#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vnt s GLN 0 N 0.00 0.38 0.34 -1.08 -1.52 -1.26 -5.05 119.66 111.47 2vnt s GLN 0 Ca 0.00 -0.63 -0.29 0.00 -1.95 0.00 0.00 55.36 52.49 2vnt s GLN 0 Cb 0.00 -1.57 -0.12 0.00 -0.22 0.00 0.00 33.01 31.10 2vnt s GLN 0 CO 0.00 -0.93 1.41 0.00 -0.25 0.00 0.00 175.29 175.52 2vnt n GLY 2 N 0.96 0.51 3.58 0.00 0.00 0.33 -4.71 105.19 105.87 2vnt n GLY 2 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2vnt n GLY 2 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vnt s GLN 3 N -0.50 3.74 0.61 1.61 -0.21 -0.87 -4.45 119.66 119.60 2vnt s GLN 3 Ca 0.00 0.08 -0.02 0.00 0.02 0.00 0.00 55.36 55.45 2vnt s GLN 3 Cb 0.00 -3.78 0.04 0.00 1.00 0.00 0.00 33.01 30.28 2vnt s GLN 3 CO 0.00 -0.65 0.87 -1.59 -2.12 0.00 0.00 175.29 171.79 2vnt s LYS 4 N 2.59 2.40 -0.55 2.91 -2.85 -1.26 -4.94 119.74 118.04 2vnt s LYS 4 Ca 0.23 -0.59 -0.18 0.00 -1.00 0.00 0.00 55.97 54.43 2vnt s LYS 4 Cb -0.15 -2.37 0.10 0.00 -2.06 0.00 0.00 37.83 33.35 2vnt s LYS 4 CO 0.13 -0.92 0.61 0.99 0.10 0.00 0.00 175.35 176.26 2vnt s THR 5 N -2.94 4.97 -0.31 3.79 2.01 -1.26 -5.04 115.64 116.86 2vnt s THR 5 Ca 0.58 -1.03 -0.14 0.00 0.31 0.00 0.00 61.69 61.41 2vnt s THR 5 Cb -0.10 -4.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.00 2vnt s THR 5 CO 0.41 -0.94 0.31 -0.76 -0.69 0.00 0.00 174.62 172.94 2vnt s LEU 6 N 2.29 4.24 -0.39 4.42 2.01 -1.26 -5.02 118.68 124.98 2vnt s LEU 6 Ca 0.09 -0.07 -0.17 0.00 0.01 0.00 0.00 54.13 53.99 2vnt s LEU 6 Cb -0.25 -2.28 0.01 0.00 0.01 0.00 0.00 46.19 43.68 2vnt s LEU 6 CO 0.06 -0.21 0.46 -0.13 1.01 0.00 0.00 176.35 177.54 2vnt s ARG 7 N 1.93 3.34 0.00 1.70 1.81 -1.26 -5.31 118.95 121.16 2vnt s ARG 7 Ca 0.11 -0.50 0.00 0.00 -1.72 0.00 0.00 55.73 53.62 2vnt s ARG 7 Cb -0.16 -3.89 0.00 0.00 -0.45 0.00 0.00 34.95 30.44 2vnt s ARG 7 CO 0.11 -0.75 0.00 -2.30 -0.68 0.00 0.00 175.30 171.68 2vnt n PRO 8 N 5.66 0.00 0.00 3.54 -0.02 -1.26 -5.36 135.00 137.56 2vnt n PRO 8 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2vnt n PRO 8 Cb 0.48 -0.11 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 2vnt n PRO 8 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2vnt n ILE 10 N 0.05 0.00 0.22 4.25 2.08 -0.15 -5.38 119.36 120.43 2vnt n ILE 10 Ca 0.00 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.23 2vnt n ILE 10 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 38.85 2vnt n ILE 10 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2vnt h ILE 11 N 0.00 0.00 0.00 1.39 5.03 -1.34 -3.34 117.51 119.26 2vnt h ILE 11 Ca 0.00 -0.03 0.00 0.00 -0.12 0.00 0.00 64.86 64.71 2vnt h ILE 11 Cb 0.00 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 33.79 2vnt h ILE 11 CO 0.00 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.08 2vnt n GLY 12 N -1.11 0.65 7.00 5.37 0.00 -1.25 -4.67 105.19 111.18 2vnt n GLY 12 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2vnt n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vnt n GLY 13 N 5.00 1.72 3.19 -0.02 0.00 -1.26 -4.90 105.19 108.92 2vnt n GLY 13 Ca 0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 2vnt n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vnt s GLU 14 N 0.00 0.58 0.58 1.61 8.01 -0.32 -5.00 118.70 124.15 2vnt s GLU 14 Ca 0.00 -0.20 -0.19 0.00 0.01 0.00 0.00 54.97 54.59 2vnt s GLU 14 Cb 0.00 0.25 -0.04 0.00 -4.31 0.00 0.00 34.13 30.03 2vnt s GLU 14 CO 0.00 -0.15 1.23 -0.06 0.01 0.00 0.00 175.26 176.29 2vnt s PHE 15 N -1.20 2.38 0.05 1.61 0.40 -1.26 -1.51 117.98 118.45 2vnt s PHE 15 Ca -0.13 1.50 -0.00 0.00 -0.60 0.00 0.00 56.93 57.70 2vnt s PHE 15 Cb -0.06 -3.53 0.00 0.00 0.51 0.00 0.00 43.02 39.94 2vnt s PHE 15 CO 0.03 -2.32 0.07 0.25 0.70 0.00 0.00 175.22 173.95 2vnt n THR 16 N -1.48 0.00 -4.40 0.64 -2.24 -0.24 -4.83 114.28 101.73 2vnt n THR 16 Ca 0.13 -0.25 -0.26 0.00 -2.27 0.00 0.00 64.05 61.40 2vnt n THR 16 Cb 0.49 0.15 -0.12 0.00 -2.10 0.00 0.00 70.33 68.75 2vnt n THR 16 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2vnt s THR 17 N -2.50 2.22 -0.98 4.28 -4.23 -1.26 -4.44 115.64 108.73 2vnt s THR 17 Ca 0.04 -1.95 0.05 0.00 -1.18 0.00 0.00 61.69 58.65 2vnt s THR 17 Cb -0.00 -2.03 0.04 0.00 1.34 0.00 0.00 72.50 71.85 2vnt s THR 17 CO 0.03 -0.12 1.17 2.30 -0.54 0.00 0.00 174.62 177.46 2vnt n ILE 18 N 0.40 1.65 -0.15 2.99 -6.64 -1.26 -2.01 119.36 114.34 2vnt n ILE 18 Ca -0.14 0.42 0.07 0.00 -1.77 0.00 0.00 62.75 61.34 2vnt n ILE 18 Cb 0.56 -1.34 0.39 0.00 -1.44 0.00 0.00 39.64 37.80 2vnt n ILE 18 CO 0.00 0.00 0.00 -0.33 -1.77 0.00 0.00 176.55 174.45 2vnt h GLU 19 N 0.00 0.66 0.00 6.28 3.07 -1.86 0.52 114.58 123.25 2vnt h GLU 19 Ca 0.00 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 58.72 2vnt h GLU 19 Cb 0.08 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2vnt h GLU 19 CO 0.00 0.43 -0.46 -0.91 -1.40 0.00 0.00 179.01 176.67 2vnt h ASN 20 N 0.68 0.00 -2.01 1.42 2.35 -1.76 -3.39 115.58 112.87 2vnt h ASN 20 Ca 0.29 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.50 2vnt h ASN 20 Cb 0.29 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.26 2vnt h ASN 20 CO -0.09 0.46 -1.11 0.00 -1.65 0.00 0.00 177.43 175.04 2vnt n GLN 21 N -3.38 0.86 0.02 0.81 1.13 -0.78 -5.00 117.38 111.05 2vnt n GLN 21 Ca 0.01 -3.33 0.06 0.00 -1.94 0.00 0.00 57.00 51.81 2vnt n GLN 21 Cb 0.63 -1.37 0.29 0.00 0.11 0.00 0.00 30.24 29.89 2vnt n GLN 21 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2vnt n PRO 22 N 1.11 0.03 0.02 -1.09 -0.04 0.10 -1.70 135.00 133.44 2vnt n PRO 22 Ca 0.22 0.34 0.11 0.00 -0.04 0.00 0.00 63.50 64.14 2vnt n PRO 22 Cb 0.55 -1.57 0.11 0.00 -0.04 0.00 0.00 33.50 32.56 2vnt n PRO 22 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2vnt n TRP 23 N -1.63 0.19 -1.91 0.54 2.14 -1.23 -1.74 117.44 113.80 2vnt n TRP 23 Ca 0.02 0.06 -0.42 0.00 2.07 0.00 0.00 57.50 59.23 2vnt n TRP 23 Cb 0.14 -0.36 -0.03 0.00 -0.81 0.00 0.00 31.31 30.25 2vnt n TRP 23 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 2vnt s PHE 24 N -3.10 2.05 -0.13 -2.67 2.19 -0.69 -0.95 117.98 114.68 2vnt s PHE 24 Ca 0.07 0.13 -0.07 0.00 0.33 0.00 0.00 56.93 57.39 2vnt s PHE 24 Cb 0.15 -4.00 -0.04 0.00 -1.31 0.00 0.00 43.02 37.83 2vnt s PHE 24 CO 0.76 -4.18 0.11 0.00 1.83 0.00 0.00 175.22 173.75 2vnt s ALA 25 N 3.48 3.73 -0.32 11.12 0.00 0.27 -4.36 121.76 135.68 2vnt s ALA 25 Ca 0.76 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.97 2vnt s ALA 25 Cb -0.38 -1.91 0.02 0.00 0.00 0.00 0.00 23.12 20.84 2vnt s ALA 25 CO 0.33 0.53 0.11 0.00 0.00 0.00 0.00 175.76 176.73 2vnt s ALA 26 N -0.74 3.12 -0.16 0.00 0.00 -0.67 -0.83 121.76 122.48 2vnt s ALA 26 Ca 0.13 -1.56 -0.07 0.00 0.00 0.00 0.00 51.96 50.47 2vnt s ALA 26 Cb -0.12 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 2vnt s ALA 26 CO 0.03 -1.09 0.06 0.42 0.00 0.00 0.00 175.76 175.18 2vnt s ILE 27 N 1.50 4.83 0.16 0.00 1.01 -0.62 -1.09 121.20 126.99 2vnt s ILE 27 Ca 0.02 -0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.71 2vnt s ILE 27 Cb -0.18 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 2vnt s ILE 27 CO 0.04 0.50 -0.15 -0.31 0.00 0.00 0.00 174.94 175.02 2vnt s TYR 28 N 0.03 1.56 -0.16 3.97 2.02 0.63 -0.41 117.35 125.00 2vnt s TYR 28 Ca 0.06 -0.57 -0.05 0.00 -0.37 0.00 0.00 57.07 56.14 2vnt s TYR 28 Cb -0.12 -0.78 -0.03 0.00 -0.40 0.00 0.00 41.96 40.63 2vnt s TYR 28 CO 0.01 0.24 0.01 1.03 -1.57 0.00 0.00 175.55 175.26 2vnt s ARG 29 N -3.10 3.73 -0.07 -0.62 0.52 0.14 -1.13 118.95 118.42 2vnt s ARG 29 Ca 0.15 -0.43 -0.24 0.00 -0.52 0.00 0.00 55.73 54.70 2vnt s ARG 29 Cb -0.03 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 2vnt s ARG 29 CO 0.04 0.31 0.71 0.50 0.02 0.00 0.00 175.30 176.89 2vnt s ARG 30 N 0.21 4.43 0.00 3.54 3.52 0.44 -2.01 118.95 129.07 2vnt s ARG 30 Ca 0.01 0.89 0.00 0.00 -0.13 0.00 0.00 55.73 56.50 2vnt s ARG 30 Cb -0.13 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 2vnt s ARG 30 CO 0.02 0.05 0.00 0.72 -0.81 0.00 0.00 175.30 175.27 2vnt n HIS 31 N 3.83 0.00 -3.51 5.12 8.25 0.37 -4.81 115.22 124.48 2vnt n HIS 31 Ca -0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 2vnt n HIS 31 Cb 0.51 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.51 2vnt n HIS 31 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2vnt s ARG 32 N 2.17 0.22 0.00 -0.41 3.03 -1.26 -4.88 118.95 117.83 2vnt s ARG 32 Ca 0.00 0.46 0.00 0.00 2.03 0.00 0.00 55.73 58.22 2vnt s ARG 32 Cb 0.00 -0.67 0.00 0.00 -1.03 0.00 0.00 34.95 33.25 2vnt s ARG 32 CO 0.00 -0.54 0.00 0.41 -1.13 0.00 0.00 175.30 174.04 2vnt n GLY 33 N 5.34 1.87 0.00 3.88 0.00 -1.26 -4.67 105.19 110.36 2vnt n GLY 33 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2vnt n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vnt n GLY 34 N -2.00 0.37 3.55 -0.02 0.00 -1.26 -5.17 105.19 100.66 2vnt n GLY 34 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 2vnt n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vnt s SER 35 N 0.00 -0.88 0.00 1.61 1.04 -1.26 -5.04 113.70 109.17 2vnt s SER 35 Ca 0.00 1.40 0.00 0.00 0.48 0.00 0.00 55.95 57.83 2vnt s SER 35 Cb 0.00 1.65 0.00 0.00 0.10 0.00 0.00 66.02 67.77 2vnt s SER 35 CO 0.00 -0.23 0.00 0.52 0.98 0.00 0.00 173.24 174.51 2vnt n VAL 36 N 4.86 0.00 -1.84 5.02 0.31 -0.85 0.14 118.33 125.98 2vnt n VAL 36 Ca -0.16 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.76 2vnt n VAL 36 Cb 0.54 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.45 2vnt n VAL 36 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2vnt s THR 37 N -0.44 2.22 0.13 2.52 -1.32 -1.13 -4.73 115.64 112.89 2vnt s THR 37 Ca 0.00 0.18 -0.30 0.00 -1.21 0.00 0.00 61.69 60.36 2vnt s THR 37 Cb 0.00 -3.12 -0.07 0.00 -1.51 0.00 0.00 72.50 67.81 2vnt s THR 37 CO 0.00 0.03 1.12 -0.47 -2.21 0.00 0.00 174.62 173.09 2vnt s TYR 38 N 0.06 3.56 -0.12 9.09 5.04 -1.26 0.25 117.35 133.96 2vnt s TYR 38 Ca 0.63 1.53 -0.14 0.00 -2.44 0.00 0.00 57.07 56.64 2vnt s TYR 38 Cb -0.46 -3.30 -0.05 0.00 0.35 0.00 0.00 41.96 38.50 2vnt s TYR 38 CO 0.46 -0.74 -0.28 0.28 -1.34 0.00 0.00 175.55 173.93 2vnt n VAL 39 N 2.91 1.44 -3.52 3.14 0.31 0.46 -4.85 118.33 118.22 2vnt n VAL 39 Ca 0.05 0.19 -0.09 0.00 -0.01 0.00 0.00 64.34 64.48 2vnt n VAL 39 Cb 0.47 -2.19 -0.03 0.00 -0.91 0.00 0.00 33.84 31.18 2vnt n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2vnt s GLY 41 N -2.16 1.61 0.38 0.00 0.00 -0.10 -1.58 107.32 105.48 2vnt s GLY 41 Ca 0.03 -0.71 -0.15 0.00 0.00 0.00 0.00 44.72 43.89 2vnt s GLY 41 CO -0.06 -0.24 0.78 -0.32 0.00 0.00 0.00 173.10 173.27 2vnt s GLY 42 N -4.56 0.39 -0.04 0.20 0.00 -0.01 -3.73 107.32 99.56 2vnt s GLY 42 Ca 0.62 -0.76 -0.02 0.00 0.00 0.00 0.00 44.72 44.55 2vnt s GLY 42 CO 0.48 -0.32 0.07 -0.56 0.00 0.00 0.00 173.10 172.77 2vnt s SER 43 N -3.07 0.90 -0.14 1.64 0.01 -0.15 -0.56 113.70 112.31 2vnt s SER 43 Ca 0.16 0.11 -0.29 0.00 1.31 0.00 0.00 55.95 57.23 2vnt s SER 43 Cb -0.05 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.08 2vnt s SER 43 CO 0.12 -0.23 1.44 -0.22 0.41 0.00 0.00 173.24 174.76 2vnt s LEU 44 N 1.99 4.17 -0.00 2.44 1.98 -0.13 -1.15 118.68 127.99 2vnt s LEU 44 Ca 0.02 1.83 0.03 0.00 -2.89 0.00 0.00 54.13 53.12 2vnt s LEU 44 Cb -0.12 -3.54 -0.03 0.00 0.66 0.00 0.00 46.19 43.16 2vnt s LEU 44 CO -0.03 -0.90 0.09 1.15 -1.89 0.00 0.00 176.35 174.76 2vnt n MET 45 N 6.97 3.57 -3.89 1.98 0.00 -0.65 -1.62 117.12 123.48 2vnt n MET 45 Ca 0.16 -0.01 -0.08 0.00 0.00 0.00 0.00 57.70 57.77 2vnt n MET 45 Cb 0.44 -0.81 -0.03 0.00 0.00 0.00 0.00 33.22 32.82 2vnt n MET 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2vnt s SER 46 N -1.69 -0.20 0.33 3.17 1.04 -1.22 -4.81 113.70 110.32 2vnt s SER 46 Ca 0.00 -0.71 0.07 0.00 0.48 0.00 0.00 55.95 55.80 2vnt s SER 46 Cb 0.02 0.66 0.76 0.00 0.10 0.00 0.00 66.02 67.56 2vnt s SER 46 CO 0.11 -1.24 1.85 -0.65 0.98 0.00 0.00 173.24 174.28 2vnt h PRO 47 N 2.11 0.73 -0.02 4.02 0.11 -1.97 -3.15 132.00 133.83 2vnt h PRO 47 Ca -0.23 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2vnt h PRO 47 Cb 1.25 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2vnt h PRO 47 CO 0.29 0.48 -0.19 0.00 -0.21 0.00 0.00 178.00 178.38 2vnt s TRP 49 N -1.84 2.19 -0.15 0.00 0.52 -1.19 -0.29 118.94 118.17 2vnt s TRP 49 Ca 0.19 -1.00 -0.06 0.00 0.02 0.00 0.00 56.10 55.25 2vnt s TRP 49 Cb 0.15 -1.53 -0.04 0.00 -1.15 0.00 0.00 33.47 30.91 2vnt s TRP 49 CO 0.35 -0.47 0.05 0.08 0.02 0.00 0.00 176.95 176.97 2vnt s VAL 50 N 0.78 4.68 -0.11 4.03 1.01 0.72 -1.64 120.40 129.86 2vnt s VAL 50 Ca -0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 2vnt s VAL 50 Cb -0.16 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2vnt s VAL 50 CO 0.01 0.52 0.05 -0.51 0.00 0.00 0.00 175.10 175.17 2vnt s ILE 51 N -0.10 4.74 0.00 2.22 2.07 -0.30 -0.15 121.20 129.68 2vnt s ILE 51 Ca 0.06 -0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.22 2vnt s ILE 51 Cb -0.12 -3.04 0.00 0.00 0.13 0.00 0.00 42.46 39.43 2vnt s ILE 51 CO 0.01 0.59 0.00 -0.24 -1.91 0.00 0.00 174.94 173.40 2vnt n SER 52 N 2.26 0.00 -4.56 4.50 2.88 -0.13 -0.98 113.62 117.58 2vnt n SER 52 Ca -0.19 -0.02 -0.34 0.00 -1.33 0.00 0.00 58.87 57.00 2vnt n SER 52 Cb 0.54 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.89 2vnt n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2vnt s ALA 53 N -1.56 3.10 0.45 -1.46 0.00 -1.26 -0.93 121.76 120.10 2vnt s ALA 53 Ca 0.00 -0.81 0.25 0.00 0.00 0.00 0.00 51.96 51.40 2vnt s ALA 53 Cb 0.00 -1.55 1.42 0.00 0.00 0.00 0.00 23.12 22.99 2vnt s ALA 53 CO 0.00 0.32 2.09 1.79 0.00 0.00 0.00 175.76 179.96 2vnt h THR 54 N 4.83 0.68 0.00 0.00 1.35 -1.75 -2.79 112.91 115.23 2vnt h THR 54 Ca -0.37 -0.46 -0.01 0.00 -0.55 0.00 0.00 66.41 65.02 2vnt h THR 54 Cb 1.19 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 68.89 2vnt h THR 54 CO 0.61 0.11 -0.04 1.12 -0.25 0.00 0.00 175.52 177.08 2vnt h HIS 55 N 0.00 0.00 -0.01 4.73 2.07 -1.93 -1.71 115.15 118.30 2vnt h HIS 55 Ca -0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 2vnt h HIS 55 Cb 0.27 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.25 2vnt h HIS 55 CO 0.00 0.04 -0.16 0.00 -3.07 0.00 0.00 177.93 174.73 2vnt n PHE 57 N -4.34 0.00 -0.17 0.00 3.72 -0.66 -4.71 117.46 111.30 2vnt n PHE 57 Ca -0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.47 2vnt n PHE 57 Cb 0.23 0.00 0.40 0.00 -0.94 0.00 0.00 39.48 39.18 2vnt n PHE 57 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2vnt h ILE 58 N 0.25 0.94 0.00 4.37 5.03 -1.62 -2.04 117.51 124.45 2vnt h ILE 58 Ca 0.00 -0.22 0.00 0.00 -0.12 0.00 0.00 64.86 64.52 2vnt h ILE 58 Cb 0.18 0.25 0.00 0.00 -3.03 0.00 0.00 36.82 34.23 2vnt h ILE 58 CO 0.00 0.12 -0.53 0.44 -0.68 0.00 0.00 178.15 177.49 2vnt h ASP 59 N 0.63 0.00 -2.04 1.72 3.32 -1.84 -3.39 116.42 114.82 2vnt h ASP 59 Ca 0.33 -0.07 -0.54 0.00 0.02 0.00 0.00 57.03 56.77 2vnt h ASP 59 Cb 0.44 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 39.63 2vnt h ASP 59 CO -0.11 0.03 -0.98 -1.22 -1.72 0.00 0.00 179.24 175.24 2vnt n TYR 60 N -2.54 -1.01 1.55 4.55 4.01 -0.81 -5.01 117.16 117.90 2vnt n TYR 60 Ca 0.03 -3.21 0.00 0.00 -0.16 0.00 0.00 57.90 54.55 2vnt n TYR 60 Cb 0.50 0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 2vnt n TYR 60 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2vnt n PRO 61 N 2.26 0.82 -3.13 -0.72 -0.04 -0.93 -4.80 135.00 128.47 2vnt n PRO 61 Ca 0.25 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 2vnt n PRO 61 Cb 0.51 -1.05 -0.07 0.00 -0.04 0.00 0.00 33.50 32.85 2vnt n PRO 61 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2vnt s LYS 62 N -1.88 3.83 0.52 0.54 1.02 -1.26 -4.96 119.74 117.55 2vnt s LYS 62 Ca 0.00 0.20 0.24 0.00 0.02 0.00 0.00 55.97 56.42 2vnt s LYS 62 Cb 0.00 -3.75 1.35 0.00 -0.52 0.00 0.00 37.83 34.91 2vnt s LYS 62 CO 0.00 -0.60 1.99 1.57 -0.92 0.00 0.00 175.35 177.39 2vnt h LYS 63 N 8.27 0.05 -0.00 1.68 2.10 -1.89 -2.70 116.57 124.08 2vnt h LYS 63 Ca -0.27 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 2vnt h LYS 63 Cb 1.12 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2vnt h LYS 63 CO 0.80 0.03 -0.02 -0.85 -2.00 0.00 0.00 179.45 177.41 2vnt n GLU 64 N -4.40 0.68 0.10 0.07 0.00 -1.26 -2.64 120.64 113.19 2vnt n GLU 64 Ca 0.10 -0.07 0.12 0.00 0.00 0.00 0.00 57.16 57.31 2vnt n GLU 64 Cb 0.58 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 30.76 2vnt n GLU 64 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2vnt h ASP 65 N 0.16 0.00 -3.05 -1.84 3.45 -1.79 -3.48 116.42 109.88 2vnt h ASP 65 Ca 0.00 -0.08 -0.61 0.00 0.43 0.00 0.00 57.03 56.77 2vnt h ASP 65 Cb 0.22 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.93 2vnt h ASP 65 CO 0.00 0.04 -0.21 -0.31 -1.57 0.00 0.00 179.24 177.19 2vnt s TYR 66 N -3.16 3.70 -0.14 4.55 1.51 -1.08 0.16 117.35 122.89 2vnt s TYR 66 Ca 0.07 0.96 -0.00 0.00 -1.01 0.00 0.00 57.07 57.09 2vnt s TYR 66 Cb 0.11 -2.31 -0.01 0.00 -0.11 0.00 0.00 41.96 39.64 2vnt s TYR 66 CO 0.67 0.59 -0.13 0.42 -1.11 0.00 0.00 175.55 175.99 2vnt s ILE 67 N -0.86 3.07 -0.09 2.71 -1.09 -0.28 -4.08 121.20 120.57 2vnt s ILE 67 Ca 0.23 -0.65 0.01 0.00 -2.23 0.00 0.00 60.65 58.01 2vnt s ILE 67 Cb -0.16 -2.29 -0.02 0.00 -1.58 0.00 0.00 42.46 38.40 2vnt s ILE 67 CO 0.13 0.52 -0.10 0.68 -1.23 0.00 0.00 174.94 174.93 2vnt s VAL 68 N 0.41 3.35 0.08 2.92 -7.23 -0.68 -0.27 120.40 118.99 2vnt s VAL 68 Ca -0.10 -0.59 0.04 0.00 -1.81 0.00 0.00 61.98 59.52 2vnt s VAL 68 Cb -0.16 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2vnt s VAL 68 CO 0.05 0.56 0.06 -0.31 -0.31 0.00 0.00 175.10 175.15 2vnt s TYR 69 N -0.31 3.13 0.02 2.82 2.02 -0.25 0.07 117.35 124.85 2vnt s TYR 69 Ca 0.03 0.05 0.05 0.00 -0.37 0.00 0.00 57.07 56.83 2vnt s TYR 69 Cb -0.13 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 2vnt s TYR 69 CO 0.03 0.51 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.86 2vnt s LEU 70 N -2.37 2.13 -0.35 -1.29 1.02 -0.23 -1.66 118.68 115.93 2vnt s LEU 70 Ca 0.28 -0.40 -0.00 0.00 0.02 0.00 0.00 54.13 54.03 2vnt s LEU 70 Cb -0.12 -0.67 0.00 0.00 0.02 0.00 0.00 46.19 45.42 2vnt s LEU 70 CO 0.21 0.09 0.03 0.61 0.02 0.00 0.00 176.35 177.30 2vnt n GLY 71 N 2.14 0.25 3.16 -3.19 0.00 -1.25 0.34 105.19 106.64 2vnt n GLY 71 Ca -0.17 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 2vnt n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2vnt s ARG 72 N -4.33 2.94 0.00 1.61 3.52 -1.26 -3.47 118.95 117.96 2vnt s ARG 72 Ca 0.01 -0.82 0.13 0.00 -0.13 0.00 0.00 55.73 54.92 2vnt s ARG 72 Cb -0.01 -2.39 0.15 0.00 -1.56 0.00 0.00 34.95 31.15 2vnt s ARG 72 CO 0.02 -0.03 0.99 -1.13 -0.81 0.00 0.00 175.30 174.33 2vnt n SER 73 N 4.12 2.28 -4.15 -2.12 3.41 -1.26 -4.73 113.62 111.16 2vnt n SER 73 Ca -0.20 -1.63 -0.24 0.00 -0.26 0.00 0.00 58.87 56.54 2vnt n SER 73 Cb 0.51 -0.05 -0.15 0.00 -0.26 0.00 0.00 64.21 64.26 2vnt n SER 73 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2vnt s ARG 74 N -1.08 1.36 0.03 4.33 0.52 -1.26 -1.50 118.95 121.35 2vnt s ARG 74 Ca 0.18 -0.59 -0.25 0.00 -0.52 0.00 0.00 55.73 54.55 2vnt s ARG 74 Cb 0.12 -1.30 -0.18 0.00 0.52 0.00 0.00 34.95 34.11 2vnt s ARG 74 CO 0.17 0.34 1.47 1.25 0.02 0.00 0.00 175.30 178.55 2vnt h LEU 75 N 5.77 -0.07 -2.85 2.53 5.85 -1.12 -3.36 115.31 122.06 2vnt h LEU 75 Ca -0.36 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.13 2vnt h LEU 75 Cb 1.15 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2vnt h LEU 75 CO 0.48 0.19 -0.07 0.59 -0.34 0.00 0.00 178.44 179.30 2vnt n ASN 76 N -5.01 2.01 -4.05 1.25 3.02 -1.26 -4.99 115.26 106.22 2vnt n ASN 76 Ca -0.08 -2.87 -0.10 0.00 -0.03 0.00 0.00 54.58 51.50 2vnt n ASN 76 Cb 0.17 -0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 2vnt n ASN 76 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2vnt s SER 77 N -2.51 -0.03 0.45 6.41 1.04 -1.26 -5.16 113.70 112.64 2vnt s SER 77 Ca 0.26 -1.05 -0.18 0.00 0.48 0.00 0.00 55.95 55.46 2vnt s SER 77 Cb 0.23 0.53 -0.09 0.00 0.10 0.00 0.00 66.02 66.79 2vnt s SER 77 CO 0.02 -1.06 0.92 0.20 0.98 0.00 0.00 173.24 174.31 2vnt s ASN 78 N -3.06 6.75 -0.07 7.02 0.01 -1.26 -4.51 114.94 119.83 2vnt s ASN 78 Ca 0.27 1.54 0.05 0.00 -0.71 0.00 0.00 52.86 54.01 2vnt s ASN 78 Cb 0.01 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 2vnt s ASN 78 CO 0.10 -0.44 -0.23 -0.89 -1.51 0.00 0.00 177.10 174.13 2vnt s THR 79 N -2.36 2.22 -0.13 1.60 2.01 -1.26 -4.89 115.64 112.83 2vnt s THR 79 Ca 0.59 -1.00 -0.33 0.00 0.31 0.00 0.00 61.69 61.26 2vnt s THR 79 Cb -0.10 -1.83 -0.11 0.00 0.01 0.00 0.00 72.50 70.48 2vnt s THR 79 CO 0.23 0.57 1.97 0.00 -0.69 0.00 0.00 174.62 176.69 2vnt n GLN 80 N 3.05 2.07 0.00 4.92 3.00 -1.26 -1.60 117.38 127.55 2vnt n GLN 80 Ca -0.18 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 2vnt n GLN 80 Cb 0.52 -2.73 0.00 0.00 0.00 0.00 0.00 30.24 28.04 2vnt n GLN 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2vnt n GLY 81 N 4.86 2.21 3.51 1.08 0.00 -1.26 -5.02 105.19 110.56 2vnt n GLY 81 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 2vnt n GLY 81 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2vnt n GLU 82 N -1.57 0.57 -4.60 1.61 0.28 -0.63 -4.87 120.64 111.43 2vnt n GLU 82 Ca 0.00 0.23 -0.24 0.00 -0.16 0.00 0.00 57.16 56.98 2vnt n GLU 82 Cb 0.00 -1.87 -0.16 0.00 1.43 0.00 0.00 31.44 30.83 2vnt n GLU 82 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2vnt s MET 83 N -2.45 1.66 0.06 3.44 -1.94 0.15 -4.95 119.30 115.27 2vnt s MET 83 Ca 0.71 -0.43 -0.10 0.00 -1.71 0.00 0.00 55.69 54.16 2vnt s MET 83 Cb -0.41 -1.39 -0.06 0.00 2.01 0.00 0.00 34.83 34.98 2vnt s MET 83 CO 0.52 0.06 0.37 0.21 -0.01 0.00 0.00 175.02 176.18 2vnt s LYS 84 N 0.55 3.73 0.05 2.03 2.20 -1.26 -1.07 119.74 125.97 2vnt s LYS 84 Ca -0.12 0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.63 2vnt s LYS 84 Cb -0.15 -3.03 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 2vnt s LYS 84 CO 0.03 0.59 -0.05 -0.06 -0.36 0.00 0.00 175.35 175.50 2vnt s PHE 85 N -1.36 0.58 0.38 4.03 0.08 0.11 -4.54 117.98 117.27 2vnt s PHE 85 Ca 0.31 -0.78 0.07 0.00 0.12 0.00 0.00 56.93 56.66 2vnt s PHE 85 Cb -0.14 -0.37 0.00 0.00 -0.57 0.00 0.00 43.02 41.94 2vnt s PHE 85 CO 0.17 -0.21 0.51 -1.21 -0.10 0.00 0.00 175.22 174.38 2vnt s GLU 86 N -2.79 2.93 -0.30 0.44 2.02 0.49 -1.69 118.70 119.81 2vnt s GLU 86 Ca -0.01 -1.16 -0.07 0.00 0.02 0.00 0.00 54.97 53.75 2vnt s GLU 86 Cb -0.01 -2.76 0.01 0.00 0.10 0.00 0.00 34.13 31.47 2vnt s GLU 86 CO -0.04 -0.12 0.08 0.08 0.02 0.00 0.00 175.26 175.28 2vnt s VAL 87 N -2.28 3.96 -0.21 2.63 1.01 -1.26 -2.62 120.40 121.64 2vnt s VAL 87 Ca 0.50 -0.72 0.20 0.00 0.00 0.00 0.00 61.98 61.97 2vnt s VAL 87 Cb -0.09 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 2vnt s VAL 87 CO 0.32 0.06 1.03 -0.33 0.00 0.00 0.00 175.10 176.18 2vnt h GLU 88 N 8.23 0.00 -2.43 2.72 4.39 -1.21 -3.42 114.58 122.87 2vnt h GLU 88 Ca -0.31 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.32 2vnt h GLU 88 Cb 1.12 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.51 2vnt h GLU 88 CO 0.60 0.12 -0.31 1.21 -1.16 0.00 0.00 179.01 179.47 2vnt s ASN 89 N -5.61 -0.44 -0.41 1.42 3.04 -1.24 -4.98 114.94 106.73 2vnt s ASN 89 Ca -0.01 1.09 -0.09 0.00 0.04 0.00 0.00 52.86 53.90 2vnt s ASN 89 Cb 0.09 1.46 0.07 0.00 -1.54 0.00 0.00 41.25 41.33 2vnt s ASN 89 CO 0.79 -0.23 0.24 -0.22 -3.04 0.00 0.00 177.10 174.64 2vnt s LEU 90 N 2.53 5.06 -0.25 3.21 2.96 -1.26 -0.90 118.68 130.02 2vnt s LEU 90 Ca -0.03 -1.45 -0.06 0.00 -0.22 0.00 0.00 54.13 52.37 2vnt s LEU 90 Cb -0.11 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 2vnt s LEU 90 CO -0.14 -0.51 0.03 -0.51 -1.32 0.00 0.00 176.35 173.90 2vnt s ILE 91 N 1.43 3.89 0.13 6.68 2.07 0.25 -4.96 121.20 130.68 2vnt s ILE 91 Ca 0.03 -0.43 0.02 0.00 -1.41 0.00 0.00 60.65 58.86 2vnt s ILE 91 Cb -0.22 -2.86 -0.04 0.00 0.13 0.00 0.00 42.46 39.47 2vnt s ILE 91 CO 0.02 0.30 0.27 -0.76 -1.91 0.00 0.00 174.94 172.85 2vnt s LEU 92 N 1.54 4.33 -0.05 8.50 1.02 -1.26 -1.21 118.68 131.55 2vnt s LEU 92 Ca 0.05 0.19 -0.27 0.00 0.02 0.00 0.00 54.13 54.11 2vnt s LEU 92 Cb -0.15 -2.91 -0.03 0.00 0.02 0.00 0.00 46.19 43.12 2vnt s LEU 92 CO 0.01 0.08 0.88 -2.28 0.02 0.00 0.00 176.35 175.05 2vnt s HIS 93 N -1.69 3.59 0.43 0.29 2.46 -1.20 -4.93 115.29 114.24 2vnt s HIS 93 Ca 0.35 1.50 0.13 0.00 0.47 0.00 0.00 55.06 57.51 2vnt s HIS 93 Cb -0.11 -3.02 0.94 0.00 -0.13 0.00 0.00 32.58 30.26 2vnt s HIS 93 CO 0.28 -0.03 1.97 0.87 -2.47 0.00 0.00 174.74 175.36 2vnt h LYS 94 N 6.88 0.04 -0.64 2.88 6.56 -1.93 -1.03 116.57 129.33 2vnt h LYS 94 Ca -0.39 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.19 2vnt h LYS 94 Cb 1.20 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2vnt h LYS 94 CO 0.77 0.23 0.00 -0.25 -2.06 0.00 0.00 179.45 178.14 2vnt n ASP 95 N -4.30 4.48 -4.67 0.86 8.00 -1.26 -4.96 116.55 114.69 2vnt n ASP 95 Ca -0.02 -2.52 -0.46 0.00 0.71 0.00 0.00 54.79 52.50 2vnt n ASP 95 Cb 0.26 -0.58 -0.04 0.00 -0.02 0.00 0.00 41.12 40.74 2vnt n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vnt n TYR 96 N 0.82 2.32 -4.13 1.24 9.36 -0.39 -4.61 117.16 121.77 2vnt n TYR 96 Ca 0.23 0.21 -0.11 0.00 3.32 0.00 0.00 57.90 61.54 2vnt n TYR 96 Cb 0.88 -2.57 -0.08 0.00 -0.63 0.00 0.00 39.34 36.94 2vnt n TYR 96 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2vnt s SER 97 N 1.37 0.12 -0.04 2.98 1.04 -0.96 -5.01 113.70 113.21 2vnt s SER 97 Ca 0.80 -1.23 -0.29 0.00 0.48 0.00 0.00 55.95 55.71 2vnt s SER 97 Cb -0.66 0.47 0.09 0.00 0.10 0.00 0.00 66.02 66.02 2vnt s SER 97 CO 0.39 -0.97 0.79 