#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 1.07 0.11 3.23 -0.14 -1.26 -4.83 119.74 117.92 2vnt s LYS -2 Ca 0.00 -1.36 -0.30 0.00 -1.36 0.00 0.00 55.97 52.94 2vnt s LYS -2 Cb 0.00 -0.82 -0.07 0.00 -1.68 0.00 0.00 37.83 35.26 2vnt s LYS -2 CO 0.00 0.14 1.22 -0.06 -0.76 0.00 0.00 175.35 175.89 2vnt s PHE -1 N -2.69 3.41 -0.41 3.18 0.40 -1.26 -4.93 117.98 115.69 2vnt s PHE -1 Ca 0.13 1.29 0.01 0.00 -0.60 0.00 0.00 56.93 57.77 2vnt s PHE -1 Cb -0.02 -3.46 0.13 0.00 0.51 0.00 0.00 43.02 40.19 2vnt s PHE -1 CO 0.03 -1.41 0.22 -0.65 0.70 0.00 0.00 175.22 174.11 2vnt s GLN 0 N 0.68 1.07 0.07 0.44 -0.21 -1.26 -5.02 119.66 115.43 2vnt s GLN 0 Ca 0.58 -1.78 -0.37 0.00 0.02 0.00 0.00 55.36 53.80 2vnt s GLN 0 Cb -0.31 -2.06 -0.18 0.00 1.00 0.00 0.00 33.01 31.46 2vnt s GLN 0 CO 0.31 -1.16 1.19 0.00 -2.12 0.00 0.00 175.29 173.51 2vnt n GLY 2 N 2.07 2.08 3.71 0.00 0.00 0.11 -4.63 105.19 108.53 2vnt n GLY 2 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.16 4.37 0.19 1.61 -0.21 -0.91 -4.61 119.66 119.95 2vnt s GLN 3 Ca 0.00 0.74 0.06 0.00 0.02 0.00 0.00 55.36 56.18 2vnt s GLN 3 Cb 0.00 -3.47 -0.05 0.00 1.00 0.00 0.00 33.01 30.49 2vnt s GLN 3 CO 0.00 0.02 -0.11 -1.59 -2.12 0.00 0.00 175.29 171.49 2vnt s LYS 4 N 1.00 1.22 0.62 2.91 -2.85 -1.26 -4.95 119.74 116.42 2vnt s LYS 4 Ca 0.33 -1.55 -0.19 0.00 -1.00 0.00 0.00 55.97 53.56 2vnt s LYS 4 Cb -0.17 -0.85 -0.02 0.00 -2.06 0.00 0.00 37.83 34.72 2vnt s LYS 4 CO 0.15 0.10 1.29 -2.37 0.10 0.00 0.00 175.35 174.62 2vnt n THR 5 N -0.32 4.56 -1.04 3.79 5.66 -1.26 -5.14 114.28 120.52 2vnt n THR 5 Ca -0.09 -0.50 -0.38 0.00 -3.05 0.00 0.00 64.05 60.04 2vnt n THR 5 Cb 0.61 -1.52 -0.05 0.00 -1.55 0.00 0.00 70.33 67.82 2vnt n THR 5 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2vnt n LEU 6 N -1.56 4.28 0.00 1.09 -0.00 -1.26 -4.98 117.00 114.58 2vnt n LEU 6 Ca 0.14 -2.89 0.00 0.00 -0.00 0.00 0.00 56.01 53.27 2vnt n LEU 6 Cb 0.47 -1.11 0.00 0.00 -0.00 0.00 0.00 43.42 42.78 2vnt n LEU 6 CO 0.49 -0.12 0.00 -0.38 -0.00 0.00 0.00 177.39 177.38 2vnt n ILE 10 N 5.55 0.00 0.04 1.96 2.08 0.28 -5.20 119.36 124.07 2vnt n ILE 10 Ca 0.48 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.66 2vnt n ILE 10 Cb 0.33 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 39.13 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 1.11 -0.36 1.39 1.08 -1.31 -3.36 117.51 116.06 2vnt h ILE 11 Ca 0.00 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.47 2vnt h ILE 11 Cb 0.00 1.72 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 2vnt h ILE 11 CO 0.00 0.23 0.00 0.61 -0.69 0.00 0.00 178.15 178.30 2vnt n GLY 12 N 0.16 2.79 7.00 5.37 0.00 -1.26 -4.85 105.19 114.41 2vnt n GLY 12 Ca -0.09 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 0.05 3.09 -0.02 0.00 -1.26 -4.80 105.19 107.26 2vnt n GLY 13 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 0.46 0.33 1.61 2.02 0.26 -4.98 118.70 118.40 2vnt s GLU 14 Ca 0.00 -0.41 -0.29 0.00 0.02 0.00 0.00 54.97 54.29 2vnt s GLU 14 Cb 0.00 0.19 -0.10 0.00 0.10 0.00 0.00 34.13 34.32 2vnt s GLU 14 CO 0.00 -0.11 1.39 -0.06 0.02 0.00 0.00 175.26 176.50 2vnt s PHE 15 N -1.36 2.90 0.00 1.61 0.40 -1.26 -0.21 117.98 120.06 2vnt s PHE 15 Ca -0.15 1.27 0.00 0.00 -0.60 0.00 0.00 56.93 57.46 2vnt s PHE 15 Cb -0.08 -3.81 0.00 0.00 0.51 0.00 0.00 43.02 39.64 2vnt s PHE 15 CO 0.01 -2.36 0.00 0.25 0.70 0.00 0.00 175.22 173.83 2vnt n THR 16 N 0.95 0.00 -4.39 0.64 -2.24 -0.10 -4.86 114.28 104.28 2vnt n THR 16 Ca 0.01 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.55 2vnt n THR 16 Cb 0.41 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.19 2.16 0.51 4.28 -4.23 -1.26 -4.36 115.64 111.54 2vnt s THR 17 Ca 0.00 -2.04 0.20 0.00 -1.18 0.00 0.00 61.69 58.67 2vnt s THR 17 Cb 0.00 -2.04 0.34 0.00 1.34 0.00 0.00 72.50 72.14 2vnt s THR 17 CO 0.00 -0.23 2.05 0.16 -0.54 0.00 0.00 174.62 176.05 2vnt h ILE 18 N 3.09 0.86 -0.78 2.99 -0.00 -1.89 -1.74 117.51 120.04 2vnt h ILE 18 Ca -0.44 -0.03 0.22 0.00 -0.00 0.00 0.00 64.86 64.61 2vnt h ILE 18 Cb 1.21 0.77 -0.03 0.00 -0.00 0.00 0.00 36.82 38.77 2vnt h ILE 18 CO 0.51 0.01 0.56 -0.33 -0.00 0.00 0.00 178.15 178.90 2vnt h GLU 19 N 0.08 0.04 0.00 0.16 5.08 -1.84 0.14 114.58 118.24 2vnt h GLU 19 Ca 0.17 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2vnt h GLU 19 Cb 0.58 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2vnt h GLU 19 CO -0.01 0.03 0.00 0.09 -1.00 0.00 0.00 179.01 178.12 2vnt n ASN 20 N -4.33 0.34 -2.95 1.42 3.02 -0.65 -4.12 115.26 107.99 2vnt n ASN 20 Ca 0.16 0.54 -0.14 0.00 -0.03 0.00 0.00 54.58 55.11 2vnt n ASN 20 Cb 0.82 -0.63 0.03 0.00 -0.61 0.00 0.00 39.78 39.39 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 -1.83 0.94 0.09 3.52 1.13 0.31 -5.05 117.38 116.49 2vnt n GLN 21 Ca 0.06 -2.56 0.07 0.00 -1.94 0.00 0.00 57.00 52.62 2vnt n GLN 21 Cb 0.34 -1.35 0.35 0.00 0.11 0.00 0.00 30.24 29.70 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 0.58 0.09 0.00 -1.09 -0.04 -0.09 -1.46 135.00 132.99 2vnt n PRO 22 Ca 0.15 0.51 0.13 0.00 -0.04 0.00 0.00 63.50 64.24 2vnt n PRO 22 Cb 0.66 -1.74 0.34 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.92 0.00 -1.83 0.54 2.14 -1.13 -1.24 117.44 113.99 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 0.08 -0.21 -0.03 0.00 -0.81 0.00 0.00 31.31 30.34 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 -2.77 2.76 -0.16 -2.67 2.19 -0.54 -0.14 117.98 116.66 2vnt s PHE 24 Ca 0.17 0.39 -0.05 0.00 0.33 0.00 0.00 56.93 57.77 2vnt s PHE 24 Cb 0.18 -4.04 -0.03 0.00 -1.31 0.00 0.00 43.02 37.82 2vnt s PHE 24 CO 0.61 -4.00 -0.01 0.00 1.83 0.00 0.00 175.22 173.65 2vnt s ALA 25 N 1.65 3.12 -0.26 11.12 0.00 -0.73 -4.41 121.76 132.25 2vnt s ALA 25 Ca 0.74 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 51.76 2vnt s ALA 25 Cb -0.45 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 2vnt s ALA 25 CO 0.32 0.20 0.33 0.00 0.00 0.00 0.00 175.76 176.62 2vnt s ALA 26 N 0.36 3.56 -0.17 0.00 0.00 -0.56 -1.68 121.76 123.27 2vnt s ALA 26 Ca -0.02 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 2vnt s ALA 26 Cb -0.14 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 2vnt s ALA 26 CO 0.02 -0.59 -0.08 0.42 0.00 0.00 0.00 175.76 175.53 2vnt s ILE 27 N 1.91 3.32 0.02 0.00 1.01 0.55 -0.31 121.20 127.69 2vnt s ILE 27 Ca 0.13 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.29 2vnt s ILE 27 Cb -0.16 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 2vnt s ILE 27 CO 0.10 0.48 -0.15 -0.31 0.00 0.00 0.00 174.94 175.05 2vnt s TYR 28 N 0.81 1.37 -0.03 3.97 2.02 0.20 0.35 117.35 126.03 2vnt s TYR 28 Ca -0.03 -0.31 -0.30 0.00 -0.37 0.00 0.00 57.07 56.06 2vnt s TYR 28 Cb -0.15 -0.84 -0.04 0.00 -0.40 0.00 0.00 41.96 40.53 2vnt s TYR 28 CO 0.01 0.02 1.20 1.03 -1.57 0.00 0.00 175.55 176.24 2vnt s ARG 29 N -0.77 4.37 0.52 -0.62 0.52 -0.57 0.20 118.95 122.60 2vnt s ARG 29 Ca 0.04 1.69 -0.11 0.00 -0.52 0.00 0.00 55.73 56.83 2vnt s ARG 29 Cb -0.07 -3.52 -0.05 0.00 0.52 0.00 0.00 34.95 31.82 2vnt s ARG 29 CO 0.00 -0.41 0.90 -0.98 0.02 0.00 0.00 175.30 174.84 2vnt s ARG 30 N 2.00 3.70 0.25 3.54 1.70 0.65 -2.04 118.95 128.75 2vnt s ARG 30 Ca 0.56 0.60 0.01 0.00 -0.47 0.00 0.00 55.73 56.44 2vnt s ARG 30 Cb -0.25 -2.23 -0.04 0.00 -0.57 0.00 0.00 34.95 31.85 2vnt s ARG 30 CO 0.23 -0.30 0.13 -1.01 -1.08 0.00 0.00 175.30 173.28 2vnt s HIS 31 N -2.77 1.41 -1.65 5.89 3.76 -0.76 -4.86 115.29 116.31 2vnt s HIS 31 Ca 0.53 -1.33 0.14 0.00 -0.15 0.00 0.00 55.06 54.25 2vnt s HIS 31 Cb -0.10 -0.74 0.73 0.00 1.11 0.00 0.00 32.58 33.58 2vnt s HIS 31 CO 0.42 -0.53 1.31 2.89 -0.85 0.00 0.00 174.74 177.98 2vnt n ARG 32 N -0.42 0.28 -0.12 1.40 1.85 -1.26 -3.63 116.66 114.76 2vnt n ARG 32 Ca 0.01 0.10 -0.09 0.00 -1.00 0.00 0.00 57.85 56.88 2vnt n ARG 32 Cb 0.66 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.56 2vnt n ARG 32 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2vnt h GLY 33 N 2.19 0.56 -6.93 2.89 0.00 -2.04 -3.46 103.07 96.28 2vnt h GLY 33 Ca 0.00 -0.25 -0.63 0.00 0.00 0.00 0.00 47.33 46.44 2vnt h GLY 33 CO 0.00 0.24 0.14 -0.32 0.00 0.00 0.00 176.54 176.61 2vnt s GLY 34 N -2.71 1.74 0.78 4.60 