL 290 Cb -0.10 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.66 3k2i s VAL 290 CO 0.38 0.50 -0.02 -0.62 0.00 0.00 0.00 175.10 175.35 3k2i s ASP 291 N -0.40 4.54 -0.16 3.32 -1.08 -0.07 -1.55 116.67 121.28 3k2i s ASP 291 Ca 0.20 -0.75 0.16 0.00 -0.52 0.00 0.00 52.55 51.63 3k2i s ASP 291 Cb -0.14 -1.74 0.58 0.00 -1.46 0.00 0.00 42.92 40.16 3k2i s ASP 291 CO 0.08 -0.13 1.49 2.30 0.52 0.00 0.00 175.17 179.43 3k2i n ILE 292 N 4.74 2.15 0.26 4.11 -5.35 -1.26 -2.10 119.36 121.91 3k2i n ILE 292 Ca -0.16 -1.58 0.15 0.00 -0.27 0.00 0.00 62.75 60.89 3k2i n ILE 292 Cb 0.48 -0.10 0.62 0.00 -1.74 0.00 0.00 39.64 38.89 3k2i n ILE 292 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 3k2i h VAL 293 N 2.56 0.21 -0.52 7.28 3.04 -1.72 -2.83 116.25 124.28 3k2i h VAL 293 Ca 0.00 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 3k2i h VAL 293 Cb 1.46 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 32.31 3k2i h VAL 293 CO 0.25 0.08 0.00 -0.67 -1.01 0.00 0.00 177.57 176.21 3k2i n ASP 294 N -3.22 3.50 0.19 3.17 4.64 -1.26 -4.53 116.55 119.03 3k2i n ASP 294 Ca 0.00 -2.07 0.06 0.00 -1.38 0.00 0.00 54.79 51.40 3k2i n ASP 294 Cb 0.34 -0.37 0.29 0.00 -1.04 0.00 0.00 41.12 40.34 3k2i n ASP 294 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 3k2i h ILE 295 N 3.05 0.77 -4.07 5.18 3.07 -1.73 -3.46 117.51 120.32 3k2i h ILE 295 Ca 0.00 -1.58 -0.50 0.00 1.55 0.00 0.00 64.86 64.33 3k2i h ILE 295 Cb 0.91 2.01 0.06 0.00 -0.27 0.00 0.00 36.82 39.54 3k2i h ILE 295 CO 0.03 0.35 0.44 -0.13 -1.05 0.00 0.00 178.15 177.78 3k2i s ARG 296 N -3.45 3.50 0.77 0.16 0.52 -1.26 0.02 118.95 119.22 3k2i s ARG 296 Ca 0.01 1.61 -0.12 0.00 -0.52 0.00 0.00 55.73 56.72 3k2i s ARG 296 Cb 0.10 -2.11 0.06 0.00 0.52 0.00 0.00 34.95 33.52 3k2i s ARG 296 CO 0.69 -0.73 1.12 -0.80 0.02 0.00 0.00 175.30 175.60 3k2i s ASN 297 N -1.71 4.31 0.45 0.23 0.01 -0.86 -4.83 114.94 112.54 3k2i s ASN 297 Ca 0.70 1.98 -0.23 0.00 -0.71 0.00 0.00 52.86 54.60 3k2i s ASN 297 Cb -0.24 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 38.80 3k2i s ASN 297 CO 0.28 -2.17 1.19 0.00 -1.51 0.00 0.00 177.10 174.89 3k2i s ALA 298 N -2.64 3.01 -1.31 0.60 0.00 -1.26 -4.89 121.76 115.27 3k2i s ALA 298 Ca 0.65 0.99 -0.07 0.00 0.00 0.00 0.00 51.96 53.53 3k2i s ALA 298 Cb -0.20 -3.40 0.14 0.00 0.00 0.00 0.00 23.12 19.65 3k2i s ALA 298 CO 0.52 -0.70 2.19 -0.11 0.00 0.00 0.00 175.76 177.66 3k2i n LEU 299 N -0.40 7.53 -4.75 0.00 7.94 -1.26 -4.98 117.00 121.09 3k2i n LEU 299 Ca 0.07 -4.80 -0.42 0.00 -1.11 0.00 0.00 56.01 49.75 3k2i n LEU 299 Cb 0.47 -1.41 -0.01 0.00 0.53 0.00 0.00 43.42 43.00 3k2i n LEU 299 CO 0.49 1.81 1.21 1.33 -1.11 0.00 0.00 177.39 181.12 3k2i n VAL 300 N 2.34 1.25 -0.40 1.96 0.24 -1.26 -1.03 118.33 121.42 3k2i n VAL 300 Ca 0.54 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 3k2i n VAL 300 Cb 0.29 -1.95 0.00 0.00 -1.47 0.00 0.00 33.84 30.71 3k2i n VAL 300 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k2i n GLY 301 N 1.77 1.89 7.00 7.63 0.00 -1.26 -4.14 105.19 118.08 3k2i n GLY 301 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3k2i n GLY 301 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2i n GLY 302 N -2.00 3.55 0.08 -0.02 0.00 -0.20 -2.17 105.19 104.43 3k2i n GLY 302 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.14 3k2i n GLY 302 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3k2i n TYR 303 N 14.00 0.45 0.97 1.61 4.11 -1.26 -1.40 117.16 135.65 3k2i n TYR 303 Ca 0.00 0.20 0.13 0.00 -0.00 0.00 0.00 57.90 58.23 3k2i n TYR 303 Cb 0.00 -0.82 0.48 0.00 -0.00 0.00 0.00 39.34 39.00 3k2i n TYR 303 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3k2i n LYS 304 N -1.93 0.02 -1.58 -3.48 5.02 -0.92 -4.87 118.16 110.42 3k2i n LYS 304 Ca 0.01 0.01 -0.45 0.00 -2.02 0.00 0.00 58.31 55.86 3k2i n LYS 304 Cb 0.13 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.61 3k2i n LYS 304 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3k2i n ASN 305 N -1.54 1.12 0.30 4.39 2.85 -0.49 -4.84 115.26 117.04 3k2i n ASN 305 Ca 0.06 1.18 0.20 0.00 -0.11 0.00 0.00 54.58 55.91 3k2i n ASN 305 Cb 0.34 -1.26 0.95 0.00 1.24 