0.00 0.98 0.00 0.00 173.24 174.44 2vnt s ALA 98 N -4.06 -1.80 0.00 5.32 0.00 -1.26 0.14 121.76 120.10 2vnt s ALA 98 Ca 0.33 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.48 2vnt s ALA 98 Cb 0.04 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.19 2vnt s ALA 98 CO 0.12 -0.48 0.00 -0.40 0.00 0.00 0.00 175.76 174.99 2vnt n ASP 99 N 0.42 0.00 0.18 0.00 3.85 -0.68 -5.00 116.55 115.32 2vnt n ASP 99 Ca -0.14 0.00 0.13 0.00 -0.71 0.00 0.00 54.79 54.07 2vnt n ASP 99 Cb 0.60 0.00 0.32 0.00 -1.35 0.00 0.00 41.12 40.69 2vnt n ASP 99 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 2vnt h THR 100 N 0.00 0.00 0.00 2.12 1.35 -2.06 -3.43 112.91 110.89 2vnt h THR 100 Ca 0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 2vnt h THR 100 Cb 0.00 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2vnt h THR 100 CO 0.00 0.00 0.00 -0.11 -0.25 0.00 0.00 175.52 175.16 2vnt n LEU 101 N -2.74 0.47 -4.75 3.87 0.00 -1.26 -5.09 117.00 107.50 2vnt n LEU 101 Ca 0.04 0.13 -0.40 0.00 0.00 0.00 0.00 56.01 55.78 2vnt n LEU 101 Cb 0.45 -0.09 -0.05 0.00 0.00 0.00 0.00 43.42 43.73 2vnt n LEU 101 CO 0.31 -0.66 0.72 0.00 0.00 0.00 0.00 177.39 177.76 2vnt s ALA 102 N -2.00 3.35 -0.11 1.96 0.00 -1.26 -4.73 121.76 118.97 2vnt s ALA 102 Ca 0.00 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 52.67 2vnt s ALA 102 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 2vnt s ALA 102 CO 0.00 0.01 -0.05 -1.01 0.00 0.00 0.00 175.76 174.71 2vnt s HIS 103 N -0.90 3.01 0.12 0.00 3.76 -1.26 -1.69 115.29 118.33 2vnt s HIS 103 Ca 0.44 -0.12 0.06 0.00 -0.15 0.00 0.00 55.06 55.29 2vnt s HIS 103 Cb -0.28 -1.84 -0.04 0.00 1.11 0.00 0.00 32.58 31.53 2vnt s HIS 103 CO 0.35 0.17 0.00 -1.01 -0.85 0.00 0.00 174.74 173.40 2vnt s HIS 104 N -0.24 2.95 -1.72 1.40 3.76 0.12 -4.65 115.29 116.91 2vnt s HIS 104 Ca 0.04 -0.06 -0.20 0.00 -0.15 0.00 0.00 55.06 54.69 2vnt s HIS 104 Cb -0.13 -1.49 0.18 0.00 1.11 0.00 0.00 32.58 32.25 2vnt s HIS 104 CO 0.02 0.49 0.74 0.09 -0.85 0.00 0.00 174.74 175.23 2vnt n ASN 105 N 0.35 -3.02 -4.54 1.40 3.02 -1.26 -2.26 115.26 108.95 2vnt n ASN 105 Ca -0.10 -1.03 -0.43 0.00 -0.03 0.00 0.00 54.58 52.98 2vnt n ASN 105 Cb 0.53 -2.50 -0.00 0.00 -0.61 0.00 0.00 39.78 37.19 2vnt n ASN 105 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2vnt s ASP 106 N -3.24 6.87 -0.17 6.41 2.15 -1.26 -4.44 116.67 122.99 2vnt s ASP 106 Ca 0.76 -2.50 -0.11 0.00 0.43 0.00 0.00 52.55 51.12 2vnt s ASP 106 Cb -0.42 -2.51 0.06 0.00 -0.30 0.00 0.00 42.92 39.74 2vnt s ASP 106 CO 0.93 -1.07 0.43 -0.51 -0.17 0.00 0.00 175.17 174.78 2vnt s ILE 107 N 3.40 -0.02 0.06 4.11 2.07 -1.26 -4.31 121.20 125.25 2vnt s ILE 107 Ca 0.49 0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.81 2vnt s ILE 107 Cb 0.01 -0.62 -0.03 0.00 0.13 0.00 0.00 42.46 41.94 2vnt s ILE 107 CO 0.03 0.03 -0.06 0.00 -1.91 0.00 0.00 174.94 173.03 2vnt s ALA 108 N 1.15 0.67 -0.09 1.50 0.00 -0.10 -3.24 121.76 121.66 2vnt s ALA 108 Ca -0.07 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.83 2vnt s ALA 108 Cb -0.07 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.21 2vnt s ALA 108 CO -0.10 -0.21 -0.21 -0.51 0.00 0.00 0.00 175.76 174.74 2vnt s LEU 109 N -2.48 1.96 -0.15 0.00 1.43 -0.35 -0.96 118.68 118.13 2vnt s LEU 109 Ca 0.02 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 2vnt s LEU 109 Cb 0.01 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 45.00 2vnt s LEU 109 CO -0.04 0.13 -0.20 -0.76 0.23 0.00 0.00 176.35 175.70 2vnt s LEU 110 N 0.38 2.18 -0.23 1.79 1.02 0.79 -0.58 118.68 124.04 2vnt s LEU 110 Ca -0.16 -0.59 -0.18 0.00 0.02 0.00 0.00 54.13 53.22 2vnt s LEU 110 Cb -0.17 -1.48 -0.03 0.00 0.02 0.00 0.00 46.19 44.53 2vnt s LEU 110 CO 0.07 0.06 0.49 -0.75 0.02 0.00 0.00 176.35 176.24 2vnt s LYS 111 N 0.92 4.13 0.30 1.70 2.20 -0.08 -0.20 119.74 128.71 2vnt s LYS 111 Ca -0.04 0.32 0.07 0.00 -0.36 0.00 0.00 55.97 55.96 2vnt s LYS 111 Cb -0.15 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 2vnt s LYS 111 CO -0.04 -0.22 0.27 0.96 -0.36 0.00 0.00 175.35 175.96 2vnt s ILE 112 N 1.87 4.05 -0.30 5.43 -4.36 0.60 -0.65 121.20 127.85 2vnt s ILE 112 Ca 0.22 -1.34 -0.24 0.00 -0.26 0.00 0.00 60.65 59.03 2vnt s ILE 112 Cb -0.15 -3.33 0.18 0.00 1.25 0.00 0.00 42.46 40.41 2vnt s ILE 112 CO 0.09 -0.26 1.36 -0.60 0.24 0.00 0.00 174.94 175.77 2vnt s ARG 113 N -3.94 0.13 0.85 0.37 3.52 -1.08 -4.81 118.95 114.00 2vnt s ARG 113 Ca 0.37 0.17 -0.09 0.00 -0.13 0.00 0.00 55.73 56.05 2vnt s ARG 113 Cb -0.07 0.06 0.16 0.00 -1.56 0.00 0.00 34.95 33.54 2vnt s ARG 113 CO 0.26 -0.02 1.17 -1.54 -0.81 0.00 0.00 175.30 174.37 2vnt s SER 114 N 0.17 3.72 0.24 -2.12 1.04 -0.53 -0.37 113.70 115.84 2vnt s SER 114 Ca 0.05 0.00 -0.05 0.00 0.48 0.00 0.00 55.95 56.43 2vnt s SER 114 Cb -0.05 -0.21 0.38 0.00 0.10 0.00 0.00 66.02 66.24 2vnt s SER 114 CO -0.14 -2.31 1.81 0.07 0.98 0.00 0.00 173.24 173.65 2vnt h LYS 115 N -1.12 0.75 -0.52 4.02 2.10 -1.91 -0.86 116.57 119.03 2vnt h LYS 115 Ca -0.41 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2vnt h LYS 115 Cb 1.25 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2vnt h LYS 115 CO 0.40 0.50 0.00 0.39 -2.00 0.00 0.00 179.45 178.73 2vnt n GLU 116 N -4.75 1.45 -0.93 0.07 1.02 -1.26 -4.89 120.64 111.35 2vnt n GLU 116 Ca 0.13 -0.47 0.00 0.00 -0.02 0.00 0.00 57.16 56.80 2vnt n GLU 116 Cb 0.27 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2vnt n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vnt n GLY 117 N 0.40 0.39 3.83 0.62 0.00 -0.33 -5.01 105.19 105.10 2vnt n GLY 117 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2vnt n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vnt s ARG 118 N -0.69 4.16 0.70 1.61 0.52 -1.26 -4.70 118.95 119.29 2vnt s ARG 118 Ca 0.00 0.90 -0.09 0.00 -0.52 0.00 0.00 55.73 56.02 2vnt s ARG 118 Cb 0.00 -2.43 0.16 0.00 0.52 0.00 0.00 34.95 33.20 2vnt s ARG 118 CO 0.00 0.13 0.96 0.00 0.02 0.00 0.00 175.30 176.41 2vnt s ALA 120 N -3.72 3.39 -0.02 0.00 0.00 -0.28 -4.90 121.76 116.21 2vnt s ALA 120 Ca 0.57 1.31 0.06 0.00 0.00 0.00 0.00 51.96 53.89 2vnt s ALA 120 Cb -0.02 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 2vnt s ALA 120 CO 0.39 -0.83 -0.19 -0.65 0.00 0.00 0.00 175.76 174.48 2vnt s GLN 121 N -2.09 1.68 0.72 0.00 -0.21 -1.26 -4.72 119.66 113.79 2vnt s GLN 121 Ca 0.54 -0.68 -0.16 0.00 0.02 0.00 0.00 55.36 55.08 2vnt s GLN 121 Cb -0.40 -1.56 0.03 0.00 1.00 0.00 0.00 33.01 32.07 2vnt s GLN 121 CO 0.53 0.37 1.24 -0.35 -2.12 0.00 0.00 175.29 174.96 2vnt n PRO 122 N 2.77 0.68 -2.40 2.91 -0.04 -1.26 -4.83 135.00 132.82 2vnt n PRO 122 Ca -0.16 0.30 -0.03 0.00 -0.04 0.00 0.00 63.50 63.57 2vnt n PRO 122 Cb 0.53 -2.48 0.01 0.00 -0.04 0.00 0.00 33.50 31.53 2vnt n PRO 122 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2vnt n SER 123 N -2.49 -0.95 0.13 3.54 3.41 -0.89 -4.92 113.62 111.44 2vnt n SER 123 Ca 0.15 -1.60 0.13 0.00 -0.26 0.00 0.00 58.87 57.28 2vnt n SER 123 Cb 0.49 1.57 0.46 0.00 -0.26 0.00 0.00 64.21 66.47 2vnt n SER 123 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2vnt n ARG 124 N -0.29 0.23 0.00 4.33 1.85 -1.26 -3.17 116.66 118.36 2vnt n ARG 124 Ca -0.03 0.35 0.08 0.00 -1.00 0.00 0.00 57.85 57.25 2vnt n ARG 124 Cb 0.27 -1.86 -0.00 0.00 -1.05 0.00 0.00 32.46 29.82 2vnt n ARG 124 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2vnt n THR 125 N -2.28 0.00 -3.68 8.89 -2.24 -1.26 -4.57 114.28 109.13 2vnt n THR 125 Ca 0.03 -0.33 -0.25 0.00 -2.27 0.00 0.00 64.05 61.24 2vnt n THR 125 Cb 0.31 1.19 -0.17 0.00 -2.10 0.00 0.00 70.33 69.57 2vnt n THR 125 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2vnt s ILE 126 N -1.94 0.16 0.18 2.28 1.01 -1.19 -3.78 121.20 117.91 2vnt s ILE 126 Ca 0.14 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 2vnt s ILE 126 Cb 0.13 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.97 2vnt s ILE 126 CO 0.42 -0.09 0.26 -1.58 0.00 0.00 0.00 174.94 173.95 2vnt s GLN 127 N 2.04 1.19 0.19 2.79 2.00 -0.71 -2.09 119.66 125.06 2vnt s GLN 127 Ca 0.02 -1.28 0.01 0.00 -2.00 0.00 0.00 55.36 52.11 2vnt s GLN 127 Cb -0.15 0.36 -0.04 0.00 0.80 0.00 0.00 33.01 33.98 2vnt s GLN 127 CO -0.07 -0.43 0.36 0.95 -0.50 0.00 0.00 175.29 175.60 2vnt s THR 128 N -4.01 5.24 0.27 -0.34 -4.23 -1.26 -3.50 115.64 107.81 2vnt s THR 128 Ca 0.22 -0.50 0.02 0.00 -1.18 0.00 0.00 61.69 60.25 2vnt s THR 128 Cb 0.04 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.10 2vnt s THR 128 CO 0.03 -0.17 0.43 0.27 -0.54 0.00 0.00 