0.00 -1.24 -5.17 107.32 105.32 2vnt s GLY 34 Ca -0.13 -0.89 -0.11 0.00 0.00 0.00 0.00 44.72 43.59 2vnt s GLY 34 CO 0.73 1.50 1.08 -1.35 0.00 0.00 0.00 173.10 175.06 2vnt s SER 35 N 1.82 4.55 0.02 1.64 1.04 -1.26 -4.80 113.70 116.71 2vnt s SER 35 Ca 0.24 1.60 0.03 0.00 0.48 0.00 0.00 55.95 58.30 2vnt s SER 35 Cb -0.14 -2.35 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 2vnt s SER 35 CO 0.15 -1.97 -0.09 0.68 0.98 0.00 0.00 173.24 173.00 2vnt s VAL 36 N -3.00 0.66 -0.08 5.02 -7.23 -1.26 -1.82 120.40 112.69 2vnt s VAL 36 Ca 0.61 -0.72 0.03 0.00 -1.81 0.00 0.00 61.98 60.09 2vnt s VAL 36 Cb -0.16 -0.63 0.01 0.00 0.56 0.00 0.00 36.38 36.16 2vnt s VAL 36 CO 0.56 -0.07 -0.19 0.42 -0.31 0.00 0.00 175.10 175.51 2vnt s THR 37 N -0.73 1.64 -0.10 5.32 -4.23 -0.87 -5.00 115.64 111.67 2vnt s THR 37 Ca -0.02 -0.77 -0.29 0.00 -1.18 0.00 0.00 61.69 59.42 2vnt s THR 37 Cb -0.06 -1.44 -0.05 0.00 1.34 0.00 0.00 72.50 72.29 2vnt s THR 37 CO 0.00 0.47 1.60 -0.47 -0.54 0.00 0.00 174.62 175.68 2vnt s TYR 38 N 0.48 2.10 -0.06 3.99 5.04 -1.26 -1.51 117.35 126.12 2vnt s TYR 38 Ca -0.17 0.36 -0.05 0.00 -2.44 0.00 0.00 57.07 54.78 2vnt s TYR 38 Cb -0.17 -3.87 -0.02 0.00 0.35 0.00 0.00 41.96 38.25 2vnt s TYR 38 CO 0.07 -3.43 -0.09 0.28 -1.34 0.00 0.00 175.55 171.04 2vnt n VAL 39 N 5.64 0.61 -3.83 3.14 0.31 0.16 -4.89 118.33 119.47 2vnt n VAL 39 Ca 0.17 0.37 -0.09 0.00 -0.01 0.00 0.00 64.34 64.78 2vnt n VAL 39 Cb 0.43 -1.88 -0.06 0.00 -0.91 0.00 0.00 33.84 31.42 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 -2.87 1.64 0.37 0.00 0.00 -0.57 -0.33 107.32 105.56 2vnt s GLY 41 Ca 0.07 0.10 -0.14 0.00 0.00 0.00 0.00 44.72 44.75 2vnt s GLY 41 CO -0.09 0.54 0.72 -0.32 0.00 0.00 0.00 173.10 173.95 2vnt s GLY 42 N -3.34 0.53 -0.01 0.20 0.00 -0.68 -3.91 107.32 100.11 2vnt s GLY 42 Ca 0.63 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 44.52 2vnt s GLY 42 CO 0.57 -0.42 -0.05 -0.56 0.00 0.00 0.00 173.10 172.65 2vnt s SER 43 N -3.08 0.60 -0.21 1.64 0.01 -0.63 -1.78 113.70 110.25 2vnt s SER 43 Ca 0.18 -0.09 -0.29 0.00 1.31 0.00 0.00 55.95 57.06 2vnt s SER 43 Cb -0.04 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 2vnt s SER 43 CO 0.13 0.04 1.31 -0.22 0.41 0.00 0.00 173.24 174.91 2vnt s LEU 44 N 0.03 4.07 -0.03 2.44 0.20 0.80 -1.25 118.68 124.94 2vnt s LEU 44 Ca 0.00 1.55 0.06 0.00 0.69 0.00 0.00 54.13 56.43 2vnt s LEU 44 Cb -0.04 -3.54 -0.24 0.00 -0.43 0.00 0.00 46.19 41.94 2vnt s LEU 44 CO -0.00 -0.91 0.71 0.24 -0.29 0.00 0.00 176.35 176.10 2vnt h MET 45 N 8.78 0.08 -1.82 1.98 2.86 -0.71 -1.78 114.93 124.32 2vnt h MET 45 Ca -0.27 -0.14 0.19 0.00 -2.06 0.00 0.00 59.70 57.41 2vnt h MET 45 Cb 1.11 0.05 -0.17 0.00 0.06 0.00 0.00 31.60 32.65 2vnt h MET 45 CO 0.99 0.76 0.67 0.45 1.06 0.00 0.00 176.91 180.84 2vnt s SER 46 N -6.45 -0.24 0.39 1.22 0.15 -1.12 -4.74 113.70 102.90 2vnt s SER 46 Ca -0.08 0.01 0.24 0.00 0.70 0.00 0.00 55.95 56.82 2vnt s SER 46 Cb 0.08 0.25 1.38 0.00 -1.71 0.00 0.00 66.02 66.02 2vnt s SER 46 CO 0.82 -0.40 1.58 -0.65 1.20 0.00 0.00 173.24 175.79 2vnt h PRO 47 N 2.01 0.01 -0.13 5.44 0.11 -1.96 -1.77 132.00 135.72 2vnt h PRO 47 Ca -0.15 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2vnt h PRO 47 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2vnt h PRO 47 CO 0.26 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.06 2vnt s TRP 49 N -0.83 1.65 -0.02 0.00 0.52 -0.67 -0.69 118.94 118.91 2vnt s TRP 49 Ca 0.12 -0.63 0.07 0.00 0.02 0.00 0.00 56.10 55.68 2vnt s TRP 49 Cb 0.07 -1.18 -0.02 0.00 -1.15 0.00 0.00 33.47 31.19 2vnt s TRP 49 CO 0.09 -0.31 -0.23 0.08 0.02 0.00 0.00 176.95 176.60 2vnt s VAL 50 N 0.64 1.82 -0.04 4.03 1.01 -0.39 0.04 120.40 127.51 2vnt s VAL 50 Ca -0.15 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 60.87 2vnt s VAL 50 Cb -0.16 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2vnt s VAL 50 CO 0.04 0.52 -0.11 -0.51 0.00 0.00 0.00 175.10 175.04 2vnt s ILE 51 N -0.54 3.36 0.00 2.22 2.07 -0.38 -0.37 121.20 127.55 2vnt s ILE 51 Ca 0.09 -0.69 0.00 0.00 -1.41 0.00 0.00 60.65 58.64 2vnt s ILE 51 Cb -0.09 -2.37 0.00 0.00 0.13 0.00 0.00 42.46 40.13 2vnt s ILE 51 CO -0.01 0.54 0.00 -0.24 -1.91 0.00 0.00 174.94 173.32 2vnt n SER 52 N 2.08 0.00 -4.31 4.50 2.88 0.10 -1.60 113.62 117.26 2vnt n SER 52 Ca -0.17 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.05 2vnt n SER 52 Cb 0.52 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.83 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 -1.82 2.36 0.49 -1.46 0.00 -1.26 -1.17 121.76 118.88 2vnt s ALA 53 Ca 0.00 -0.98 0.14 0.00 0.00 0.00 0.00 51.96 51.12 2vnt s ALA 53 Cb 0.00 -0.89 1.15 0.00 0.00 0.00 0.00 23.12 23.37 2vnt s ALA 53 CO 0.00 0.36 2.10 1.79 0.00 0.00 0.00 175.76 180.01 2vnt h THR 54 N 5.22 1.04 -0.43 0.00 1.35 -1.71 -2.90 112.91 115.48 2vnt h THR 54 Ca -0.29 -0.17 0.01 0.00 -0.55 0.00 0.00 66.41 65.42 2vnt h THR 54 Cb 1.20 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 2vnt h THR 54 CO 0.50 0.05 0.29 -0.74 -0.25 0.00 0.00 175.52 175.37 2vnt h HIS 55 N 0.09 0.52 0.00 4.73 -0.00 -1.91 0.14 115.15 118.72 2vnt h HIS 55 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2vnt h HIS 55 Cb 0.06 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.30 2vnt h HIS 55 CO 0.00 0.32 0.63 0.00 -0.00 0.00 0.00 177.93 178.88 2vnt n PHE 57 N -2.64 0.00 -0.11 0.00 3.72 0.04 -4.82 117.46 113.65 2vnt n PHE 57 Ca -0.01 -0.12 -0.13 0.00 -0.05 0.00 0.00 57.45 57.14 2vnt n PHE 57 Cb 0.65 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.17 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 0.43 1.27 0.00 4.37 1.08 -1.56 -2.50 117.51 120.60 2vnt h ILE 58 Ca 0.00 -1.56 -0.12 0.00 -0.39 0.00 0.00 64.86 62.79 2vnt h ILE 58 Cb 0.29 1.40 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 2vnt h ILE 58 CO 0.00 0.52 -0.56 0.44 -0.69 0.00 0.00 178.15 177.86 2vnt h ASP 59 N 0.74 0.00 -2.12 1.72 3.32 -1.88 -3.37 116.42 114.83 2vnt h ASP 59 Ca 0.06 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.55 2vnt h ASP 59 Cb 0.98 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.12 2vnt h ASP 59 CO 0.09 0.56 -0.89 -1.22 -1.72 0.00 0.00 179.24 176.07 2vnt n TYR 60 N -3.54 1.91 -1.70 4.55 4.01 -1.17 -5.03 117.16 116.19 2vnt n TYR 60 Ca -0.00 -3.89 -0.40 0.00 -0.16 0.00 0.00 57.90 53.45 2vnt n TYR 60 Cb 0.64 -0.45 -0.01 0.00 -0.31 0.00 0.00 39.34 39.20 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 0.50 3.89 -3.80 -0.72 -0.04 -0.95 -4.81 135.00 129.07 2vnt n PRO 61 Ca 0.27 -2.82 -0.14 0.00 -0.04 0.00 0.00 63.50 60.78 2vnt n PRO 61 Cb 0.50 -2.82 -0.15 0.00 -0.04 0.00 0.00 33.50 30.99 2vnt n PRO 61 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2vnt s LYS 62 N 0.99 -0.00 0.08 0.54 2.36 -1.26 -5.10 119.74 117.35 2vnt s LYS 62 Ca 0.58 0.15 -0.35 0.00 -2.55 0.00 0.00 55.97 53.80 2vnt s LYS 62 Cb 0.17 -0.14 -0.18 0.00 -1.05 0.00 0.00 37.83 36.63 2vnt s LYS 62 CO -0.07 -0.11 1.58 1.57 1.55 0.00 0.00 175.35 179.88 2vnt h LYS 63 N 6.85 -1.01 -0.82 4.03 2.10 -1.90 -3.26 116.57 122.56 2vnt h LYS 63 Ca -0.37 0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2vnt h LYS 63 Cb 1.16 0.23 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 2vnt h LYS 63 CO 0.48 -0.67 0.00 -1.91 -2.00 0.00 0.00 179.45 175.35 2vnt n GLU 64 N -5.57 1.23 -0.02 0.07 4.07 -1.26 -2.30 120.64 116.86 2vnt n GLU 64 Ca -0.13 -0.20 0.12 0.00 -0.06 0.00 0.00 57.16 56.88 2vnt n GLU 64 Cb 0.46 -1.47 0.59 0.00 -0.06 0.00 0.00 31.44 30.96 2vnt n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2vnt n ASP 65 N -0.02 0.64 -4.35 4.31 10.43 -1.23 -4.92 116.55 121.39 2vnt n ASP 65 Ca 0.02 -1.41 -0.30 0.00 2.57 0.00 0.00 54.79 55.67 2vnt n ASP 65 Cb 0.27 -0.03 -0.14 0.00 1.84 0.00 0.00 41.12 43.06 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 -1.95 2.30 0.00 1.24 1.51 -0.97 -0.26 117.35 119.23 2vnt s TYR 66 Ca 0.35 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 56.07 2vnt s TYR 66 Cb 0.17 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.66 2vnt s TYR 66 CO 0.28 0.18 -0.19 0.42 -1.11 0.00 0.00 175.55 175.13 2vnt s ILE 67 N -0.88 1.52 0.06 2.71 1.09 0.55 -4.08 121.20 122.17 2vnt s