0.00 0.00 39.78 41.05 3k2i n ASN 305 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3k2i h PRO 306 N 1.93 0.00 -0.07 1.20 0.11 -1.90 -2.77 132.00 130.51 3k2i h PRO 306 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3k2i h PRO 306 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3k2i h PRO 306 CO 0.60 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.82 3k2i n SER 307 N -3.04 0.62 -4.75 -2.05 7.64 -1.26 -4.47 113.62 106.31 3k2i n SER 307 Ca -0.01 -1.58 -0.40 0.00 1.01 0.00 0.00 58.87 57.89 3k2i n SER 307 Cb 0.18 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.29 3k2i n SER 307 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3k2i s MET 308 N -1.91 4.67 -0.05 1.43 0.00 -1.05 -0.71 119.30 121.68 3k2i s MET 308 Ca 0.27 1.72 -0.30 0.00 0.00 0.00 0.00 55.69 57.39 3k2i s MET 308 Cb 0.13 -3.23 -0.03 0.00 0.00 0.00 0.00 34.83 31.71 3k2i s MET 308 CO 0.21 0.23 1.12 0.42 0.00 0.00 0.00 175.02 177.01 3k2i s ILE 309 N -0.92 4.45 -1.39 10.11 1.01 -0.72 -4.87 121.20 128.87 3k2i s ILE 309 Ca 0.45 1.75 -0.12 0.00 0.00 0.00 0.00 60.65 62.73 3k2i s ILE 309 Cb -0.30 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 3k2i s ILE 309 CO 0.38 0.03 2.50 -0.81 0.00 0.00 0.00 174.94 177.04 3k2i n PRO 310 N 4.86 2.97 0.19 2.79 -0.04 -1.26 -4.68 135.00 139.83 3k2i n PRO 310 Ca 0.10 -2.19 0.14 0.00 -0.04 0.00 0.00 63.50 61.50 3k2i n PRO 310 Cb 0.47 -2.92 0.65 0.00 -0.04 0.00 0.00 33.50 31.66 3k2i n PRO 310 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3k2i h ILE 311 N 3.54 0.00 0.00 0.52 6.09 -1.90 -1.76 117.51 123.99 3k2i h ILE 311 Ca 0.68 -0.15 -0.00 0.00 -1.37 0.00 0.00 64.86 64.01 3k2i h ILE 311 Cb 0.42 0.86 -0.00 0.00 0.47 0.00 0.00 36.82 38.57 3k2i h ILE 311 CO 1.79 0.00 -0.01 1.05 -3.07 0.00 0.00 178.15 177.91 3k2i h GLU 312 N 0.00 0.00 0.00 2.19 9.09 -1.90 -1.89 114.58 122.07 3k2i h GLU 312 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3k2i h GLU 312 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.30 3k2i h GLU 312 CO 0.00 0.01 0.00 1.63 0.05 0.00 0.00 179.01 180.70 3k2i n LYS 313 N -3.19 0.13 -2.23 1.06 5.02 -0.66 -4.84 118.16 113.45 3k2i n LYS 313 Ca -0.02 0.24 -0.40 0.00 -2.02 0.00 0.00 58.31 56.10 3k2i n LYS 313 Cb 0.11 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.40 3k2i n LYS 313 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k2i s ALA 314 N -3.12 3.43 -0.07 7.82 0.00 -0.71 -4.83 121.76 124.28 3k2i s ALA 314 Ca 0.09 1.14 0.14 0.00 0.00 0.00 0.00 51.96 53.32 3k2i s ALA 314 Cb 0.12 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 3k2i s ALA 314 CO 0.45 -0.51 1.09 1.96 0.00 0.00 0.00 175.76 178.75 3k2i h GLN 315 N 3.40 0.00 -5.35 0.00 4.20 -1.84 -3.48 115.11 112.03 3k2i h GLN 315 Ca -0.48 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 57.57 3k2i h GLN 315 Cb 1.22 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.88 3k2i h GLN 315 CO 0.65 0.53 -0.50 0.20 -0.67 0.00 0.00 178.83 179.04 3k2i s GLY 316 N -4.72 2.88 0.69 3.46 0.00 -1.26 -5.11 107.32 103.26 3k2i s GLY 316 Ca -0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 44.72 43.81 3k2i s GLY 316 CO 0.79 -2.15 1.14 -4.14 0.00 0.00 0.00 173.10 168.74 3k2i s PRO 317 N -3.90 2.54 -0.04 2.90 0.02 -1.25 -4.86 135.00 130.41 3k2i s PRO 317 Ca 0.13 1.49 0.01 0.00 0.02 0.00 0.00 61.00 62.66 3k2i s PRO 317 Cb 0.02 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.65 3k2i s PRO 317 CO 0.07 -1.47 -0.06 0.42 -0.33 0.00 0.00 177.00 175.63 3k2i s ILE 318 N -2.27 0.63 -0.14 2.83 1.01 -1.26 -1.61 121.20 120.39 3k2i s ILE 318 Ca 0.69 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 61.15 3k2i s ILE 318 Cb -0.23 -0.62 0.01 0.00 0.01 0.00 0.00 42.46 41.63 3k2i s ILE 318 CO 0.43 0.23 -0.20 -0.22 0.00 0.00 0.00 174.94 175.19 3k2i s LEU 319 N 0.70 2.23 -0.25 2.97 2.96 -0.04 -3.32 118.68 123.91 3k2i s LEU 319 Ca -0.10 -0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 53.21 3k2i s LEU 319 Cb -0.13 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.09 3k2i s LEU 319 CO 0.01 0.09 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.34 3k2i s LEU 320 N 0.79 3.26 -0.10 -0.68 