#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2giv s TYR 5 N 0.00 3.38 0.03 5.64 2.02 -1.26 -4.34 117.35 122.82 2giv s TYR 5 Ca 0.00 1.26 -0.30 0.00 -0.37 0.00 0.00 57.07 57.66 2giv s TYR 5 Cb 0.00 -2.86 -0.07 0.00 -0.40 0.00 0.00 41.96 38.63 2giv s TYR 5 CO 0.00 -1.01 1.53 0.08 -1.57 0.00 0.00 175.55 174.58 2giv s VAL 6 N -3.18 3.38 0.00 0.71 1.01 -1.26 -4.02 120.40 117.03 2giv s VAL 6 Ca 0.57 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.33 2giv s VAL 6 Cb -0.12 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2giv s VAL 6 CO 0.54 -0.00 0.08 -0.90 0.00 0.00 0.00 175.10 174.82 2giv n ASP 7 N 5.53 0.17 -3.74 3.32 3.85 -0.89 -4.80 116.55 119.98 2giv n ASP 7 Ca 0.15 -0.57 -0.13 0.00 -0.71 0.00 0.00 54.79 53.52 2giv n ASP 7 Cb 0.42 0.78 -0.09 0.00 -1.35 0.00 0.00 41.12 40.88 2giv n ASP 7 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 2giv s LYS 8 N -0.78 0.60 0.11 0.11 2.20 -1.06 -0.81 119.74 120.10 2giv s LYS 8 Ca 0.00 0.08 0.06 0.00 -0.36 0.00 0.00 55.97 55.76 2giv s LYS 8 Cb 0.00 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.56 2giv s LYS 8 CO 0.00 -0.14 -0.16 0.96 -0.36 0.00 0.00 175.35 175.65 2giv s ILE 9 N -0.77 1.41 -0.21 5.43 -4.36 0.10 -2.43 121.20 120.36 2giv s ILE 9 Ca -0.09 -1.57 -0.02 0.00 -0.26 0.00 0.00 60.65 58.71 2giv s ILE 9 Cb -0.04 -1.43 0.01 0.00 1.25 0.00 0.00 42.46 42.25 2giv s ILE 9 CO 0.03 -0.26 -0.09 -2.28 0.24 0.00 0.00 174.94 172.58 2giv s HIS 10 N -1.63 2.92 -0.05 1.37 5.65 0.90 -0.65 115.29 123.81 2giv s HIS 10 Ca 0.06 -1.26 0.00 0.00 0.25 0.00 0.00 55.06 54.11 2giv s HIS 10 Cb -0.08 -2.04 0.03 0.00 -1.18 0.00 0.00 32.58 29.31 2giv s HIS 10 CO 0.03 -0.66 -0.01 -1.50 -0.65 0.00 0.00 174.74 171.95 2giv s ILE 11 N 1.40 0.36 0.00 0.89 2.07 -0.19 -0.32 121.20 125.40 2giv s ILE 11 Ca 0.05 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.32 2giv s ILE 11 Cb -0.14 -0.45 0.00 0.00 0.13 0.00 0.00 42.46 42.00 2giv s ILE 11 CO -0.06 0.21 0.00 0.61 -1.91 0.00 0.00 174.94 173.79 2giv n GLY 12 N 4.45 2.42 2.24 1.50 0.00 -1.25 -1.50 105.19 113.05 2giv n GLY 12 Ca -0.19 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 2giv n GLY 12 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2giv n ASN 13 N 5.02 5.30 -4.59 1.61 0.23 -1.26 -4.98 115.26 116.59 2giv n ASN 13 Ca 0.00 -3.75 -0.30 0.00 -0.53 0.00 0.00 54.58 50.00 2giv n ASN 13 Cb 0.00 -0.48 -0.10 0.00 -2.08 0.00 0.00 39.78 37.12 2giv n ASN 13 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 2giv s TYR 14 N -3.63 2.77 -0.05 -2.53 2.02 -0.56 -5.14 117.35 110.23 2giv s TYR 14 Ca 0.52 -0.14 0.04 0.00 -0.37 0.00 0.00 57.07 57.12 2giv s TYR 14 Cb 0.42 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 40.49 