174.62 174.64 2vnt s ILE 129 N -1.85 5.20 0.11 2.99 -5.25 -0.64 -0.51 121.20 121.25 2vnt s ILE 129 Ca 0.37 -0.69 -0.25 0.00 -0.99 0.00 0.00 60.65 59.09 2vnt s ILE 129 Cb -0.11 -3.84 -0.07 0.00 2.95 0.00 0.00 42.46 41.40 2vnt s ILE 129 CO 0.29 -0.38 0.77 0.00 -1.79 0.00 0.00 174.94 173.84 2vnt s LEU 131 N -0.66 3.96 1.00 0.00 1.43 -1.26 -0.35 118.68 122.79 2vnt s LEU 131 Ca 0.37 2.14 -0.12 0.00 -1.03 0.00 0.00 54.13 55.49 2vnt s LEU 131 Cb -0.22 -4.35 0.19 0.00 0.03 0.00 0.00 46.19 41.83 2vnt s LEU 131 CO 0.25 -0.85 1.08 -2.16 0.23 0.00 0.00 176.35 174.90 2vnt s PRO 132 N -2.86 0.44 0.10 1.29 0.04 -1.26 -4.80 135.00 127.95 2vnt s PRO 132 Ca 0.65 0.82 0.04 0.00 0.04 0.00 0.00 61.00 62.54 2vnt s PRO 132 Cb -0.24 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2vnt s PRO 132 CO 0.29 -2.80 0.08 -1.54 0.04 0.00 0.00 177.00 173.07 2vnt s SER 133 N -3.12 5.46 0.33 6.66 1.04 -1.26 -4.95 113.70 117.86 2vnt s SER 133 Ca 0.66 -0.07 -0.29 0.00 0.48 0.00 0.00 55.95 56.73 2vnt s SER 133 Cb -0.20 -1.43 -0.11 0.00 0.10 0.00 0.00 66.02 64.37 2vnt s SER 133 CO 0.59 0.14 1.52 -0.32 0.98 0.00 0.00 173.24 176.16 2vnt s MET 134 N -2.58 4.13 -0.18 4.02 1.75 -1.26 -3.71 119.30 121.47 2vnt s MET 134 Ca 0.29 2.54 0.00 0.00 -1.25 0.00 0.00 55.69 57.28 2vnt s MET 134 Cb -0.12 -3.00 0.00 0.00 2.84 0.00 0.00 34.83 34.55 2vnt s MET 134 CO 0.22 -0.55 0.00 0.66 -0.65 0.00 0.00 175.02 174.69 2vnt n TYR 135 N 1.32 0.00 -3.18 4.11 0.53 -1.26 -4.96 117.16 113.72 2vnt n TYR 135 Ca 0.04 0.00 -0.21 0.00 -1.02 0.00 0.00 57.90 56.72 2vnt n TYR 135 Cb 0.39 -0.85 -0.06 0.00 -1.03 0.00 0.00 39.34 37.78 2vnt n TYR 135 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 2vnt n ASN 136 N -0.01 -1.04 -4.90 7.72 0.23 -1.24 -5.12 115.26 110.90 2vnt n ASN 136 Ca -0.02 -2.63 -0.28 0.00 -0.53 0.00 0.00 54.58 51.12 2vnt n ASN 136 Cb 0.18 0.03 0.01 0.00 -2.08 0.00 0.00 39.78 37.92 2vnt n ASN 136 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2vnt s ASP 137 N -0.28 6.06 0.94 0.53 1.01 -1.26 -4.74 116.67 118.93 2vnt s ASP 137 Ca 0.33 1.04 -0.11 0.00 0.71 0.00 0.00 52.55 54.52 2vnt s ASP 137 Cb 0.08 -2.18 0.16 0.00 1.01 0.00 0.00 42.92 41.99 2vnt s ASP 137 CO -0.16 -0.81 1.11 -2.16 0.21 0.00 0.00 175.17 173.36 2vnt s PRO 138 N -4.96 0.85 0.59 8.23 0.04 -1.26 -5.00 135.00 133.49 2vnt s PRO 138 Ca 0.52 1.28 -0.09 0.00 0.04 0.00 0.00 61.00 62.74 2vnt s PRO 138 Cb -0.11 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 2vnt s PRO 138 CO 0.48 -2.66 0.96 -0.65 0.04 0.00 0.00 177.00 175.17 2vnt s GLN 139 N -4.68 3.44 0.41 4.56 -1.52 -1.26 -4.99 119.66 115.62 2vnt s GLN 139 Ca 0.66 0.51 -0.25 0.00 -1.95 0.00 0.00 55.36 54.33 2vnt s GLN 139 Cb -0.22 -2.17 -0.11 0.00 -0.22 0.00 0.00 33.01 30.30 2vnt s GLN 139 CO 0.59 -0.54 1.07 1.97 -0.25 0.00 0.00 175.29 178.13 2vnt n PHE 140 N -2.64 1.40 -0.02 0.91 1.16 -1.26 -2.81 117.46 114.21 2vnt n PHE 140 Ca 0.05 0.56 0.00 0.00 -1.87 0.00 0.00 57.45 56.19 2vnt n PHE 140 Cb 0.55 -2.26 0.00 0.00 -1.61 0.00 0.00 39.48 36.15 2vnt n PHE 140 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2vnt n GLY 141 N 1.10 0.38 3.75 4.97 0.00 0.58 -4.99 105.19 110.98 2vnt n GLY 141 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2vnt n GLY 141 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vnt s THR 142 N -2.13 2.72 0.05 2.61 2.01 -1.12 -4.72 115.64 115.06 2vnt s THR 142 Ca 0.00 0.63 -0.27 0.00 0.31 0.00 0.00 61.69 62.36 2vnt s THR 142 Cb 0.00 -3.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2vnt s THR 142 CO 0.00 0.11 0.85 -0.44 -0.69 0.00 0.00 174.62 174.45 2vnt s SER 143 N 0.15 7.30 0.07 3.53 0.01 -1.26 -0.87 113.70 122.64 2vnt s SER 143 Ca 0.56 1.56 -0.01 0.00 1.31 0.00 0.00 55.95 59.38 2vnt s SER 143 Cb -0.41 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.27 2vnt s SER 143 CO 0.45 -0.06 -0.01 0.00 0.41 0.00 0.00 173.24 174.04 2vnt s GLU 145 N -3.95 2.62 0.08 0.00 -1.05 -0.36 -1.69 118.70 114.36 2vnt s GLU 145 Ca 0.11 -0.69 0.08 0.00 -0.15 0.00 0.00 54.97 54.32 2vnt s GLU 145 Cb 0.08 -2.42 -0.04 0.00 -0.44 0.00 0.00 34.13 31.32 2vnt s GLU 145 CO -0.07 0.57 -0.18 0.96 0.95 0.00 0.00 175.26 177.49 2vnt s ILE 146 N -0.59 2.80 -0.01 1.83 -4.36 -0.51 -1.25 121.20 119.11 2vnt s ILE 146 Ca 0.08 -1.34 -0.02 0.00 -0.26 0.00 0.00 60.65 59.11 2vnt s ILE 146 Cb -0.11 -2.23 -0.00 0.00 1.25 0.00 0.00 42.46 41.37 2vnt s ILE 146 CO 0.01 0.22 0.04 0.42 0.24 0.00 0.00 174.94 175.87 2vnt s THR 147 N -1.03 0.03 0.00 8.37 -4.23 -1.25 -1.37 115.64 116.17 2vnt s THR 147 Ca 0.16 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 2vnt s THR 147 Cb -0.11 -0.15 0.00 0.00 1.34 0.00 0.00 72.50 73.58 2vnt s THR 147 CO 0.07 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 2vnt n GLY 148 N 2.57 -0.59 0.89 3.99 0.00 -0.85 -4.33 105.19 106.89 2vnt n GLY 148 Ca -0.16 -1.02 0.05 0.00 0.00 0.00 0.00 46.02 44.89 2vnt n GLY 148 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2vnt n PHE 149 N -0.20 0.72 -1.03 1.61 3.72 -1.26 -2.77 117.46 118.25 2vnt n PHE 149 Ca 0.00 -0.29 -0.29 0.00 -0.05 0.00 0.00 57.45 56.82 2vnt n PHE 149 Cb 0.00 -0.14 0.21 0.00 -0.94 0.00 0.00 39.48 38.61 2vnt n PHE 149 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2vnt s GLY 150 N -0.71 1.55 0.55 1.37 0.00 -1.25 -4.07 107.32 104.77 2vnt s GLY 150 Ca 0.25 -0.48 -0.21 0.00 0.00 0.00 0.00 44.72 44.28 2vnt s GLY 150 CO 0.12 0.22 1.20 0.28 0.00 0.00 0.00 173.10 174.93 2vnt n LYS 151 N -4.48 1.40 0.06 2.90 5.02 0.15 -3.08 118.16 120.13 2vnt n LYS 151 Ca 0.06 0.52 0.12 0.00 -2.02 0.00 0.00 58.31 56.99 2vnt n LYS 151 Cb 0.57 -2.39 0.07 0.00 -0.02 0.00 0.00 35.03 33.26 2vnt n LYS 151 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2vnt n GLU 152 N -0.91 0.40 -3.73 1.97 1.02 -1.25 -0.98 120.64 117.16 2vnt n GLU 152 Ca 0.11 0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 57.19 2vnt n GLU 152 Cb 0.45 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 2vnt n GLU 152 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2vnt s ASN 153 N -4.50 -0.40 0.47 1.62 2.47 -1.26 -4.25 114.94 109.08 2vnt s ASN 153 Ca 0.03 0.71 0.31 0.00 0.42 0.00 0.00 52.86 54.33 2vnt s ASN 153 Cb 0.12 0.75 1.39 0.00 -1.45 0.00 0.00 41.25 42.06 2vnt s ASN 153 CO 0.77 -0.22 1.94 0.77 -3.72 0.00 0.00 177.10 176.64 2vnt h SER 154 N 5.08 0.00 0.63 -4.21 4.64 -1.89 -2.53 113.55 115.27 2vnt h SER 154 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2vnt h SER 154 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2vnt h SER 154 CO 0.28 0.00 -0.46 0.35 -0.87 0.00 0.00 176.83 176.12 2vnt n THR 155 N -2.79 0.06 -1.86 2.95 -2.24 -1.26 -4.92 114.28 104.22 2vnt n THR 155 Ca 0.00 -0.05 -0.37 0.00 -2.27 0.00 0.00 64.05 61.36 2vnt n THR 155 Cb 0.24 0.09 0.04 0.00 -2.10 0.00 0.00 70.33 68.60 2vnt n THR 155 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2vnt s ASP 156 N -3.22 5.13 0.00 3.42 1.01 -0.96 -4.94 116.67 117.11 2vnt s ASP 156 Ca 0.10 2.61 0.14 0.00 0.71 0.00 0.00 52.55 56.12 2vnt s ASP 156 Cb 0.17 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 2vnt s ASP 156 CO 0.68 -1.65 0.73 0.00 0.21 0.00 0.00 175.17 175.15 2vnt n TYR 157 N -1.35 0.00 -4.16 4.23 4.11 -1.26 -4.98 117.16 113.75 2vnt n TYR 157 Ca 0.12 0.00 -0.34 0.00 -0.00 0.00 0.00 57.90 57.68 2vnt n TYR 157 Cb 0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.73 2vnt n TYR 157 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2vnt s LEU 158 N -2.07 3.87 0.13 -3.48 1.02 -1.26 -5.13 118.68 111.75 2vnt s LEU 158 Ca 0.10 0.19 0.03 0.00 0.02 0.00 0.00 54.13 54.48 2vnt s LEU 158 Cb 0.11 -2.09 -0.04 0.00 0.02 0.00 0.00 46.19 44.19 2vnt s LEU 158 CO 0.40 0.33 0.18 -0.31 0.02 0.00 0.00 176.35 176.97 2vnt s TYR 159 N -1.07 3.32 0.33 0.29 2.02 -1.26 -4.68 117.35 116.29 2vnt s TYR 159 Ca 0.19 0.08 -0.29 0.00 -0.37 0.00 0.00 57.07 56.68 2vnt s TYR 159 Cb -0.12 -1.62 -0.10 0.00 -0.40 0.00 0.00 41.96 39.72 2vnt s TYR 159 CO 0.09 0.53 1.31 -1.25 -1.57 0.00 0.00 175.55 174.65 2vnt s PRO 160 N -2.94 4.36 0.43 -1.71 0.04 -1.26 -4.91 135.00 129.02 2vnt s PRO 160 Ca 0.32 2.21 0.12 0.00 0.04 0.00 0.00 61.00 63.69 2vnt s PRO 160 Cb -0.11 -3.07 1.00 0.00 0.04 0.00 0.00 34.50 32.35 2vnt s PRO 160 CO 0.25 -0.19 2.02 0.93 0.04 0.00 0.00 177.00 180.06 2vnt h GLU 161 N 3.44 0.41 -6.20 4.56 5.08 -1.97 -3.42 114.58 116.47 2vnt h GLU 161 Ca -0.49 -0.02 -0.69 0.00 -1.00 0.00 0.00 59.36 57.16 2vnt h GLU 161 Cb 1.23 -0.09 -0.29 0.00 0.50 0.00 0.00 28.75 30.09 2vnt h GLU 161 CO 0.66 