ILE 67 Ca 0.12 -0.92 0.09 0.00 -1.10 0.00 0.00 60.65 58.84 2vnt s ILE 67 Cb -0.10 -1.28 -0.03 0.00 -1.06 0.00 0.00 42.46 39.99 2vnt s ILE 67 CO 0.03 0.34 -0.25 0.54 -0.10 0.00 0.00 174.94 175.51 2vnt s VAL 68 N -0.56 2.04 0.04 2.92 0.11 0.57 0.62 120.40 126.14 2vnt s VAL 68 Ca 0.07 -1.43 0.05 0.00 -2.93 0.00 0.00 61.98 57.75 2vnt s VAL 68 Cb -0.08 -1.77 -0.03 0.00 -1.53 0.00 0.00 36.38 32.97 2vnt s VAL 68 CO 0.00 0.26 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.60 2vnt s TYR 69 N -0.87 2.72 0.14 1.54 2.02 0.58 -0.06 117.35 123.43 2vnt s TYR 69 Ca 0.11 -0.15 0.08 0.00 -0.37 0.00 0.00 57.07 56.74 2vnt s TYR 69 Cb -0.10 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 2vnt s TYR 69 CO 0.03 0.33 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.73 2vnt s LEU 70 N -1.56 3.01 -0.53 -1.29 1.02 0.13 -1.49 118.68 117.97 2vnt s LEU 70 Ca 0.17 -0.47 0.00 0.00 0.02 0.00 0.00 54.13 53.85 2vnt s LEU 70 Cb -0.11 -1.76 0.00 0.00 0.02 0.00 0.00 46.19 44.34 2vnt s LEU 70 CO 0.08 0.14 0.00 0.61 0.02 0.00 0.00 176.35 177.20 2vnt n GLY 71 N 0.41 0.30 3.21 -3.19 0.00 -1.24 0.47 105.19 105.15 2vnt n GLY 71 Ca -0.12 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.85 3.12 -0.01 1.61 3.52 -1.26 -3.65 118.95 118.43 2vnt s ARG 72 Ca 0.00 -0.79 0.16 0.00 -0.13 0.00 0.00 55.73 54.97 2vnt s ARG 72 Cb 0.00 -2.58 -0.21 0.00 -1.56 0.00 0.00 34.95 30.60 2vnt s ARG 72 CO 0.00 -0.05 0.50 0.43 -0.81 0.00 0.00 175.30 175.38 2vnt n SER 73 N 4.21 1.03 -4.30 -2.12 7.64 -1.26 -4.70 113.62 114.12 2vnt n SER 73 Ca -0.20 -0.41 -0.22 0.00 1.01 0.00 0.00 58.87 59.05 2vnt n SER 73 Cb 0.51 1.39 -0.12 0.00 -1.01 0.00 0.00 64.21 64.98 2vnt n SER 73 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2vnt s ARG 74 N -2.82 1.18 0.10 1.43 0.52 -1.26 -1.94 118.95 116.14 2vnt s ARG 74 Ca -0.00 -1.28 -0.11 0.00 -0.52 0.00 0.00 55.73 53.81 2vnt s ARG 74 Cb 0.11 -1.29 -0.18 0.00 0.52 0.00 0.00 34.95 34.12 2vnt s ARG 74 CO 0.66 0.27 1.25 1.25 0.02 0.00 0.00 175.30 178.75 2vnt h LEU 75 N 3.61 0.83 0.00 2.53 5.85 -1.38 -3.41 115.31 123.35 2vnt h LEU 75 Ca -0.43 -0.64 -0.29 0.00 0.84 0.00 0.00 57.88 57.36 2vnt h LEU 75 Cb 1.20 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 2vnt h LEU 75 CO 0.46 1.43 -2.11 -0.46 -0.34 0.00 0.00 178.44 177.42 2vnt n ASN 76 N -3.85 2.36 -4.72 1.25 0.23 -1.26 -5.02 115.26 104.24 2vnt n ASN 76 Ca -0.09 -0.10 -0.24 0.00 -0.53 0.00 0.00 54.58 53.62 2vnt n ASN 76 Cb 0.84 -0.20 -0.07 0.00 -2.08 0.00 0.00 39.78 38.26 2vnt n ASN 76 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2vnt s SER 77 N -5.82 4.45 0.03 0.53 1.04 -1.26 -5.12 113.70 107.55 2vnt s SER 77 Ca -0.25 -0.99 -0.28 0.00 0.48 0.00 0.00 55.95 54.92 2vnt s SER 77 Cb 0.07 -0.55 -0.04 0.00 0.10 0.00 0.00 66.02 65.60 2vnt s SER 77 CO 0.47 -0.44 0.87 0.20 0.98 0.00 0.00 173.24 175.33 2vnt s ASN 78 N -3.86 7.29 -0.18 7.02 0.01 -1.26 -4.66 114.94 119.31 2vnt s ASN 78 Ca 0.39 1.55 -0.21 0.00 -0.71 0.00 0.00 52.86 53.89 2vnt s ASN 78 Cb 0.02 -2.52 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 2vnt s ASN 78 CO 0.22 -0.12 0.61 -0.89 -1.51 0.00 0.00 177.10 175.41 2vnt s THR 79 N 0.47 5.05 0.24 1.60 2.01 -1.26 -5.03 115.64 118.71 2vnt s THR 79 Ca 0.45 1.17 -0.31 0.00 0.31 0.00 0.00 61.69 63.31 2vnt s THR 79 Cb -0.21 -3.93 -0.13 0.00 0.01 0.00 0.00 72.50 68.23 2vnt s THR 79 CO 0.25 0.15 1.44 0.00 -0.69 0.00 0.00 174.62 175.78 2vnt n GLN 80 N 4.77 2.10 -0.85 4.92 0.00 -1.26 -2.02 117.38 125.05 2vnt n GLN 80 Ca -0.02 0.75 0.00 0.00 0.00 0.00 0.00 57.00 57.73 2vnt n GLN 80 Cb 0.50 -2.43 0.00 0.00 0.00 0.00 0.00 30.24 28.31 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 2.29 0.92 3.71 2.61 0.00 -1.26 -5.00 105.19 108.46 2vnt n GLY 81 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.15 1.38 -0.03 1.61 -1.05 -0.86 -4.78 118.70 114.82 2vnt s GLU 82 Ca 0.00 1.03 0.01 0.00 -0.15 0.00 0.00 54.97 55.86 2vnt s GLU 82 Cb 0.00 -1.81 0.02 0.00 -0.44 0.00 0.00 34.13 31.90 2vnt s GLU 82 CO 0.00 -2.22 -0.03 -1.64 0.95 0.00 0.00 175.26 172.33 2vnt s MET 83 N -4.85 0.51 -0.11 -4.83 -1.94 0.18 -4.97 119.30 103.29 2vnt s MET 83 Ca 0.64 -0.05 -0.04 0.00 -1.71 0.00 0.00 55.69 54.53 2vnt s MET 83 Cb -0.19 -0.58 -0.04 0.00 2.01 0.00 0.00 34.83 36.04 2vnt s MET 83 CO 0.57 -0.05 0.03 0.21 -0.01 0.00 0.00 175.02 175.77 2vnt s LYS 84 N 0.69 3.25 -0.00 2.03 2.20 -1.26 0.21 119.74 126.86 2vnt s LYS 84 Ca -0.08 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.20 2vnt s LYS 84 Cb -0.11 -2.93 -0.01 0.00 -1.51 0.00 0.00 37.83 33.27 2vnt s LYS 84 CO -0.01 0.63 -0.06 -0.06 -0.36 0.00 0.00 175.35 175.49 2vnt s PHE 85 N -0.65 0.58 0.54 4.03 0.08 0.91 -4.45 117.98 119.01 2vnt s PHE 85 Ca 0.11 -0.14 -0.03 0.00 0.12 0.00 0.00 56.93 56.99 2vnt s PHE 85 Cb -0.12 -0.37 0.01 0.00 -0.57 0.00 0.00 43.02 41.97 2vnt s PHE 85 CO 0.02 -0.01 0.81 -1.83 -0.10 0.00 0.00 175.22 174.11 2vnt s GLU 86 N -0.26 2.93 -0.42 0.44 -1.05 0.14 -0.32 118.70 120.16 2vnt s GLU 86 Ca 0.02 -0.25 -0.14 0.00 -0.15 0.00 0.00 54.97 54.44 2vnt s GLU 86 Cb -0.03 -2.39 0.04 0.00 -0.44 0.00 0.00 34.13 31.31 2vnt s GLU 86 CO -0.00 -0.55 0.31 0.08 0.95 0.00 0.00 175.26 176.05 2vnt s VAL 87 N -2.81 5.06 -0.03 1.83 1.01 -1.26 -1.99 120.40 122.21 2vnt s VAL 87 Ca 0.52 -0.86 0.23 0.00 0.00 0.00 0.00 61.98 61.87 2vnt s VAL 87 Cb -0.10 -3.90 0.24 0.00 0.00 0.00 0.00 36.38 32.62 2vnt s VAL 87 CO 0.42 -0.39 1.74 -0.33 0.00 0.00 0.00 175.10 176.54 2vnt h GLU 88 N 8.62 0.00 -2.14 2.72 3.07 -1.70 -3.40 114.58 121.75 2vnt h GLU 88 Ca -0.27 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.61 2vnt h GLU 88 Cb 1.11 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.80 2vnt h GLU 88 CO 0.76 0.21 -0.15 1.21 -1.40 0.00 0.00 179.01 179.64 2vnt s ASN 89 N -6.17 -0.90 -0.23 1.42 3.04 -1.25 -5.01 114.94 105.84 2vnt s ASN 89 Ca 0.02 1.41 -0.02 0.00 0.04 0.00 0.00 52.86 54.32 2vnt s ASN 89 Cb 0.09 1.84 0.01 0.00 -1.54 0.00 0.00 41.25 41.65 2vnt s ASN 89 CO 0.65 -0.22 -0.08 -0.22 -3.04 0.00 0.00 177.10 174.19 2vnt s LEU 90 N 2.49 2.88 -0.18 3.21 2.96 -1.26 -1.66 118.68 127.13 2vnt s LEU 90 Ca -0.06 -0.63 0.01 0.00 -0.22 0.00 0.00 54.13 53.22 2vnt s LEU 90 Cb -0.10 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.94 2vnt s LEU 90 CO -0.18 -0.06 -0.18 0.27 -1.32 0.00 0.00 176.35 174.88 2vnt s ILE 91 N 1.38 2.27 0.42 6.68 -5.25 -0.30 -4.94 121.20 121.46 2vnt s ILE 91 Ca 0.03 -0.88 0.03 0.00 -0.99 0.00 0.00 60.65 58.85 2vnt s ILE 91 Cb -0.15 -1.96 -0.00 0.00 2.95 0.00 0.00 42.46 43.30 2vnt s ILE 91 CO -0.05 0.53 0.60 -0.76 -1.79 0.00 0.00 174.94 173.47 2vnt s LEU 92 N 1.20 3.72 -0.26 0.37 1.02 -1.26 -1.46 118.68 122.01 2vnt s LEU 92 Ca 0.02 0.04 -0.18 0.00 0.02 0.00 0.00 54.13 54.04 2vnt s LEU 92 Cb -0.14 -2.95 -0.03 0.00 0.02 0.00 0.00 46.19 43.09 2vnt s LEU 92 CO -0.09 -0.66 0.50 -2.28 0.02 0.00 0.00 176.35 173.84 2vnt s HIS 93 N -2.43 3.27 0.51 0.29 2.46 -1.21 -4.96 115.29 113.22 2vnt s HIS 93 Ca 0.49 0.62 0.30 0.00 0.47 0.00 0.00 55.06 56.94 2vnt s HIS 93 Cb -0.10 -2.70 1.42 0.00 -0.13 0.00 0.00 32.58 31.07 2vnt s HIS 93 CO 0.35 -0.26 1.86 0.87 -2.47 0.00 0.00 174.74 175.09 2vnt h LYS 94 N 7.98 0.08 -0.53 2.88 6.56 -1.94 -0.73 116.57 130.86 2vnt h LYS 94 Ca -0.30 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.29 2vnt h LYS 94 Cb 1.14 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 2vnt h LYS 94 CO 0.71 0.05 0.00 -0.25 -2.06 0.00 0.00 179.45 177.90 2vnt n ASP 95 N -4.31 5.42 -4.67 0.86 8.00 -1.26 -4.97 116.55 115.62 2vnt n ASP 95 Ca 0.21 -2.92 -0.43 0.00 0.71 0.00 0.00 54.79 52.36 2vnt n ASP 95 Cb 0.98 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 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 0.48 2.04 -3.74 1.24 9.36 -0.28 -4.67 117.16 121.59 2vnt n TYR 96 Ca 0.27 0.59 -0.10 0.00 3.32 0.00 0.00 57.90 61.98 2vnt n TYR 96 Cb 1.14 -2.38 -0.06 0.00 -0.63 0.00 0.00 39.34 37.42 2vnt n TYR 96 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2vnt s SER 97 N -0.38 -0.10 0.15 2.98 0.01 -0.93 -5.00 113.70 110.43 2vnt s SER 97 Ca 0.56 -0.48 -0.15 0.00 1.31 0.00 0.00 55.95 57.19 2vnt s SER 97 Cb -0.60 0.43 0.02 0.00 0.21 0.00 0.00 66.02 66.09 