2giv s TYR 14 CO -0.06 0.42 -0.15 -1.21 -1.57 0.00 0.00 175.55 172.98 2giv s GLU 15 N -2.11 2.47 -0.04 -0.62 2.02 -1.26 -1.02 118.70 118.14 2giv s GLU 15 Ca 0.21 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.49 2giv s GLU 15 Cb -0.11 -2.35 0.03 0.00 0.10 0.00 0.00 34.13 31.79 2giv s GLU 15 CO 0.13 0.62 -0.01 0.42 0.02 0.00 0.00 175.26 176.44 2giv s ILE 16 N -0.72 0.27 0.41 -1.63 1.01 0.18 -4.96 121.20 115.76 2giv s ILE 16 Ca 0.11 0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.59 2giv s ILE 16 Cb -0.11 -0.36 -0.10 0.00 0.01 0.00 0.00 42.46 41.90 2giv s ILE 16 CO 0.00 0.18 0.97 -1.81 0.00 0.00 0.00 174.94 174.28 2giv s ASP 17 N 1.16 6.94 0.58 3.58 1.01 -1.26 -0.72 116.67 127.96 2giv s ASP 17 Ca -0.08 1.81 -0.17 0.00 0.71 0.00 0.00 52.55 54.82 2giv s ASP 17 Cb -0.13 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 2giv s ASP 17 CO -0.02 -0.36 1.07 0.00 0.21 0.00 0.00 175.17 176.07 2giv s ALA 18 N -1.94 2.72 -0.05 5.23 0.00 0.01 -4.93 121.76 122.80 2giv s ALA 18 Ca 0.59 0.48 0.10 0.00 0.00 0.00 0.00 51.96 53.13 2giv s ALA 18 Cb -0.14 -3.26 -0.16 0.00 0.00 0.00 0.00 23.12 19.57 2giv s ALA 18 CO 0.19 -0.80 0.16 0.91 0.00 0.00 0.00 175.76 176.22 2giv n TRP 19 N -1.88 0.00 -4.02 0.00 7.02 0.49 -5.02 117.44 114.04 2giv n TRP 19 Ca 0.09 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.48 2giv n TRP 19 Cb 0.53 -0.36 -0.09 0.00 -2.42 0.00 0.00 31.31 28.97 2giv n TRP 19 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 2giv s TYR 20 N -2.57 0.52 0.25 -5.99 2.02 0.02 -4.97 117.35 106.63 2giv s TYR 20 Ca -0.05 -0.93 -0.31 0.00 -0.37 0.00 0.00 57.07 55.41 2giv s TYR 20 Cb 0.06 -0.25 -0.12 0.00 -0.40 0.00 0.00 41.96 41.24 2giv s TYR 20 CO 0.45 -0.56 1.57 0.34 -1.57 0.00 0.00 175.55 175.78 2giv n PHE 21 N -0.09 2.60 -4.67 2.71 7.35 -1.26 -4.54 117.46 119.56 2giv n PHE 21 Ca -0.09 0.26 -0.24 0.00 -0.76 0.00 0.00 57.45 56.61 2giv n PHE 21 Cb 0.63 -2.57 -0.16 0.00 0.35 0.00 0.00 39.48 37.73 2giv n PHE 21 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2giv s SER 22 N 0.62 1.82 -0.74 -2.13 0.15 -1.26 -4.60 113.70 107.57 2giv s SER 22 Ca 0.69 -0.30 -0.07 0.00 0.70 0.00 0.00 55.95 56.97 2giv s SER 22 Cb -0.56 -0.56 -0.17 0.00 -1.71 0.00 0.00 66.02 63.02 2giv s SER 22 CO 0.44 0.11 3.16 -0.81 1.20 0.00 0.00 173.24 177.34 2giv n PRO 23 N 3.30 2.66 -1.75 5.44 -0.04 -1.26 -4.74 135.00 138.61 2giv n PRO 23 Ca -0.19 -1.50 -0.37 0.00 -0.04 0.00 0.00 63.50 61.40 2giv n PRO 23 Cb 0.53 -2.35 0.07 0.00 -0.04 0.00 0.00 33.50 31.71 2giv n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2giv s PHE 24 N 1.71 2.10 0.59 0.54 0.08 -1.26 -4.94 117.98 116.80 2giv s PHE 24 Ca 0.64 1.49 -0.18 0.00 0.12 0.00 0.00 56.93 59.01 