0.27 -0.86 -1.14 -1.00 0.00 0.00 179.01 176.94 2vnt s GLN 162 N -5.39 2.47 0.40 2.33 2.00 -1.26 -0.61 119.66 119.60 2vnt s GLN 162 Ca -0.08 -0.86 -0.23 0.00 -2.00 0.00 0.00 55.36 52.20 2vnt s GLN 162 Cb 0.19 -2.20 -0.13 0.00 0.80 0.00 0.00 33.01 31.67 2vnt s GLN 162 CO 0.74 0.47 0.64 -0.11 -0.50 0.00 0.00 175.29 176.52 2vnt n LEU 163 N 2.71 0.39 -4.18 3.68 7.94 -0.56 -4.83 117.00 122.15 2vnt n LEU 163 Ca -0.17 0.95 -0.15 0.00 -1.11 0.00 0.00 56.01 55.53 2vnt n LEU 163 Cb 0.52 -1.15 -0.11 0.00 0.53 0.00 0.00 43.42 43.21 2vnt n LEU 163 CO 0.25 -2.61 -0.43 -0.54 -1.11 0.00 0.00 177.39 172.95 2vnt s LYS 164 N -1.61 0.85 0.12 1.96 1.02 -1.12 -1.08 119.74 119.88 2vnt s LYS 164 Ca 0.63 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 55.51 2vnt s LYS 164 Cb -0.62 -0.62 -0.04 0.00 -0.52 0.00 0.00 37.83 36.03 2vnt s LYS 164 CO 0.58 0.11 -0.01 0.00 -0.92 0.00 0.00 175.35 175.11 2vnt s MET 165 N -2.54 0.89 0.20 1.68 0.23 -0.57 -2.00 119.30 117.19 2vnt s MET 165 Ca 0.04 -1.39 -0.17 0.00 -1.03 0.00 0.00 55.69 53.14 2vnt s MET 165 Cb -0.05 -0.01 0.02 0.00 -1.53 0.00 0.00 34.83 33.27 2vnt s MET 165 CO 0.01 -0.14 0.52 -0.08 -2.03 0.00 0.00 175.02 173.30 2vnt s THR 166 N -3.82 0.02 -0.07 3.16 -1.32 -0.47 -1.18 115.64 111.97 2vnt s THR 166 Ca 0.18 -0.90 -0.00 0.00 -1.21 0.00 0.00 61.69 59.75 2vnt s THR 166 Cb 0.07 -1.69 -0.03 0.00 -1.51 0.00 0.00 72.50 69.33 2vnt s THR 166 CO -0.02 -0.11 -0.03 0.54 -2.21 0.00 0.00 174.62 172.79 2vnt s VAL 167 N -3.90 4.02 0.00 5.08 0.11 -1.26 -1.42 120.40 123.04 2vnt s VAL 167 Ca 0.11 -0.39 -0.03 0.00 -2.93 0.00 0.00 61.98 58.74 2vnt s VAL 167 Cb -0.01 -2.68 -0.01 0.00 -1.53 0.00 0.00 36.38 32.15 2vnt s VAL 167 CO -0.01 0.58 0.05 0.54 -3.33 0.00 0.00 175.10 172.93 2vnt s VAL 168 N -0.87 0.07 -0.02 2.04 0.11 -0.68 -4.81 120.40 116.24 2vnt s VAL 168 Ca 0.14 -0.60 0.03 0.00 -2.93 0.00 0.00 61.98 58.61 2vnt s VAL 168 Cb -0.11 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 2vnt s VAL 168 CO 0.03 -0.33 -0.08 -1.59 -3.33 0.00 0.00 175.10 169.79 2vnt s LYS 169 N -1.04 2.58 0.12 1.54 -2.85 0.24 -0.83 119.74 119.49 2vnt s LYS 169 Ca -0.11 -0.68 -0.33 0.00 -1.00 0.00 0.00 55.97 53.84 2vnt s LYS 169 Cb -0.07 -2.50 -0.13 0.00 -2.06 0.00 0.00 37.83 33.08 2vnt s LYS 169 CO 0.00 0.62 1.69 1.28 0.10 0.00 0.00 175.35 179.04 2vnt n LEU 170 N 1.82 3.41 -4.83 2.77 4.32 -0.05 -1.51 117.00 122.95 2vnt n LEU 170 Ca -0.16 1.05 -0.36 0.00 -0.02 0.00 0.00 56.01 56.51 2vnt n LEU 170 Cb 0.53 -1.45 -0.07 0.00 -1.62 0.00 0.00 43.42 40.80 2vnt n LEU 170 CO 0.29 -0.12 -0.21 -0.63 -1.22 0.00 0.00 177.39 175.50 2vnt s ILE 171 N 1.75 5.17 0.53 -0.08 1.01 0.32 -0.31 121.20 129.60 2vnt s ILE 171 Ca 0.81 0.06 -0.22 0.00 0.00 0.00 0.00 60.65 61.30 2vnt s ILE 171 Cb -0.63 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 2vnt s ILE 171 CO 0.39 0.60 1.30 -0.94 0.00 0.00 0.00 174.94 176.29 2vnt s SER 172 N -1.05 5.44 0.26 3.58 1.04 -1.26 -4.28 113.70 117.43 2vnt s SER 172 Ca 0.15 2.63 -0.01 0.00 0.48 0.00 0.00 55.95 59.20 2vnt s SER 172 Cb -0.12 -2.63 0.51 0.00 0.10 0.00 0.00 66.02 63.89 2vnt s SER 172 CO 0.04 -1.44 1.79 -0.74 0.98 0.00 0.00 173.24 173.87 2vnt h HIS 173 N 1.52 0.87 -0.20 5.02 2.76 -1.95 -1.56 115.15 121.62 2vnt h HIS 173 Ca -0.51 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 57.57 2vnt h HIS 173 Cb 1.29 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 2vnt h HIS 173 CO 0.47 0.28 -0.40 0.00 -1.30 0.00 0.00 177.93 176.98 2vnt h ARG 174 N 0.74 0.46 -0.57 5.26 -0.00 -1.96 -2.33 114.38 115.97 2vnt h ARG 174 Ca 0.46 -0.23 -0.04 0.00 -0.50 0.00 0.00 59.98 59.67 2vnt h ARG 174 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.50 2vnt h ARG 174 CO -0.31 0.79 0.20 1.49 0.00 0.00 0.00 179.97 182.13 2vnt h GLU 175 N 0.38 0.84 0.00 0.04 4.81 -1.81 -3.08 114.58 115.76 2vnt h GLU 175 Ca 0.03 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2vnt h GLU 175 Cb 0.87 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.11 2vnt h GLU 175 CO 0.07 0.70 0.00 0.00 -0.73 0.00 0.00 179.01 179.06 2vnt n GLN 177 N -2.06 2.72 -1.93 0.00 7.27 -0.91 -1.68 117.38 120.80 2vnt n GLN 177 Ca 0.06 -2.33 -0.34 0.00 0.07 0.00 0.00 57.00 54.45 2vnt n GLN 177 Cb 0.39 -1.42 0.03 0.00 2.41 0.00 0.00 30.24 31.65 2vnt n GLN 177 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2vnt s GLN 178 N -1.03 2.96 0.26 3.69 -0.21 -1.11 -3.99 119.66 120.23 2vnt s GLN 178 Ca 0.36 1.53 -0.02 0.00 0.02 0.00 0.00 55.36 57.25 2vnt s GLN 178 Cb 0.19 -1.96 0.52 0.00 1.00 0.00 0.00 33.01 32.76 2vnt s GLN 178 CO 0.25 -1.15 1.72 -1.00 -2.12 0.00 0.00 175.29 172.99 2vnt h PRO 179 N 0.48 0.44 0.00 2.91 0.13 -1.92 -0.66 132.00 133.38 2vnt h PRO 179 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2vnt h PRO 179 Cb 1.26 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2vnt h PRO 179 CO 0.55 0.29 0.00 0.72 -0.23 0.00 0.00 178.00 179.33 2vnt n HIS 180 N -5.00 0.47 0.00 1.56 8.25 -1.26 -4.46 115.22 114.77 2vnt n HIS 180 Ca 0.16 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 2vnt n HIS 180 Cb 0.47 -0.74 0.00 0.00 1.12 0.00 0.00 29.99 30.84 2vnt n HIS 180 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2vnt n TYR 181 N -1.89 0.00 0.01 4.41 4.02 -0.28 -4.72 117.16 118.71 2vnt n TYR 181 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 2vnt n TYR 181 Cb 0.33 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.66 2vnt n TYR 181 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2vnt n TYR 182 N 0.00 0.02 0.00 -0.72 4.01 -0.67 -4.90 117.16 114.90 2vnt n TYR 182 Ca 0.00 -0.25 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 2vnt n TYR 182 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 2vnt n TYR 182 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2vnt n GLY 183 N -0.19 1.33 0.37 2.72 0.00 -1.05 -0.80 105.19 107.57 2vnt n GLY 183 Ca 0.01 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.32 2vnt n GLY 183 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vnt n SER 184 N 1.15 1.11 -0.33 1.61 3.41 -1.26 -3.65 113.62 115.66 2vnt n SER 184 Ca 0.00 -1.55 0.02 0.00 -0.26 0.00 0.00 58.87 57.08 2vnt n SER 184 Cb 0.00 -0.05 0.16 0.00 -0.26 0.00 0.00 64.21 64.06 2vnt n SER 184 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2vnt h GLU 185 N 1.54 1.00 -6.41 4.33 4.39 -1.35 -3.41 114.58 114.67 2vnt h GLU 185 Ca 0.00 -0.06 -0.54 0.00 0.34 0.00 0.00 59.36 59.10 2vnt h GLU 185 Cb 0.33 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2vnt h GLU 185 CO 0.00 0.66 0.45 0.08 -1.16 0.00 0.00 179.01 179.04 2vnt s VAL 186 N -6.04 4.64 0.36 3.13 1.01 -1.24 -4.95 120.40 117.31 2vnt s VAL 186 Ca -0.12 1.90 0.05 0.00 0.00 0.00 0.00 61.98 63.80 2vnt s VAL 186 Cb 0.19 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.40 2vnt s VAL 186 CO 0.80 0.13 0.38 0.35 0.00 0.00 0.00 175.10 176.75 2vnt n THR 187 N 4.01 0.00 1.74 3.92 -2.24 -1.26 -4.99 114.28 115.46 2vnt n THR 187 Ca 0.07 -1.30 0.15 0.00 -2.27 0.00 0.00 64.05 60.70 2vnt n THR 187 Cb 0.49 -0.44 0.73 0.00 -2.10 0.00 0.00 70.33 69.02 2vnt n THR 187 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2vnt n THR 188 N -1.55 0.00 0.17 4.28 -2.24 -1.26 -2.87 114.28 110.81 2vnt n THR 188 Ca 0.04 -0.13 0.10 0.00 -2.27 0.00 0.00 64.05 61.80 2vnt n THR 188 Cb 0.39 0.01 0.27 0.00 -2.10 0.00 0.00 70.33 68.90 2vnt n THR 188 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2vnt n LYS 189 N -0.39 2.38 -4.24 -0.78 2.85 -1.26 -4.92 118.16 111.80 2vnt n LYS 189 Ca 0.21 -2.14 -0.13 0.00 -1.05 0.00 0.00 58.31 55.20 2vnt n LYS 189 Cb 0.24 -1.47 -0.10 0.00 -0.65 0.00 0.00 35.03 33.04 2vnt n LYS 189 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2vnt s MET 190 N -1.27 1.05 0.09 -1.58 -1.94 -1.14 -1.07 119.30 113.44 2vnt s MET 190 Ca 0.40 -1.47 0.06 0.00 -1.71 0.00 0.00 55.69 52.97 2vnt s MET 190 Cb 0.21 -0.42 -0.03 0.00 2.01 0.00 0.00 34.83 36.60 2vnt s MET 190 CO 0.28 -0.02 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.61 2vnt s LEU 191 N -3.15 2.31 -0.08 -0.03 1.02 -0.36 -4.77 118.68 113.62 2vnt s LEU 191 Ca 0.19 -0.67 -0.01 0.00 0.02 0.00 0.00 54.13 53.66 2vnt s LEU 191 Cb 0.05 -0.58 -0.03 0.00 0.02 0.00 0.00 46.19 45.64 2vnt s LEU 191 CO 0.01 -0.07 -0.03 0.00 0.02 0.00 0.00 176.35 176.28 2vnt s ALA 193 N -0.85 -0.07 0.32 0.00 0.00 -0.70 -0.52 121.76 119.93 2vnt s ALA 193 Ca 0.13 0.09 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 2vnt s ALA 193 Cb -0.11 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 