2vnt s SER 97 CO 0.62 -0.83 0.42 0.00 0.41 0.00 0.00 173.24 173.85 2vnt s ALA 98 N -3.84 -0.76 0.00 1.44 0.00 -1.26 -0.82 121.76 116.51 2vnt s ALA 98 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2vnt s ALA 98 Cb 0.03 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.91 2vnt s ALA 98 CO -0.10 -0.69 0.00 -0.40 0.00 0.00 0.00 175.76 174.56 2vnt n ASP 99 N -0.26 0.00 0.09 0.00 5.75 -1.20 -5.00 116.55 115.93 2vnt n ASP 99 Ca -0.13 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.58 2vnt n ASP 99 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 2vnt n ASP 99 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2vnt h THR 100 N 0.00 1.51 -0.40 2.12 1.35 -2.06 -3.41 112.91 112.03 2vnt h THR 100 Ca 0.00 -2.64 -0.29 0.00 -0.55 0.00 0.00 66.41 62.93 2vnt h THR 100 Cb 0.00 2.46 -0.20 0.00 -1.73 0.00 0.00 68.15 68.68 2vnt h THR 100 CO 0.00 0.77 -0.60 -0.11 -0.25 0.00 0.00 175.52 175.33 2vnt n LEU 101 N -3.64 -1.82 -3.61 3.87 7.94 -1.26 -5.12 117.00 113.36 2vnt n LEU 101 Ca -0.03 -3.90 -0.06 0.00 -1.11 0.00 0.00 56.01 50.91 2vnt n LEU 101 Cb 0.79 0.88 -0.05 0.00 0.53 0.00 0.00 43.42 45.58 2vnt n LEU 101 CO 0.47 2.10 0.97 0.00 -1.11 0.00 0.00 177.39 179.82 2vnt s ALA 102 N -0.16 -2.03 -0.19 1.96 0.00 -1.26 -4.94 121.76 115.14 2vnt s ALA 102 Ca 0.27 1.74 -0.03 0.00 0.00 0.00 0.00 51.96 53.94 2vnt s ALA 102 Cb 0.29 -1.10 0.06 0.00 0.00 0.00 0.00 23.12 22.36 2vnt s ALA 102 CO -0.09 -0.28 0.04 -1.01 0.00 0.00 0.00 175.76 174.42 2vnt s HIS 103 N -1.10 0.93 -0.06 0.00 3.76 -1.26 -3.25 115.29 114.31 2vnt s HIS 103 Ca 0.04 -0.77 -0.13 0.00 -0.15 0.00 0.00 55.06 54.05 2vnt s HIS 103 Cb -0.01 -0.99 -0.05 0.00 1.11 0.00 0.00 32.58 32.65 2vnt s HIS 103 CO -0.03 -0.59 0.32 -1.01 -0.85 0.00 0.00 174.74 172.58 2vnt s HIS 104 N 1.89 3.65 -1.72 1.40 3.76 -0.00 -4.18 115.29 120.09 2vnt s HIS 104 Ca -0.00 0.81 0.00 0.00 -0.15 0.00 0.00 55.06 55.71 2vnt s HIS 104 Cb -0.17 -2.21 0.00 0.00 1.11 0.00 0.00 32.58 31.31 2vnt s HIS 104 CO -0.08 0.60 0.00 0.09 -0.85 0.00 0.00 174.74 174.50 2vnt n ASN 105 N 2.16 -5.72 -4.58 1.40 3.02 -1.26 -2.20 115.26 108.08 2vnt n ASN 105 Ca -0.15 0.01 -0.35 0.00 -0.03 0.00 0.00 54.58 54.06 2vnt n ASN 105 Cb 0.53 -4.77 -0.03 0.00 -0.61 0.00 0.00 39.78 34.89 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 -2.05 5.85 -0.04 6.41 -1.08 -1.26 -4.66 116.67 119.84 2vnt s ASP 106 Ca 0.00 -1.93 -0.18 0.00 -0.52 0.00 0.00 52.55 49.92 2vnt s ASP 106 Cb 0.00 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 38.91 2vnt s ASP 106 CO 0.00 -2.20 0.41 -0.51 0.52 0.00 0.00 175.17 173.39 2vnt s ILE 107 N 7.88 0.04 -0.07 4.11 2.07 -1.26 -4.08 121.20 129.88 2vnt s ILE 107 Ca 0.61 -0.30 -0.31 0.00 -1.41 0.00 0.00 60.65 59.25 2vnt s ILE 107 Cb 0.01 -0.70 0.08 0.00 0.13 0.00 0.00 42.46 41.98 2vnt s ILE 107 CO 0.09 -0.16 0.73 0.00 -1.91 0.00 0.00 174.94 173.69 2vnt s ALA 108 N -1.06 -1.80 -0.05 1.50 0.00 -0.32 -3.34 121.76 116.69 2vnt s ALA 108 Ca -0.11 1.38 0.04 0.00 0.00 0.00 0.00 51.96 53.26 2vnt s ALA 108 Cb -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.94 2vnt s ALA 108 CO 0.05 -0.36 -0.15 -0.51 0.00 0.00 0.00 175.76 174.79 2vnt s LEU 109 N -1.14 1.84 -0.16 0.00 1.43 -0.53 0.00 118.68 120.12 2vnt s LEU 109 Ca -0.09 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 2vnt s LEU 109 Cb -0.00 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.31 2vnt s LEU 109 CO 0.08 0.11 -0.19 -0.76 0.23 0.00 0.00 176.35 175.82 2vnt s LEU 110 N 0.25 2.23 0.09 1.79 1.02 0.50 -1.15 118.68 123.41 2vnt s LEU 110 Ca -0.08 -0.58 -0.22 0.00 0.02 0.00 0.00 54.13 53.26 2vnt s LEU 110 Cb -0.13 -1.49 -0.07 0.00 0.02 0.00 0.00 46.19 44.52 2vnt s LEU 110 CO 0.03 0.05 0.68 -0.75 0.02 0.00 0.00 176.35 176.37 2vnt s LYS 111 N 1.01 4.39 -0.03 1.70 2.20 -0.66 -1.26 119.74 127.09 2vnt s LYS 111 Ca -0.02 0.94 0.07 0.00 -0.36 0.00 0.00 55.97 56.60 2vnt s LYS 111 Cb -0.15 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 2vnt s LYS 111 CO -0.05 0.52 -0.24 0.96 -0.36 0.00 0.00 175.35 176.18 2vnt s ILE 112 N -0.84 2.21 -0.04 5.43 -4.36 0.14 -1.81 121.20 121.93 2vnt s ILE 112 Ca 0.33 -1.04 -0.03 0.00 -0.26 0.00 0.00 60.65 59.65 2vnt s ILE 112 Cb -0.21 -1.79 0.02 0.00 1.25 0.00 0.00 42.46 41.73 2vnt s ILE 112 CO 0.22 0.58 0.11 -0.60 0.24 0.00 0.00 174.94 175.49 2vnt s ARG 113 N -0.53 0.11 1.06 0.37 3.52 -0.84 -4.69 118.95 117.94 2vnt s ARG 113 Ca 0.07 0.19 -0.16 0.00 -0.13 0.00 0.00 55.73 55.70 2vnt s ARG 113 Cb -0.11 0.00 0.22 0.00 -1.56 0.00 0.00 34.95 33.51 2vnt s ARG 113 CO 0.00 -0.05 1.16 -1.54 -0.81 0.00 0.00 175.30 174.06 2vnt s SER 114 N 0.30 2.18 0.33 -2.12 1.04 -0.84 -0.68 113.70 113.90 2vnt s SER 114 Ca -0.02 0.70 0.01 0.00 0.48 0.00 0.00 55.95 57.12 2vnt s SER 114 Cb -0.03 -1.03 0.57 0.00 0.10 0.00 0.00 66.02 65.63 2vnt s SER 114 CO -0.01 -3.35 1.99 0.07 0.98 0.00 0.00 173.24 172.91 2vnt h LYS 115 N -2.05 0.89 -0.76 4.02 2.10 -1.92 -2.54 116.57 116.30 2vnt h LYS 115 Ca -0.47 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 2vnt h LYS 115 Cb 1.30 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 2vnt h LYS 115 CO 0.44 0.61 0.00 0.39 -2.00 0.00 0.00 179.45 178.89 2vnt n GLU 116 N -4.42 1.06 -3.54 0.07 4.71 -1.26 -4.89 120.64 112.37 2vnt n GLU 116 Ca 0.07 -0.05 -0.24 0.00 -0.01 0.00 0.00 57.16 56.92 2vnt n GLU 116 Cb 0.05 -1.40 0.07 0.00 -1.01 0.00 0.00 31.44 29.15 2vnt n GLU 116 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2vnt n GLY 117 N 0.13 -0.54 3.57 0.62 0.00 -0.96 -5.01 105.19 103.01 2vnt n GLY 117 Ca 0.00 0.23 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 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 -6.25 1.97 0.54 1.61 1.70 -1.26 -4.93 118.95 112.32 2vnt s ARG 118 Ca 0.55 -1.70 0.09 0.00 -0.47 0.00 0.00 55.73 54.20 2vnt s ARG 118 Cb -0.25 -1.91 0.09 0.00 -0.57 0.00 0.00 34.95 32.31 2vnt s ARG 118 CO 0.68 0.25 0.74 0.00 -1.08 0.00 0.00 175.30 175.90 2vnt n ALA 120 N -2.37 -0.90 -2.90 0.00 0.00 -0.72 -4.95 120.51 108.67 2vnt n ALA 120 Ca -0.13 0.40 -0.34 0.00 0.00 0.00 0.00 53.44 53.38 2vnt n ALA 120 Cb 0.56 -1.92 -0.12 0.00 0.00 0.00 0.00 19.45 17.97 2vnt n ALA 120 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2vnt s GLN 121 N -1.39 3.43 0.28 0.00 -1.52 -1.26 -4.87 119.66 114.34 2vnt s GLN 121 Ca 0.60 -0.55 -0.30 0.00 -1.95 0.00 0.00 55.36 53.16 2vnt s GLN 121 Cb -0.76 -2.80 -0.12 0.00 -0.22 0.00 0.00 33.01 29.11 2vnt s GLN 121 CO 0.59 0.33 1.55 -0.35 -0.25 0.00 0.00 175.29 177.15 2vnt n PRO 122 N 3.25 2.52 -3.77 2.91 -0.04 -1.26 -4.73 135.00 133.87 2vnt n PRO 122 Ca -0.18 0.90 -0.05 0.00 -0.04 0.00 0.00 63.50 64.13 2vnt n PRO 122 Cb 0.53 -2.65 0.02 0.00 -0.04 0.00 0.00 33.50 31.36 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 2.18 -1.94 0.32 3.54 3.41 -0.73 -4.94 113.62 115.47 2vnt n SER 123 Ca 0.09 -2.18 0.21 0.00 -0.26 0.00 0.00 58.87 56.74 2vnt n SER 123 Cb 0.35 3.20 1.10 0.00 -0.26 0.00 0.00 64.21 68.60 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 -0.01 4.33 0.11 -2.00 -2.07 114.38 114.74 2vnt h ARG 124 Ca -0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.79 2vnt h ARG 124 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2vnt h ARG 124 CO 0.38 0.00 -0.26 0.25 0.10 0.00 0.00 179.97 180.45 2vnt n THR 125 N -3.12 0.00 -3.78 0.08 -2.24 -1.26 -4.56 114.28 99.39 2vnt n THR 125 Ca -0.02 -0.37 -0.26 0.00 -2.27 0.00 0.00 64.05 61.12 2vnt n THR 125 Cb 0.12 1.21 -0.17 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.73 0.60 0.03 2.28 1.01 -0.78 -3.65 121.20 118.97 2vnt s ILE 126 Ca 0.14 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 2vnt s ILE 126 Cb 0.12 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.70 2vnt s ILE 126 CO 0.35 0.04 0.23 -1.58 0.00 0.00 0.00 174.94 173.98 2vnt s GLN 127 N 1.85 0.69 0.44 2.79 2.00 -0.38 -1.76 119.66 125.29 2vnt s GLN 127 Ca 0.02 -0.51 -0.09 0.00 -2.00 0.00 0.00 55.36 52.77 2vnt s GLN 127 Cb -0.15 0.29 -0.06 0.00 0.80 0.00 0.00 33.01 33.90 2vnt s GLN 127 CO -0.07 -0.20 0.79 0.95 -0.50 0.00 0.00 175.29 176.26 2vnt s THR 128 N -2.26 4.81 0.43 -0.34 -4.23 -1.26 -2.84 115.64 109.95 2vnt s THR 128 Ca -0.07 0.54 0.08 0.00 -1.18 0.00 0.00 