2giv s PHE 24 Cb 0.24 -3.66 -0.07 0.00 -0.57 0.00 0.00 43.02 38.96 2giv s PHE 24 CO -0.03 -2.84 0.66 -2.30 -0.10 0.00 0.00 175.22 170.62 2giv n PRO 25 N -1.93 0.61 -0.30 0.24 -0.02 -1.26 -4.78 135.00 127.56 2giv n PRO 25 Ca 0.15 0.24 -0.04 0.00 -2.02 0.00 0.00 63.50 61.84 2giv n PRO 25 Cb 0.48 -1.85 0.08 0.00 -0.02 0.00 0.00 33.50 32.19 2giv n PRO 25 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2giv h GLU 26 N 0.27 1.05 0.00 -0.52 9.09 -1.96 -0.45 114.58 122.06 2giv h GLU 26 Ca -0.47 -0.06 -0.02 0.00 0.05 0.00 0.00 59.36 58.86 2giv h GLU 26 Cb 1.39 -0.24 -0.00 0.00 -1.65 0.00 0.00 28.75 28.25 2giv h GLU 26 CO 0.48 0.70 -0.10 0.38 0.05 0.00 0.00 179.01 180.52 2giv h ASP 27 N 1.08 0.00 -0.24 3.06 2.03 -1.94 0.73 116.42 121.14 2giv h ASP 27 Ca 0.30 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.56 2giv h ASP 27 Cb -0.11 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.37 2giv h ASP 27 CO -0.07 0.10 0.03 1.88 -1.03 0.00 0.00 179.24 180.14 2giv h TYR 28 N 0.00 0.53 0.00 4.15 -1.99 -1.40 -3.01 116.97 115.25 2giv h TYR 28 Ca -0.00 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.68 2giv h TYR 28 Cb 0.33 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.90 2giv h TYR 28 CO 0.00 0.51 0.57 0.41 -0.00 0.00 0.00 178.16 179.65 2giv n GLY 29 N -0.95 0.96 0.00 3.88 0.00 0.25 -3.96 105.19 105.37 2giv n GLY 29 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2giv n GLY 29 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2giv n LYS 30 N 3.87 0.00 0.04 1.61 4.81 -1.14 -4.30 118.16 123.05 2giv n LYS 30 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 2giv n LYS 30 Cb 0.00 -0.46 -0.10 0.00 0.02 0.00 0.00 35.03 34.49 2giv n LYS 30 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2giv h GLN 31 N 0.00 0.70 -7.01 1.64 4.20 -1.90 -3.43 115.11 109.30 2giv h GLN 31 Ca 0.00 -0.74 -0.53 0.00 0.06 0.00 0.00 58.65 57.44 2giv h GLN 31 Cb 0.00 0.21 0.09 0.00 0.30 0.00 0.00 27.48 28.08 2giv h GLN 31 CO 0.00 1.32 0.55 -1.25 -0.67 0.00 0.00 178.83 178.78 2giv s PRO 32 N -3.34 3.56 -0.12 1.46 0.04 -1.25 -2.61 135.00 132.74 2giv s PRO 32 Ca -0.10 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.92 2giv s PRO 32 Cb 0.07 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 2giv s PRO 32 CO 0.92 -0.78 0.30 1.63 0.04 0.00 0.00 177.00 179.11 2giv n LYS 33 N -0.59 0.00 -3.67 4.56 5.02 -1.24 -2.10 118.16 120.13 2giv n LYS 33 Ca 0.08 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.00 2giv n LYS 33 Cb 0.46 -0.16 -0.06 0.00 -0.02 0.00 0.00 35.03 35.25 2giv n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2giv s LEU 34 N 0.76 4.38 -0.25 -0.35 2.96 -1.02 -4.70 118.68 120.46 2giv s LEU 34 Ca 0.16 