1.43 0.15 -0.89 118.68 122.64 3k2i s LEU 320 Ca -0.07 -0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 52.30 3k2i s LEU 320 Cb -0.16 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3k2i s LEU 320 CO -0.01 -0.11 0.01 -0.63 0.23 0.00 0.00 176.35 175.84 3k2i s ILE 321 N 1.41 4.39 -0.02 -0.59 1.01 0.45 -0.65 121.20 127.19 3k2i s ILE 321 Ca 0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 3k2i s ILE 321 Cb -0.16 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.47 3k2i s ILE 321 CO -0.03 0.58 0.04 -0.69 0.00 0.00 0.00 174.94 174.85 3k2i s VAL 322 N -0.66 -0.05 -0.29 2.92 1.01 0.18 -0.99 120.40 122.51 3k2i s VAL 322 Ca 0.11 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 3k2i s VAL 322 Cb -0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 3k2i s VAL 322 CO 0.02 0.08 0.19 -0.83 0.00 0.00 0.00 175.10 174.56 3k2i s GLY 323 N 0.94 1.93 0.33 4.51 0.00 -1.26 -0.98 107.32 112.78 3k2i s GLY 323 Ca -0.08 -1.16 0.26 0.00 0.00 0.00 0.00 44.72 43.74 3k2i s GLY 323 CO -0.03 0.67 1.77 1.46 0.00 0.00 0.00 173.10 176.97 3k2i h GLN 324 N 8.39 0.00 -0.44 2.90 4.20 -0.76 -1.97 115.11 127.42 3k2i h GLN 324 Ca -0.34 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.35 3k2i h GLN 324 Cb 1.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 3k2i h GLN 324 CO 0.57 0.00 0.02 -3.47 -0.67 0.00 0.00 178.83 175.28 3k2i n ASP 325 N -2.41 4.83 -4.68 1.46 2.03 0.43 -4.92 116.55 113.28 3k2i n ASP 325 Ca 0.01 -3.01 -0.43 0.00 0.52 0.00 0.00 54.79 51.88 3k2i n ASP 325 Cb 0.22 -0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 39.96 3k2i n ASP 325 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3k2i n ASP 326 N 0.04 3.97 -0.62 1.67 4.64 -0.74 -4.01 116.55 121.50 3k2i n ASP 326 Ca 0.26 0.98 0.08 0.00 -1.38 0.00 0.00 54.79 54.73 3k2i n ASP 326 Cb 1.08 -1.52 0.06 0.00 -1.04 0.00 0.00 41.12 39.70 3k2i n ASP 326 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 3k2i n HIS 327 N 5.86 0.00 -0.00 -0.67 8.25 -1.06 -4.38 115.22 123.22 3k2i n HIS 327 Ca 0.19 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.52 3k2i n HIS 327 Cb 0.37 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.38 3k2i n HIS 327 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 3k2i h ASN 328 N 3.04 -0.05 -5.00 0.41 -1.24 -1.76 -3.16 115.58 107.82 3k2i h ASN 328 Ca 0.00 -0.53 0.00 0.00 0.71 0.00 0.00 56.30 56.48 3k2i h ASN 328 Cb 0.65 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 3k2i h ASN 328 CO 0.00 0.53 0.26 -1.66 -1.29 0.00 0.00 177.43 175.27 3k2i s TRP 329 N -3.78 0.05 -1.24 0.67 -2.14 -1.26 -4.25 118.94 106.99 3k2i s TRP 329 Ca -0.16 -0.67 -0.09 0.00 2.66 0.00 0.00 56.10 57.84 3k2i s TRP 329 Cb 0.01 0.81 0.19 0.00 -3.10 0.00 0.00 33.47 31.38 3k2i s TRP 329 CO 0.63 -1.50 1.76 0.54 -2.66 0.00 0.00 176.95 175.73 3k2i n ARG 330 N -0.51 3.74 -0.13 3.25 1.74 -1.26 -4.70 116.66 118.79 3k2i n ARG 330 Ca -0.07 -3.74 0.01 0.00 -0.77 0.00 0.00 57.85 53.27 3k2i n ARG 330 Cb 0.60 -2.86 0.29 0.00 -1.02 0.00 0.00 32.46 29.47 3k2i n ARG 330 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3k2i h SER 331 N 5.83 0.71 -0.55 0.55 0.02 -1.86 -1.51 113.55 116.74 3k2i h SER 331 Ca 0.35 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 61.15 3k2i h SER 331 Cb 0.65 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3k2i h SER 331 CO 1.53 0.56 -0.09 -0.08 -1.14 0.00 0.00 176.83 177.61 3k2i h GLU 332 N 0.82 1.03 -0.47 3.45 4.81 -1.87 -0.85 114.58 121.50 3k2i h GLU 332 Ca 0.21 -0.38 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 3k2i h GLU 332 Cb -0.01 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3k2i h GLU 332 CO -0.04 1.07 0.19 1.25 -0.73 0.00 0.00 179.01 180.74 3k2i h LEU 333 N 0.92 0.66 -0.59 1.64 7.12 -1.71 -2.49 115.31 120.85 3k2i h LEU 333 Ca 0.15 -0.17 -0.06 0.00 0.13 0.00 0.00 57.88 57.93 3k2i h LEU 333 Cb 0.66 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.59 3k2i h LEU 333 CO 0.05 0.65 0.15 1.88 -0.13 0.00 0.00 178.44 181.04 3k2i h TYR 334 N 0.62 0.98 -0.55 1.25 0.05 -1.31 -2.15 116.97 115.87 3k2i h TYR 334 Ca 0.16 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3k2i