61.69 61.06 2vnt s THR 128 Cb -0.02 -3.77 0.02 0.00 1.34 0.00 0.00 72.50 70.06 2vnt s THR 128 CO -0.02 -0.65 0.58 -0.63 -0.54 0.00 0.00 174.62 173.37 2vnt s ILE 129 N -2.52 2.91 0.07 2.99 1.09 -0.67 -0.71 121.20 124.37 2vnt s ILE 129 Ca 0.51 -1.01 -0.09 0.00 -1.10 0.00 0.00 60.65 58.95 2vnt s ILE 129 Cb -0.10 -2.92 -0.06 0.00 -1.06 0.00 0.00 42.46 38.32 2vnt s ILE 129 CO 0.36 0.00 0.39 0.00 -0.10 0.00 0.00 174.94 175.59 2vnt s LEU 131 N -1.92 4.24 1.01 0.00 1.43 -1.26 0.81 118.68 123.00 2vnt s LEU 131 Ca 0.33 0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 53.82 2vnt s LEU 131 Cb -0.14 -3.27 0.11 0.00 0.03 0.00 0.00 46.19 42.92 2vnt s LEU 131 CO 0.18 0.01 0.53 -2.65 0.23 0.00 0.00 176.35 174.66 2vnt n PRO 132 N -0.19 -0.92 -2.58 1.29 -0.02 -1.26 -4.87 135.00 126.46 2vnt n PRO 132 Ca -0.03 -0.23 -0.28 0.00 -2.02 0.00 0.00 63.50 60.94 2vnt n PRO 132 Cb 0.52 -1.96 -0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2vnt n PRO 132 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2vnt s SER 133 N -2.15 6.30 -0.25 2.55 1.04 -1.26 -4.97 113.70 114.97 2vnt s SER 133 Ca 0.60 1.03 -0.29 0.00 0.48 0.00 0.00 55.95 57.77 2vnt s SER 133 Cb -0.20 -2.29 -0.03 0.00 0.10 0.00 0.00 66.02 63.61 2vnt s SER 133 CO 0.65 -0.58 1.72 -0.32 0.98 0.00 0.00 173.24 175.68 2vnt s MET 134 N -4.64 3.62 0.00 4.02 1.75 -1.26 -2.89 119.30 119.90 2vnt s MET 134 Ca 0.49 1.64 0.00 0.00 -1.25 0.00 0.00 55.69 56.57 2vnt s MET 134 Cb -0.10 -4.11 0.00 0.00 2.84 0.00 0.00 34.83 33.46 2vnt s MET 134 CO 0.44 -1.51 0.00 0.66 -0.65 0.00 0.00 175.02 173.96 2vnt n TYR 135 N 9.17 0.00 -4.27 4.11 4.02 -1.19 -5.10 117.16 123.90 2vnt n TYR 135 Ca 0.21 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.89 2vnt n TYR 135 Cb 0.46 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.66 2vnt n TYR 135 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2vnt s ASN 136 N 0.00 2.27 0.00 7.72 4.22 -1.14 -4.92 114.94 123.09 2vnt s ASN 136 Ca 0.00 -0.78 0.00 0.00 -2.14 0.00 0.00 52.86 49.94 2vnt s ASN 136 Cb 0.00 -0.11 0.00 0.00 1.28 0.00 0.00 41.25 42.42 2vnt s ASN 136 CO 0.00 -0.07 0.00 0.47 -2.04 0.00 0.00 177.10 175.46 2vnt n ASP 137 N 0.64 -0.91 -4.76 3.54 9.92 -1.26 -4.04 116.55 119.67 2vnt n ASP 137 Ca -0.16 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.75 2vnt n ASP 137 Cb 0.56 -0.46 0.02 0.00 -0.64 0.00 0.00 41.12 40.61 2vnt n ASP 137 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 2vnt s PRO 138 N -0.18 3.07 0.62 -0.24 0.02 -1.26 -5.03 135.00 132.00 2vnt s PRO 138 Ca 0.00 1.68 -0.18 0.00 0.02 0.00 0.00 61.00 62.52 2vnt s PRO 138 Cb 0.00 -1.96 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 2vnt s PRO 138 CO 0.00 -1.09 1.10 0.94 -0.33 0.00 0.00 177.00 177.61 2vnt n GLN 139 N -1.62 0.99 -1.46 5.54 -0.06 -1.26 -4.88 117.38 114.63 2vnt n GLN 139 Ca 0.12 0.39 -0.37 0.00 -2.00 0.00 0.00 57.00 55.14 2vnt n GLN 139 Cb 0.50 -2.32 0.06 0.00 -4.06 0.00 0.00 30.24 24.43 2vnt n GLN 139 CO 0.00 0.00 0.00 1.97 -0.20 0.00 0.00 177.06 178.83 2vnt n PHE 140 N -1.81 0.04 0.00 3.69 -1.74 -1.26 -1.92 117.46 114.46 2vnt n PHE 140 Ca 0.15 0.41 0.00 0.00 -0.56 0.00 0.00 57.45 57.44 2vnt n PHE 140 Cb 0.48 -2.03 0.00 0.00 1.52 0.00 0.00 39.48 39.45 2vnt n PHE 140 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2vnt n GLY 141 N 1.47 3.02 3.65 4.97 0.00 -0.13 -4.97 105.19 113.19 2vnt n GLY 141 Ca 0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.45 0.64 -2.78 2.61 -1.04 -0.81 -4.50 114.28 106.96 2vnt n THR 142 Ca 0.00 -0.16 -0.41 0.00 -2.04 0.00 0.00 64.05 61.44 2vnt n THR 142 Cb 0.00 -1.31 -0.03 0.00 -1.82 0.00 0.00 70.33 67.17 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 0.39 7.30 0.17 8.00 0.01 -1.26 -0.99 113.70 127.32 2vnt s SER 143 Ca 0.73 1.57 0.04 0.00 1.31 0.00 0.00 55.95 59.60 2vnt s SER 143 Cb -0.72 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 62.92 2vnt s SER 143 CO 0.47 -0.22 -0.07 0.00 0.41 0.00 0.00 173.24 173.83 2vnt s GLU 145 N -3.80 2.76 0.01 0.00 -1.05 0.15 -1.34 118.70 115.44 2vnt s GLU 145 Ca 0.20 -0.56 0.05 0.00 -0.15 0.00 0.00 54.97 54.51 2vnt s GLU 145 Cb 0.04 -2.58 -0.03 0.00 -0.44 0.00 0.00 34.13 31.11 2vnt s GLU 145 CO 0.03 0.64 -0.13 0.96 0.95 0.00 0.00 175.26 177.71 2vnt s ILE 146 N -0.76 3.16 0.05 1.83 -4.36 -0.81 -0.81 121.20 119.51 2vnt s ILE 146 Ca 0.12 -0.95 0.03 0.00 -0.26 0.00 0.00 60.65 59.59 2vnt s ILE 146 Cb -0.11 -2.34 -0.03 0.00 1.25 0.00 0.00 42.46 41.24 2vnt s ILE 146 CO 0.01 0.40 -0.10 0.42 0.24 0.00 0.00 174.94 175.91 2vnt s THR 147 N -0.92 0.77 0.00 8.37 -4.23 -1.20 -1.97 115.64 116.46 2vnt s THR 147 Ca 0.15 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 2vnt s THR 147 Cb -0.11 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.95 2vnt s THR 147 CO 0.05 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 2vnt n GLY 148 N 1.44 0.71 1.34 3.99 0.00 -0.58 -4.38 105.19 107.72 2vnt n GLY 148 Ca -0.22 -0.88 0.09 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.23 1.16 -1.26 1.61 3.72 -1.26 -2.09 117.46 119.11 2vnt n PHE 149 Ca 0.00 -0.49 -0.29 0.00 -0.05 0.00 0.00 57.45 56.62 2vnt n PHE 149 Cb 0.00 -0.15 0.18 0.00 -0.94 0.00 0.00 39.48 38.56 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 -0.89 1.57 0.38 1.37 0.00 -1.25 -4.18 107.32 104.33 2vnt s GLY 150 Ca 0.44 -0.49 -0.18 0.00 0.00 0.00 0.00 44.72 44.49 2vnt s GLY 150 CO 0.24 0.15 0.03 0.28 0.00 0.00 0.00 173.10 173.80 2vnt n LYS 151 N -4.15 0.00 0.00 2.90 4.01 0.35 -2.57 118.16 118.71 2vnt n LYS 151 Ca 0.06 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 57.97 2vnt n LYS 151 Cb 0.58 -0.90 -0.11 0.00 -0.51 0.00 0.00 35.03 34.09 2vnt n LYS 151 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2vnt n GLU 152 N 1.23 0.33 -3.82 1.97 1.02 -1.26 0.10 120.64 120.22 2vnt n GLU 152 Ca 0.09 -0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.03 2vnt n GLU 152 Cb 0.37 -1.53 -0.09 0.00 -0.02 0.00 0.00 31.44 30.17 2vnt n GLU 152 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2vnt s ASN 153 N -3.83 -0.05 0.31 1.62 0.02 -1.26 -4.46 114.94 107.29 2vnt s ASN 153 Ca 0.00 -0.15 0.14 0.00 -1.02 0.00 0.00 52.86 51.83 2vnt s ASN 153 Cb 0.15 0.27 0.46 0.00 0.02 0.00 0.00 41.25 42.15 2vnt s ASN 153 CO 0.87 -0.46 1.65 0.77 0.02 0.00 0.00 177.10 179.95 2vnt h SER 154 N 3.85 0.00 0.53 -1.22 4.64 -1.92 -3.16 113.55 116.27 2vnt h SER 154 Ca -0.31 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 2vnt h SER 154 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2vnt h SER 154 CO 0.43 0.53 -0.07 0.71 -0.87 0.00 0.00 176.83 177.55 2vnt h THR 155 N 0.00 0.30 -3.97 2.95 1.35 -2.01 -3.46 112.91 108.07 2vnt h THR 155 Ca -0.01 -0.48 -0.53 0.00 -0.55 0.00 0.00 66.41 64.84 2vnt h THR 155 Cb 1.04 1.37 0.09 0.00 -1.73 0.00 0.00 68.15 68.92 2vnt h THR 155 CO 0.07 0.07 0.60 -1.81 -0.25 0.00 0.00 175.52 174.20 2vnt s ASP 156 N -5.84 6.12 -0.18 5.36 -0.00 -1.20 -5.00 116.67 115.94 2vnt s ASP 156 Ca -0.02 2.63 -0.10 0.00 -0.00 0.00 0.00 52.55 55.06 2vnt s ASP 156 Cb 0.12 -2.63 -0.22 0.00 -0.00 0.00 0.00 42.92 40.19 2vnt s ASP 156 CO 0.54 -0.98 0.17 0.00 -0.00 0.00 0.00 175.17 174.90 2vnt n TYR 157 N -0.15 0.89 -3.98 4.23 4.11 -1.26 -4.97 117.16 116.02 2vnt n TYR 157 Ca 0.05 0.24 -0.24 0.00 -0.00 0.00 0.00 57.90 57.95 2vnt n TYR 157 Cb 0.44 -1.11 -0.03 0.00 -0.00 0.00 0.00 39.34 38.64 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 -7.21 4.22 0.42 -3.48 2.01 -1.26 -5.09 118.68 108.29 2vnt s LEU 158 Ca -0.27 0.07 -0.22 0.00 0.01 0.00 0.00 54.13 53.71 2vnt s LEU 158 Cb 0.08 -2.78 -0.10 0.00 0.01 0.00 0.00 46.19 43.39 2vnt s LEU 158 CO 0.67 0.01 0.99 -0.31 1.01 0.00 0.00 176.35 178.73 2vnt s TYR 159 N -1.84 3.27 0.75 0.29 2.02 -1.26 -4.76 117.35 115.82 2vnt s TYR 159 Ca 0.34 1.63 -0.14 0.00 -0.37 0.00 0.00 57.07 58.53 2vnt s TYR 159 Cb -0.10 -2.98 0.05 0.00 -0.40 0.00 0.00 41.96 38.53 2vnt s TYR 159 CO 0.28 -0.37 1.19 -1.25 -1.57 0.00 0.00 175.55 173.83 2vnt s PRO 160 N -2.88 2.04 0.18 -1.71 0.04 -1.26 -4.93 135.00 126.48 2vnt s PRO 160 Ca 0.61 1.69 -0.09 0.00 0.04 0.00 0.00 61.00 63.25 2vnt s PRO 160 Cb -0.15 -1.83 0.06 0.00 0.04 0.00 0.00 34.50 32.62 2vnt s