0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 54.68 2giv s LEU 34 Cb -0.13 -2.31 0.03 0.00 0.50 0.00 0.00 46.19 44.27 2giv s LEU 34 CO 0.06 0.31 -0.05 0.26 -1.32 0.00 0.00 176.35 175.60 2giv s TRP 35 N -0.68 3.07 -0.18 5.38 0.52 -0.62 -0.07 118.94 126.37 2giv s TRP 35 Ca 0.18 -1.53 -0.04 0.00 0.02 0.00 0.00 56.10 54.73 2giv s TRP 35 Cb -0.14 -2.07 -0.02 0.00 -1.15 0.00 0.00 33.47 30.09 2giv s TRP 35 CO 0.07 -0.72 -0.03 -0.51 0.02 0.00 0.00 176.95 175.78 2giv s LEU 36 N 1.33 3.17 0.03 2.99 1.02 0.56 -0.44 118.68 127.34 2giv s LEU 36 Ca 0.00 -0.20 -0.36 0.00 0.02 0.00 0.00 54.13 53.59 2giv s LEU 36 Cb -0.17 -1.78 -0.15 0.00 0.02 0.00 0.00 46.19 44.12 2giv s LEU 36 CO -0.04 0.11 1.58 0.00 0.02 0.00 0.00 176.35 178.01 2giv n GLU 38 N 3.99 0.08 -0.09 0.00 0.28 -1.26 0.17 120.64 123.81 2giv n GLU 38 Ca 0.20 0.12 -0.18 0.00 -0.16 0.00 0.00 57.16 57.14 2giv n GLU 38 Cb 0.23 -1.61 -0.07 0.00 1.43 0.00 0.00 31.44 31.42 2giv n GLU 38 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2giv n TYR 39 N -1.76 0.00 0.83 -1.84 4.01 -1.26 -4.45 117.16 112.70 2giv n TYR 39 Ca 0.06 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.90 2giv n TYR 39 Cb 0.33 -0.68 -0.11 0.00 -0.31 0.00 0.00 39.34 38.58 2giv n TYR 39 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2giv n LEU 41 N -1.63 -0.43 -4.73 0.00 4.77 0.13 -4.76 117.00 110.34 2giv n LEU 41 Ca 0.03 0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.81 2giv n LEU 41 Cb 0.37 -2.02 -0.01 0.00 -2.33 0.00 0.00 43.42 39.43 2giv n LEU 41 CO 0.43 -0.72 1.17 1.17 -1.33 0.00 0.00 177.39 178.11 2giv n LYS 42 N -1.78 2.55 -3.74 3.23 4.81 -1.25 -4.71 118.16 117.27 2giv n LYS 42 Ca -0.09 0.90 -0.35 0.00 -0.87 0.00 0.00 58.31 57.90 2giv n LYS 42 Cb 0.42 -2.65 -0.08 0.00 0.02 0.00 0.00 35.03 32.75 2giv n LYS 42 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2giv s TYR 43 N -0.23 3.44 0.22 5.64 -0.85 -1.26 -1.16 117.35 123.15 2giv s TYR 43 Ca 0.63 0.38 0.06 0.00 -0.52 0.00 0.00 57.07 57.62 2giv s TYR 43 Cb -0.52 -2.14 -0.05 0.00 0.38 0.00 0.00 41.96 39.62 2giv s TYR 43 CO 0.52 0.35 -0.09 -1.64 -1.52 0.00 0.00 175.55 173.17 2giv s MET 44 N 0.16 1.33 0.09 -3.49 -1.94 0.41 -4.98 119.30 110.88 2giv s MET 44 Ca 0.10 -1.62 0.21 0.00 -1.71 0.00 0.00 55.69 52.66 2giv s MET 44 Cb -0.11 -0.92 -0.13 0.00 2.01 0.00 0.00 34.83 35.68 2giv s MET 44 CO -0.01 0.07 0.81 1.63 -0.01 0.00 0.00 175.02 177.51 2giv n LYS 45 N -0.40 0.63 -4.07 2.03 5.02 -1.26 -1.59 118.16 118.52 2giv n LYS 45 Ca -0.07 0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 2giv n LYS 45 Cb 0.62 -1.73 -0.12 0.00 -0.02 0.00 0.00 35.03 33.77 2giv n LYS 45 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2giv s TYR 46 N -3.26 0.54 0.26 2.13 2.02 -1.26 -4.86 117.35 112.92 2giv s TYR 46 Ca -0.03 -0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 56.28 2giv s TYR 46 Cb 0.10 -0.33 0.49 0.00 -0.40 0.00 0.00 41.96 41.82 2giv s TYR 46 CO 0.83 -0.07 1.78 1.49 -1.57 0.00 0.00 175.55 178.01 2giv h GLU 47 N 5.01 0.69 -0.18 -0.62 4.81 -1.95 -0.03 114.58 122.30 2giv h GLU 47 Ca -0.33 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.87 2giv h GLU 47 Cb 1.20 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2giv h GLU 47 CO 0.44 0.46 0.08 0.87 -0.73 0.00 0.00 179.01 180.12 2giv h LYS 48 N 0.71 0.17 -0.05 1.92 6.56 -1.99 0.35 116.57 124.24 2giv h LYS 48 Ca 0.44 -0.01 -0.11 0.00 -1.06 0.00 0.00 60.65 59.91 2giv h LYS 48 Cb 0.55 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.15 2giv h LYS 48 CO -0.31 0.12 -0.48 0.66 -2.06 0.00 0.00 179.45 177.38 2giv h SER 49 N 0.18 0.14 0.00 0.86 4.64 -1.93 -1.15 113.55 116.29 2giv h SER 49 Ca 0.08 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2giv h SER 49 Cb 0.03 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2giv h SER 49 CO -0.06 0.60 -0.00 0.22 -0.87 0.00 0.00 176.83 176.72 2giv h TYR 50 N 0.11 -0.00 -0.58 4.77 3.20 -0.64 -0.97 116.97 122.86 2giv h TYR 50 Ca 0.00 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 2giv h TYR 50 Cb 0.88 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 2giv h TYR 50 CO 0.01 0.02 0.02 0.00 -1.64 0.00 0.00 178.16 176.57 2giv h ARG 51 N -0.02 0.99 0.16 1.82 3.08 -0.13 -1.47 114.38 118.80 2giv h ARG 51 Ca -0.00 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 2giv h ARG 51 Cb 0.02 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 2giv h ARG 51 CO 0.00 0.96 -0.11 0.35 -1.07 0.00 0.00 179.97 180.10 2giv h PHE 52 N 0.91 -0.28 -0.51 3.04 3.57 -1.10 -2.64 116.94 119.94 2giv h PHE 52 Ca 0.17 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.73 2giv h PHE 52 Cb 0.51 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 2giv h PHE 52 CO 0.03 -0.17 0.22 1.25 -2.23 0.00 0.00 178.31 177.41 2giv h HIS 53 N -0.26 0.39 -0.96 0.41 2.76 -0.83 -1.64 115.15 115.01 2giv h HIS 53 Ca -0.01 0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.32 2giv h HIS 53 Cb 0.23 -0.10 -0.09 0.00 1.55 0.00 0.00 27.41 29.00 2giv h HIS 53 CO -0.09 0.16 0.58 1.25 -1.30 0.00 0.00 177.93 178.53 2giv h LEU 54 N 0.42 0.82 -0.00 0.26 5.85 -1.19 0.88 115.31 122.35 2giv h LEU 54 Ca 0.24 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2giv h LEU 54 Cb 0.21 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2giv h LEU 54 CO -0.21 0.40 0.00 0.61 -0.34 0.00 0.00 178.44 178.91 2giv n GLY 55 N -1.34 -1.53 0.14 3.75 0.00 -0.67 -4.02 105.19 101.52 2giv n GLY 55 Ca 0.19 