h TYR 334 Cb 0.20 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 3k2i h TYR 334 CO 0.00 0.83 0.35 0.00 -1.05 0.00 0.00 178.16 178.30 3k2i h ALA 335 N 1.04 0.70 -0.63 3.88 0.00 -1.03 1.00 119.26 124.22 3k2i h ALA 335 Ca 0.19 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3k2i h ALA 335 Cb 0.34 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3k2i h ALA 335 CO 0.00 0.16 0.12 1.96 0.00 0.00 0.00 179.25 181.48 3k2i h GLN 336 N 0.74 1.01 0.30 0.00 1.08 -1.26 -0.77 115.11 116.22 3k2i h GLN 336 Ca 0.20 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3k2i h GLN 336 Cb -0.06 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.24 3k2i h GLN 336 CO -0.04 0.92 -0.15 1.15 -0.95 0.00 0.00 178.83 179.76 3k2i h THR 337 N 0.95 0.70 -0.79 -0.54 2.02 -0.99 0.61 112.91 114.87 3k2i h THR 337 Ca 0.20 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.54 3k2i h THR 337 Cb 0.39 0.70 -0.11 0.00 -1.74 0.00 0.00 68.15 67.40 3k2i h THR 337 CO 0.01 0.00 0.30 0.58 0.37 0.00 0.00 175.52 176.78 3k2i h VAL 338 N -0.41 0.59 -0.58 3.16 2.07 -0.50 0.80 116.25 121.38 3k2i h VAL 338 Ca -0.04 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3k2i h VAL 338 Cb 0.32 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3k2i h VAL 338 CO 0.07 0.07 0.27 -1.28 0.02 0.00 0.00 177.57 176.72 3k2i h SER 339 N 0.41 0.76 -0.52 0.57 0.87 -0.65 -1.98 113.55 113.00 3k2i h SER 339 Ca 0.45 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 3k2i h SER 339 Cb 0.75 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 3k2i h SER 339 CO -0.46 0.68 0.28 -0.33 -0.53 0.00 0.00 176.83 176.47 3k2i h GLU 340 N 0.78 0.73 -0.51 2.24 5.08 0.74 -1.81 114.58 121.84 3k2i h GLU 340 Ca 0.20 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 3k2i h GLU 340 Cb 0.12 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 3k2i h GLU 340 CO -0.02 0.57 0.21 -0.09 -1.00 0.00 0.00 179.01 178.68 3k2i h ARG 341 N 0.70 0.39 -0.48 2.33 2.43 -0.47 -1.27 114.38 118.01 3k2i h ARG 341 Ca 0.18 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3k2i h ARG 341 Cb 0.06 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3k2i h ARG 341 CO -0.03 0.26 0.25 -0.07 -1.51 0.00 0.00 179.97 178.87 3k2i h LEU 342 N 0.40 0.61 -0.63 3.80 3.38 -1.15 -2.75 115.31 118.97 3k2i h LEU 342 Ca 0.24 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 3k2i h LEU 342 Cb 0.22 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3k2i h LEU 342 CO -0.22 0.54 -0.03 1.56 0.09 0.00 0.00 178.44 180.38 3k2i h GLN 343 N 0.63 1.05 0.00 1.13 4.20 -1.06 0.21 115.11 121.27 3k2i h GLN 343 Ca 0.17 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 3k2i h GLN 343 Cb 0.08 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 3k2i h GLN 343 CO -0.02 1.04 -0.07 0.00 -0.67 0.00 0.00 178.83 179.10 3k2i h ALA 344 N 1.00 1.65 -0.65 3.87 0.00 -1.07 -1.88 119.26 122.17 3k2i h ALA 344 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3k2i h ALA 344 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3k2i h ALA 344 CO 0.04 0.09 0.00 0.72 0.00 0.00 0.00 179.25 180.09 3k2i n HIS 345 N -4.11 1.39 -0.99 0.00 8.25 -0.95 -4.93 115.22 113.88 3k2i n HIS 345 Ca -0.03 -0.60 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 3k2i n HIS 345 Cb 0.16 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.06 3k2i n HIS 345 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k2i n GLY 346 N 1.16 0.51 3.93 -1.41 0.00 -0.71 -5.02 105.19 103.65 3k2i n GLY 346 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 3k2i n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k2i s LYS 347 N -0.19 3.52 0.46 1.61 -0.14 0.02 -4.99 119.74 120.03 3k2i s LYS 347 Ca 0.00 -0.12 -0.25 0.00 -1.36 0.00 0.00 55.97 54.24 3k2i s LYS 347 Cb 0.00 -2.56 -0.08 0.00 -1.68 0.00 0.00 37.83 33.51 3k2i s LYS 347 CO 0.00 0.03 1.43 -2.00 -0.76 0.00 0.00 175.35 174.04 3k2i s GLU 348 N -4.41 3.62 0.20 1.68 2.12 -1.26 -3.97 118.70 116.67 3k2i s GLU 348 Ca 0.43 2.41 -0.32 0.00 0.36 0.00 0.00 54.97 57.85 3k2i s GLU 348 Cb -0.10 -2.61 -0.12 0.00 0.26 0.00 0.00 34.13 31.56 3k2i s GLU 348 CO 0.39 -0.87 1.70 1.17 -0.54 0.00 0.00 