22.99 2vnt s ALA 193 CO 0.02 -0.01 0.71 0.00 0.00 0.00 0.00 175.76 176.47 2vnt s ALA 194 N 0.03 -0.86 0.01 0.00 0.00 -0.57 -1.49 121.76 118.88 2vnt s ALA 194 Ca -0.00 -0.58 -0.25 0.00 0.00 0.00 0.00 51.96 51.13 2vnt s ALA 194 Cb -0.00 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.89 2vnt s ALA 194 CO -0.00 -0.99 0.75 0.34 0.00 0.00 0.00 175.76 175.86 2vnt s ASP 195 N -3.00 7.15 0.39 0.00 3.68 -1.24 -0.59 116.67 123.05 2vnt s ASP 195 Ca 0.15 1.37 0.18 0.00 2.13 0.00 0.00 52.55 56.37 2vnt s ASP 195 Cb -0.05 -2.45 1.09 0.00 -1.45 0.00 0.00 42.92 40.06 2vnt s ASP 195 CO 0.09 -0.03 1.75 -0.65 0.13 0.00 0.00 175.17 176.46 2vnt h PRO 196 N 6.02 0.39 -0.02 4.34 0.11 -1.94 -1.18 132.00 139.73 2vnt h PRO 196 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2vnt h PRO 196 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2vnt h PRO 196 CO 0.72 0.26 -0.25 1.04 -0.21 0.00 0.00 178.00 179.56 2vnt n GLN 197 N -4.69 1.35 -3.38 1.05 6.02 -1.26 -4.99 117.38 111.47 2vnt n GLN 197 Ca 0.27 -0.98 -0.21 0.00 -0.01 0.00 0.00 57.00 56.07 2vnt n GLN 197 Cb 0.90 -1.48 0.06 0.00 1.02 0.00 0.00 30.24 30.75 2vnt n GLN 197 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2vnt n TRP 198 N 0.03 -2.41 0.39 1.08 7.02 -0.45 -4.93 117.44 118.17 2vnt n TRP 198 Ca 0.13 0.83 0.08 0.00 -1.02 0.00 0.00 57.50 57.51 2vnt n TRP 198 Cb 0.43 -4.45 -0.11 0.00 -2.42 0.00 0.00 31.31 24.76 2vnt n TRP 198 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2vnt n LYS 199 N -4.31 1.20 -4.09 -0.99 4.76 -1.26 -4.62 118.16 108.84 2vnt n LYS 199 Ca -0.01 -0.07 -0.14 0.00 -2.87 0.00 0.00 58.31 55.23 2vnt n LYS 199 Cb 0.56 -1.31 -0.12 0.00 -1.84 0.00 0.00 35.03 32.32 2vnt n LYS 199 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2vnt s THR 200 N -2.78 0.56 -0.19 -0.18 -1.32 -1.26 -3.95 115.64 106.51 2vnt s THR 200 Ca 0.00 -0.92 -0.36 0.00 -1.21 0.00 0.00 61.69 59.21 2vnt s THR 200 Cb 0.11 -0.59 0.15 0.00 -1.51 0.00 0.00 72.50 70.66 2vnt s THR 200 CO 0.66 -0.27 1.33 -0.62 -2.21 0.00 0.00 174.62 173.51 2vnt s ASP 201 N -1.28 -0.05 0.70 8.08 -1.08 -1.26 -3.71 116.67 118.06 2vnt s ASP 201 Ca -0.07 -0.02 -0.11 0.00 -0.52 0.00 0.00 52.55 51.83 2vnt s ASP 201 Cb -0.08 0.07 0.01 0.00 -1.46 0.00 0.00 42.92 41.46 2vnt s ASP 201 CO 0.00 -0.12 1.06 -0.94 0.52 0.00 0.00 175.17 175.69 2vnt s SER 202 N -2.35 5.39 0.33 -0.34 1.04 -1.26 -1.39 113.70 115.12 2vnt s SER 202 Ca 0.12 1.56 0.03 0.00 0.48 0.00 0.00 55.95 58.14 2vnt s SER 202 Cb 0.01 -2.44 -0.02 0.00 0.10 0.00 0.00 66.02 63.67 2vnt s SER 202 CO -0.04 -1.43 0.35 0.00 0.98 0.00 0.00 173.24 173.10 2vnt n GLN 204 N -0.58 0.65 0.00 0.00 7.27 -1.26 -1.53 117.38 121.93 2vnt n GLN 204 Ca 0.05 0.23 0.00 0.00 0.07 0.00 0.00 57.00 57.35 2vnt n GLN 204 Cb 0.62 -1.78 0.00 0.00 2.41 0.00 0.00 30.24 31.49 2vnt n GLN 204 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2vnt n GLY 205 N 2.04 2.04 0.01 1.69 0.00 -1.26 0.30 105.19 110.01 2vnt n GLY 205 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 2vnt n GLY 205 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vnt n ASP 206 N 0.00 0.56 -4.41 1.61 8.00 -0.59 -3.75 116.55 117.98 2vnt n ASP 206 Ca 0.00 -0.29 -0.45 0.00 0.71 0.00 0.00 54.79 54.76 2vnt n ASP 206 Cb 0.00 0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 41.42 2vnt n ASP 206 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2vnt n SER 207 N -1.57 -1.27 0.00 -2.24 7.64 -1.26 -1.91 113.62 113.02 2vnt n SER 207 Ca 0.05 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.95 2vnt n SER 207 Cb 0.35 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2vnt n SER 207 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vnt n GLY 208 N 1.95 3.00 3.72 0.23 0.00 -0.03 -0.93 105.19 113.14 2vnt n GLY 208 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2vnt n GLY 208 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vnt s GLY 209 N -1.48 1.62 0.12 -0.02 0.00 -0.80 -3.49 107.32 103.26 2vnt s GLY 209 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 44.72 43.73 2vnt s GLY 209 CO 0.00 -0.09 0.52 2.56 0.00 0.00 0.00 173.10 176.08 2vnt s PRO 210 N -5.44 3.96 -0.31 2.90 0.04 -1.26 -1.73 135.00 133.15 2vnt s PRO 210 Ca 0.69 0.45 -0.06 0.00 0.04 0.00 0.00 61.00 62.13 2vnt s PRO 210 Cb -0.10 -2.98 0.03 0.00 0.04 0.00 0.00 34.50 31.48 2vnt s PRO 210 CO 0.55 0.52 0.08 -1.17 0.04 0.00 0.00 177.00 177.01 2vnt s LEU 211 N -1.83 4.02 -0.23 -3.56 0.20 -0.72 -3.77 118.68 112.79 2vnt s LEU 211 Ca 0.35 -0.96 -0.07 0.00 0.69 0.00 0.00 54.13 54.15 2vnt s LEU 211 Cb -0.15 -1.85 -0.03 0.00 -0.43 0.00 0.00 46.19 43.73 2vnt s LEU 211 CO 0.19 -0.25 0.07 -0.69 -0.29 0.00 0.00 176.35 175.37 2vnt s VAL 212 N 1.43 4.45 0.01 1.68 1.01 -0.38 -1.21 120.40 127.38 2vnt s VAL 212 Ca -0.00 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 61.92 2vnt s VAL 212 Cb -0.18 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 2vnt s VAL 212 CO 0.02 0.37 -0.24 0.00 0.00 0.00 0.00 175.10 175.26 2vnt s SER 214 N -0.84 6.79 -0.29 0.00 0.01 -1.26 -0.70 113.70 117.41 2vnt s SER 214 Ca 0.09 0.83 0.03 0.00 1.31 0.00 0.00 55.95 58.21 2vnt s SER 214 Cb -0.09 -2.48 0.07 0.00 0.21 0.00 0.00 66.02 63.73 2vnt s SER 214 CO 0.00 -0.76 -0.06 -0.76 0.41 0.00 0.00 173.24 172.08 2vnt s LEU 215 N 3.33 3.86 -1.42 2.44 1.02 -0.24 -4.65 118.68 123.02 2vnt s LEU 215 Ca 0.39 -1.61 -0.09 0.00 0.02 0.00 0.00 54.13 52.84 2vnt s LEU 215 Cb -0.13 -1.59 0.04 0.00 0.02 0.00 0.00 46.19 44.54 2vnt s LEU 215 CO 0.14 -0.25 0.97 0.00 0.02 0.00 0.00 176.35 177.23 2vnt n GLN 216 N 4.39 -6.05 -0.91 1.70 6.02 -1.26 -1.50 117.38 119.77 2vnt n GLN 216 Ca -0.09 0.68 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 2vnt n GLN 216 Cb 0.42 -5.54 0.00 0.00 1.02 0.00 0.00 30.24 26.14 2vnt n GLN 216 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2vnt n GLY 217 N -1.70 0.40 3.63 1.08 0.00 -1.26 -5.01 105.19 102.33 2vnt n GLY 217 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 2vnt n GLY 217 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vnt s ARG 218 N -0.69 4.03 -0.47 1.61 0.52 -0.56 -5.05 118.95 118.33 2vnt s ARG 218 Ca 0.00 -0.21 -0.29 0.00 -0.52 0.00 0.00 55.73 54.71 2vnt s ARG 218 Cb 0.00 -3.60 0.02 0.00 0.52 0.00 0.00 34.95 31.89 2vnt s ARG 218 CO 0.00 -0.07 1.36 -1.64 0.02 0.00 0.00 175.30 174.96 2vnt s MET 219 N 1.44 3.53 0.08 3.54 -1.94 -1.26 -1.08 119.30 123.61 2vnt s MET 219 Ca 0.09 0.72 0.09 0.00 -1.71 0.00 0.00 55.69 54.88 2vnt s MET 219 Cb -0.15 -4.03 -0.03 0.00 2.01 0.00 0.00 34.83 32.63 2vnt s MET 219 CO 0.08 -1.64 -0.24 -0.08 -0.01 0.00 0.00 175.02 173.13 2vnt s THR 220 N 5.41 1.95 -0.91 2.05 -1.32 0.13 -2.31 115.64 120.64 2vnt s THR 220 Ca 0.56 -1.48 -0.24 0.00 -1.21 0.00 0.00 61.69 59.32 2vnt s THR 220 Cb -0.11 -1.71 0.05 0.00 -1.51 0.00 0.00 72.50 69.21 2vnt s THR 220 CO 0.30 0.15 1.36 -0.22 -2.21 0.00 0.00 174.62 174.01 2vnt s LEU 221 N -1.60 3.49 -0.06 9.08 2.96 0.52 -1.35 118.68 131.72 2vnt s LEU 221 Ca 0.10 -1.12 -0.07 0.00 -0.22 0.00 0.00 54.13 52.83 2vnt s LEU 221 Cb -0.10 -2.55 -0.28 0.00 0.50 0.00 0.00 46.19 43.76 2vnt s LEU 221 CO 0.04 -1.60 0.59 0.74 -1.32 0.00 0.00 176.35 174.80 2vnt h THR 222 N 6.46 0.85 -3.88 3.68 2.02 -1.48 -3.36 112.91 117.20 2vnt h THR 222 Ca 0.02 -2.51 -0.40 0.00 0.77 0.00 0.00 66.41 64.29 2vnt h THR 222 Cb 1.03 2.65 -0.14 0.00 -1.74 0.00 0.00 68.15 69.94 2vnt h THR 222 CO 1.35 0.84 -0.57 -0.83 0.37 0.00 0.00 175.52 176.68 2vnt s GLY 223 N -5.26 1.97 -0.06 2.16 0.00 -1.02 -1.83 107.32 103.30 2vnt s GLY 223 Ca -0.16 -1.77 0.01 0.00 0.00 0.00 0.00 44.72 42.79 2vnt s GLY 223 CO 0.82 -1.59 -0.05 -0.42 0.00 0.00 0.00 173.10 171.86 2vnt s ILE 224 N -3.65 0.62 -0.06 0.90 1.01 -1.02 -1.76 121.20 117.24 2vnt s ILE 224 Ca 0.36 -0.14 -0.35 0.00 0.00 0.00 0.00 60.65 60.52 2vnt s ILE 224 Cb 0.06 -0.65 -0.13 0.00 0.01 0.00 0.00 42.46 41.75 2vnt s ILE 224 CO 0.16 0.26 1.78 0.52 0.00 0.00 0.00 174.94 177.66 2vnt n VAL 225 N 4.26 0.40 0.05 2.92 0.31 -0.70 -0.81 118.33 124.77 2vnt n VAL 225 Ca -0.21 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2vnt n VAL 225 Cb 0.51 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 2vnt n VAL 225 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2vnt n SER 226 N 5.64 0.84 -3.43 4.52 2.88 -0.96 -0.85 113.62 122.26 2vnt n SER 226 Ca 0.22 0.16 -0.06 0.00 -1.33 0.00 0.00 58.87 57.86 2vnt n SER 226 Cb 0.27 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2vnt n SER 226 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2vnt