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 2giv n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2giv n GLN 56 N -1.63 0.48 -1.87 1.61 1.13 -0.18 -4.99 117.38 111.93 2giv n GLN 56 Ca 0.07 0.13 -0.42 0.00 -1.94 0.00 0.00 57.00 54.83 2giv n GLN 56 Cb 0.35 -1.36 -0.03 0.00 0.11 0.00 0.00 30.24 29.31 2giv n GLN 56 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2giv n GLN 58 N 3.34 1.45 -2.38 0.00 1.13 -1.26 -4.94 117.38 114.72 2giv n GLN 58 Ca 0.12 -1.05 -0.40 0.00 -1.94 0.00 0.00 57.00 53.72 2giv n GLN 58 Cb 0.38 -1.41 -0.04 0.00 0.11 0.00 0.00 30.24 29.28 2giv n GLN 58 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2giv s TRP 59 N -2.23 3.45 -0.05 1.08 0.52 -1.26 -4.92 118.94 115.52 2giv s TRP 59 Ca 0.18 1.63 0.07 0.00 0.02 0.00 0.00 56.10 58.00 2giv s TRP 59 Cb 0.17 -3.39 0.11 0.00 -1.15 0.00 0.00 33.47 29.21 2giv s TRP 59 CO 0.49 -0.88 0.99 0.54 0.02 0.00 0.00 176.95 178.10 2giv n ARG 60 N 1.11 0.94 -3.62 4.98 5.12 -1.26 -4.83 116.66 119.09 2giv n ARG 60 Ca -0.01 -1.60 -0.03 0.00 -1.93 0.00 0.00 57.85 54.29 2giv n ARG 60 Cb 0.44 -0.95 -0.01 0.00 -1.16 0.00 0.00 32.46 30.78 2giv n ARG 60 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2giv s GLN 61 N -1.23 0.58 0.92 5.56 -2.07 -1.26 -0.60 119.66 121.55 2giv s GLN 61 Ca 0.12 -0.28 -0.10 0.00 -1.82 0.00 0.00 55.36 53.27 2giv s GLN 61 Cb 0.10 0.22 0.15 0.00 -1.09 0.00 0.00 33.01 32.39 2giv s GLN 61 CO 0.01 -0.26 1.13 -2.14 -1.32 0.00 0.00 175.29 172.71 2giv s PRO 62 N -2.68 1.01 1.13 9.60 0.02 -1.26 -4.79 135.00 138.02 2giv s PRO 62 Ca 0.11 1.41 -0.18 0.00 0.02 0.00 0.00 61.00 62.36 2giv s PRO 62 Cb 0.01 -1.74 0.26 0.00 0.02 0.00 0.00 34.50 33.05 2giv s PRO 62 CO -0.04 -2.59 1.15 -1.25 -0.33 0.00 0.00 177.00 173.94 2giv s PRO 63 N -4.68 -0.64 0.68 5.54 0.04 -1.26 -4.95 135.00 129.74 2giv s PRO 63 Ca 0.66 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2giv s PRO 63 Cb -0.22 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2giv s PRO 63 CO 0.58 -3.32 0.00 0.41 0.04 0.00 0.00 177.00 174.71 2giv n GLY 64 N -1.60 -2.13 3.72 0.56 0.00 -1.26 -4.67 105.19 99.80 2giv n GLY 64 Ca 0.13 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 2giv n GLY 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2giv s LYS 65 N -0.16 4.31 -0.79 1.61 2.20 -1.03 -4.86 119.74 121.02 2giv s LYS 65 Ca 0.00 0.35 -0.25 0.00 -0.36 0.00 0.00 55.97 55.71 2giv s LYS 65 Cb 0.00 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.86 2giv s LYS 65 CO 0.00 0.15 1.80 -2.00 -0.36 0.00 0.00 175.35 174.94 2giv s GLU 66 N 0.66 2.75 0.00 4.03 2.12 -1.26 -0.87 118.70 126.13 2giv s GLU 66 Ca 0.23 -0.03 0.27 0.00 0.36 0.00 0.00 54.97 55.81 2giv s GLU 66 Cb -0.15 -4.75 0.92 0.00 