175.26 177.11 3k2i n LYS 349 N -0.29 2.69 -2.43 4.30 4.81 -1.26 -4.73 118.16 121.24 3k2i n LYS 349 Ca 0.06 0.97 -0.36 0.00 -0.87 0.00 0.00 58.31 58.10 3k2i n LYS 349 Cb 0.42 -2.81 -0.03 0.00 0.02 0.00 0.00 35.03 32.64 3k2i n LYS 349 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3k2i s PRO 350 N 1.15 3.96 0.13 1.64 0.04 -1.26 -4.99 135.00 135.67 3k2i s PRO 350 Ca 0.76 1.59 -0.31 0.00 0.04 0.00 0.00 61.00 63.08 3k2i s PRO 350 Cb -0.53 -2.43 -0.10 0.00 0.04 0.00 0.00 34.50 31.48 3k2i s PRO 350 CO 0.33 -0.34 1.63 -1.14 0.04 0.00 0.00 177.00 177.52 3k2i s GLN 351 N -2.67 4.20 -0.11 4.56 0.74 -1.21 -4.94 119.66 120.22 3k2i s GLN 351 Ca 0.61 2.38 0.03 0.00 0.05 0.00 0.00 55.36 58.44 3k2i s GLN 351 Cb -0.24 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.54 3k2i s GLN 351 CO 0.29 -0.68 -0.22 0.42 -0.55 0.00 0.00 175.29 174.56 3k2i s ILE 352 N 1.76 2.20 -0.22 -2.34 1.01 -1.26 -0.67 121.20 121.68 3k2i s ILE 352 Ca 0.72 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 60.42 3k2i s ILE 352 Cb -0.43 -1.86 0.03 0.00 0.01 0.00 0.00 42.46 40.21 3k2i s ILE 352 CO 0.32 0.55 -0.13 -0.63 0.00 0.00 0.00 174.94 175.05 3k2i s ILE 353 N 0.46 2.35 -0.18 2.92 1.01 0.18 -4.98 121.20 122.96 3k2i s ILE 353 Ca -0.15 -1.15 -0.07 0.00 0.00 0.00 0.00 60.65 59.28 3k2i s ILE 353 Cb -0.17 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 3k2i s ILE 353 CO 0.06 0.28 0.05 0.00 0.00 0.00 0.00 174.94 175.32 3k2i s TYR 355 N 0.48 2.81 0.51 0.00 2.02 -0.15 -4.98 117.35 118.03 3k2i s TYR 355 Ca 0.02 -1.50 -0.19 0.00 -0.37 0.00 0.00 57.07 55.03 3k2i s TYR 355 Cb -0.13 -1.95 -0.07 0.00 -0.40 0.00 0.00 41.96 39.41 3k2i s TYR 355 CO 0.01 -0.75 1.05 -1.25 -1.57 0.00 0.00 175.55 173.04 3k2i s PRO 356 N 1.29 3.67 -1.48 -1.71 0.04 -1.26 -0.81 135.00 134.74 3k2i s PRO 356 Ca 0.04 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.41 3k2i s PRO 356 Cb -0.13 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3k2i s PRO 356 CO -0.11 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.81 3k2i n GLY 357 N -0.43 1.22 3.12 0.56 0.00 -1.26 -4.59 105.19 103.81 3k2i n GLY 357 Ca 0.09 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 3k2i n GLY 357 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k2i s THR 358 N -2.56 1.85 0.00 2.61 2.01 -1.25 -0.56 115.64 117.74 3k2i s THR 358 Ca 0.00 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.15 3k2i s THR 358 Cb 0.00 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.86 3k2i s THR 358 CO 0.00 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 3k2i n GLY 359 N 4.18 -0.05 0.30 4.40 0.00 -1.24 -0.43 105.19 112.36 3k2i n GLY 359 Ca -0.20 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 3k2i n GLY 359 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3k2i h HIS 360 N -0.36 1.14 -3.04 1.61 2.76 -1.34 -3.40 115.15 112.52 3k2i h HIS 360 Ca 0.00 -0.20 -0.76 0.00 -2.20 0.00 0.00 60.37 57.21 3k2i h HIS 360 Cb 0.00 -0.30 -0.23 0.00 1.55 0.00 0.00 27.41 28.44 3k2i h HIS 360 CO 0.00 1.01 0.66 0.71 -1.30 0.00 0.00 177.93 179.01 3k2i s TYR 361 N -5.00 3.71 -0.63 5.26 2.02 -1.26 -4.85 117.35 116.60 3k2i s TYR 361 Ca -0.11 -2.10 -0.22 0.00 -0.37 0.00 0.00 57.07 54.26 3k2i s TYR 361 Cb 0.14 -4.04 0.07 0.00 -0.40 0.00 0.00 41.96 37.72 3k2i s TYR 361 CO 0.85 -1.18 0.91 0.42 -1.57 0.00 0.00 175.55 174.98 3k2i s ILE 362 N 0.64 4.42 0.68 2.71 1.01 -1.26 -4.99 121.20 124.41 3k2i s ILE 362 Ca 0.31 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.62 3k2i s ILE 362 Cb -0.07 -4.62 0.12 0.00 0.01 0.00 0.00 42.46 37.90 3k2i s ILE 362 CO -0.07 -1.34 0.94 -1.61 0.00 0.00 0.00 174.94 172.86 3k2i s GLU 363 N 3.80 1.82 0.98 2.79 0.41 -1.26 -5.07 118.70 122.18 3k2i s GLU 363 Ca 0.21 -1.41 -0.12 0.00 -0.41 0.00 0.00 54.97 53.25 3k2i s GLU 363 Cb -0.17 -2.45 0.18 0.00 -1.78 0.00 0.00 34.13 29.91 3k2i s GLU 363 CO 0.11 -1.30 1.08 -2.14 -0.49 0.00 0.00 175.26 172.52 3k2i s PRO 364 N -4.99 0.55 0.23 0.39 0.02 -1.26 -4.70 135.00 125.23 3k2i s PRO 364 Ca 0.66 0.84 -0.32 0.00 0.02 0.00 0.00 61.00 62.20 3k2i s PRO 364 Cb -0.05 -1.73 -0.13 0.00 0.02 0.00 0.00 34.50 32.62 3k2i s PRO 364 CO 