PRO 160 CO 0.20 -1.90 1.61 0.93 0.04 0.00 0.00 177.00 177.88 2vnt h GLU 161 N -0.50 1.02 -6.25 4.56 5.08 -1.96 -3.44 114.58 113.08 2vnt h GLU 161 Ca -0.47 -0.37 -0.66 0.00 -1.00 0.00 0.00 59.36 56.86 2vnt h GLU 161 Cb 1.29 -0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.33 2vnt h GLU 161 CO 0.49 1.06 -0.66 -1.14 -1.00 0.00 0.00 179.01 177.75 2vnt s GLN 162 N -4.85 2.65 0.30 2.33 2.00 -1.26 -1.05 119.66 119.77 2vnt s GLN 162 Ca -0.11 -0.71 -0.29 0.00 -2.00 0.00 0.00 55.36 52.24 2vnt s GLN 162 Cb 0.13 -2.58 -0.13 0.00 0.80 0.00 0.00 33.01 31.22 2vnt s GLN 162 CO 0.86 0.59 1.22 -0.11 -0.50 0.00 0.00 175.29 177.36 2vnt n LEU 163 N 1.16 2.84 -4.40 3.68 7.94 -0.82 -4.90 117.00 122.50 2vnt n LEU 163 Ca -0.14 1.18 -0.28 0.00 -1.11 0.00 0.00 56.01 55.67 2vnt n LEU 163 Cb 0.52 -1.40 -0.12 0.00 0.53 0.00 0.00 43.42 42.95 2vnt n LEU 163 CO 0.35 -0.80 -0.55 -0.54 -1.11 0.00 0.00 177.39 174.74 2vnt s LYS 164 N -1.42 1.45 0.05 1.96 -0.14 -0.89 -0.92 119.74 119.82 2vnt s LYS 164 Ca 0.60 -1.42 0.01 0.00 -1.36 0.00 0.00 55.97 53.80 2vnt s LYS 164 Cb -0.64 -1.88 -0.03 0.00 -1.68 0.00 0.00 37.83 33.61 2vnt s LYS 164 CO 0.59 0.43 -0.06 0.00 -0.76 0.00 0.00 175.35 175.55 2vnt s MET 165 N -2.31 0.53 0.28 1.68 0.23 0.71 -1.52 119.30 118.92 2vnt s MET 165 Ca 0.17 -0.88 0.00 0.00 -1.03 0.00 0.00 55.69 53.95 2vnt s MET 165 Cb -0.09 -0.10 -0.02 0.00 -1.53 0.00 0.00 34.83 33.08 2vnt s MET 165 CO 0.08 -0.01 0.30 -0.08 -2.03 0.00 0.00 175.02 173.27 2vnt s THR 166 N -2.13 0.00 0.02 3.16 -1.32 -0.83 -0.57 115.64 113.97 2vnt s THR 166 Ca -0.06 -1.84 0.07 0.00 -1.21 0.00 0.00 61.69 58.65 2vnt s THR 166 Cb -0.05 -2.50 -0.03 0.00 -1.51 0.00 0.00 72.50 68.41 2vnt s THR 166 CO -0.02 0.00 -0.19 0.68 -2.21 0.00 0.00 174.62 172.88 2vnt s VAL 167 N -3.64 2.68 -0.05 5.08 -7.23 -1.26 -1.92 120.40 114.06 2vnt s VAL 167 Ca 0.36 -1.12 -0.06 0.00 -1.81 0.00 0.00 61.98 59.34 2vnt s VAL 167 Cb 0.03 -2.09 0.01 0.00 0.56 0.00 0.00 36.38 34.90 2vnt s VAL 167 CO 0.19 0.41 0.17 0.54 -0.31 0.00 0.00 175.10 176.10 2vnt s VAL 168 N -0.84 0.02 -0.19 1.32 0.11 -0.45 -4.81 120.40 115.56 2vnt s VAL 168 Ca 0.13 -0.15 -0.08 0.00 -2.93 0.00 0.00 61.98 58.94 2vnt s VAL 168 Cb -0.10 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2vnt s VAL 168 CO 0.03 -0.08 0.09 -1.59 -3.33 0.00 0.00 175.10 170.22 2vnt s LYS 169 N -0.24 4.05 0.34 1.54 -2.85 -0.09 -1.07 119.74 121.42 2vnt s LYS 169 Ca -0.03 -0.28 -0.25 0.00 -1.00 0.00 0.00 55.97 54.41 2vnt s LYS 169 Cb -0.03 -3.30 -0.15 0.00 -2.06 0.00 0.00 37.83 32.30 2vnt s LYS 169 CO 0.01 0.30 0.53 1.28 0.10 0.00 0.00 175.35 177.57 2vnt n LEU 170 N 3.47 -0.59 -4.13 2.77 4.32 -0.16 -2.25 117.00 120.44 2vnt n LEU 170 Ca -0.16 1.00 -0.26 0.00 -0.02 0.00 0.00 56.01 56.56 2vnt n LEU 170 Cb 0.52 -1.05 -0.16 0.00 -1.62 0.00 0.00 43.42 41.11 2vnt n LEU 170 CO 0.36 -2.91 -0.50 -0.63 -1.22 0.00 0.00 177.39 172.48 2vnt s ILE 171 N -1.31 1.41 0.49 -0.08 1.01 -0.61 -0.96 121.20 121.15 2vnt s ILE 171 Ca 0.62 -0.70 -0.23 0.00 0.00 0.00 0.00 60.65 60.34 2vnt s ILE 171 Cb -0.72 -1.21 -0.06 0.00 0.01 0.00 0.00 42.46 40.48 2vnt s ILE 171 CO 0.59 0.41 1.26 -0.94 0.00 0.00 0.00 174.94 176.26 2vnt s SER 172 N 0.07 5.77 0.29 3.58 1.04 -1.26 -4.31 113.70 118.90 2vnt s SER 172 Ca -0.04 2.54 0.02 0.00 0.48 0.00 0.00 55.95 58.94 2vnt s SER 172 Cb -0.12 -2.62 0.57 0.00 0.10 0.00 0.00 66.02 63.95 2vnt s SER 172 CO 0.02 -1.21 1.86 -0.74 0.98 0.00 0.00 173.24 174.16 2vnt h HIS 173 N 1.83 1.09 -0.52 5.02 2.76 -1.97 -1.27 115.15 122.10 2vnt h HIS 173 Ca -0.50 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 57.59 2vnt h HIS 173 Cb 1.27 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.86 2vnt h HIS 173 CO 0.50 0.47 -0.10 0.07 -1.30 0.00 0.00 177.93 177.58 2vnt h ARG 174 N 0.99 0.98 0.00 5.26 -0.00 -2.00 -3.07 114.38 116.54 2vnt h ARG 174 Ca 0.46 -0.36 -0.08 0.00 -0.00 0.00 0.00 59.98 60.00 2vnt h ARG 174 Cb 0.42 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.32 2vnt h ARG 174 CO -0.22 1.04 -0.40 1.05 -0.00 0.00 0.00 179.97 181.43 2vnt h GLU 175 N 0.85 0.00 0.00 0.08 4.11 -1.77 -2.97 114.58 114.88 2vnt h GLU 175 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 2vnt h GLU 175 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2vnt h GLU 175 CO 0.05 0.40 0.00 0.00 0.07 0.00 0.00 179.01 179.52 2vnt n GLN 177 N -0.83 2.70 -1.57 0.00 6.02 -1.12 -4.05 117.38 118.52 2vnt n GLN 177 Ca 0.15 -2.56 -0.55 0.00 -0.01 0.00 0.00 57.00 54.03 2vnt n GLN 177 Cb 0.07 -1.63 -0.07 0.00 1.02 0.00 0.00 30.24 29.63 2vnt n GLN 177 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2vnt n GLN 178 N -0.41 1.07 0.00 -1.09 7.27 -1.14 -3.49 117.38 119.60 2vnt n GLN 178 Ca 0.17 0.36 0.00 0.00 0.07 0.00 0.00 57.00 57.60 2vnt n GLN 178 Cb 0.72 -2.20 0.00 0.00 2.41 0.00 0.00 30.24 31.17 2vnt n GLN 178 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 2vnt n PRO 179 N 6.67 0.00 -3.74 3.69 -0.02 -1.26 -2.31 135.00 138.03 2vnt n PRO 179 Ca 0.34 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.53 2vnt n PRO 179 Cb 0.16 -1.34 -0.15 0.00 -0.02 0.00 0.00 33.50 32.15 2vnt n PRO 179 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2vnt s HIS 180 N -1.63 1.52 0.00 6.00 -3.43 -1.26 -4.93 115.29 111.56 2vnt s HIS 180 Ca 0.00 -1.46 0.00 0.00 -0.80 0.00 0.00 55.06 52.80 2vnt s HIS 180 Cb 0.00 -1.48 0.00 0.00 -1.43 0.00 0.00 32.58 29.67 2vnt s HIS 180 CO 0.00 -0.79 0.00 0.66 -2.00 0.00 0.00 174.74 172.61 2vnt n TYR 181 N 4.91 0.00 0.00 0.38 4.02 -0.98 -4.88 117.16 120.61 2vnt n TYR 181 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 2vnt n TYR 181 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 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 -1.21 -4.90 117.16 114.33 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 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 1.02 1.46 0.13 2.72 0.00 -1.05 -3.15 105.19 106.33 2vnt n GLY 183 Ca 0.00 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 0.02 0.42 -0.00 1.61 3.41 -1.26 -3.86 113.62 113.95 2vnt n SER 184 Ca 0.00 -0.95 -0.00 0.00 -0.26 0.00 0.00 58.87 57.66 2vnt n SER 184 Cb 0.00 -0.04 0.29 0.00 -0.26 0.00 0.00 64.21 64.20 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 0.62 0.53 -6.63 4.33 4.39 -1.92 -3.43 114.58 112.48 2vnt h GLU 185 Ca 0.00 -0.11 -0.51 0.00 0.34 0.00 0.00 59.36 59.08 2vnt h GLU 185 Cb 0.20 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2vnt h GLU 185 CO 0.00 0.56 0.38 0.08 -1.16 0.00 0.00 179.01 178.87 2vnt s VAL 186 N -4.97 4.28 0.21 3.13 1.01 -1.25 -4.91 120.40 117.92 2vnt s VAL 186 Ca -0.08 2.00 0.00 0.00 0.00 0.00 0.00 61.98 63.91 2vnt s VAL 186 Cb 0.15 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2vnt s VAL 186 CO 0.77 0.36 0.04 0.35 0.00 0.00 0.00 175.10 176.61 2vnt n THR 187 N 2.39 0.00 0.78 3.92 -2.24 -1.26 -5.01 114.28 112.86 2vnt n THR 187 Ca 0.01 -0.98 0.11 0.00 -2.27 0.00 0.00 64.05 60.93 2vnt n THR 187 Cb 0.48 0.09 0.48 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.64 0.45 1.10 4.28 -2.24 -1.26 -2.96 114.28 113.01 2vnt n THR 188 Ca -0.07 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 2vnt n THR 188 Cb 0.27 -0.73 0.19 0.00 -2.10 0.00 0.00 70.33 67.96 2vnt n THR 188 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2vnt n LYS 189 N -1.50 2.20 -4.46 -0.78 4.76 -1.26 -4.92 118.16 112.19 2vnt n LYS 189 Ca 0.05 -1.74 -0.28 0.00 -2.87 0.00 0.00 58.31 53.47 2vnt n LYS 189 Cb 0.26 -1.46 -0.08 0.00 -1.84 0.00 0.00 35.03 31.91 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 -1.99 2.12 -0.23 1.97 -1.94 -1.15 -0.99 119.30 117.08 2vnt s MET 190 Ca 0.30 -2.11 -0.18 0.00 -1.71 0.00 0.00 55.69 51.98 2vnt s MET 190 Cb 0.20 -1.74 0.06 0.00 2.01 0.00 0.00 34.83 35.37 2vnt s MET 190 CO 0.31 -0.21 0.60 -1.17 -0.01 0.00 0.00 175.02 174.54 2vnt s LEU 191 N -3.86 -0.46 0.06 -0.03 0.20 -0.06 -4.56 118.68 109.97 2vnt s LEU 191 Ca 0.28 1.26 0.04 0.00 0.69 0.00 0.00 54.13 56.40 2vnt s LEU 191 Cb 0.05 2.07 -0.04 0.00 -0.43 0.00 0.00 46.19 47.84 2vnt s LEU 191 CO 0.15 -0.22 0.00 0.00 -0.29 0.00 0.00 176.35 176.00 2vnt s ALA 193 N -1.24 -0.88 0.28 0.00 0.00 -0.72 -1.58 121.76 117.63 