#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vnt s LYS -2 N 0.00 1.24 0.21 1.47 1.02 -1.26 -4.79 119.74 117.63 2vnt s LYS -2 Ca 0.00 -1.28 -0.30 0.00 0.02 0.00 0.00 55.97 54.41 2vnt s LYS -2 Cb 0.00 0.37 -0.08 0.00 -0.52 0.00 0.00 37.83 37.60 2vnt s LYS -2 CO 0.00 -0.46 0.99 -0.06 -0.92 0.00 0.00 175.35 174.91 2vnt s PHE -1 N -4.02 3.83 -0.45 3.18 0.40 -1.26 -4.89 117.98 114.78 2vnt s PHE -1 Ca 0.22 1.82 0.06 0.00 -0.60 0.00 0.00 56.93 58.43 2vnt s PHE -1 Cb 0.03 -3.09 0.21 0.00 0.51 0.00 0.00 43.02 40.69 2vnt s PHE -1 CO 0.04 0.10 0.48 1.04 0.70 0.00 0.00 175.22 177.58 2vnt n GLN 0 N 1.82 0.79 -1.20 0.44 6.02 -1.26 -5.04 117.38 118.94 2vnt n GLN 0 Ca -0.00 -3.45 -0.47 0.00 -0.01 0.00 0.00 57.00 53.07 2vnt n GLN 0 Cb 0.47 -1.57 -0.06 0.00 1.02 0.00 0.00 30.24 30.10 2vnt n GLN 0 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2vnt n GLY 2 N 1.25 0.75 3.45 0.00 0.00 -0.17 -4.63 105.19 105.84 2vnt n GLY 2 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 3.63 0.25 1.61 -0.21 -0.92 -4.36 119.66 119.15 2vnt s GLN 3 Ca 0.00 -0.51 0.11 0.00 0.02 0.00 0.00 55.36 54.97 2vnt s GLN 3 Cb 0.00 -3.10 -0.05 0.00 1.00 0.00 0.00 33.01 30.87 2vnt s GLN 3 CO 0.00 0.00 -0.13 -1.59 -2.12 0.00 0.00 175.29 171.45 2vnt s LYS 4 N 1.03 1.90 1.16 2.91 -2.85 -1.26 -4.94 119.74 117.68 2vnt s LYS 4 Ca 0.02 -1.55 -0.15 0.00 -1.00 0.00 0.00 55.97 53.29 2vnt s LYS 4 Cb -0.14 -1.96 0.21 0.00 -2.06 0.00 0.00 37.83 33.88 2vnt s LYS 4 CO 0.02 0.37 0.56 2.41 0.10 0.00 0.00 175.35 178.80 2vnt n THR 5 N -0.47 0.00 -3.40 3.79 -1.04 -1.26 -5.15 114.28 106.75 2vnt n THR 5 Ca -0.07 -0.39 -0.23 0.00 -2.04 0.00 0.00 64.05 61.31 2vnt n THR 5 Cb 0.58 -0.82 -0.10 0.00 -1.82 0.00 0.00 70.33 68.18 2vnt n THR 5 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2vnt s LEU 6 N -4.58 0.51 0.00 -4.42 2.96 -1.26 -5.02 118.68 106.88 2vnt s LEU 6 Ca 0.63 -2.00 0.00 0.00 -0.22 0.00 0.00 54.13 52.54 2vnt s LEU 6 Cb -0.20 0.06 0.00 0.00 0.50 0.00 0.00 46.19 46.55 2vnt s LEU 6 CO 0.66 -0.27 0.00 -0.38 -1.32 0.00 0.00 176.35 175.04 2vnt n ILE 10 N 4.00 0.00 -3.45 6.68 2.08 0.52 -5.19 119.36 123.99 2vnt n ILE 10 Ca 0.13 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 63.07 2vnt n ILE 10 Cb 0.42 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.24 2vnt n ILE 10 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2vnt s ILE 11 N -0.05 5.20 0.00 1.39 1.01 -0.19 -3.73 121.20 124.83 2vnt s ILE 11 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.41 2vnt s ILE 11 Cb 0.00 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.75 2vnt s ILE 11 CO 0.00 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.96 2vnt n GLY 12 N 2.96 2.28 7.00 6.18 0.00 -1.26 -2.79 105.19 119.56 2vnt n GLY 12 Ca -0.11 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 1.01 3.06 -0.02 0.00 -1.26 -4.89 105.19 103.08 2vnt n GLY 13 Ca 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 0.45 0.65 1.61 2.02 -0.38 -4.98 118.70 118.08 2vnt s GLU 14 Ca 0.00 -0.60 -0.17 0.00 0.02 0.00 0.00 54.97 54.21 2vnt s GLU 14 Cb 0.00 0.17 -0.00 0.00 0.10 0.00 0.00 34.13 34.40 2vnt s GLU 14 CO 0.00 -0.10 1.23 -0.06 0.02 0.00 0.00 175.26 176.36 2vnt s PHE 15 N -1.83 2.19 0.28 1.61 0.40 -1.26 -1.03 117.98 118.33 2vnt s PHE 15 Ca -0.12 1.53 -0.00 0.00 -0.60 0.00 0.00 56.93 57.74 2vnt s PHE 15 Cb -0.06 -3.54 0.00 0.00 0.51 0.00 0.00 43.02 39.93 2vnt s PHE 15 CO -0.01 -2.56 0.36 0.25 0.70 0.00 0.00 175.22 173.96 2vnt n THR 16 N -2.06 0.00 -4.38 0.64 -2.24 -0.23 -4.79 114.28 101.22 2vnt n THR 16 Ca 0.14 -1.50 -0.20 0.00 -2.27 0.00 0.00 64.05 60.23 2vnt n THR 16 Cb 0.49 0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 69.51 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 -2.79 1.86 0.03 4.28 -4.23 -1.26 -4.38 115.64 109.15 2vnt s THR 17 Ca 0.24 -2.24 0.32 0.00 -1.18 0.00 0.00 61.69 58.84 2vnt s THR 17 Cb -0.00 -2.14 0.35 0.00 1.34 0.00 0.00 72.50 72.04 2vnt s THR 17 CO 0.17 -0.53 1.96 0.16 -0.54 0.00 0.00 174.62 175.84 2vnt h ILE 18 N 2.47 0.00 -0.31 2.99 -0.00 -1.89 -2.09 117.51 118.68 2vnt h ILE 18 Ca -0.39 -0.27 -0.03 0.00 -0.00 0.00 0.00 64.86 64.17 2vnt h ILE 18 Cb 1.23 1.13 -0.02 0.00 -0.00 0.00 0.00 36.82 39.17 2vnt h ILE 18 CO 0.62 0.00 0.06 -0.33 -0.00 0.00 0.00 178.15 178.50 2vnt h GLU 19 N 0.00 0.45 0.00 0.16 5.08 -1.86 0.32 114.58 118.72 2vnt h GLU 19 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2vnt h GLU 19 Cb 0.30 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2vnt h GLU 19 CO 0.00 0.43 0.00 0.09 -1.00 0.00 0.00 179.01 178.53 2vnt n ASN 20 N -4.35 0.00 -2.73 1.42 3.02 -0.79 -4.20 115.26 107.64 2vnt n ASN 20 Ca 0.01 -0.76 -0.09 0.00 -0.03 0.00 0.00 54.58 53.72 2vnt n ASN 20 Cb 0.19 -0.02 0.09 0.00 -0.61 0.00 0.00 39.78 39.43 2vnt n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vnt n GLN 21 N -1.02 1.05 0.09 3.52 1.13 -0.48 -5.03 117.38 116.64 2vnt n GLN 21 Ca 0.19 -1.93 0.07 0.00 -1.94 0.00 0.00 57.00 53.40 2vnt n GLN 21 Cb 0.10 -0.87 0.36 0.00 0.11 0.00 0.00 30.24 29.93 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 0.20 0.09 0.00 -1.09 -0.04 -0.02 -1.39 135.00 132.75 2vnt n PRO 22 Ca 0.05 0.51 0.13 0.00 -0.04 0.00 0.00 63.50 64.15 2vnt n PRO 22 Cb 0.72 -1.75 0.44 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.93 0.00 -1.88 0.54 2.14 -1.23 -2.63 117.44 112.46 2vnt n TRP 23 Ca 0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 2vnt n TRP 23 Cb 0.07 -0.19 -0.03 0.00 -0.81 0.00 0.00 31.31 30.35 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 -2.62 2.71 -0.08 -2.67 2.19 -0.48 -1.44 117.98 115.58 2vnt s PHE 24 Ca 0.22 0.40 0.01 0.00 0.33 0.00 0.00 56.93 57.89 2vnt s PHE 24 Cb 0.19 -4.00 -0.03 0.00 -1.31 0.00 0.00 43.02 37.87 2vnt s PHE 24 CO 0.54 -3.88 -0.08 0.00 1.83 0.00 0.00 175.22 173.63 2vnt s ALA 25 N 1.85 2.90 -0.31 11.12 0.00 -0.98 -4.43 121.76 131.90 2vnt s ALA 25 Ca 0.73 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.72 2vnt s ALA 25 Cb -0.44 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.48 2vnt s ALA 25 CO 0.32 0.51 0.09 0.00 0.00 0.00 0.00 175.76 176.68 2vnt s ALA 26 N -0.58 3.08 -0.20 0.00 0.00 -0.67 -0.96 121.76 122.43 2vnt s ALA 26 Ca 0.09 -1.52 -0.08 0.00 0.00 0.00 0.00 51.96 50.45 2vnt s ALA 26 Cb -0.12 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 2vnt s ALA 26 CO 0.02 -1.02 0.07 0.42 0.00 0.00 0.00 175.76 175.25 2vnt s ILE 27 N 1.49 4.70 0.16 0.00 1.01 -0.18 -1.02 121.20 127.36 2vnt s ILE 27 Ca 0.02 -0.06 0.11 0.00 0.00 0.00 0.00 60.65 60.72 2vnt s ILE 27 Cb -0.18 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 2vnt s ILE 27 CO 0.03 0.42 -0.24 -0.31 0.00 0.00 0.00 174.94 174.83 2vnt s TYR 28 N 0.76 2.21 -0.15 3.97 2.02 -0.31 -0.53 117.35 125.32 2vnt s TYR 28 Ca 0.04 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.20 2vnt s TYR 28 Cb -0.13 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.24 2vnt s TYR 28 CO 0.02 0.40 0.38 0.50 -1.57 0.00 0.00 175.55 175.28 2vnt s ARG 29 N -2.40 4.29 0.25 -0.62 3.52 0.30 -1.92 118.95 122.36 2vnt s ARG 29 Ca 0.17 0.26 -0.14 0.00 -0.13 0.00 0.00 55.73 55.89 2vnt s ARG 29 Cb -0.09 -3.44 -0.08 0.00 -1.56 0.00 0.00 34.95 29.78 2vnt s ARG 29 CO 0.08 0.17 0.64 -0.98 -0.81 0.00 0.00 175.30 174.40 2vnt s ARG 30 N 0.63 3.97 0.10 5.12 1.70 0.60 -0.50 118.95 130.57 2vnt s ARG 30 Ca 0.21 0.54 0.04 0.00 -0.47 0.00 0.00 55.73 56.04 2vnt s ARG 30 Cb -0.14 -2.64 -0.04 0.00 -0.57 0.00 0.00 34.95 31.56 2vnt s ARG 30 CO 0.07 0.29 -0.10 -1.01 -1.08 0.00 0.00 175.30 173.48 2vnt s HIS 31 N -1.78 1.06 0.25 5.89 3.76 -0.45 -4.87 115.29 119.15 2vnt s HIS 31 Ca 0.48 -0.71 -0.31 0.00 -0.15 0.00 0.00 55.06 54.37 2vnt s HIS 31 Cb -0.12 -0.58 -0.14 0.00 1.11 0.00 0.00 32.58 32.85 2vnt s HIS 31 CO 0.19 -0.01 1.31 0.54 -0.85 0.00 0.00 174.74 175.92 2vnt n ARG 32 N 0.36 1.83 0.00 1.40 1.74 -1.26 -0.82 116.66 119.91 2vnt n ARG 32 Ca -0.15 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 2vnt n ARG 32 Cb 0.59 -2.24 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 2vnt n ARG 32 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2vnt n GLY 33 N 1.83 3.12 0.06 -0.13 0.00 -1.26 -4.56 105.19 104.26 2vnt n GLY 33 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.74 