0.43 -2.73 1.60 -2.30 -0.33 0.00 0.00 177.00 173.66 3k2i n PRO 365 N -4.22 2.49 -1.00 5.54 -0.02 -1.26 -2.27 135.00 134.25 3k2i n PRO 365 Ca 0.06 0.89 -0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3k2i n PRO 365 Cb 0.55 -2.67 -0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3k2i n PRO 365 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k2i n TYR 366 N 2.88 0.00 -2.33 6.00 4.01 -1.26 -4.16 117.16 122.31 3k2i n TYR 366 Ca 0.13 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.44 3k2i n TYR 366 Cb 0.34 -0.32 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 3k2i n TYR 366 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3k2i s PHE 367 N -1.87 2.58 0.52 -0.72 2.99 -0.96 -4.29 117.98 116.24 3k2i s PHE 367 Ca 0.00 0.80 -0.22 0.00 0.00 0.00 0.00 56.93 57.51 3k2i s PHE 367 Cb 0.00 -3.74 -0.06 0.00 0.00 0.00 0.00 43.02 39.22 3k2i s PHE 367 CO 0.00 -2.14 1.34 -2.14 -0.00 0.00 0.00 175.22 172.28 3k2i s PRO 368 N 3.94 3.29 0.09 0.24 0.02 -1.26 -4.92 135.00 136.40 3k2i s PRO 368 Ca 0.60 2.20 -0.31 0.00 0.02 0.00 0.00 61.00 63.51 3k2i s PRO 368 Cb -0.22 -2.33 -0.07 0.00 0.02 0.00 0.00 34.50 31.91 3k2i s PRO 368 CO 0.21 -1.06 1.26 -1.17 -0.33 0.00 0.00 177.00 175.91 3k2i s LEU 369 N -3.36 4.38 -0.47 -5.54 2.96 -1.26 -4.73 118.68 110.66 3k2i s LEU 369 Ca 0.69 2.13 -0.15 0.00 -0.22 0.00 0.00 54.13 56.58 3k2i s LEU 369 Cb -0.39 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 42.79 3k2i s LEU 369 CO 0.47 -0.52 0.38 0.00 -1.32 0.00 0.00 176.35 175.36 3k2i h PRO 371 N 8.73 0.00 -2.54 0.00 0.13 -1.95 -3.44 132.00 132.93 3k2i h PRO 371 Ca -0.28 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.76 3k2i h PRO 371 Cb 1.11 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.03 3k2i h PRO 371 CO 0.87 0.26 -0.08 0.00 -0.23 0.00 0.00 178.00 178.82 3k2i s ALA 372 N -3.53 -1.25 0.31 -0.56 0.00 -1.26 -1.60 121.76 113.87 3k2i s ALA 372 Ca 0.01 0.99 -0.19 0.00 0.00 0.00 0.00 51.96 52.77 3k2i s ALA 372 Cb 0.10 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.02 3k2i s ALA 372 CO 0.66 -0.29 0.72 -1.54 0.00 0.00 0.00 175.76 175.30 3k2i s SER 373 N -0.80 -0.15 -0.13 0.00 1.04 -0.48 -4.52 113.70 108.65 3k2i s SER 373 Ca -0.09 -0.80 -0.29 0.00 0.48 0.00 0.00 55.95 55.25 3k2i s SER 373 Cb -0.03 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.81 3k2i s SER 373 CO 0.05 -1.43 1.57 -0.22 0.98 0.00 0.00 173.24 174.19 3k2i s LEU 374 N -2.98 4.15 -0.10 2.42 2.96 -1.26 0.44 118.68 124.31 3k2i s LEU 374 Ca 0.13 1.92 -0.28 0.00 -0.22 0.00 0.00 54.13 55.69 3k2i s LEU 374 Cb -0.05 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 3k2i s LEU 374 CO 0.09 -1.01 0.93 -2.28 -1.32 0.00 0.00 176.35 172.76 3k2i s HIS 375 N 4.33 3.52 -0.06 5.38 5.65 0.14 -4.90 115.29 129.35 3k2i s HIS 375 Ca 0.69 1.49 -0.25 0.00 0.25 0.00 0.00 55.06 57.25 3k2i s HIS 375 Cb -0.28 -3.10 -0.24 0.00 -1.18 0.00 0.00 32.58 27.78 3k2i s HIS 375 CO 0.26 -0.17 1.00 0.07 -0.65 0.00 0.00 174.74 175.26 3k2i h ARG 376 N 7.08 0.17 -0.73 2.88 -0.00 -1.93 0.20 114.38 122.05 3k2i h ARG 376 Ca -0.33 -0.19 0.16 0.00 -0.00 0.00 0.00 59.98 59.62 3k2i h ARG 376 Cb 1.16 0.06 -0.11 0.00 -0.00 0.00 0.00 29.97 31.07 3k2i h ARG 376 CO 0.83 0.94 0.15 1.25 -0.00 0.00 0.00 179.97 183.14 3k2i h LEU 377 N -0.52 -0.04 0.00 0.08 5.85 -1.97 -2.40 115.31 116.31 3k2i h LEU 377 Ca -0.04 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3k2i h LEU 377 Cb 1.04 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3k2i h LEU 377 CO 0.05 -0.06 -0.93 0.18 -0.34 0.00 0.00 178.44 177.34 3k2i n LEU 378 N -5.19 0.80 -3.87 2.25 4.32 -1.23 -4.97 117.00 109.11 3k2i n LEU 378 Ca 0.14 0.28 -0.29 0.00 -0.02 0.00 0.00 56.01 56.12 3k2i n LEU 378 Cb 0.46 -0.09 0.03 0.00 -1.62 0.00 0.00 43.42 42.21 3k2i n LEU 378 CO 0.11 -0.15 0.12 -3.20 -1.22 0.00 0.00 177.39 173.05 3k2i n ASN 379 N -2.52 -4.81 -4.25 -1.43 5.15 0.68 -4.99 115.26 103.09 3k2i n ASN 379 Ca 0.01 -0.76 -0.18 0.00 -0.60 0.00 0.00 54.58 53.06 3k2i n ASN 379 Cb 0.52 -4.01 -0.11 0.00 -0.53 0.00 0.00 39.78 35.65 3k2i n ASN 379 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3k2i s LYS 380 N -6.56 