0.26 0.00 0.00 34.13 30.41 2giv s GLU 66 CO 0.09 -2.89 1.67 0.44 -0.54 0.00 0.00 175.26 174.03 2giv n ILE 67 N 7.37 0.00 -3.69 -3.70 -5.35 -0.72 -4.86 119.36 108.42 2giv n ILE 67 Ca 0.28 -0.27 -0.12 0.00 -0.27 0.00 0.00 62.75 62.38 2giv n ILE 67 Cb 0.50 0.60 -0.09 0.00 -1.74 0.00 0.00 39.64 38.91 2giv n ILE 67 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2giv s TYR 68 N -2.05 -0.66 -0.22 4.28 5.04 -1.14 -0.71 117.35 121.89 2giv s TYR 68 Ca 0.35 1.50 -0.07 0.00 -2.44 0.00 0.00 57.07 56.42 2giv s TYR 68 Cb 0.21 0.28 0.11 0.00 0.35 0.00 0.00 41.96 42.90 2giv s TYR 68 CO 0.35 -0.33 0.45 0.50 -1.34 0.00 0.00 175.55 175.19 2giv s ARG 69 N 0.71 0.37 -0.14 4.97 6.06 -1.21 -1.13 118.95 128.57 2giv s ARG 69 Ca -0.03 1.03 -0.06 0.00 -2.50 0.00 0.00 55.73 54.17 2giv s ARG 69 Cb -0.05 0.32 0.06 0.00 0.06 0.00 0.00 34.95 35.35 2giv s ARG 69 CO -0.05 -0.31 0.30 0.21 -2.50 0.00 0.00 175.30 172.96 2giv s LYS 70 N 2.66 0.22 3.77 5.12 2.20 -0.44 -4.82 119.74 128.45 2giv s LYS 70 Ca 0.00 0.75 0.00 0.00 -0.36 0.00 0.00 55.97 56.36 2giv s LYS 70 Cb -0.13 0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.20 2giv s LYS 70 CO -0.14 -0.23 0.00 0.45 -0.36 0.00 0.00 175.35 175.06 2giv n SER 71 N 4.94 0.00 -2.00 1.43 2.88 -1.26 -1.54 113.62 118.07 2giv n SER 71 Ca -0.14 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.38 2giv n SER 71 Cb 0.51 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 64.31 2giv n SER 71 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2giv n ASN 72 N 2.49 5.16 -4.56 -3.46 6.94 -1.26 -4.85 115.26 115.71 2giv n ASN 72 Ca 0.00 -3.13 -0.36 0.00 -0.02 0.00 0.00 54.58 51.07 2giv n ASN 72 Cb 0.00 -0.73 -0.11 0.00 -2.36 0.00 0.00 39.78 36.58 2giv n ASN 72 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2giv s ILE 73 N -2.92 4.84 0.13 1.53 -1.09 -0.59 0.41 121.20 123.52 2giv s ILE 73 Ca 0.55 0.00 0.03 0.00 -2.23 0.00 0.00 60.65 59.00 2giv s ILE 73 Cb 0.43 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 38.01 2giv s ILE 73 CO 0.14 0.34 -0.06 -0.94 -1.23 0.00 0.00 174.94 173.20 2giv s SER 74 N 1.28 1.41 -0.11 3.58 1.04 -0.81 -1.32 113.70 118.76 2giv s SER 74 Ca 0.06 -1.05 0.02 0.00 0.48 0.00 0.00 55.95 55.46 2giv s SER 74 Cb -0.14 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.05 2giv s SER 74 CO 0.05 -0.44 -0.17 -0.69 0.98 0.00 0.00 173.24 172.97 2giv s VAL 75 N -3.52 1.61 -0.21 5.02 1.01 -0.29 -1.03 120.40 123.00 2giv s VAL 75 Ca 0.16 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 2giv s VAL 75 Cb 0.04 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 2giv s VAL 75 CO -0.01 0.46 0.12 -1.00 0.00 0.00 0.00 175.10 174.67 2giv s HIS 76 N 0.88 3.32 -0.13 5.22 3.76 0.30 -1.76 115.29 