0.70 3.78 -0.02 0.00 0.00 -5.10 105.19 103.81 2vnt n GLY 34 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.61 4.59 -0.01 1.61 1.04 -1.25 -4.79 113.70 112.28 2vnt s SER 35 Ca 0.00 1.63 0.01 0.00 0.48 0.00 0.00 55.95 58.06 2vnt s SER 35 Cb 0.00 -2.38 0.01 0.00 0.10 0.00 0.00 66.02 63.74 2vnt s SER 35 CO 0.00 -1.95 -0.01 0.68 0.98 0.00 0.00 173.24 172.94 2vnt s VAL 36 N -2.99 0.13 -0.04 5.02 -7.23 -1.26 -1.33 120.40 112.70 2vnt s VAL 36 Ca 0.61 -0.03 0.07 0.00 -1.81 0.00 0.00 61.98 60.82 2vnt s VAL 36 Cb -0.16 -0.15 -0.02 0.00 0.56 0.00 0.00 36.38 36.62 2vnt s VAL 36 CO 0.56 0.06 -0.26 0.42 -0.31 0.00 0.00 175.10 175.57 2vnt s THR 37 N 0.23 2.05 0.16 5.32 -4.23 0.34 -4.92 115.64 114.60 2vnt s THR 37 Ca -0.02 -1.09 -0.30 0.00 -1.18 0.00 0.00 61.69 59.10 2vnt s THR 37 Cb -0.04 -1.72 -0.08 0.00 1.34 0.00 0.00 72.50 72.00 2vnt s THR 37 CO -0.01 0.58 1.27 -0.47 -0.54 0.00 0.00 174.62 175.45 2vnt s TYR 38 N -0.40 3.34 -0.06 3.99 5.04 -1.26 0.11 117.35 128.10 2vnt s TYR 38 Ca 0.04 1.26 -0.09 0.00 -2.44 0.00 0.00 57.07 55.85 2vnt s TYR 38 Cb -0.12 -3.53 -0.03 0.00 0.35 0.00 0.00 41.96 38.63 2vnt s TYR 38 CO 0.01 -1.64 -0.17 0.28 -1.34 0.00 0.00 175.55 172.70 2vnt n VAL 39 N 2.93 1.05 -3.96 3.14 0.31 0.32 -4.81 118.33 117.30 2vnt n VAL 39 Ca 0.07 0.26 -0.09 0.00 -0.01 0.00 0.00 64.34 64.56 2vnt n VAL 39 Cb 0.44 -1.89 -0.04 0.00 -0.91 0.00 0.00 33.84 31.45 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 -3.02 1.76 0.12 0.00 0.00 -0.68 -1.01 107.32 104.50 2vnt s GLY 41 Ca 0.20 -1.65 -0.05 0.00 0.00 0.00 0.00 44.72 43.22 2vnt s GLY 41 CO 0.10 -1.11 0.26 0.61 0.00 0.00 0.00 173.10 172.97 2vnt n GLY 42 N -2.83 1.61 3.18 0.20 0.00 -0.13 -4.01 105.19 103.22 2vnt n GLY 42 Ca 0.14 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 2vnt n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vnt s SER 43 N -1.68 -0.36 -0.01 1.61 0.01 -0.47 -2.32 113.70 110.48 2vnt s SER 43 Ca 0.05 0.67 -0.30 0.00 1.31 0.00 0.00 55.95 57.68 2vnt s SER 43 Cb -0.02 0.62 -0.04 0.00 0.21 0.00 0.00 66.02 66.79 2vnt s SER 43 CO 0.04 -0.15 1.10 -0.22 0.41 0.00 0.00 173.24 174.42 2vnt s LEU 44 N 0.75 4.33 -0.16 2.44 0.20 -0.52 -0.16 118.68 125.56 2vnt s LEU 44 Ca -0.05 1.78 0.16 0.00 0.69 0.00 0.00 54.13 56.71 2vnt s LEU 44 Cb -0.06 -3.57 -0.22 0.00 -0.43 0.00 0.00 46.19 41.92 2vnt s LEU 44 CO -0.05 -0.42 0.08 0.23 -0.29 0.00 0.00 176.35 175.90 2vnt n MET 45 N 4.38 1.13 -3.61 1.98 2.81 0.29 -1.74 117.12 122.37 2vnt n MET 45 Ca 0.08 -0.02 -0.06 0.00 -1.81 0.00 0.00 57.70 55.89 2vnt n MET 45 Cb 0.48 -1.44 -0.02 0.00 -0.71 0.00 0.00 33.22 31.53 2vnt n MET 45 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2vnt s SER 46 N -5.07 -0.29 0.44 7.83 1.04 -1.20 -4.76 113.70 111.70 2vnt s SER 46 Ca -0.08 -0.18 0.29 0.00 0.48 0.00 0.00 55.95 56.45 2vnt s SER 46 Cb 0.06 0.44 1.38 0.00 0.10 0.00 0.00 66.02 68.00 2vnt s SER 46 CO 0.71 -0.76 1.65 -0.65 0.98 0.00 0.00 173.24 175.18 2vnt h PRO 47 N 2.00 0.13 -0.04 4.02 0.11 -1.97 -2.69 132.00 133.56 2vnt h PRO 47 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2vnt h PRO 47 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2vnt h PRO 47 CO 0.29 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 178.16 2vnt s TRP 49 N -0.77 1.08 0.04 0.00 0.52 -1.02 -0.29 118.94 118.52 2vnt s TRP 49 Ca 0.03 -0.38 0.06 0.00 0.02 0.00 0.00 56.10 55.83 2vnt s TRP 49 Cb 0.02 -0.87 -0.03 0.00 -1.15 0.00 0.00 33.47 31.43 2vnt s TRP 49 CO 0.02 -0.26 -0.14 0.08 0.02 0.00 0.00 176.95 176.68 2vnt s VAL 50 N 0.91 3.11 0.02 4.03 1.01 -0.65 -0.55 120.40 128.30 2vnt s VAL 50 Ca -0.11 -1.10 0.07 0.00 0.00 0.00 0.00 61.98 60.84 2vnt s VAL 50 Cb -0.15 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 2vnt s VAL 50 CO 0.01 0.31 -0.21 -0.51 0.00 0.00 0.00 175.10 174.69 2vnt s ILE 51 N -1.00 1.68 0.00 2.22 2.07 0.78 -1.19 121.20 125.77 2vnt s ILE 51 Ca 0.16 -1.08 0.00 0.00 -1.41 0.00 0.00 60.65 58.33 2vnt s ILE 51 Cb -0.11 -1.43 0.00 0.00 0.13 0.00 0.00 42.46 41.05 2vnt s ILE 51 CO 0.07 0.33 0.00 -0.24 -1.91 0.00 0.00 174.94 173.19 2vnt n SER 52 N 2.15 0.00 -4.38 4.50 2.88 -0.63 -1.37 113.62 116.77 2vnt n SER 52 Ca -0.16 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.06 2vnt n SER 52 Cb 0.53 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.84 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 -1.21 2.36 0.01 -1.46 0.00 -1.26 -1.57 121.76 118.63 2vnt s ALA 53 Ca 0.00 -1.09 0.23 0.00 0.00 0.00 0.00 51.96 51.10 2vnt s ALA 53 Cb 0.00 -0.69 0.73 0.00 0.00 0.00 0.00 23.12 23.15 2vnt s ALA 53 CO 0.00 0.54 1.74 1.79 0.00 0.00 0.00 175.76 179.83 2vnt h THR 54 N 4.38 0.50 -0.66 0.00 1.35 -1.73 -2.99 112.91 113.76 2vnt h THR 54 Ca -0.45 -1.26 0.08 0.00 -0.55 0.00 0.00 66.41 64.22 2vnt h THR 54 Cb 1.13 1.90 -0.04 0.00 -1.73 0.00 0.00 68.15 69.41 2vnt h THR 54 CO 0.48 0.23 0.44 -0.74 -0.25 0.00 0.00 175.52 175.67 2vnt h HIS 55 N 0.00 0.63 -0.61 4.73 6.17 -1.92 -2.01 115.15 122.14 2vnt h HIS 55 Ca -0.00 0.02 0.18 0.00 0.71 0.00 0.00 60.37 61.27 2vnt h HIS 55 Cb 0.88 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 30.58 2vnt h HIS 55 CO 0.00 0.32 0.49 0.00 0.71 0.00 0.00 177.93 179.45 2vnt n PHE 57 N -4.11 0.00 -0.28 0.00 3.72 -0.76 -4.72 117.46 111.30 2vnt n PHE 57 Ca 0.12 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.55 2vnt n PHE 57 Cb 0.73 -0.02 0.08 0.00 -0.94 0.00 0.00 39.48 39.33 2vnt n PHE 57 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2vnt n ILE 58 N -1.18 -0.34 0.21 4.37 2.08 -1.17 -1.44 119.36 121.88 2vnt n ILE 58 Ca 0.00 1.75 0.12 0.00 0.56 0.00 0.00 62.75 65.19 2vnt n ILE 58 Cb 0.07 -2.39 0.08 0.00 -0.75 0.00 0.00 39.64 36.64 2vnt n ILE 58 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 2vnt h ASP 59 N 0.00 0.00 -2.16 4.38 3.32 -1.84 -3.37 116.42 116.75 2vnt h ASP 59 Ca 0.33 -0.02 -0.57 0.00 0.02 0.00 0.00 57.03 56.79 2vnt h ASP 59 Cb 0.52 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.68 2vnt h ASP 59 CO -0.77 0.01 -1.00 -1.22 -1.72 0.00 0.00 179.24 174.54 2vnt n TYR 60 N -2.72 0.05 0.84 4.55 4.01 -0.52 -5.01 117.16 118.35 2vnt n TYR 60 Ca 0.02 -3.59 0.00 0.00 -0.16 0.00 0.00 57.90 54.17 2vnt n TYR 60 Cb 0.53 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 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 1.75 0.84 -3.97 -0.72 -0.04 -0.93 -4.80 135.00 127.13 2vnt n PRO 61 Ca 0.24 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.35 2vnt n PRO 61 Cb 0.50 -1.15 -0.12 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.07 3.71 0.55 0.54 1.02 -1.26 -4.98 119.74 119.25 2vnt s LYS 62 Ca 0.00 -0.47 0.23 0.00 0.02 0.00 0.00 55.97 55.76 2vnt s LYS 62 Cb 0.00 -3.19 1.44 0.00 -0.52 0.00 0.00 37.83 35.57 2vnt s LYS 62 CO 0.00 0.01 2.09 1.57 -0.92 0.00 0.00 175.35 178.10 2vnt h LYS 63 N 7.54 0.00 0.00 1.68 2.10 -1.89 -2.46 116.57 123.54 2vnt h LYS 63 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2vnt h LYS 63 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2vnt h LYS 63 CO 0.62 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 179.00 2vnt h GLU 64 N 0.00 0.00 0.00 0.07 4.39 -1.94 -2.87 114.58 114.24 2vnt h GLU 64 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2vnt h GLU 64 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2vnt h GLU 64 CO -0.00 0.00 -0.19 -0.25 -1.16 0.00 0.00 179.01 177.41 2vnt n ASP 65 N -2.97 0.40 -4.60 1.42 10.43 -0.93 -4.95 116.55 115.35 2vnt n ASP 65 Ca -0.00 0.31 -0.24 0.00 2.57 0.00 0.00 54.79 57.43 2vnt n ASP 65 Cb 0.23 -0.32 -0.09 0.00 1.84 0.00 0.00 41.12 42.78 2vnt n ASP 65 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 2vnt s TYR 66 N -3.05 2.52 -0.15 1.24 1.51 -1.08 -0.29 117.35 118.05 2vnt s TYR 66 Ca 0.11 -0.37 -0.09 0.00 -1.01 0.00 0.00 57.07 55.72 2vnt s TYR 66 Cb 0.16 -1.32 0.05 0.00 -0.11 0.00 0.00 41.96 40.75 2vnt s TYR 66 CO 0.61 0.56 0.36 0.42 -1.11 0.00 0.00 175.55 176.39 2vnt s ILE 67 N -2.48 -0.03 -0.03 2.71 1.01 -0.81 -4.14 121.20 117.44 2vnt s ILE 67 Ca 0.33 0.09 0.05 0.00 0.00 0.00 0.00 60.65 61.12 2vnt s ILE 67 Cb -0.02 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.88 2vnt s ILE 67 CO 0.18 0.04 -0.15 0.68 0.00 0.00 0.00 174.94 175.69 2vnt s VAL 68 N 1.20 2.98 