s TRP 227 N -1.86 -0.02 0.00 0.66 1.48 -1.12 -4.90 118.94 113.17 2vnt s TRP 227 Ca 0.00 -0.46 0.00 0.00 -1.06 0.00 0.00 56.10 54.58 2vnt s TRP 227 Cb 0.00 0.74 0.00 0.00 -1.16 0.00 0.00 33.47 33.05 2vnt s TRP 227 CO 0.00 -1.19 0.00 0.41 -4.06 0.00 0.00 176.95 172.11 2vnt n GLY 228 N -0.53 0.97 3.59 3.67 0.00 -1.26 -0.87 105.19 110.75 2vnt n GLY 228 Ca -0.06 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 2vnt n GLY 228 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2vnt s ARG 229 N -2.00 3.89 3.27 1.61 3.00 -1.26 -4.90 118.95 122.56 2vnt s ARG 229 Ca 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 55.73 54.79 2vnt s ARG 229 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 34.95 31.24 2vnt s ARG 229 CO 0.00 -0.44 0.00 0.41 0.00 0.00 0.00 175.30 175.27 2vnt n GLY 230 N 4.62 0.98 3.15 8.12 0.00 -1.26 -4.66 105.19 116.14 2vnt n GLY 230 Ca -0.06 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 2vnt n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vnt n ALA 232 N 5.38 -0.55 -2.54 0.00 0.00 -1.26 -4.85 120.51 116.68 2vnt n ALA 232 Ca -0.07 0.17 -0.37 0.00 0.00 0.00 0.00 53.44 53.17 2vnt n ALA 232 Cb 0.50 -2.42 -0.06 0.00 0.00 0.00 0.00 19.45 17.47 2vnt n ALA 232 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2vnt s LEU 233 N -4.11 4.42 -0.03 0.00 1.43 -1.26 -4.70 118.68 114.44 2vnt s LEU 233 Ca 0.16 0.88 -0.37 0.00 -1.03 0.00 0.00 54.13 53.78 2vnt s LEU 233 Cb -0.07 -2.72 -0.15 0.00 0.03 0.00 0.00 46.19 43.28 2vnt s LEU 233 CO 0.20 0.27 1.58 1.17 0.23 0.00 0.00 176.35 179.80 2vnt n LYS 234 N 1.48 1.48 -1.07 1.70 3.00 -1.26 -1.90 118.16 121.58 2vnt n LYS 234 Ca -0.12 0.54 -0.03 0.00 -0.00 0.00 0.00 58.31 58.70 2vnt n LYS 234 Cb 0.52 -2.24 -0.01 0.00 0.00 0.00 0.00 35.03 33.30 2vnt n LYS 234 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2vnt n ASP 235 N 4.11 -4.41 -3.50 3.14 8.00 -1.26 -4.93 116.55 117.70 2vnt n ASP 235 Ca 0.21 0.06 -0.27 0.00 0.71 0.00 0.00 54.79 55.51 2vnt n ASP 235 Cb 0.21 -2.14 -0.09 0.00 -0.02 0.00 0.00 41.12 39.08 2vnt n ASP 235 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2vnt n LYS 236 N -1.46 2.04 -0.60 -1.24 4.76 -0.80 -4.00 118.16 116.86 2vnt n LYS 236 Ca -0.03 -4.38 -0.30 0.00 -2.87 0.00 0.00 58.31 50.73 2vnt n LYS 236 Cb 0.27 -2.11 0.20 0.00 -1.84 0.00 0.00 35.03 31.55 2vnt n LYS 236 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2vnt n PRO 237 N 1.27 -1.25 -2.30 1.97 -0.02 -1.26 -4.40 135.00 129.01 2vnt n PRO 237 Ca 0.27 -0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.09 2vnt n PRO 237 Cb 0.41 -2.27 -0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2vnt n PRO 237 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2vnt s GLY 238 N -2.51 2.54 -0.01 -1.23 0.00 -0.56 -4.43 107.32 101.13 2vnt s GLY 238 Ca 0.67 0.72 0.06 0.00 0.00 0.00 0.00 44.72 46.17 2vnt s GLY 238 CO 0.61 1.07 -0.18 0.14 0.00 0.00 0.00 173.10 174.74 2vnt s VAL 239 N -1.90 1.41 -0.02 1.40 1.01 -0.05 -1.73 120.40 120.51 2vnt s VAL 239 Ca 0.70 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2vnt s VAL 239 Cb -0.21 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 2vnt s VAL 239 CO 0.26 0.39 -0.10 -0.31 0.00 0.00 0.00 175.10 175.34 2vnt s TYR 240 N -0.43 1.02 0.18 5.22 1.51 0.07 -2.27 117.35 122.64 2vnt s TYR 240 Ca 0.07 -0.23 -0.32 0.00 -1.01 0.00 0.00 57.07 55.58 2vnt s TYR 240 Cb -0.07 -0.69 -0.12 0.00 -0.11 0.00 0.00 41.96 40.97 2vnt s TYR 240 CO -0.01 -0.07 1.77 2.41 -1.11 0.00 0.00 175.55 178.54 2vnt n THR 241 N 3.08 0.14 -2.57 -0.71 -1.04 0.01 -1.23 114.28 111.98 2vnt n THR 241 Ca -0.16 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.40 2vnt n THR 241 Cb 0.55 -2.04 -0.03 0.00 -1.82 0.00 0.00 70.33 66.99 2vnt n THR 241 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2vnt s ARG 242 N 1.78 3.41 0.35 -2.82 3.52 -0.23 -2.44 118.95 122.52 2vnt s ARG 242 Ca 0.78 0.10 0.12 0.00 -0.13 0.00 0.00 55.73 56.60 2vnt s ARG 242 Cb -0.50 -4.07 0.66 0.00 -1.56 0.00 0.00 34.95 29.49 2vnt s ARG 242 CO 0.34 -1.83 1.80 0.28 -0.81 0.00 0.00 175.30 175.07 2vnt h VAL 243 N 6.12 1.29 -0.28 7.11 2.07 -1.64 -2.69 116.25 128.23 2vnt h VAL 243 Ca -0.26 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 2vnt h VAL 243 Cb 1.06 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 2vnt h VAL 243 CO 1.22 0.39 0.15 0.77 0.02 0.00 0.00 177.57 180.12 2vnt h SER 244 N 0.03 0.34 0.36 0.57 4.64 -1.85 -2.02 113.55 115.62 2vnt h SER 244 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2vnt h SER 244 Cb 0.71 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2vnt h SER 244 CO 0.05 0.29 0.00 1.41 -0.87 0.00 0.00 176.83 177.71 2vnt n HIS 245 N -4.45 0.00 -0.25 4.77 8.25 -1.01 -3.35 115.22 119.17 2vnt n HIS 245 Ca 0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.54 2vnt n HIS 245 Cb 0.10 -0.23 0.20 0.00 1.12 0.00 0.00 29.99 31.18 2vnt n HIS 245 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2vnt n PHE 246 N -1.23 0.61 -0.10 4.41 3.01 -0.76 -4.72 117.46 118.68 2vnt n PHE 246 Ca 0.13 -0.51 -0.06 0.00 1.01 0.00 0.00 57.45 58.02 2vnt n PHE 246 Cb 0.17 -0.03 0.02 0.00 -0.01 0.00 0.00 39.48 39.62 2vnt n PHE 246 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2vnt h LEU 247 N 2.57 0.02 -0.34 4.37 3.38 -1.59 -0.07 115.31 123.64 2vnt h LEU 247 Ca 0.00 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2vnt h LEU 247 Cb 0.82 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 2vnt h LEU 247 CO 0.01 0.05 -0.12 -0.65 0.09 0.00 0.00 178.44 177.82 2vnt h PRO 248 N 0.19 -0.04 -0.54 1.13 0.11 -1.88 -1.80 132.00 129.17 2vnt h PRO 248 Ca 0.17 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.36 2vnt h PRO 248 Cb 0.19 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.24 2vnt h PRO 248 CO -0.22 -0.03 0.19 2.35 -0.21 0.00 0.00 178.00 180.09 2vnt h TRP 249 N -0.04 0.33 -0.65 0.65 7.01 -1.83 -0.25 115.95 121.17 2vnt h TRP 249 Ca 0.17 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.20 2vnt h TRP 249 Cb 0.30 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.26 2vnt h TRP 249 CO -0.34 0.09 0.41 0.82 -2.79 0.00 0.00 178.44 176.63 2vnt h ILE 250 N 0.37 1.18 0.38 2.65 2.04 -0.74 -2.07 117.51 121.32 2vnt h ILE 250 Ca 0.27 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2vnt h ILE 250 Cb 0.31 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2vnt h ILE 250 CO -0.27 0.18 -0.18 -0.09 0.00 0.00 0.00 178.15 177.79 2vnt h ARG 251 N 0.88 -0.49 -0.45 2.37 9.65 -0.98 -2.33 114.38 123.04 2vnt h ARG 251 Ca 0.23 0.03 0.08 0.00 -1.10 0.00 0.00 59.98 59.23 2vnt h ARG 251 Cb -0.05 0.11 -0.08 0.00 -1.39 0.00 0.00 29.97 28.56 2vnt h ARG 251 CO -0.05 -0.32 -0.15 0.45 2.80 0.00 0.00 179.97 182.70 2vnt n SER 252 N -3.64 -0.23 -0.35 -3.80 2.88 -0.14 -0.20 113.62 108.14 2vnt n SER 252 Ca -0.06 0.78 0.14 0.00 -1.33 0.00 0.00 58.87 58.39 2vnt n SER 252 Cb 0.20 -0.20 0.51 0.00 -0.75 0.00 0.00 64.21 63.97 2vnt n SER 252 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2vnt n HIS 253 N -4.69 0.00 0.24 0.66 8.25 -0.78 -3.32 115.22 115.58 2vnt n HIS 253 Ca 0.06 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.54 2vnt n HIS 253 Cb 0.20 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 2vnt n HIS 253 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2vnt n THR 254 N -0.23 0.00 -0.02 1.59 -1.04 0.72 -4.71 114.28 110.60 2vnt n THR 254 Ca 0.17 -0.38 -0.03 0.00 -2.04 0.00 0.00 64.05 61.76 2vnt n THR 254 Cb 0.33 1.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.84 2vnt n THR 254 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2vnt n LYS 255 N -1.07 0.19 0.00 -2.82 3.00 -1.11 -5.06 118.16 111.28 2vnt n LYS 255 Ca 0.01 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2vnt n LYS 255 Cb 0.08 -0.75 0.00 0.00 0.00 0.00 0.00 35.03 34.36 2vnt n LYS 255 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2vnt n GLU 256 N -3.44 3.66 0.20 1.64 2.13 -1.25 -5.08 120.64 118.50 2vnt n GLU 256 Ca -0.05 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.69 2vnt n GLU 256 Cb 0.18 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.86 2vnt n GLU 256 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2vnt h GLU 257 N 0.00 -0.50 0.00 5.31 5.08 -1.89 -3.40 114.58 119.18 2vnt h GLU 257 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2vnt h GLU 257 Cb 0.00 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2vnt h GLU 257 CO 0.00 -0.33 0.00 -1.71 -1.00 0.00 0.00 179.01 175.97