2vnt s ALA 193 Ca 0.24 0.79 -0.21 0.00 0.00 0.00 0.00 51.96 52.78 2vnt s ALA 193 Cb -0.12 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.69 2vnt s ALA 193 CO 0.16 -0.21 0.76 0.00 0.00 0.00 0.00 175.76 176.47 2vnt s ALA 194 N -0.38 -1.19 -0.01 0.00 0.00 -0.95 -1.24 121.76 118.00 2vnt s ALA 194 Ca -0.05 -0.34 -0.20 0.00 0.00 0.00 0.00 51.96 51.37 2vnt s ALA 194 Cb -0.03 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 2vnt s ALA 194 CO 0.02 -1.03 0.57 0.34 0.00 0.00 0.00 175.76 175.66 2vnt s ASP 195 N -2.95 6.95 0.31 0.00 3.68 -1.25 -0.91 116.67 122.49 2vnt s ASP 195 Ca 0.12 1.13 0.07 0.00 2.13 0.00 0.00 52.55 56.00 2vnt s ASP 195 Cb -0.05 -2.35 0.82 0.00 -1.45 0.00 0.00 42.92 39.89 2vnt s ASP 195 CO 0.07 0.12 1.72 -0.65 0.13 0.00 0.00 175.17 176.56 2vnt h PRO 196 N 5.58 0.49 -1.53 4.34 0.11 -1.94 -3.42 132.00 135.63 2vnt h PRO 196 Ca -0.46 -0.03 -0.45 0.00 0.11 0.00 0.00 66.00 65.18 2vnt h PRO 196 Cb 1.20 -0.11 -0.40 0.00 0.11 0.00 0.00 31.00 31.80 2vnt h PRO 196 CO 0.69 0.33 -1.11 1.04 -0.21 0.00 0.00 178.00 178.74 2vnt n GLN 197 N -4.95 1.46 -2.90 1.05 1.13 -1.26 -4.91 117.38 107.00 2vnt n GLN 197 Ca 0.25 -3.55 -0.22 0.00 -1.94 0.00 0.00 57.00 51.54 2vnt n GLN 197 Cb 0.71 -1.59 -0.02 0.00 0.11 0.00 0.00 30.24 29.44 2vnt n GLN 197 CO 0.00 0.00 0.00 1.87 -1.44 0.00 0.00 177.06 177.49 2vnt n TRP 198 N 0.01 2.44 0.59 1.08 -0.00 -1.26 -4.99 117.44 115.31 2vnt n TRP 198 Ca 0.20 -3.65 0.09 0.00 -0.00 0.00 0.00 57.50 54.13 2vnt n TRP 198 Cb 0.71 -0.39 -0.11 0.00 -0.00 0.00 0.00 31.31 31.52 2vnt n TRP 198 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2vnt n LYS 199 N -0.11 1.02 -4.14 5.87 4.76 -1.26 -4.49 118.16 119.81 2vnt n LYS 199 Ca 0.28 -0.05 -0.16 0.00 -2.87 0.00 0.00 58.31 55.51 2vnt n LYS 199 Cb 0.57 -1.36 -0.12 0.00 -1.84 0.00 0.00 35.03 32.28 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 -2.83 0.93 -0.06 -0.18 -1.32 -1.26 -3.99 115.64 106.93 2vnt s THR 200 Ca 0.03 -1.26 -0.31 0.00 -1.21 0.00 0.00 61.69 58.94 2vnt s THR 200 Cb 0.13 -0.95 0.12 0.00 -1.51 0.00 0.00 72.50 70.29 2vnt s THR 200 CO 0.73 -0.29 1.18 -0.62 -2.21 0.00 0.00 174.62 173.41 2vnt s ASP 201 N -1.73 -0.13 0.92 8.08 2.15 -1.26 -3.91 116.67 120.79 2vnt s ASP 201 Ca -0.04 -0.10 -0.12 0.00 0.43 0.00 0.00 52.55 52.72 2vnt s ASP 201 Cb -0.10 0.21 0.14 0.00 -0.30 0.00 0.00 42.92 42.88 2vnt s ASP 201 CO 0.02 -0.37 1.10 -0.94 -0.17 0.00 0.00 175.17 174.81 2vnt s SER 202 N -2.62 3.34 0.38 -0.34 1.04 -1.26 -1.35 113.70 112.88 2vnt s SER 202 Ca 0.11 1.23 -0.09 0.00 0.48 0.00 0.00 55.95 57.68 2vnt s SER 202 Cb 0.01 -1.89 0.03 0.00 0.10 0.00 0.00 66.02 64.28 2vnt s SER 202 CO -0.04 -2.69 0.66 0.00 0.98 0.00 0.00 173.24 172.15 2vnt n GLN 204 N -0.56 0.47 0.00 0.00 0.00 -1.26 -1.46 117.38 114.57 2vnt n GLN 204 Ca -0.04 0.17 0.00 0.00 -0.00 0.00 0.00 57.00 57.12 2vnt n GLN 204 Cb 0.61 -1.68 0.00 0.00 0.00 0.00 0.00 30.24 29.17 2vnt n GLN 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2vnt n GLY 205 N 1.90 3.31 0.02 1.69 0.00 -1.26 -0.49 105.19 110.35 2vnt n GLY 205 Ca 0.19 0.00 0.11 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 0.64 -4.60 1.61 8.00 -0.53 -3.80 116.55 117.86 2vnt n ASP 206 Ca 0.00 -0.29 -0.40 0.00 0.71 0.00 0.00 54.79 54.81 2vnt n ASP 206 Cb 0.00 0.67 0.02 0.00 -0.02 0.00 0.00 41.12 41.79 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 -1.82 1.00 0.00 -2.24 7.64 -1.26 -1.43 113.62 115.51 2vnt n SER 207 Ca 0.03 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.87 2vnt n SER 207 Cb 0.40 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 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 1.24 3.07 3.84 0.23 0.00 -0.76 -1.52 105.19 111.30 2vnt n GLY 208 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.44 1.64 0.27 -0.02 0.00 -0.51 -3.27 107.32 103.99 2vnt s GLY 209 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 44.72 44.27 2vnt s GLY 209 CO 0.00 0.20 1.15 2.56 0.00 0.00 0.00 173.10 177.01 2vnt s PRO 210 N -5.19 4.57 -0.29 2.90 0.04 -1.26 -1.80 135.00 133.98 2vnt s PRO 210 Ca 0.59 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 63.46 2vnt s PRO 210 Cb -0.13 -3.18 0.03 0.00 0.04 0.00 0.00 34.50 31.26 2vnt s PRO 210 CO 0.54 0.11 0.02 -1.17 0.04 0.00 0.00 177.00 176.53 2vnt s LEU 211 N -1.31 3.69 -0.08 -3.56 0.20 -0.77 -3.21 118.68 113.63 2vnt s LEU 211 Ca 0.46 -0.91 0.04 0.00 0.69 0.00 0.00 54.13 54.42 2vnt s LEU 211 Cb -0.33 -1.78 -0.01 0.00 -0.43 0.00 0.00 46.19 43.64 2vnt s LEU 211 CO 0.42 -0.20 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.37 2vnt s VAL 212 N 1.39 2.22 0.06 1.68 1.01 0.01 -1.92 120.40 124.85 2vnt s VAL 212 Ca -0.00 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.01 2vnt s VAL 212 Cb -0.18 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 2vnt s VAL 212 CO -0.00 0.56 -0.06 0.00 0.00 0.00 0.00 175.10 175.60 2vnt s SER 214 N -2.33 7.03 -0.24 0.00 0.15 -1.26 -1.27 113.70 115.77 2vnt s SER 214 Ca -0.00 2.18 -0.03 0.00 0.70 0.00 0.00 55.95 58.80 2vnt s SER 214 Cb -0.01 -2.59 0.13 0.00 -1.71 0.00 0.00 66.02 61.83 2vnt s SER 214 CO -0.04 -0.47 0.40 -0.22 1.20 0.00 0.00 173.24 174.12 2vnt s LEU 215 N 0.48 -0.68 -1.26 3.45 1.98 0.31 -4.87 118.68 118.08 2vnt s LEU 215 Ca 0.57 0.42 -0.08 0.00 -2.89 0.00 0.00 54.13 52.15 2vnt s LEU 215 Cb -0.32 1.23 -0.01 0.00 0.66 0.00 0.00 46.19 47.75 2vnt s LEU 215 CO 0.33 -0.28 0.65 0.00 -1.89 0.00 0.00 176.35 175.16 2vnt n GLN 216 N 5.37 -2.89 -0.93 1.98 6.02 -1.26 -2.57 117.38 123.11 2vnt n GLN 216 Ca -0.04 0.50 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 2vnt n GLN 216 Cb 0.50 -4.59 0.00 0.00 1.02 0.00 0.00 30.24 27.17 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 -1.73 0.84 2.97 1.08 0.00 -1.26 -5.02 105.19 102.07 2vnt n GLY 217 Ca -0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.07 0.43 0.00 1.61 0.52 -1.06 -5.13 118.95 115.26 2vnt s ARG 218 Ca 0.00 -0.24 -0.30 0.00 -0.52 0.00 0.00 55.73 54.67 2vnt s ARG 218 Cb 0.00 -0.40 -0.04 0.00 0.52 0.00 0.00 34.95 35.03 2vnt s ARG 218 CO 0.00 0.11 1.12 1.41 0.02 0.00 0.00 175.30 177.95 2vnt s MET 219 N -0.26 4.45 -0.05 3.54 1.75 -1.26 -0.53 119.30 126.93 2vnt s MET 219 Ca 0.01 1.61 -0.03 0.00 -1.25 0.00 0.00 55.69 56.02 2vnt s MET 219 Cb -0.03 -3.44 0.02 0.00 2.84 0.00 0.00 34.83 34.23 2vnt s MET 219 CO -0.00 -0.24 0.13 0.95 -0.65 0.00 0.00 175.02 175.21 2vnt s THR 220 N 1.37 -0.03 -1.16 10.11 -4.23 -0.40 -2.66 115.64 118.64 2vnt s THR 220 Ca 0.55 0.09 -0.21 0.00 -1.18 0.00 0.00 61.69 60.95 2vnt s THR 220 Cb -0.25 -0.20 0.04 0.00 1.34 0.00 0.00 72.50 73.42 2vnt s THR 220 CO 0.26 0.04 1.68 -0.22 -0.54 0.00 0.00 174.62 175.84 2vnt s LEU 221 N 0.62 3.58 0.10 4.79 0.20 0.24 -1.58 118.68 126.63 2vnt s LEU 221 Ca -0.05 -1.88 0.08 0.00 0.69 0.00 0.00 54.13 52.97 2vnt s LEU 221 Cb -0.06 -2.58 -0.21 0.00 -0.43 0.00 0.00 46.19 42.91 2vnt s LEU 221 CO -0.03 -1.63 1.21 0.74 -0.29 0.00 0.00 176.35 176.35 2vnt h THR 222 N 6.19 1.62 -4.28 3.68 2.02 -1.68 -3.38 112.91 117.08 2vnt h THR 222 Ca 0.31 -3.35 -0.16 0.00 0.77 0.00 0.00 66.41 63.98 2vnt h THR 222 Cb 0.94 2.80 -0.14 0.00 -1.74 0.00 0.00 68.15 70.01 2vnt h THR 222 CO 1.40 0.93 -0.56 -0.83 0.37 0.00 0.00 175.52 176.82 2vnt s GLY 223 N -4.75 0.83 -0.04 2.16 0.00 -1.05 -2.49 107.32 101.98 2vnt s GLY 223 Ca 0.00 -1.31 0.04 0.00 0.00 0.00 0.00 44.72 43.46 2vnt s GLY 223 CO 0.82 -1.22 -0.17 -0.42 0.00 0.00 0.00 173.10 172.11 2vnt s ILE 224 N -4.02 1.41 0.32 0.90 1.01 -0.73 -1.85 121.20 118.24 2vnt s ILE 224 Ca 0.21 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 2vnt s ILE 224 Cb 0.06 -1.21 -0.11 0.00 0.01 0.00 0.00 42.46 41.21 2vnt s ILE 224 CO 0.01 0.41 1.57 -0.69 0.00 0.00 0.00 174.94 176.24 2vnt s VAL 225 N -0.01 2.03 0.01 2.92 1.01 -0.75 -1.08 120.40 124.53 2vnt s VAL 225 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2vnt s VAL 225 Cb -0.11 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.26 2vnt s VAL 225 CO 0.02 0.00 0.00 -0.24 0.00 0.00 0.00 175.10 174.88 2vnt n SER 226 N 1.68 0.00 -2.70 3.32 2.88 -0.95 -1.84 113.62 116.02 2vnt n SER 226 Ca 0.06 0.02 -0.09 0.00 -1.33 0.00 0.00 58.87 57.52 2vnt n SER 226 Cb 0.38 