0.05 2.92 -7.23 -0.62 -1.16 120.40 118.54 2vnt s VAL 68 Ca -0.08 -0.84 0.03 0.00 -1.81 0.00 0.00 61.98 59.27 2vnt s VAL 68 Cb -0.08 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 2vnt s VAL 68 CO -0.10 0.53 0.04 -0.31 -0.31 0.00 0.00 175.10 174.94 2vnt s TYR 69 N -0.78 3.11 0.08 2.82 2.02 -0.19 0.25 117.35 124.67 2vnt s TYR 69 Ca 0.12 0.06 0.08 0.00 -0.37 0.00 0.00 57.07 56.97 2vnt s TYR 69 Cb -0.11 -1.62 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 2vnt s TYR 69 CO 0.02 0.50 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.79 2vnt s LEU 70 N -2.09 2.56 -0.13 -1.29 1.02 0.11 -1.67 118.68 117.20 2vnt s LEU 70 Ca 0.25 -0.53 -0.00 0.00 0.02 0.00 0.00 54.13 53.87 2vnt s LEU 70 Cb -0.12 -1.47 0.00 0.00 0.02 0.00 0.00 46.19 44.63 2vnt s LEU 70 CO 0.17 0.22 0.04 0.61 0.02 0.00 0.00 176.35 177.41 2vnt n GLY 71 N 1.22 0.56 3.06 -3.19 0.00 -1.24 0.13 105.19 105.72 2vnt n GLY 71 Ca -0.16 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 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 -4.57 2.05 0.00 1.61 3.52 -1.26 -3.48 118.95 116.81 2vnt s ARG 72 Ca 0.02 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 55.10 2vnt s ARG 72 Cb -0.01 -1.70 0.00 0.00 -1.56 0.00 0.00 34.95 31.68 2vnt s ARG 72 CO 0.03 0.01 0.21 -1.13 -0.81 0.00 0.00 175.30 173.60 2vnt n SER 73 N 3.95 0.41 -4.50 -2.12 3.41 -1.26 -4.63 113.62 108.89 2vnt n SER 73 Ca -0.21 -0.70 -0.27 0.00 -0.26 0.00 0.00 58.87 57.43 2vnt n SER 73 Cb 0.52 0.44 -0.11 0.00 -0.26 0.00 0.00 64.21 64.80 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 -0.44 1.80 -0.13 4.33 0.52 -1.26 -0.76 118.95 123.02 2vnt s ARG 74 Ca 0.00 -1.37 -0.23 0.00 -0.52 0.00 0.00 55.73 53.61 2vnt s ARG 74 Cb 0.00 -2.02 -0.26 0.00 0.52 0.00 0.00 34.95 33.19 2vnt s ARG 74 CO 0.00 0.43 0.64 1.25 0.02 0.00 0.00 175.30 177.63 2vnt h LEU 75 N 3.13 0.17 0.00 2.53 5.85 -0.66 -3.40 115.31 122.93 2vnt h LEU 75 Ca -0.47 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.39 2vnt h LEU 75 Cb 1.20 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2vnt h LEU 75 CO 0.51 1.31 -0.94 0.59 -0.34 0.00 0.00 178.44 179.56 2vnt n ASN 76 N -4.33 0.90 -4.41 1.25 4.13 -1.26 -4.98 115.26 106.55 2vnt n ASN 76 Ca -0.18 -0.93 -0.20 0.00 1.68 0.00 0.00 54.58 54.95 2vnt n ASN 76 Cb 0.68 1.03 -0.10 0.00 -1.54 0.00 0.00 39.78 39.84 2vnt n ASN 76 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2vnt s SER 77 N -2.87 2.08 0.05 6.41 1.04 -1.26 -5.14 113.70 114.01 2vnt s SER 77 Ca 0.07 -1.35 -0.30 0.00 0.48 0.00 0.00 55.95 54.85 2vnt s SER 77 Cb 0.15 -0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 2vnt s SER 77 CO 0.79 -0.61 1.00 0.20 0.98 0.00 0.00 173.24 175.61 2vnt s ASN 78 N -3.43 7.38 -0.28 7.02 0.01 -1.26 -4.66 114.94 119.73 2vnt s ASN 78 Ca 0.35 1.76 -0.11 0.00 -0.71 0.00 0.00 52.86 54.15 2vnt s ASN 78 Cb 0.08 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.11 2vnt s ASN 78 CO 0.14 -0.22 0.21 -0.89 -1.51 0.00 0.00 177.10 174.83 2vnt s THR 79 N 0.63 5.30 0.28 1.60 2.01 -1.26 -5.03 115.64 119.17 2vnt s THR 79 Ca 0.51 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 62.42 2vnt s THR 79 Cb -0.23 -3.55 -0.12 0.00 0.01 0.00 0.00 72.50 68.62 2vnt s THR 79 CO 0.29 0.25 1.62 0.00 -0.69 0.00 0.00 174.62 176.09 2vnt n GLN 80 N 5.04 2.73 -0.24 4.92 6.02 -1.26 -1.69 117.38 132.90 2vnt n GLN 80 Ca -0.13 0.97 0.00 0.00 -0.01 0.00 0.00 57.00 57.83 2vnt n GLN 80 Cb 0.52 -2.77 0.00 0.00 1.02 0.00 0.00 30.24 29.01 2vnt n GLN 80 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2vnt n GLY 81 N 2.44 0.82 3.80 1.08 0.00 -1.26 -5.04 105.19 107.02 2vnt n GLY 81 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2vnt n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2vnt s GLU 82 N -0.64 3.54 -0.07 1.61 -1.05 -0.68 -4.74 118.70 116.67 2vnt s GLU 82 Ca 0.00 1.33 0.04 0.00 -0.15 0.00 0.00 54.97 56.19 2vnt s GLU 82 Cb 0.00 -2.06 0.00 0.00 -0.44 0.00 0.00 34.13 31.64 2vnt s GLU 82 CO 0.00 -0.65 -0.19 1.41 0.95 0.00 0.00 175.26 176.78 2vnt s MET 83 N -3.58 2.31 -0.13 -4.83 1.75 0.34 -4.96 119.30 110.20 2vnt s MET 83 Ca 0.67 -0.67 -0.03 0.00 -1.25 0.00 0.00 55.69 54.40 2vnt s MET 83 Cb -0.17 -1.84 -0.03 0.00 2.84 0.00 0.00 34.83 35.62 2vnt s MET 83 CO 0.28 0.16 -0.01 0.21 -0.65 0.00 0.00 175.02 175.00 2vnt s LYS 84 N 0.35 3.45 -0.00 4.11 2.20 -1.26 0.09 119.74 128.68 2vnt s LYS 84 Ca -0.13 -0.46 0.04 0.00 -0.36 0.00 0.00 55.97 55.05 2vnt s LYS 84 Cb -0.16 -2.90 -0.01 0.00 -1.51 0.00 0.00 37.83 33.25 2vnt s LYS 84 CO 0.05 0.41 -0.12 -0.06 -0.36 0.00 0.00 175.35 175.28 2vnt s PHE 85 N -0.09 1.03 0.66 4.03 0.08 0.14 -4.57 117.98 119.27 2vnt s PHE 85 Ca 0.03 -0.21 -0.11 0.00 0.12 0.00 0.00 56.93 56.76 2vnt s PHE 85 Cb -0.13 -0.66 -0.01 0.00 -0.57 0.00 0.00 43.02 41.65 2vnt s PHE 85 CO 0.02 -0.01 1.05 -1.21 -0.10 0.00 0.00 175.22 174.97 2vnt s GLU 86 N -0.38 3.21 -0.31 0.44 0.41 -0.16 -1.60 118.70 120.31 2vnt s GLU 86 Ca 0.04 0.73 -0.09 0.00 -0.41 0.00 0.00 54.97 55.24 2vnt s GLU 86 Cb -0.05 -2.04 0.00 0.00 -1.78 0.00 0.00 34.13 30.26 2vnt s GLU 86 CO -0.00 -0.84 0.14 0.08 -0.49 0.00 0.00 175.26 174.14 2vnt s VAL 87 N -3.18 4.44 -0.55 2.63 1.01 -1.26 -2.09 120.40 121.40 2vnt s VAL 87 Ca 0.57 -0.54 0.23 0.00 0.00 0.00 0.00 61.98 62.24 2vnt s VAL 87 Cb -0.12 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2vnt s VAL 87 CO 0.54 0.03 1.14 -0.62 0.00 0.00 0.00 175.10 176.19 2vnt n GLU 88 N 4.96 0.34 -3.63 2.72 -0.58 0.15 -4.64 120.64 119.96 2vnt n GLU 88 Ca -0.14 0.05 -0.03 0.00 -0.42 0.00 0.00 57.16 56.62 2vnt n GLU 88 Cb 0.48 -1.66 -0.05 0.00 -0.57 0.00 0.00 31.44 29.64 2vnt n GLU 88 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2vnt s ASN 89 N -4.27 -1.01 -0.37 1.62 3.04 -1.24 -4.97 114.94 107.75 2vnt s ASN 89 Ca 0.04 1.47 0.01 0.00 0.04 0.00 0.00 52.86 54.41 2vnt s ASN 89 Cb 0.13 1.87 0.10 0.00 -1.54 0.00 0.00 41.25 41.82 2vnt s ASN 89 CO 0.77 -0.22 0.12 -0.22 -3.04 0.00 0.00 177.10 174.51 2vnt s LEU 90 N 2.33 4.95 -0.26 3.21 2.96 -1.26 -0.70 118.68 129.90 2vnt s LEU 90 Ca -0.07 -2.06 -0.09 0.00 -0.22 0.00 0.00 54.13 51.69 2vnt s LEU 90 Cb -0.09 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2vnt s LEU 90 CO -0.19 -0.45 0.11 0.27 -1.32 0.00 0.00 176.35 174.77 2vnt s ILE 91 N 1.03 4.67 0.30 6.68 -4.36 0.36 -4.96 121.20 124.92 2vnt s ILE 91 Ca 0.09 -0.05 0.06 0.00 -0.26 0.00 0.00 60.65 60.49 2vnt s ILE 91 Cb -0.21 -3.20 -0.02 0.00 1.25 0.00 0.00 42.46 40.29 2vnt s ILE 91 CO -0.06 0.31 0.44 -0.76 0.24 0.00 0.00 174.94 175.11 2vnt s LEU 92 N 1.64 4.09 -0.07 0.37 1.43 -1.26 -0.71 118.68 124.17 2vnt s LEU 92 Ca 0.07 -0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 52.82 2vnt s LEU 92 Cb -0.15 -2.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 2vnt s LEU 92 CO 0.06 -0.30 0.91 -2.28 0.23 0.00 0.00 176.35 174.97 2vnt s HIS 93 N -2.12 3.57 0.40 0.29 5.65 -1.15 -4.92 115.29 117.00 2vnt s HIS 93 Ca 0.41 1.51 0.12 0.00 0.25 0.00 0.00 55.06 57.35 2vnt s HIS 93 Cb -0.09 -3.06 0.93 0.00 -1.18 0.00 0.00 32.58 29.18 2vnt s HIS 93 CO 0.31 -0.09 1.94 1.57 -0.65 0.00 0.00 174.74 177.82 2vnt h LYS 94 N 6.96 0.52 -0.83 2.88 -0.00 -1.94 -2.29 116.57 121.88 2vnt h LYS 94 Ca -0.36 -0.03 -0.52 0.00 -0.00 0.00 0.00 60.65 59.73 2vnt h LYS 94 Cb 1.18 -0.12 -0.28 0.00 -0.00 0.00 0.00 32.23 33.01 2vnt h LYS 94 CO 0.79 0.35 0.37 -0.25 -0.00 0.00 0.00 179.45 180.71 2vnt n ASP 95 N -4.49 5.23 -4.78 7.07 8.00 -1.26 -4.98 116.55 121.33 2vnt n ASP 95 Ca 0.13 -3.74 -0.34 0.00 0.71 0.00 0.00 54.79 51.55 2vnt n ASP 95 Cb 0.40 -0.78 0.01 0.00 -0.02 0.00 0.00 41.12 40.73 2vnt n ASP 95 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2vnt s TYR 96 N -3.55 2.78 0.01 1.24 5.04 -0.86 -4.62 117.35 117.39 2vnt s TYR 96 Ca 0.57 1.54 -0.28 0.00 -2.44 0.00 0.00 57.07 56.46 2vnt s TYR 96 Cb 0.47 -3.16 0.08 0.00 0.35 0.00 0.00 41.96 39.69 2vnt s TYR 96 CO 0.03 -1.38 0.69 -1.54 -1.34 0.00 0.00 175.55 172.01 2vnt s SER 97 N -2.23 -0.60 0.09 4.32 1.04 -0.77 -5.00 113.70 110.55 2vnt s SER 97 Ca 0.68 0.43 -0.05 0.00 0.48 0.00 0.00 55.95 57.50 2vnt s SER 97 Cb -0.20 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 2vnt s SER 97 CO 0.32 -0.71 0.11 0.00 0.98 0.00 0.00 173.24 173.94 2vnt s ALA 98 N -2.10 0.21 0.00 5.32 0.00 -1.26 -0.51 121.76 123.41 2vnt s ALA 98 Ca -0.06 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2vnt s ALA 98 Cb -0.00 0.53 0.00 0.00 0.00 0.00 0.00 23.12 23.64 2vnt s ALA 98 CO 0.01 -0.48 0.00 -0.40 0.00 0.00 0.00 175.76 174.89 2vnt n ASP 99 N -0.03 0.00 0.11 0.00 3.85 -0.86 -4.99 116.55 114.62 2vnt n ASP 99 Ca -0.12 0.00 0.11 0.00 -0.71 0.00 0.00 54.79 54.07 2vnt n ASP 99 Cb 0.62 0.00 0.46 0.00 -1.35 0.00 0.00 41.12 40.85 2vnt n ASP 99 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 2vnt n THR 100 N 0.00 0.80 0.03 2.12 -2.24 -1.26 -4.51 114.28 109.22 2vnt n THR 100 Ca 0.00 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2vnt n THR 100 Cb 0.00 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 2vnt n THR 100 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2vnt n LEU 101 N -2.13 0.04 -4.89 3.22 0.00 -1.26 -5.13 117.00 106.85 2vnt n LEU 101 Ca 0.03 0.09 -0.30 0.00 0.00 0.00 0.00 56.01 55.83 2vnt n LEU 101 Cb 0.25 0.05 -0.03 0.00 0.00 0.00 0.00 43.42 43.68 2vnt n LEU 101 CO 0.20 -0.45 0.29 0.00 0.00 0.00 0.00 177.39 177.43 2vnt s ALA 102 N -2.00 3.52 -0.02 1.96 0.00 -1.26 -4.70 121.76 119.26 2vnt s ALA 102 Ca 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 51.96 51.61 2vnt s ALA 102 Cb 0.00 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.65 2vnt s ALA 102 CO 0.00 0.18 -0.17 -1.01 0.00 0.00 0.00 175.76 174.76 2vnt s HIS 103 N -2.16 1.55 0.03 0.00 3.76 -1.26 -2.03 115.29 115.18 2vnt s HIS 103 Ca 0.47 -0.31 0.06 0.00 -0.15 0.00 0.00 55.06 55.13 2vnt s HIS 103 Cb -0.11 -1.00 -0.02 0.00 1.11 0.00 0.00 32.58 32.56 2vnt s HIS 103 CO 0.29 -0.05 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.38 2vnt s HIS 104 N -0.34 1.55 -1.45 1.40 2.46 0.33 -4.55 115.29 114.69 2vnt s HIS 104 Ca 0.05 -0.35 -0.12 0.00 0.47 0.00 0.00 55.06 55.11 2vnt s HIS 104 Cb -0.07 -0.93 0.08 0.00 -0.13 0.00 0.00 32.58 31.53 2vnt s HIS 104 CO -0.00 0.05 0.70 0.09 -2.47 0.00 0.00 174.74 173.11 2vnt n ASN 105 N 2.00 -4.22 -4.57 9.88 3.02 -1.26 -1.85 115.26 118.26 2vnt n ASN 105 Ca -0.17 -0.59 -0.41 0.00 -0.03 0.00 0.00 54.58 53.38 2vnt n ASN 105 Cb 0.54 -3.43 -0.02 0.00 -0.61 0.00 0.00 39.78 36.26 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 -2.98 6.56 -0.28 6.41 2.15 -1.26 -4.57 116.67 122.71 2vnt s ASP 106 Ca 0.53 -1.94 -0.20 0.00 0.43 0.00 0.00 52.55 51.36 2vnt s ASP 106 Cb -0.27 -2.58 0.08 0.00 -0.30 0.00 0.00 42.92 39.86 2vnt s ASP 106 CO 0.65 -1.45 0.75 -0.51 -0.17 0.00 0.00 175.17 174.43 2vnt s ILE 107 N 5.06 0.00 0.02 4.11 2.07 -1.26 -4.21 121.20 126.99 2vnt s ILE 107 Ca 0.52 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.68 2vnt s ILE 107 Cb 0.02 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.61 2vnt s ILE 107 CO 0.00 0.00 0.15 0.00 -1.91 0.00 0.00 174.94 173.18 2vnt s ALA 108 N 0.98 -0.29 -0.03 1.50 0.00 -0.61 -2.95 121.76 120.36 2vnt s ALA 108 Ca -0.05 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 51.73 2vnt s ALA 108 Cb -0.05 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 2vnt s ALA 108 CO -0.10 -0.27 -0.24 -0.51 0.00 0.00 0.00 175.76 174.64 2vnt s LEU 109 N -1.71 2.04 -0.17 0.00 1.43 0.11 -1.61 118.68 118.77 2vnt s LEU 109 Ca -0.10 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2vnt s LEU 109 Cb -0.05 -1.27 0.03 0.00 0.03 0.00 0.00 46.19 44.93 2vnt s LEU 109 CO -0.01 0.27 -0.15 -0.76 0.23 0.00 0.00 176.35 175.93 2vnt s LEU 110 N -0.38 2.04 -0.15 1.79 1.02 -0.33 -0.49 118.68 122.18 2vnt s LEU 110 Ca 0.04 -0.67 -0.26 0.00 0.02 0.00 0.00 54.13 53.25 2vnt s LEU 110 Cb -0.11 -1.29 -0.02 0.00 0.02 0.00 0.00 46.19 44.79 2vnt s LEU 110 CO 0.01 -0.07 0.87 -0.75 0.02 0.00 0.00 176.35 176.43 2vnt s LYS 111 N 1.39 4.34 0.13 1.70 2.47 0.12 -1.63 119.74 128.26 2vnt s LYS 111 Ca 0.03 1.10 0.06 0.00 -1.56 0.00 0.00 55.97 55.60 2vnt s LYS 111 Cb -0.14 -3.56 -0.04 0.00 -1.46 0.00 0.00 37.83 32.63 2vnt s LYS 111 CO -0.10 -0.30 -0.02 0.96 0.16 0.00 0.00 175.35 176.04 2vnt s ILE 112 N 2.02 3.73 -0.29 5.43 -4.36 0.60 0.33 121.20 128.68 2vnt s ILE 112 Ca 0.41 -1.25 -0.15 0.00 -0.26 0.00 0.00 60.65 59.39 2vnt s ILE 112 Cb -0.17 -2.82 0.12 0.00 1.25 0.00 0.00 42.46 40.84 2vnt s ILE 112 CO 0.14 0.01 0.81 -0.60 0.24 0.00 0.00 174.94 175.55 2vnt s ARG 113 N -2.57 0.54 1.03 0.37 3.52 -0.89 -4.63 118.95 116.32 2vnt s ARG 113 Ca 0.25 1.01 -0.13 0.00 -0.13 0.00 0.00 55.73 56.73 2vnt s ARG 113 Cb -0.10 0.23 0.20 0.00 -1.56 0.00 0.00 34.95 33.72 2vnt s ARG 113 CO 0.17 -0.13 1.10 -1.54 -0.81 0.00 0.00 175.30 174.09 2vnt s SER 114 N 1.75 2.37 0.36 -2.12 1.04 0.37 -0.99 113.70 116.48 2vnt s SER 114 Ca -0.09 1.10 0.05 0.00 0.48 0.00 0.00 55.95 57.50 2vnt s SER 114 Cb -0.05 -1.73 0.70 0.00 0.10 0.00 0.00 66.02 65.04 2vnt s SER 114 CO -0.18 -3.28 1.94 0.07 0.98 0.00 0.00 173.24 172.77 2vnt h LYS 115 N -2.00 0.52 0.00 4.02 2.10 -1.89 -0.32 116.57 119.01 2vnt h LYS 115 Ca -0.54 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.03 2vnt h LYS 115 Cb 1.33 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2vnt h LYS 115 CO 0.56 0.48 0.00 0.39 -2.00 0.00 0.00 179.45 178.88 2vnt n GLU 116 N -4.35 0.03 -1.61 0.07 1.02 -1.26 -4.84 120.64 109.70 2vnt n GLU 116 Ca 0.02 0.26 -0.08 0.00 -0.02 0.00 0.00 57.16 57.34 2vnt n GLU 116 Cb 0.18 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.13 0.61 3.60 0.62 0.00 -0.13 -5.04 105.19 103.73 2vnt n GLY 117 Ca 0.01 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 2vnt n GLY 117 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2vnt s ARG 118 N -3.40 1.95 0.71 1.61 1.70 -1.26 -4.77 118.95 115.49 2vnt s ARG 118 Ca 0.00 -1.94 -0.04 0.00 -0.47 0.00 0.00 55.73 53.28 2vnt s ARG 118 Cb 0.00 -1.75 0.15 0.00 -0.57 0.00 0.00 34.95 32.77 2vnt s ARG 118 CO 0.00 0.06 0.97 0.00 -1.08 0.00 0.00 175.30 175.25 2vnt s ALA 120 N -3.34 2.22 -0.00 0.00 0.00 -0.47 -4.85 121.76 115.31 2vnt s ALA 120 Ca 0.61 1.07 -0.01 0.00 0.00 0.00 0.00 51.96 53.63 2vnt s ALA 120 Cb -0.03 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 2vnt s ALA 120 CO 0.41 -1.78 0.02 1.14 0.00 0.00 0.00 175.76 175.55 2vnt s GLN 121 N -3.64 0.12 0.53 0.00 -2.07 -1.26 -4.81 119.66 108.53 2vnt s GLN 121 Ca 0.79 -0.14 -0.20 0.00 -1.82 0.00 0.00 55.36 53.99 2vnt s GLN 121 Cb -0.34 0.05 -0.06 0.00 -1.09 0.00 0.00 33.01 31.57 2vnt s GLN 121 CO 0.43 -0.02 1.16 -1.25 -1.32 0.00 0.00 175.29 174.29 2vnt s PRO 122 N -0.41 3.37 0.19 9.60 0.04 -1.26 -4.82 135.00 141.71 2vnt s PRO 122 Ca -0.05 1.71 -0.20 0.00 0.04 0.00 0.00 61.00 62.50 2vnt s PRO 122 Cb -0.03 -2.09 0.07 0.00 0.04 0.00 0.00 34.50 32.49 2vnt s PRO 122 CO -0.00 -0.85 0.96 -1.13 0.04 0.00 0.00 177.00 176.02 2vnt n SER 123 N -1.16 -1.67 0.32 6.66 3.41 -0.88 -4.88 113.62 115.43 2vnt n SER 123 Ca 0.11 -1.90 0.22 0.00 -0.26 0.00 0.00 58.87 57.04 2vnt n SER 123 Cb 0.50 2.72 1.10 0.00 -0.26 0.00 0.00 64.21 68.26 2vnt n SER 123 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2vnt h ARG 124 N 0.00 0.00 -0.02 4.33 0.11 -2.00 -2.32 114.38 114.48 2vnt h ARG 124 Ca -0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.82 2vnt h ARG 124 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 2vnt h ARG 124 CO 0.35 0.00 -0.08 0.25 0.10 0.00 0.00 179.97 180.59 2vnt n THR 125 N -3.09 0.00 -3.74 0.08 -2.24 -1.26 -4.57 114.28 99.45 2vnt n THR 125 Ca -0.02 -0.46 -0.24 0.00 -2.27 0.00 0.00 64.05 61.06 2vnt n THR 125 Cb 0.13 1.27 -0.17 0.00 -2.10 0.00 0.00 70.33 69.46 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 -1.38 0.36 0.15 2.28 1.01 -0.87 -3.71 121.20 119.03 2vnt s ILE 126 Ca 0.16 -0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.56 2vnt s ILE 126 Cb 0.12 -0.66 0.03 0.00 0.01 0.00 0.00 42.46 41.96 2vnt s ILE 126 CO 0.23 0.08 0.44 -1.58 0.00 0.00 0.00 174.94 174.11 2vnt s GLN 127 N 1.96 1.16 0.25 2.79 2.00 -1.08 -2.07 119.66 124.68 2vnt s GLN 127 Ca 0.03 -0.75 0.02 0.00 -2.00 0.00 0.00 55.36 52.67 2vnt s GLN 127 Cb -0.14 0.49 -0.03 0.00 0.80 0.00 0.00 33.01 34.12 2vnt s GLN 127 CO -0.06 -0.47 0.41 0.95 -0.50 0.00 0.00 175.29 175.62 2vnt s THR 128 N -3.82 5.22 0.28 -0.34 -4.23 -1.26 -3.52 115.64 107.96 2vnt s THR 128 Ca 0.05 -0.70 0.06 0.00 -1.18 0.00 0.00 61.69 59.93 2vnt s THR 128 Cb 0.01 