1.04 -0.08 1.20 1.02 -1.06 -4.95 119.74 110.35 3k2i s LYS 380 Ca 0.63 -1.28 -0.30 0.00 0.02 0.00 0.00 55.97 55.04 3k2i s LYS 380 Cb -0.31 -0.88 -0.02 0.00 -0.52 0.00 0.00 37.83 36.09 3k2i s LYS 380 CO 0.82 0.16 1.14 -1.01 -0.92 0.00 0.00 175.35 175.54 3k2i s HIS 381 N -2.33 3.28 0.01 3.18 3.76 -1.26 0.25 115.29 122.18 3k2i s HIS 381 Ca 0.11 1.32 0.07 0.00 -0.15 0.00 0.00 55.06 56.41 3k2i s HIS 381 Cb -0.04 -3.35 -0.02 0.00 1.11 0.00 0.00 32.58 30.28 3k2i s HIS 381 CO 0.03 -0.99 -0.21 0.08 -0.85 0.00 0.00 174.74 172.80 3k2i s VAL 382 N 2.23 1.64 0.06 -0.90 1.01 0.17 -1.80 120.40 122.81 3k2i s VAL 382 Ca 0.53 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 3k2i s VAL 382 Cb -0.22 -1.39 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 3k2i s VAL 382 CO 0.20 0.34 0.56 0.27 0.00 0.00 0.00 175.10 176.48 3k2i s ILE 383 N -0.63 4.77 -0.52 2.22 -5.25 -0.59 -1.38 121.20 119.82 3k2i s ILE 383 Ca 0.08 1.20 0.14 0.00 -0.99 0.00 0.00 60.65 61.08 3k2i s ILE 383 Cb -0.08 -3.89 -0.16 0.00 2.95 0.00 0.00 42.46 41.27 3k2i s ILE 383 CO 0.00 0.54 0.53 0.79 -1.79 0.00 0.00 174.94 175.01 3k2i n TRP 384 N 1.84 0.00 0.00 1.37 7.02 -0.62 -4.36 117.44 122.68 3k2i n TRP 384 Ca -0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.38 3k2i n TRP 384 Cb 0.51 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 29.33 3k2i n TRP 384 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3k2i n GLY 385 N 1.40 -1.43 0.00 6.99 0.00 -1.26 -1.19 105.19 109.70 3k2i n GLY 385 Ca 0.02 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3k2i n GLY 385 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2i n GLY 386 N -1.31 3.25 3.29 -0.02 0.00 -1.26 -3.70 105.19 105.45 3k2i n GLY 386 Ca 0.00 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 3k2i n GLY 386 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k2i s GLU 387 N -4.02 2.54 0.15 1.61 -6.30 0.28 -4.87 118.70 108.08 3k2i s GLU 387 Ca 0.00 -0.89 -0.23 0.00 -2.50 0.00 0.00 54.97 51.35 3k2i s GLU 387 Cb 0.00 -2.18 0.04 0.00 0.00 0.00 0.00 34.13 31.98 3k2i s GLU 387 CO 0.00 0.41 1.61 -1.35 0.02 0.00 0.00 175.26 175.95 3k2i h PRO 388 N 5.98 -0.26 0.34 4.30 0.11 -1.97 0.11 132.00 140.60 3k2i h PRO 388 Ca -0.34 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 3k2i h PRO 388 Cb 1.17 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3k2i h PRO 388 CO 0.48 -0.17 -0.16 -0.09 -0.21 0.00 0.00 178.00 177.84 3k2i h ARG 389 N -0.27 -0.44 -0.72 1.05 2.43 -1.96 -1.00 114.38 113.47 3k2i h ARG 389 Ca 0.15 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 3k2i h ARG 389 Cb 0.51 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.10 3k2i h ARG 389 CO -0.44 -0.14 0.43 0.00 -1.51 0.00 0.00 179.97 178.31 3k2i h ALA 390 N -0.19 0.96 -0.33 2.80 0.00 -1.79 -1.35 119.26 119.34 3k2i h ALA 390 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3k2i h ALA 390 Cb 0.50 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3k2i h ALA 390 CO 0.08 0.17 0.16 1.25 0.00 0.00 0.00 179.25 180.91 3k2i h HIS 391 N 0.82 0.44 -0.31 0.00 -0.00 -0.76 -1.61 115.15 113.73 3k2i h HIS 391 Ca 0.30 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.65 3k2i h HIS 391 Cb 0.10 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 3k2i h HIS 391 CO -0.05 0.33 0.11 1.03 -0.00 0.00 0.00 177.93 179.34 3k2i h SER 392 N 0.46 0.44 0.18 3.26 0.87 -0.08 -0.58 113.55 118.09 3k2i h SER 392 Ca 0.12 -0.19 -0.12 0.00 -1.23 0.00 0.00 61.79 60.37 3k2i h SER 392 Cb 0.05 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3k2i h SER 392 CO -0.02 0.51 -0.45 0.11 -0.53 0.00 0.00 176.83 176.45 3k2i h LYS 393 N 0.34 0.34 -0.58 2.24 1.57 -1.11 -2.06 116.57 117.30 3k2i h LYS 393 Ca 0.10 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3k2i h LYS 393 Cb 0.22 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3k2i h LYS 393 CO -0.01 0.72 0.29 0.00 -0.57 0.00 0.00 179.45 179.89 3k2i h ALA 394 N 1.25 0.75 -0.39 3.86 0.00 -0.79 0.88 119.26 124.83 3k2i h ALA 394 Ca 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3k2i h ALA 394 Cb 0.90 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3k2i h ALA 394 