0.01 0.01 0.00 -0.75 0.00 0.00 64.21 63.86 2vnt n SER 226 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2vnt n TRP 227 N -2.53 -2.08 0.00 0.66 4.27 -0.94 -4.92 117.44 111.90 2vnt n TRP 227 Ca 0.00 -1.83 0.00 0.00 -3.89 0.00 0.00 57.50 51.78 2vnt n TRP 227 Cb 0.00 0.79 0.00 0.00 -1.36 0.00 0.00 31.31 30.74 2vnt n TRP 227 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2vnt n GLY 228 N -0.51 1.65 3.67 -1.67 0.00 -1.26 -0.60 105.19 106.48 2vnt n GLY 228 Ca -0.06 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 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 4.15 1.56 1.61 3.52 -1.26 -4.94 118.95 121.59 2vnt s ARG 229 Ca 0.00 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.66 2vnt s ARG 229 Cb 0.00 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.86 2vnt s ARG 229 CO 0.00 0.01 0.00 0.41 -0.81 0.00 0.00 175.30 174.91 2vnt n GLY 230 N 3.97 -1.50 2.74 8.12 0.00 -1.26 -4.72 105.19 112.54 2vnt n GLY 230 Ca -0.10 -1.26 -0.20 0.00 0.00 0.00 0.00 46.02 44.46 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 4.91 -1.83 -2.48 0.00 0.00 -1.26 -4.90 120.51 114.95 2vnt n ALA 232 Ca -0.11 -0.06 -0.34 0.00 0.00 0.00 0.00 53.44 52.93 2vnt n ALA 232 Cb 0.50 -2.65 -0.05 0.00 0.00 0.00 0.00 19.45 17.25 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 -6.82 4.28 0.38 0.00 1.02 -1.26 -4.77 118.68 111.51 2vnt s LEU 233 Ca 0.17 0.88 -0.28 0.00 0.02 0.00 0.00 54.13 54.93 2vnt s LEU 233 Cb -0.08 -3.33 -0.11 0.00 0.02 0.00 0.00 46.19 42.68 2vnt s LEU 233 CO 0.81 0.06 1.45 1.17 0.02 0.00 0.00 176.35 179.85 2vnt n LYS 234 N 0.43 2.54 -0.87 1.70 4.81 -1.26 -1.98 118.16 123.53 2vnt n LYS 234 Ca -0.04 0.89 -0.04 0.00 -0.87 0.00 0.00 58.31 58.25 2vnt n LYS 234 Cb 0.52 -2.60 -0.02 0.00 0.02 0.00 0.00 35.03 32.95 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 0.47 -3.65 -3.89 3.14 9.92 -1.26 -4.91 116.55 116.37 2vnt n ASP 235 Ca 0.02 0.10 -0.29 0.00 -0.53 0.00 0.00 54.79 54.09 2vnt n ASP 235 Cb 0.38 -2.65 -0.13 0.00 -0.64 0.00 0.00 41.12 38.08 2vnt n ASP 235 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2vnt s LYS 236 N -1.85 1.94 1.06 -1.24 -0.14 -0.84 -4.60 119.74 114.08 2vnt s LYS 236 Ca 0.00 -2.67 -0.13 0.00 -1.36 0.00 0.00 55.97 51.82 2vnt s LYS 236 Cb 0.00 -3.14 0.23 0.00 -1.68 0.00 0.00 37.83 33.24 2vnt s LYS 236 CO 0.00 -1.16 1.07 -1.25 -0.76 0.00 0.00 175.35 173.25 2vnt s PRO 237 N -0.43 -0.09 0.43 -1.68 0.04 -1.26 -4.07 135.00 127.94 2vnt s PRO 237 Ca 0.19 0.57 -0.06 0.00 0.04 0.00 0.00 61.00 61.73 2vnt s PRO 237 Cb -0.21 -1.67 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 2vnt s PRO 237 CO -0.04 -3.10 0.74 0.20 0.04 0.00 0.00 177.00 174.84 2vnt s GLY 238 N -3.19 1.65 0.01 0.56 0.00 -0.37 -4.57 107.32 101.41 2vnt s GLY 238 Ca 0.66 -0.46 0.03 0.00 0.00 0.00 0.00 44.72 44.96 2vnt s GLY 238 CO 0.60 -0.30 -0.11 0.14 0.00 0.00 0.00 173.10 173.43 2vnt s VAL 239 N -2.53 0.85 0.01 1.40 1.01 0.24 -1.75 120.40 119.62 2vnt s VAL 239 Ca 0.47 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.85 2vnt s VAL 239 Cb -0.10 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 2vnt s VAL 239 CO 0.39 0.11 -0.10 -0.31 0.00 0.00 0.00 175.10 175.19 2vnt s TYR 240 N -0.50 0.85 0.07 5.22 1.51 0.96 -2.22 117.35 123.23 2vnt s TYR 240 Ca 0.02 -0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 55.54 2vnt s TYR 240 Cb -0.05 -0.53 -0.09 0.00 -0.11 0.00 0.00 41.96 41.17 2vnt s TYR 240 CO 0.00 -0.01 1.86 0.99 -1.11 0.00 0.00 175.55 177.28 2vnt s THR 241 N -0.48 2.86 -0.65 -0.71 2.01 -0.24 -0.88 115.64 117.55 2vnt s THR 241 Ca 0.01 0.13 -0.27 0.00 0.31 0.00 0.00 61.69 61.88 2vnt s THR 241 Cb -0.05 -3.08 -0.00 0.00 0.01 0.00 0.00 72.50 69.37 2vnt s THR 241 CO 0.00 -0.01 1.64 -0.60 -0.69 0.00 0.00 174.62 174.96 2vnt s ARG 242 N 3.53 2.86 0.38 4.92 6.06 -0.16 -1.77 118.95 134.76 2vnt s ARG 242 Ca 0.83 0.31 0.17 0.00 -2.50 0.00 0.00 55.73 54.53 2vnt s ARG 242 Cb -0.43 -4.30 0.76 0.00 0.06 0.00 0.00 34.95 31.04 2vnt s ARG 242 CO 0.38 -2.49 1.79 0.28 -2.50 0.00 0.00 175.30 172.76 2vnt h VAL 243 N 6.56 1.03 0.00 7.11 2.07 -1.76 -2.76 116.25 128.51 2vnt h VAL 243 Ca -0.27 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 65.87 2vnt h VAL 243 Cb 1.12 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2vnt h VAL 243 CO 1.24 0.36 0.00 -1.54 0.02 0.00 0.00 177.57 177.65 2vnt n SER 244 N -3.76 0.00 -1.63 0.57 3.41 -1.26 -2.17 113.62 108.78 2vnt n SER 244 Ca -0.01 -0.20 0.08 0.00 -0.26 0.00 0.00 58.87 58.47 2vnt n SER 244 Cb 0.45 -0.20 0.37 0.00 -0.26 0.00 0.00 64.21 64.57 2vnt n SER 244 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2vnt n HIS 245 N -1.20 1.73 -1.22 7.33 8.25 -1.04 -3.20 115.22 125.88 2vnt n HIS 245 Ca 0.12 -0.73 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 2vnt n HIS 245 Cb 0.14 -0.42 0.01 0.00 1.12 0.00 0.00 29.99 30.83 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 0.50 0.00 -0.15 4.41 3.01 -0.92 -4.90 117.46 119.42 2vnt n PHE 246 Ca 0.26 -0.08 -0.05 0.00 1.01 0.00 0.00 57.45 58.60 2vnt n PHE 246 Cb 1.07 -0.02 0.04 0.00 -0.01 0.00 0.00 39.48 40.56 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 0.31 -0.14 4.37 3.38 -1.77 0.41 115.31 121.87 2vnt h LEU 247 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2vnt h LEU 247 Cb 1.08 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2vnt h LEU 247 CO 0.00 0.22 0.05 -0.65 0.09 0.00 0.00 178.44 178.15 2vnt h PRO 248 N 0.44 0.22 -0.65 1.13 0.11 -1.94 -1.46 132.00 129.85 2vnt h PRO 248 Ca 0.21 -0.05 0.14 0.00 0.11 0.00 0.00 66.00 66.41 2vnt h PRO 248 Cb 0.13 -0.03 -0.12 0.00 0.11 0.00 0.00 31.00 31.10 2vnt h PRO 248 CO -0.16 0.34 -0.07 2.35 -0.21 0.00 0.00 178.00 180.25 2vnt h TRP 249 N 0.05 -0.18 -0.08 0.65 7.01 -1.76 0.23 115.95 121.88 2vnt h TRP 249 Ca 0.05 0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 2vnt h TRP 249 Cb 0.21 0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.45 2vnt h TRP 249 CO -0.00 -0.23 0.04 0.82 -2.79 0.00 0.00 178.44 176.28 2vnt h ILE 250 N 0.06 1.11 -0.47 2.65 2.04 -0.20 -3.04 117.51 119.66 2vnt h ILE 250 Ca 0.33 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 2vnt h ILE 250 Cb 0.53 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2vnt h ILE 250 CO -0.61 0.10 0.11 0.03 0.00 0.00 0.00 178.15 177.78 2vnt h ARG 251 N 0.00 0.76 -0.75 2.37 2.47 -0.22 -2.52 114.38 116.49 2vnt h ARG 251 Ca 0.03 -0.19 -0.04 0.00 -1.26 0.00 0.00 59.98 58.52 2vnt h ARG 251 Cb 0.12 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.31 2vnt h ARG 251 CO -0.00 0.75 0.32 0.66 0.56 0.00 0.00 179.97 182.26 2vnt h SER 252 N 0.63 1.01 0.62 7.04 4.64 -0.66 -3.00 113.55 123.84 2vnt h SER 252 Ca 0.15 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2vnt h SER 252 Cb 0.34 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2vnt h SER 252 CO 0.00 0.89 -0.10 1.41 -0.87 0.00 0.00 176.83 178.16 2vnt n HIS 253 N -4.30 0.00 0.05 4.77 8.25 -1.15 -0.21 115.22 122.64 2vnt n HIS 253 Ca 0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.48 2vnt n HIS 253 Cb 0.17 -0.31 -0.09 0.00 1.12 0.00 0.00 29.99 30.88 2vnt n HIS 253 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2vnt h THR 254 N 0.19 1.16 0.00 1.59 2.02 -1.30 -3.41 112.91 113.16 2vnt h THR 254 Ca 0.00 -2.80 0.00 0.00 0.77 0.00 0.00 66.41 64.38 2vnt h THR 254 Cb 0.40 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 2vnt h THR 254 CO 0.00 0.66 -0.30 0.11 0.37 0.00 0.00 175.52 176.36 2vnt h LYS 255 N 0.00 0.00 0.00 6.66 1.79 -1.69 -3.49 116.57 119.84 2vnt h LYS 255 Ca -0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2vnt h LYS 255 Cb 1.73 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.38 2vnt h LYS 255 CO 0.09 0.00 0.00 -1.91 -1.08 0.00 0.00 179.45 176.55 2vnt n GLU 256 N -4.43 0.00 0.00 3.15 2.13 -1.26 -5.11 120.64 115.12 2vnt n GLU 256 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2vnt n GLU 256 Cb 0.16 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.87 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 -0.01 0.00 0.00 5.31 4.07 -1.24 -5.07 120.64 123.70 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 0.27 -0.06 0.00 0.00 177.13 177.34