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 2vnt s THR 128 CO -0.09 -0.33 0.30 -0.63 -0.54 0.00 0.00 174.62 173.32 2vnt s ILE 129 N -2.02 4.45 0.14 2.99 1.09 -0.71 -1.00 121.20 126.15 2vnt s ILE 129 Ca 0.36 -1.23 -0.15 0.00 -1.10 0.00 0.00 60.65 58.54 2vnt s ILE 129 Cb -0.10 -3.49 -0.07 0.00 -1.06 0.00 0.00 42.46 37.74 2vnt s ILE 129 CO 0.31 -0.29 0.56 0.00 -0.10 0.00 0.00 174.94 175.42 2vnt s LEU 131 N -1.87 4.34 1.01 0.00 1.43 -1.26 -0.17 118.68 122.17 2vnt s LEU 131 Ca 0.37 1.12 -0.12 0.00 -1.03 0.00 0.00 54.13 54.47 2vnt s LEU 131 Cb -0.16 -3.29 0.20 0.00 0.03 0.00 0.00 46.19 42.97 2vnt s LEU 131 CO 0.19 0.10 1.08 -2.16 0.23 0.00 0.00 176.35 175.79 2vnt s PRO 132 N -1.94 0.32 0.42 1.29 0.04 -1.26 -4.90 135.00 128.97 2vnt s PRO 132 Ca 0.38 0.94 -0.09 0.00 0.04 0.00 0.00 61.00 62.27 2vnt s PRO 132 Cb -0.15 -1.69 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 2vnt s PRO 132 CO 0.19 -2.92 0.76 -1.12 0.04 0.00 0.00 177.00 173.96 2vnt s SER 133 N -2.95 6.45 -0.29 6.66 0.01 -1.26 -4.92 113.70 117.40 2vnt s SER 133 Ca 0.66 1.05 -0.39 0.00 1.31 0.00 0.00 55.95 58.58 2vnt s SER 133 Cb -0.21 -2.29 -0.14 0.00 0.21 0.00 0.00 66.02 63.58 2vnt s SER 133 CO 0.60 -0.43 1.89 0.23 0.41 0.00 0.00 173.24 175.94 2vnt n MET 134 N -1.53 1.20 -0.79 12.44 0.00 -1.26 -1.47 117.12 125.71 2vnt n MET 134 Ca 0.02 0.42 0.00 0.00 0.00 0.00 0.00 57.70 58.13 2vnt n MET 134 Cb 0.54 -2.22 0.00 0.00 0.00 0.00 0.00 33.22 31.54 2vnt n MET 134 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2vnt n TYR 135 N 6.71 0.00 -3.36 2.03 4.01 -0.86 -5.00 117.16 120.69 2vnt n TYR 135 Ca 0.31 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.66 2vnt n TYR 135 Cb 0.16 -0.65 -0.08 0.00 -0.31 0.00 0.00 39.34 38.46 2vnt n TYR 135 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2vnt s ASN 136 N -2.55 6.42 0.29 7.72 4.22 -0.54 -5.01 114.94 125.49 2vnt s ASN 136 Ca 0.00 0.50 0.10 0.00 -2.14 0.00 0.00 52.86 51.32 2vnt s ASN 136 Cb 0.00 -2.24 -0.05 0.00 1.28 0.00 0.00 41.25 40.24 2vnt s ASN 136 CO 0.00 -0.12 -0.06 -1.81 -2.04 0.00 0.00 177.10 173.07 2vnt s ASP 137 N 1.19 4.13 1.24 3.54 1.01 -1.26 -4.57 116.67 121.96 2vnt s ASP 137 Ca 0.19 -0.87 -0.17 0.00 0.71 0.00 0.00 52.55 52.41 2vnt s ASP 137 Cb -0.15 -0.58 0.30 0.00 1.01 0.00 0.00 42.92 43.50 2vnt s ASP 137 CO 0.08 -0.06 1.01 -2.84 0.21 0.00 0.00 175.17 173.58 2vnt s PRO 138 N -3.64 -1.52 0.63 8.23 0.02 -1.26 -5.05 135.00 132.42 2vnt s PRO 138 Ca 0.32 0.43 0.03 0.00 0.02 0.00 0.00 61.00 61.80 2vnt s PRO 138 Cb -0.04 -1.52 0.09 0.00 0.02 0.00 0.00 34.50 33.05 2vnt s PRO 138 CO 0.18 -4.01 0.87 -0.65 -0.33 0.00 0.00 177.00 173.06 2vnt s GLN 139 N -4.85 2.08 0.52 5.54 -1.52 -1.26 -5.01 119.66 115.16 2vnt s GLN 139 Ca 0.68 -1.24 -0.21 0.00 -1.95 0.00 0.00 55.36 52.65 2vnt s GLN 139 Cb -0.18 -2.48 -0.07 0.00 -0.22 0.00 0.00 33.01 30.05 2vnt s GLN 139 CO 0.61 -1.08 1.05 1.97 -0.25 0.00 0.00 175.29 177.59 2vnt n PHE 140 N -2.51 1.24 0.00 0.91 1.16 -1.26 -2.66 117.46 114.33 2vnt n PHE 140 Ca 0.14 0.48 0.00 0.00 -1.87 0.00 0.00 57.45 56.19 2vnt n PHE 140 Cb 0.61 -2.22 0.00 0.00 -1.61 0.00 0.00 39.48 36.26 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 1.14 3.12 3.64 4.97 0.00 -0.08 -4.96 105.19 113.02 2vnt n GLY 141 Ca 0.11 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.63 2vnt n GLY 141 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2vnt n THR 142 N -1.18 0.08 -2.70 2.61 -1.04 -1.09 -4.60 114.28 106.36 2vnt n THR 142 Ca 0.00 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.59 2vnt n THR 142 Cb 0.00 -1.24 -0.05 0.00 -1.82 0.00 0.00 70.33 67.22 2vnt n THR 142 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2vnt s SER 143 N 1.23 7.51 0.14 8.00 0.01 -1.26 -0.98 113.70 128.34 2vnt s SER 143 Ca 0.84 1.91 0.02 0.00 1.31 0.00 0.00 55.95 60.03 2vnt s SER 143 Cb -0.83 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 62.76 2vnt s SER 143 CO 0.45 -0.01 -0.04 0.00 0.41 0.00 0.00 173.24 174.04 2vnt s GLU 145 N -3.86 2.98 0.02 0.00 -1.05 0.79 -1.19 118.70 116.40 2vnt s GLU 145 Ca 0.17 -0.52 0.08 0.00 -0.15 0.00 0.00 54.97 54.55 2vnt s GLU 145 Cb 0.05 -2.81 -0.03 0.00 -0.44 0.00 0.00 34.13 30.91 2vnt s GLU 145 CO -0.00 0.64 -0.22 0.96 0.95 0.00 0.00 175.26 177.59 2vnt s ILE 146 N -1.17 2.48 0.08 1.83 -4.36 -0.73 -1.08 121.20 118.26 2vnt s ILE 146 Ca 0.22 -1.19 0.03 0.00 -0.26 0.00 0.00 60.65 59.45 2vnt s ILE 146 Cb -0.12 -1.99 -0.03 0.00 1.25 0.00 0.00 42.46 41.57 2vnt s ILE 146 CO 0.13 0.41 -0.09 0.28 0.24 0.00 0.00 174.94 175.91 2vnt s THR 147 N -0.81 0.80 0.00 8.37 -1.32 -1.23 -0.55 115.64 120.90 2vnt s THR 147 Ca 0.13 -1.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.07 2vnt s THR 147 Cb -0.10 -1.21 0.00 0.00 -1.51 0.00 0.00 72.50 69.68 2vnt s THR 147 CO 0.03 -0.55 0.00 0.61 -2.21 0.00 0.00 174.62 172.49 2vnt n GLY 148 N 0.72 -0.45 1.69 6.08 0.00 -0.46 -4.39 105.19 108.37 2vnt n GLY 148 Ca -0.17 -1.11 0.09 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.48 1.67 -1.60 1.61 3.72 -1.26 -1.79 117.46 119.33 2vnt n PHE 149 Ca 0.00 -0.63 -0.30 0.00 -0.05 0.00 0.00 57.45 56.47 2vnt n PHE 149 Cb 0.00 -0.32 0.20 0.00 -0.94 0.00 0.00 39.48 38.42 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 -0.85 1.70 0.49 1.37 0.00 -1.24 -3.98 107.32 104.80 2vnt s GLY 150 Ca 0.52 -1.08 -0.23 0.00 0.00 0.00 0.00 44.72 43.93 2vnt s GLY 150 CO 0.22 -0.28 1.25 0.28 0.00 0.00 0.00 173.10 174.58 2vnt n LYS 151 N -4.14 1.69 0.00 2.90 5.02 -0.11 -2.14 118.16 121.39 2vnt n LYS 151 Ca 0.14 0.61 0.11 0.00 -2.02 0.00 0.00 58.31 57.15 2vnt n LYS 151 Cb 0.59 -2.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.17 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 -0.46 0.64 -3.74 1.97 1.02 -1.24 -0.36 120.64 118.46 2vnt n GLU 152 Ca 0.09 -0.52 -0.12 0.00 -0.02 0.00 0.00 57.16 56.59 2vnt n GLU 152 Cb 0.42 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 30.23 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 -2.72 -0.30 0.37 1.62 2.47 -1.26 -4.43 114.94 110.68 2vnt s ASN 153 Ca 0.14 0.58 0.18 0.00 0.42 0.00 0.00 52.86 54.18 2vnt s ASN 153 Cb 0.17 0.51 1.15 0.00 -1.45 0.00 0.00 41.25 41.64 2vnt s ASN 153 CO 0.70 -0.14 1.67 0.77 -3.72 0.00 0.00 177.10 176.37 2vnt h SER 154 N 6.64 0.46 -0.06 -4.21 4.64 -1.90 -2.19 113.55 116.94 2vnt h SER 154 Ca -0.35 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2vnt h SER 154 Cb 1.17 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2vnt h SER 154 CO 0.35 -0.12 0.00 0.35 -0.87 0.00 0.00 176.83 176.54 2vnt n THR 155 N -4.94 0.06 -2.18 2.95 -2.24 -1.26 -4.93 114.28 101.74 2vnt n THR 155 Ca 0.32 -0.30 -0.35 0.00 -2.27 0.00 0.00 64.05 61.45 2vnt n THR 155 Cb 1.05 0.54 0.01 0.00 -2.10 0.00 0.00 70.33 69.83 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 -1.90 5.57 -0.21 3.42 -0.00 -0.83 -4.99 116.67 117.74 2vnt s ASP 156 Ca 0.36 2.22 -0.10 0.00 -0.00 0.00 0.00 52.55 55.03 2vnt s ASP 156 Cb 0.20 -2.58 -0.19 0.00 -0.00 0.00 0.00 42.92 40.35 2vnt s ASP 156 CO 0.32 -1.32 0.03 0.00 -0.00 0.00 0.00 175.17 174.20 2vnt n TYR 157 N -1.42 0.63 -3.17 4.23 4.11 -1.26 -4.99 117.16 115.29 2vnt n TYR 157 Ca 0.12 0.19 -0.26 0.00 -0.00 0.00 0.00 57.90 57.95 2vnt n TYR 157 Cb 0.51 -1.07 -0.01 0.00 -0.00 0.00 0.00 39.34 38.76 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 -7.23 3.92 0.27 -3.48 1.02 -1.26 -5.10 118.68 106.82 2vnt s LEU 158 Ca -0.31 0.63 -0.01 0.00 0.02 0.00 0.00 54.13 54.46 2vnt s LEU 158 Cb 0.09 -3.51 -0.04 0.00 0.02 0.00 0.00 46.19 42.75 2vnt s LEU 158 CO 0.62 -0.35 0.48 -0.31 0.02 0.00 0.00 176.35 176.81 2vnt s TYR 159 N -2.39 3.49 0.62 0.29 2.02 -1.26 -4.80 117.35 115.31 2vnt s TYR 159 Ca 0.43 0.41 -0.19 0.00 -0.37 0.00 0.00 57.07 57.35 2vnt s TYR 159 Cb -0.10 -1.92 -0.02 0.00 -0.40 0.00 0.00 41.96 39.51 2vnt s TYR 159 CO 0.37 0.25 1.30 -1.25 -1.57 0.00 0.00 175.55 174.65 2vnt s PRO 160 N -3.70 2.74 0.39 -1.71 0.04 -1.26 -4.93 135.00 126.57 2vnt s PRO 160 Ca 0.40 2.09 0.20 0.00 0.04 0.00 0.00 61.00 63.73 2vnt s PRO 160 Cb -0.10 -1.96 0.72 0.00 0.04 0.00 0.00 34.50 33.20 2vnt s PRO 160 CO 0.31 -1.46 1.74 0.93 0.04 0.00 0.00 177.00 178.57 2vnt h GLU 161 N 0.81 0.00 -5.92 4.56 3.07 -1.97 -3.43 114.58 111.71 2vnt h GLU 161 