CO 0.07 0.30 0.11 1.96 0.00 0.00 0.00 179.25 181.70 3k2i h GLN 395 N 0.79 0.60 -0.10 0.00 4.20 -0.82 0.40 115.11 120.20 3k2i h GLN 395 Ca 0.20 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3k2i h GLN 395 Cb 0.10 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3k2i h GLN 395 CO -0.03 0.62 0.06 0.93 -0.67 0.00 0.00 178.83 179.74 3k2i h GLU 396 N 0.48 0.13 -0.58 1.46 5.08 -1.20 -2.93 114.58 117.02 3k2i h GLU 396 Ca 0.12 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 3k2i h GLU 396 Cb 0.27 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3k2i h GLU 396 CO -0.00 0.15 -0.04 0.22 -1.00 0.00 0.00 179.01 178.34 3k2i h ASP 397 N 0.08 1.04 -0.58 1.42 3.58 -0.47 -3.10 116.42 118.39 3k2i h ASP 397 Ca 0.03 -0.32 0.02 0.00 0.42 0.00 0.00 57.03 57.18 3k2i h ASP 397 Cb 0.06 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.80 3k2i h ASP 397 CO -0.01 1.11 0.38 0.00 -2.88 0.00 0.00 179.24 177.85 3k2i h ALA 398 N 0.96 1.63 -0.29 -0.78 0.00 -0.12 -1.73 119.26 118.93 3k2i h ALA 398 Ca 0.16 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3k2i h ALA 398 Cb 0.61 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3k2i h ALA 398 CO 0.04 0.33 0.03 2.35 0.00 0.00 0.00 179.25 182.00 3k2i h TRP 399 N 0.74 0.52 -0.77 0.00 2.91 -1.44 0.13 115.95 118.04 3k2i h TRP 399 Ca 0.22 -0.08 0.01 0.00 1.13 0.00 0.00 58.89 60.18 3k2i h TRP 399 Cb -0.03 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 28.44 3k2i h TRP 399 CO -0.00 0.60 0.51 0.87 -1.03 0.00 0.00 178.44 179.38 3k2i h LYS 400 N 0.30 0.99 -0.47 2.65 1.57 -1.36 -0.74 116.57 119.51 3k2i h LYS 400 Ca 0.09 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3k2i h LYS 400 Cb 0.37 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3k2i h LYS 400 CO 0.01 0.66 0.13 1.96 -0.57 0.00 0.00 179.45 181.63 3k2i h GLN 401 N 1.02 0.75 -0.52 3.15 1.08 -0.95 0.44 115.11 120.08 3k2i h GLN 401 Ca 0.29 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 3k2i h GLN 401 Cb -0.08 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.22 3k2i h GLN 401 CO -0.08 0.72 0.28 0.82 -0.95 0.00 0.00 178.83 179.63 3k2i h ILE 402 N 0.63 1.18 -0.13 2.54 2.04 -0.54 -1.36 117.51 121.87 3k2i h ILE 402 Ca 0.15 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3k2i h ILE 402 Cb 0.30 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3k2i h ILE 402 CO -0.00 0.20 0.07 -0.07 0.00 0.00 0.00 178.15 178.34 3k2i h LEU 403 N 0.70 0.17 -0.95 1.44 3.38 -0.68 -2.12 115.31 117.25 3k2i h LEU 403 Ca 0.18 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3k2i h LEU 403 Cb 0.06 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3k2i h LEU 403 CO -0.03 0.23 0.44 0.00 0.09 0.00 0.00 178.44 179.17 3k2i h ALA 404 N 0.95 1.19 -0.23 1.53 0.00 -0.73 0.63 119.26 122.58 3k2i h ALA 404 Ca 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3k2i h ALA 404 Cb 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3k2i h ALA 404 CO -0.01 0.64 0.04 0.35 0.00 0.00 0.00 179.25 180.28 3k2i h PHE 405 N 1.18 0.40 -0.18 0.00 3.57 -1.13 -1.26 116.94 119.54 3k2i h PHE 405 Ca 0.29 -0.05 -0.17 0.00 3.53 0.00 0.00 57.97 61.57 3k2i h PHE 405 Cb 0.06 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 3k2i h PHE 405 CO 0.01 0.50 -0.57 0.74 -2.23 0.00 0.00 178.31 176.76 3k2i h PHE 406 N 0.19 0.70 -0.47 0.41 0.04 -1.13 -1.70 116.94 114.98 3k2i h PHE 406 Ca 0.07 -0.26 0.02 0.00 2.80 0.00 0.00 57.97 60.61 3k2i h PHE 406 Cb 0.31 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 3k2i h PHE 406 CO 0.02 1.00 0.27 0.00 -0.60 0.00 0.00 178.31 179.00 3k2i h LYS 408 N 0.55 0.18 0.00 0.00 1.63 -1.17 -3.34 116.57 114.42 3k2i h LYS 408 Ca 0.19 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 3k2i h LYS 408 Cb 0.03 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3k2i h LYS 408 CO -0.09 0.27 -0.62 0.72 -3.45 0.00 0.00 179.45 176.28 3k2i n HIS 409 N -4.91 0.15 0.38 1.91 8.25 -0.65 -5.11 115.22 115.24 3k2i n HIS 409 Ca -0.05 0.04 0.05 0.00 -0.26 0.00 0.00 57.72 57.50 3k2i n HIS 409 Cb 0.11 -0.34 0.04 0.00 1.12 0.00 0.00 29.99 30.91 3k2i n HIS 409 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26