Ca -0.51 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 57.67 2vnt h GLU 161 Cb 1.32 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 28.99 2vnt h GLU 161 CO 0.54 0.32 -0.77 -1.14 -1.40 0.00 0.00 179.01 176.57 2vnt s GLN 162 N -3.57 2.86 0.39 2.33 2.00 -1.26 0.04 119.66 122.44 2vnt s GLN 162 Ca 0.01 -0.69 -0.25 0.00 -2.00 0.00 0.00 55.36 52.42 2vnt s GLN 162 Cb 0.10 -2.48 -0.11 0.00 0.80 0.00 0.00 33.01 31.32 2vnt s GLN 162 CO 0.67 0.46 1.02 -0.11 -0.50 0.00 0.00 175.29 176.83 2vnt n LEU 163 N 2.80 2.47 -4.34 3.68 7.94 0.06 -4.85 117.00 124.76 2vnt n LEU 163 Ca -0.18 1.07 -0.18 0.00 -1.11 0.00 0.00 56.01 55.61 2vnt n LEU 163 Cb 0.52 -1.35 -0.10 0.00 0.53 0.00 0.00 43.42 43.03 2vnt n LEU 163 CO 0.27 -1.43 -0.43 -0.54 -1.11 0.00 0.00 177.39 174.15 2vnt s LYS 164 N -1.92 1.31 0.00 1.96 1.02 -0.74 -1.06 119.74 120.31 2vnt s LYS 164 Ca 0.62 -1.59 -0.09 0.00 0.02 0.00 0.00 55.97 54.93 2vnt s LYS 164 Cb -0.58 -1.04 0.01 0.00 -0.52 0.00 0.00 37.83 35.70 2vnt s LYS 164 CO 0.58 0.15 0.18 0.00 -0.92 0.00 0.00 175.35 175.34 2vnt s MET 165 N -3.67 0.54 0.27 1.68 0.23 -0.20 -1.36 119.30 116.79 2vnt s MET 165 Ca 0.22 -0.37 0.05 0.00 -1.03 0.00 0.00 55.69 54.57 2vnt s MET 165 Cb 0.00 0.23 -0.02 0.00 -1.53 0.00 0.00 34.83 33.51 2vnt s MET 165 CO 0.06 -0.14 0.25 -2.37 -2.03 0.00 0.00 175.02 170.80 2vnt n THR 166 N 1.36 0.00 -4.60 3.16 5.66 0.29 -1.24 114.28 118.91 2vnt n THR 166 Ca -0.22 -1.86 -0.29 0.00 -3.05 0.00 0.00 64.05 58.63 2vnt n THR 166 Cb 0.56 0.95 -0.17 0.00 -1.55 0.00 0.00 70.33 70.13 2vnt n THR 166 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2vnt s VAL 167 N -3.02 1.63 0.14 1.08 -7.23 -1.26 -1.77 120.40 109.96 2vnt s VAL 167 Ca 0.30 -0.73 0.06 0.00 -1.81 0.00 0.00 61.98 59.81 2vnt s VAL 167 Cb 0.01 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 2vnt s VAL 167 CO 0.22 0.47 -0.15 0.68 -0.31 0.00 0.00 175.10 176.01 2vnt s VAL 168 N 0.84 1.46 -0.03 1.32 -7.23 -0.34 -4.73 120.40 111.69 2vnt s VAL 168 Ca -0.09 -1.84 -0.02 0.00 -1.81 0.00 0.00 61.98 58.22 2vnt s VAL 168 Cb -0.15 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 2vnt s VAL 168 CO 0.00 -0.44 0.10 -0.54 -0.31 0.00 0.00 175.10 173.91 2vnt s LYS 169 N -2.89 3.19 0.22 4.82 1.02 0.02 -0.28 119.74 125.84 2vnt s LYS 169 Ca 0.12 -0.38 -0.31 0.00 0.02 0.00 0.00 55.97 55.42 2vnt s LYS 169 Cb -0.04 -2.95 -0.11 0.00 -0.52 0.00 0.00 37.83 34.21 2vnt s LYS 169 CO 0.04 0.68 1.57 -0.51 -0.92 0.00 0.00 175.35 176.21 2vnt s LEU 170 N -1.56 4.37 0.15 3.17 1.02 -0.16 -0.72 118.68 124.96 2vnt s LEU 170 Ca 0.21 2.74 0.04 0.00 0.02 0.00 0.00 54.13 57.14 2vnt s LEU 170 Cb -0.12 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.44 2vnt s LEU 170 CO 0.12 -0.84 0.17 -0.63 0.02 0.00 0.00 176.35 175.20 2vnt s ILE 171 N 0.63 4.72 0.54 -0.59 1.01 0.29 -0.90 121.20 126.90 2vnt s ILE 171 Ca 0.67 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 60.41 2vnt s ILE 171 Cb -0.45 -3.41 0.04 0.00 0.01 0.00 0.00 42.46 38.65 2vnt s ILE 171 CO 0.38 -0.08 0.30 -1.54 0.00 0.00 0.00 174.94 173.99 2vnt n SER 172 N -0.33 2.94 0.00 3.58 3.41 -1.26 -4.28 113.62 117.67 2vnt n SER 172 Ca -0.08 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 2vnt n SER 172 Cb 0.54 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 2vnt n SER 172 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2vnt n HIS 173 N -1.65 0.00 -0.36 7.33 -0.00 -1.26 0.20 115.22 119.48 2vnt n HIS 173 Ca -0.07 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.05 2vnt n HIS 173 Cb 0.63 0.16 -0.04 0.00 -0.12 0.00 0.00 29.99 30.63 2vnt n HIS 173 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 2vnt n ARG 174 N -2.73 -0.31 0.06 1.57 1.85 -1.26 -1.32 116.66 114.52 2vnt n ARG 174 Ca 0.00 1.33 -0.14 0.00 -1.00 0.00 0.00 57.85 58.05 2vnt n ARG 174 Cb 0.31 -1.97 -0.14 0.00 -1.05 0.00 0.00 32.46 29.62 2vnt n ARG 174 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 2vnt h GLU 175 N 0.00 0.17 0.00 2.89 4.81 -1.84 -3.30 114.58 117.31 2vnt h GLU 175 Ca 0.21 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 2vnt h GLU 175 Cb 0.43 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2vnt h GLU 175 CO -0.84 1.04 -0.22 0.00 -0.73 0.00 0.00 179.01 178.26 2vnt n GLN 177 N -3.33 2.28 -3.00 0.00 10.64 -0.43 -1.95 117.38 121.59 2vnt n GLN 177 Ca 0.01 -2.42 -0.39 0.00 -1.83 0.00 0.00 57.00 52.37 2vnt n GLN 177 Cb 0.46 -1.96 -0.06 0.00 -0.86 0.00 0.00 30.24 27.81 2vnt n GLN 177 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 2vnt s GLN 178 N -2.60 4.50 0.25 2.61 -0.21 -1.04 -4.26 119.66 118.91 2vnt s GLN 178 Ca 0.45 1.10 -0.03 0.00 0.02 0.00 0.00 55.36 56.90 2vnt s GLN 178 Cb 0.38 -3.15 0.51 0.00 1.00 0.00 0.00 33.01 31.74 2vnt s GLN 178 CO 0.09 0.52 1.36 -2.30 -2.12 0.00 0.00 175.29 172.84 2vnt n PRO 179 N 1.35 -0.07 0.01 2.91 -0.01 -1.26 -0.93 135.00 136.99 2vnt n PRO 179 Ca -0.05 1.33 0.12 0.00 -0.01 0.00 0.00 63.50 64.90 2vnt n PRO 179 Cb 0.49 -2.04 0.52 0.00 -0.01 0.00 0.00 33.50 32.45 2vnt n PRO 179 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 175.50 173.10 2vnt n HIS 180 N -5.35 0.10 0.00 6.00 1.44 -1.26 -4.20 115.22 111.95 2vnt n HIS 180 Ca 0.17 0.03 0.00 0.00 -2.01 0.00 0.00 57.72 55.91 2vnt n HIS 180 Cb 0.53 -0.55 0.00 0.00 0.12 0.00 0.00 29.99 30.09 2vnt n HIS 180 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2vnt n TYR 181 N -1.58 0.00 0.24 -1.40 4.02 -0.11 -4.85 117.16 113.48 2vnt n TYR 181 Ca 0.06 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.98 2vnt n TYR 181 Cb 0.30 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.58 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 0.00 0.00 -0.72 4.01 -0.82 -4.97 117.16 114.66 2vnt n TYR 182 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2vnt n TYR 182 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 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 1.36 3.59 0.00 2.72 0.00 -0.86 -1.89 105.19 110.11 2vnt n GLY 183 Ca 0.01 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 7.58 0.01 -0.01 1.61 3.41 -1.26 -3.70 113.62 121.26 2vnt n SER 184 Ca 0.00 0.14 0.03 0.00 -0.26 0.00 0.00 58.87 58.79 2vnt n SER 184 Cb 0.00 -0.37 0.40 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.01 0.55 -5.74 4.33 4.39 -1.77 -3.41 114.58 112.95 2vnt h GLU 185 Ca 0.00 -0.04 -0.59 0.00 0.34 0.00 0.00 59.36 59.07 2vnt h GLU 185 Cb 0.39 -0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 28.83 2vnt h GLU 185 CO 0.00 0.39 0.09 0.08 -1.16 0.00 0.00 179.01 178.41 2vnt s VAL 186 N -5.45 5.04 0.56 3.13 1.01 -1.24 -4.94 120.40 118.51 2vnt s VAL 186 Ca -0.08 1.22 0.09 0.00 0.00 0.00 0.00 61.98 63.20 2vnt s VAL 186 Cb 0.17 -3.95 0.07 0.00 0.00 0.00 0.00 36.38 32.67 2vnt s VAL 186 CO 0.74 0.15 0.70 0.42 0.00 0.00 0.00 175.10 177.12 2vnt s THR 187 N 1.60 2.06 0.23 3.92 -4.23 -1.26 -4.93 115.64 113.02 2vnt s THR 187 Ca 0.30 -1.11 0.27 0.00 -1.18 0.00 0.00 61.69 59.97 2vnt s THR 187 Cb -0.16 -2.16 0.28 0.00 1.34 0.00 0.00 72.50 71.79 2vnt s THR 187 CO 0.12 0.00 1.93 0.71 -0.54 0.00 0.00 174.62 176.84 2vnt h THR 188 N 0.31 0.48 -0.07 3.99 1.35 -1.99 -2.84 112.91 114.14 2vnt h THR 188 Ca -0.31 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 2vnt h THR 188 Cb 1.29 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 2vnt h THR 188 CO 0.44 0.16 0.00 0.29 -0.25 0.00 0.00 175.52 176.16 2vnt n LYS 189 N -3.42 1.27 -4.33 4.72 4.76 -1.26 -4.85 118.16 115.05 2vnt n LYS 189 Ca -0.00 -0.30 -0.21 0.00 -2.87 0.00 0.00 58.31 54.92 2vnt n LYS 189 Cb 0.35 -1.25 -0.11 0.00 -1.84 0.00 0.00 35.03 32.18 2vnt n LYS 189 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2vnt s MET 190 N -1.64 1.26 0.02 1.97 -1.94 -1.07 -0.39 119.30 117.51 2vnt s MET 190 Ca 0.05 -1.41 0.02 0.00 -1.71 0.00 0.00 55.69 52.64 2vnt s MET 190 Cb 0.03 -1.28 -0.01 0.00 2.01 0.00 0.00 34.83 35.58 2vnt s MET 190 CO 0.03 0.25 -0.07 -0.48 -0.01 0.00 0.00 175.02 174.74 2vnt s LEU 191 N -2.71 2.13 -0.14 -0.03 0.05 0.74 -4.73 118.68 113.99 2vnt s LEU 191 Ca 0.16 -0.32 -0.06 0.00 0.05 0.00 0.00 54.13 53.96 2vnt s LEU 191 Cb -0.05 -0.27 -0.04 0.00 -2.05 0.00 0.00 46.19 43.78 2vnt s LEU 191 CO 0.06 -0.05 0.09 0.00 -0.55 0.00 0.00 176.35 175.90 2vnt s ALA 193 N -0.45 1.07 0.16 0.00 0.00 -0.88 -0.55 121.76 121.12 2vnt s ALA 193 Ca 0.10 -0.68 -0.19 0.00 0.00 0.00 0.00 51.96 51.20 2vnt s ALA 193 Cb -0.12 -0.21 0.04 0.00 0.00 0.00 0.00 23.12 22.84 2vnt s ALA 193 CO 0.02 0.22 0.51 0.00 0.00 0.00 0.00 175.76 176.51 2vnt s ALA 194 N -0.60 -1.17 -0.10 0.00 0.00 0.11 -1.86 121.76 118.14 2vnt s ALA 194 Ca 0.03 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.78 2vnt s ALA 194 Cb -0.06 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 2vnt s ALA 194 CO 0.00 -0.74 1.29 0.34 0.00 0.00 0.00 175.76 176.66 2vnt s ASP 195 N -2.81 6.95 -1.13 0.00 3.68 -1.25 -0.80 116.67 121.30 2vnt s ASP 195 Ca 0.04 1.83 -0.16 0.00 2.13 0.00 0.00 52.55 56.40 2vnt s ASP 195 Cb -0.00 -2.55 0.15 0.00 -1.45 0.00 0.00 42.92 39.07 2vnt s ASP 195 CO -0.09 -0.71 1.37 -2.16 0.13 0.00 0.00 175.17 173.71 2vnt s PRO 196 N 2.95 3.94 -0.05 4.34 0.04 -1.26 -3.82 135.00 141.14 2vnt s PRO 196 Ca 0.58 -2.28 -0.26 0.00 0.04 0.00 0.00 61.00 59.07 2vnt s PRO 196 Cb -0.25 -5.07 0.06 0.00 0.04 0.00 0.00 34.50 29.28 2vnt s PRO 196 CO 0.20 -1.82 0.58 -0.65 0.04 0.00 0.00 177.00 175.35 2vnt s GLN 197 N 2.16 0.95 -0.39 4.56 -1.52 -1.26 -5.07 119.66 119.08 2vnt s GLN 197 Ca 0.41 0.16 0.11 0.00 -1.95 0.00 0.00 55.36 54.08 2vnt s GLN 197 Cb -0.03 0.44 0.35 0.00 -0.22 0.00 0.00 33.01 33.56 2vnt s GLN 197 CO -0.02 -0.28 0.90 0.91 -0.25 0.00 0.00 175.29 176.54 2vnt n TRP 198 N 1.06 -0.74 -0.05 0.91 7.02 -1.25 -5.03 117.44 119.36 2vnt n TRP 198 Ca -0.20 -3.14 -0.02 0.00 -1.02 0.00 0.00 57.50 53.13 2vnt n TRP 198 Cb 0.57 0.28 -0.12 0.00 -2.42 0.00 0.00 31.31 29.62 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 0.23 1.19 -4.36 -0.99 4.76 -1.26 -4.57 118.16 113.15 2vnt n LYS 199 Ca 0.17 -0.06 -0.29 0.00 -2.87 0.00 0.00 58.31 55.26 2vnt n LYS 199 Cb 0.70 -1.38 -0.12 0.00 -1.84 0.00 0.00 35.03 32.39 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 -2.63 2.48 -0.25 -0.18 -1.32 -1.26 -4.36 115.64 108.12 2vnt s THR 200 Ca -0.07 -1.70 -0.37 0.00 -1.21 0.00 0.00 61.69 58.34 2vnt s THR 200 Cb 0.06 -2.12 0.15 0.00 -1.51 0.00 0.00 72.50 69.08 2vnt s THR 200 CO 0.62 0.07 1.34 -0.62 -2.21 0.00 0.00 174.62 173.82 2vnt s ASP 201 N -2.16 -0.04 0.82 8.08 2.15 -1.12 -3.84 116.67 120.56 2vnt s ASP 201 Ca 0.16 -0.00 -0.11 0.00 0.43 0.00 0.00 52.55 53.03 2vnt s ASP 201 Cb -0.10 0.04 0.08 0.00 -0.30 0.00 0.00 42.92 42.65 2vnt s ASP 201 CO 0.08 -0.07 1.09 -0.94 -0.17 0.00 0.00 175.17 175.16 2vnt s SER 202 N -2.11 4.13 0.07 -0.34 1.04 -1.26 -1.02 113.70 114.20 2vnt s SER 202 Ca 0.11 1.62 -0.00 0.00 0.48 0.00 0.00 55.95 58.16 2vnt s SER 202 Cb -0.01 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2vnt s SER 202 CO -0.03 -2.24 0.09 0.00 0.98 0.00 0.00 173.24 172.04 2vnt n GLN 204 N -0.11 2.68 0.00 0.00 7.27 -1.26 -1.30 117.38 124.67 2vnt n GLN 204 Ca 0.00 0.97 0.00 0.00 0.07 0.00 0.00 57.00 58.04 2vnt n GLN 204 Cb 0.11 -2.80 0.00 0.00 2.41 0.00 0.00 30.24 29.97 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 3.71 1.20 0.05 1.69 0.00 -1.26 -0.93 105.19 109.65 2vnt n GLY 205 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 0.48 -4.59 1.61 8.00 -0.42 -3.73 116.55 117.91 2vnt n ASP 206 Ca 0.00 -0.25 -0.44 0.00 0.71 0.00 0.00 54.79 54.81 2vnt n ASP 206 Cb 0.00 0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.15 2vnt n ASP 206 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2vnt n SER 207 N -1.31 1.30 0.00 -2.24 2.88 -1.26 -2.27 113.62 110.72 2vnt n SER 207 Ca 0.08 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 2vnt n SER 207 Cb 0.33 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 2vnt n SER 207 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2vnt n GLY 208 N 1.20 2.06 3.98 0.46 0.00 0.69 -1.68 105.19 111.90 2vnt n GLY 208 Ca 0.09 0.00 -0.24 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 -2.00 1.76 0.26 -0.02 0.00 -0.96 -3.41 107.32 102.95 2vnt s GLY 209 Ca 0.00 -1.62 -0.29 0.00 0.00 0.00 0.00 44.72 42.81 2vnt s GLY 209 CO 0.00 -1.04 0.94 2.56 0.00 0.00 0.00 173.10 175.56 2vnt s PRO 210 N -5.23 4.79 -0.31 2.90 0.04 -1.26 -0.84 135.00 135.10 2vnt s PRO 210 Ca 0.67 1.46 0.01 0.00 0.04 0.00 0.00 61.00 63.17 2vnt s PRO 210 Cb -0.05 -3.17 0.07 0.00 0.04 0.00 0.00 34.50 31.39 2vnt s PRO 210 CO 0.45 0.46 0.01 -1.17 0.04 0.00 0.00 177.00 176.79 2vnt s LEU 211 N -1.38 4.15 -0.17 -3.56 1.98 0.09 -3.55 118.68 116.24 2vnt s LEU 211 Ca 0.43 -1.62 -0.02 0.00 -2.89 0.00 0.00 54.13 50.03 2vnt s LEU 211 Cb -0.24 -1.66 -0.01 0.00 0.66 0.00 0.00 46.19 44.93 2vnt s LEU 211 CO 0.30 -0.31 -0.09 -0.69 -1.89 0.00 0.00 176.35 173.68 2vnt s VAL 212 N 1.11 3.24 0.07 1.68 1.01 -0.24 0.19 120.40 127.46 2vnt s VAL 212 Ca -0.01 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.42 2vnt s VAL 212 Cb -0.20 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2vnt s VAL 212 CO -0.04 0.49 -0.07 0.00 0.00 0.00 0.00 175.10 175.47 2vnt s SER 214 N -2.39 7.18 -0.15 0.00 0.15 -1.26 -0.88 113.70 116.34 2vnt s SER 214 Ca 0.02 1.84 -0.07 0.00 0.70 0.00 0.00 55.95 58.44 2vnt s SER 214 Cb -0.02 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.79 2vnt s SER 214 CO -0.03 -0.42 0.34 -0.22 1.20 0.00 0.00 173.24 174.12 2vnt s LEU 215 N 1.27 -0.17 -1.26 3.45 0.20 -0.43 -4.83 118.68 116.90 2vnt s LEU 215 Ca 0.55 0.77 -0.03 0.00 0.69 0.00 0.00 54.13 56.12 2vnt s LEU 215 Cb -0.25 1.07 0.02 0.00 -0.43 0.00 0.00 46.19 46.60 2vnt s LEU 215 CO 0.27 -0.21 0.22 0.00 -0.29 0.00 0.00 176.35 176.34 2vnt n GLN 216 N 4.78 -2.87 -2.65 1.98 3.00 -1.26 -1.60 117.38 118.75 2vnt n GLN 216 Ca -0.16 0.65 -0.17 0.00 -0.01 0.00 0.00 57.00 57.31 2vnt n GLN 216 Cb 0.52 -5.33 0.02 0.00 0.00 0.00 0.00 30.24 25.45 2vnt n GLN 216 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2vnt n GLY 217 N -1.03 -0.28 3.22 1.08 0.00 -1.26 -5.05 105.19 101.88 2vnt n GLY 217 Ca -0.12 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 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 -5.21 1.07 -0.35 1.61 3.00 -0.62 -5.11 118.95 113.34 2vnt s ARG 218 Ca 0.15 -0.99 -0.29 0.00 0.00 0.00 0.00 55.73 54.61 2vnt s ARG 218 Cb -0.07 -1.20 0.00 0.00 0.00 0.00 0.00 34.95 33.69 2vnt s ARG 218 CO 0.19 0.29 1.35 -1.64 0.00 0.00 0.00 175.30 175.49 2vnt s MET 219 N -1.55 3.76 0.03 3.54 -1.94 -1.26 -1.32 119.30 120.56 2vnt s MET 219 Ca 0.04 1.11 0.06 0.00 -1.71 0.00 0.00 55.69 55.19 2vnt s MET 219 Cb -0.09 -3.95 -0.02 0.00 2.01 0.00 0.00 34.83 32.78 2vnt s MET 219 CO 0.03 -1.32 -0.18 0.95 -0.01 0.00 0.00 175.02 174.49 2vnt s THR 220 N 4.84 1.42 -0.62 2.05 -4.23 -0.06 -2.89 115.64 116.15 2vnt s THR 220 Ca 0.59 -1.04 -0.28 0.00 -1.18 0.00 0.00 61.69 59.78 2vnt s THR 220 Cb -0.15 -1.24 0.02 0.00 1.34 0.00 0.00 72.50 72.46 2vnt s THR 220 CO 0.27 0.18 1.37 -0.22 -0.54 0.00 0.00 174.62 175.68 2vnt s LEU 221 N -1.00 3.33 -0.04 4.79 2.96 0.76 -1.80 118.68 127.69 2vnt s LEU 221 Ca 0.05 0.03 0.17 0.00 -0.22 0.00 0.00 54.13 54.16 2vnt s LEU 221 Cb -0.08 -2.88 -0.21 0.00 0.50 0.00 0.00 46.19 43.52 2vnt s LEU 221 CO 0.01 -1.76 0.56 0.41 -1.32 0.00 0.00 176.35 174.25 2vnt n THR 222 N 6.70 1.21 -3.70 3.68 -1.04 0.13 -4.28 114.28 116.99 2vnt n THR 222 Ca 0.09 -0.74 -0.10 0.00 -2.04 0.00 0.00 64.05 61.27 2vnt n THR 222 Cb 0.49 -0.66 -0.04 0.00 -1.82 0.00 0.00 70.33 68.31 2vnt n THR 222 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2vnt s GLY 223 N -5.01 -0.15 -0.13 3.41 0.00 -1.05 -2.68 107.32 101.71 2vnt s GLY 223 Ca -0.06 -0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.53 2vnt s GLY 223 CO 0.83 -0.27 -0.21 -0.42 0.00 0.00 0.00 173.10 173.03 2vnt s ILE 224 N -3.85 2.24 -0.15 0.90 1.01 -0.99 -0.73 121.20 119.63 2vnt s ILE 224 Ca 0.07 -0.93 -0.37 0.00 0.00 0.00 0.00 60.65 59.42 2vnt s ILE 224 Cb -0.00 -1.89 -0.14 0.00 0.01 0.00 0.00 42.46 40.43 2vnt s ILE 224 CO -0.06 0.55 1.75 0.52 0.00 0.00 0.00 174.94 177.70 2vnt n VAL 225 N 3.81 0.37 0.04 2.92 0.31 -0.02 -1.82 118.33 123.93 2vnt n VAL 225 Ca -0.19 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2vnt n VAL 225 Cb 0.52 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 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 5.49 0.80 -3.63 4.52 2.88 -0.77 -0.22 113.62 122.68 2vnt n SER 226 Ca 0.24 0.11 -0.08 0.00 -1.33 0.00 0.00 58.87 57.81 2vnt n SER 226 Cb 0.21 -0.23 -0.02 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.74 -0.32 -0.12 0.66 1.48 -0.92 -4.92 118.94 113.06 2vnt s TRP 227 Ca 0.00 0.03 -0.33 0.00 -1.06 0.00 0.00 56.10 54.74 2vnt s TRP 227 Cb 0.00 0.62 0.13 0.00 -1.16 0.00 0.00 33.47 33.05 2vnt s TRP 227 CO 0.00 -0.91 1.14 0.20 -4.06 0.00 0.00 176.95 173.32 2vnt s GLY 228 N -2.79 -0.34 -0.28 3.67 0.00 -1.26 0.59 107.32 106.91 2vnt s GLY 228 Ca 0.07 1.34 -0.29 0.00 0.00 0.00 0.00 44.72 45.83 2vnt s GLY 228 CO -0.03 0.43 1.07 -1.60 0.00 0.00 0.00 173.10 172.97 2vnt s ARG 229 N -2.60 4.14 2.96 2.90 6.06 -1.26 -4.88 118.95 126.27 2vnt s ARG 229 Ca 0.09 1.21 0.00 0.00 -2.50 0.00 0.00 55.73 54.53 2vnt s ARG 229 Cb -0.00 -3.70 0.00 0.00 0.06 0.00 0.00 34.95 31.30 2vnt s ARG 229 CO -0.05 -0.79 0.00 0.41 -2.50 0.00 0.00 175.30 172.36 2vnt n GLY 230 N 3.66 0.97 2.99 8.12 0.00 -1.26 -4.67 105.19 114.99 2vnt n GLY 230 Ca 0.12 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 4.94 -1.35 -2.77 0.00 0.00 -1.26 -4.88 120.51 115.19 2vnt n ALA 232 Ca -0.13 0.31 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 2vnt n ALA 232 Cb 0.51 -5.00 -0.05 0.00 0.00 0.00 0.00 19.45 14.91 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 -7.25 4.35 0.09 0.00 1.43 -1.26 -4.75 118.68 111.30 2vnt s LEU 233 Ca 0.57 0.53 -0.34 0.00 -1.03 0.00 0.00 54.13 53.86 2vnt s LEU 233 Cb -0.26 -2.79 -0.13 0.00 0.03 0.00 0.00 46.19 43.04 2vnt s LEU 233 CO 0.76 0.22 1.70 1.17 0.23 0.00 0.00 176.35 180.43 2vnt n LYS 234 N 0.88 2.26 -1.15 1.70 4.81 -1.26 -2.08 118.16 123.31 2vnt n LYS 234 Ca -0.09 0.82 -0.05 0.00 -0.87 0.00 0.00 58.31 58.11 2vnt n LYS 234 Cb 0.52 -2.63 -0.02 0.00 0.02 0.00 0.00 35.03 32.93 2vnt n LYS 234 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2vnt n ASP 235 N 4.58 -4.16 -3.65 3.14 8.00 -1.26 -4.95 116.55 118.26 2vnt n ASP 235 Ca 0.19 0.13 -0.28 0.00 0.71 0.00 0.00 54.79 55.54 2vnt n ASP 235 Cb 0.30 -2.12 -0.11 0.00 -0.02 0.00 0.00 41.12 39.17 2vnt n ASP 235 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2vnt s LYS 236 N -1.97 1.63 0.99 -1.24 -0.14 -0.89 -4.45 119.74 113.68 2vnt s LYS 236 Ca 0.00 -2.65 -0.14 0.00 -1.36 0.00 0.00 55.97 51.82 2vnt s LYS 236 Cb 0.00 -2.40 0.18 0.00 -1.68 0.00 0.00 37.83 33.94 2vnt s LYS 236 CO 0.00 -1.32 1.14 -1.25 -0.76 0.00 0.00 175.35 173.16 2vnt s PRO 237 N -0.58 0.47 0.49 -1.68 0.04 -1.26 -4.28 135.00 128.19 2vnt s PRO 237 Ca 0.28 0.21 -0.18 0.00 0.04 0.00 0.00 61.00 61.34 2vnt s PRO 237 Cb -0.03 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.66 2vnt s PRO 237 CO -0.16 -2.64 0.98 0.20 0.04 0.00 0.00 177.00 175.42 2vnt s GLY 238 N -3.94 2.20 0.11 0.56 0.00 -0.78 -4.46 107.32 101.01 2vnt s GLY 238 Ca 0.66 0.28 0.10 0.00 0.00 0.00 0.00 44.72 45.76 2vnt s GLY 238 CO 0.55 0.56 -0.25 0.14 0.00 0.00 0.00 173.10 174.10 2vnt s VAL 239 N -2.44 2.04 -0.00 1.40 1.01 0.20 -2.07 120.40 120.54 2vnt s VAL 239 Ca 0.60 -1.63 0.01 0.00 0.00 0.00 0.00 61.98 60.96 2vnt s VAL 239 Cb -0.10 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 2vnt s VAL 239 CO 0.25 0.06 -0.03 -0.31 0.00 0.00 0.00 175.10 175.07 2vnt s TYR 240 N -1.06 0.29 -0.00 5.22 1.51 0.53 -1.85 117.35 121.98 2vnt s TYR 240 Ca 0.11 -0.08 -0.30 0.00 -1.01 0.00 0.00 57.07 55.79 2vnt s TYR 240 Cb -0.10 -0.19 -0.07 0.00 -0.11 0.00 0.00 41.96 41.49 2vnt s TYR 240 CO 0.05 -0.01 1.81 0.99 -1.11 0.00 0.00 175.55 177.28 2vnt s THR 241 N -0.15 3.26 -0.75 -0.71 2.01 -0.76 -0.18 115.64 118.36 2vnt s THR 241 Ca 0.00 0.35 -0.27 0.00 0.31 0.00 0.00 61.69 62.09 2vnt s THR 241 Cb -0.02 -3.23 0.03 0.00 0.01 0.00 0.00 72.50 69.30 2vnt s THR 241 CO -0.00 -0.03 1.32 -0.60 -0.69 0.00 0.00 174.62 174.62 2vnt s ARG 242 N 4.16 3.19 0.45 4.92 3.52 0.48 -2.36 118.95 133.32 2vnt s ARG 242 Ca 0.81 -0.26 0.14 0.00 -0.13 0.00 0.00 55.73 56.28 2vnt s ARG 242 Cb -0.38 -4.28 1.02 0.00 -1.56 0.00 0.00 34.95 29.75 2vnt s ARG 242 CO 0.36 -2.19 2.02 0.28 -0.81 0.00 0.00 175.30 174.96 2vnt h VAL 243 N 6.13 1.11 0.00 7.11 2.07 -1.79 -1.13 116.25 129.74 2vnt h VAL 243 Ca -0.24 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2vnt h VAL 243 Cb 1.05 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2vnt h VAL 243 CO 1.29 0.15 0.00 0.77 0.02 0.00 0.00 177.57 179.79 2vnt h SER 244 N 0.06 0.00 -0.51 0.57 4.64 -1.86 -2.17 113.55 114.28 2vnt h SER 244 Ca 0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 2vnt h SER 244 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2vnt h SER 244 CO 0.02 0.00 0.05 1.41 -0.87 0.00 0.00 176.83 177.43 2vnt n HIS 245 N -2.61 1.82 -1.31 4.77 8.25 -0.43 -2.03 115.22 123.69 2vnt n HIS 245 Ca 0.00 -0.69 0.01 0.00 -0.26 0.00 0.00 57.72 56.78 2vnt n HIS 245 Cb 0.20 -0.48 0.02 0.00 1.12 0.00 0.00 29.99 30.84 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 0.41 0.00 -0.03 4.41 3.01 -0.81 -4.95 117.46 119.49 2vnt n PHE 246 Ca 0.26 -0.17 -0.13 0.00 1.01 0.00 0.00 57.45 58.41 2vnt n PHE 246 Cb 1.09 -0.04 -0.08 0.00 -0.01 0.00 0.00 39.48 40.43 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 0.00 0.19 -1.17 4.37 3.38 -1.76 -2.00 115.31 118.31 2vnt h LEU 247 Ca 0.00 -0.43 0.12 0.00 0.09 0.00 0.00 57.88 57.66 2vnt h LEU 247 Cb 1.11 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 2vnt h LEU 247 CO 0.00 0.58 0.59 -0.65 0.09 0.00 0.00 178.44 179.05 2vnt h PRO 248 N -0.20 0.82 -0.49 1.13 0.11 -1.95 -0.92 132.00 130.50 2vnt h PRO 248 Ca 0.02 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 2vnt h PRO 248 Cb 0.51 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 2vnt h PRO 248 CO 0.01 0.54 0.15 2.35 -0.21 0.00 0.00 178.00 180.85 2vnt h TRP 249 N 0.84 0.79 0.20 0.65 7.01 -1.91 0.25 115.95 123.78 2vnt h TRP 249 Ca 0.46 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.37 2vnt h TRP 249 Cb 0.56 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 2vnt h TRP 249 CO -0.00 0.69 -0.09 0.82 -2.79 0.00 0.00 178.44 177.06 2vnt h ILE 250 N 0.66 0.87 -0.05 2.65 2.04 -0.60 -2.17 117.51 120.90 2vnt h ILE 250 Ca 0.16 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.74 2vnt h ILE 250 Cb 0.27 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 2vnt h ILE 250 CO -0.01 0.07 -0.35 0.03 0.00 0.00 0.00 178.15 177.90 2vnt h ARG 251 N -0.42 -0.45 0.00 2.37 2.47 -1.15 -2.45 114.38 114.75 2vnt h ARG 251 Ca -0.03 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 2vnt h ARG 251 Cb 0.32 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.74 2vnt h ARG 251 CO 0.04 -0.30 -0.13 0.66 0.56 0.00 0.00 179.97 180.80 2vnt h SER 252 N -0.47 0.00 -0.35 7.04 4.64 -0.96 -2.68 113.55 120.76 2vnt h SER 252 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2vnt h SER 252 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2vnt h SER 252 CO -0.31 0.13 0.00 1.41 -0.87 0.00 0.00 176.83 177.19 2vnt n HIS 253 N -3.98 0.46 -0.06 4.77 8.25 -0.82 -1.46 115.22 122.38 2vnt n HIS 253 Ca -0.02 -0.23 -0.13 0.00 -0.26 0.00 0.00 57.72 57.08 2vnt n HIS 253 Cb 0.22 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.29 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 1.07 0.84 0.28 1.59 -1.04 -0.95 -4.54 114.28 111.54 2vnt n THR 254 Ca 0.18 -0.12 0.12 0.00 -2.04 0.00 0.00 64.05 62.20 2vnt n THR 254 Cb 0.50 -1.73 0.22 0.00 -1.82 0.00 0.00 70.33 67.50 2vnt n THR 254 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2vnt h LYS 255 N -0.49 0.00 0.00 -2.82 1.79 -1.78 -3.45 116.57 109.82 2vnt h LYS 255 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2vnt h LYS 255 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2vnt h LYS 255 CO -0.18 0.00 0.00 -1.91 -1.08 0.00 0.00 179.45 176.28 2vnt n GLU 256 N -2.98 0.00 0.00 3.15 2.13 -1.26 -5.17 120.64 116.50 2vnt n GLU 256 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2vnt n GLU 256 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.22 2vnt n GLU 256 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2vnt n GLU 257 N -2.88 3.60 0.00 5.31 4.07 -0.53 -5.02 120.64 125.19 2vnt n GLU 257 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2vnt n GLU 257 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2vnt n GLU 257 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36