126.88 2giv s HIS 76 Ca -0.08 0.19 -0.23 0.00 -0.15 0.00 0.00 55.06 54.79 2giv s HIS 76 Cb -0.15 -2.18 -0.03 0.00 1.11 0.00 0.00 32.58 31.33 2giv s HIS 76 CO -0.00 0.15 0.72 -2.00 -0.85 0.00 0.00 174.74 172.76 2giv s GLU 77 N 0.65 4.34 -0.22 1.40 2.12 -0.05 -0.62 118.70 126.31 2giv s GLU 77 Ca 0.06 0.85 -0.03 0.00 0.36 0.00 0.00 54.97 56.22 2giv s GLU 77 Cb -0.12 -3.52 0.07 0.00 0.26 0.00 0.00 34.13 30.82 2giv s GLU 77 CO 0.01 -0.14 0.07 0.08 -0.54 0.00 0.00 175.26 174.74 2giv s VAL 78 N 1.51 0.37 -0.09 3.70 1.01 0.59 -2.47 120.40 125.01 2giv s VAL 78 Ca 0.35 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 2giv s VAL 78 Cb -0.17 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 2giv s VAL 78 CO 0.14 -0.38 1.35 -0.62 0.00 0.00 0.00 175.10 175.60 2giv s ASP 79 N 1.91 6.90 0.55 3.32 -1.08 -1.26 -0.72 116.67 126.29 2giv s ASP 79 Ca 0.03 1.90 0.32 0.00 -0.52 0.00 0.00 52.55 54.28 2giv s ASP 79 Cb -0.17 -2.55 1.60 0.00 -1.46 0.00 0.00 42.92 40.34 2giv s ASP 79 CO -0.15 -0.75 2.10 1.23 0.52 0.00 0.00 175.17 178.12 2giv h GLY 80 N 9.23 0.00 1.63 2.66 0.00 -1.47 -1.50 103.07 113.62 2giv h GLY 80 Ca -0.32 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.87 2giv h GLY 80 CO 0.94 0.00 -0.49 1.70 0.00 0.00 0.00 176.54 178.69 2giv h LYS 81 N 0.00 0.40 0.00 4.80 3.64 -1.75 -3.02 116.57 120.64 2giv h LYS 81 Ca -0.00 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2giv h LYS 81 Cb 0.33 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2giv h LYS 81 CO 0.01 0.80 -0.73 -0.44 -2.27 0.00 0.00 179.45 176.82 2giv h ASP 82 N 0.32 0.00 -1.45 4.20 3.32 -1.70 -3.39 116.42 117.72 2giv h ASP 82 Ca 0.02 -0.17 -0.42 0.00 0.02 0.00 0.00 57.03 56.47 2giv h ASP 82 Cb 0.97 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.12 2giv h ASP 82 CO 0.08 0.09 -1.16 1.41 -1.72 0.00 0.00 179.24 177.94 2giv n HIS 83 N -2.25 0.98 -0.16 4.55 8.25 -0.79 -4.98 115.22 120.82 2giv n HIS 83 Ca 0.02 -3.24 -0.03 0.00 -0.26 0.00 0.00 57.72 54.21 2giv n HIS 83 Cb 0.47 -0.39 0.03 0.00 1.12 0.00 0.00 29.99 31.23 2giv n HIS 83 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2giv h LYS 84 N 2.98 -0.02 -0.08 -0.41 3.64 -1.73 -1.13 116.57 119.82 2giv h LYS 84 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2giv h LYS 84 Cb 1.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2giv h LYS 84 CO 0.53 -0.01 -0.01 0.82 -2.27 0.00 0.00 179.45 178.51 2giv h ILE 85 N -0.02 1.27 -0.28 2.00 1.08 -1.94 0.23 117.51 119.86 2giv h ILE 85 Ca 0.24 -0.85 0.06 0.00 -0.39 0.00 0.00 64.86 63.92 2giv h ILE 85 Cb 0.39 1.68 -0.06 0.00 -3.07 0.00 0.00 36.82 35.76 2giv h ILE 85 CO -0.53 0.24 -0.11 0.22 -0.69 0.00 0.00 178.15 177.28 2giv h TYR 86 N -0.16 -0.25 -0.76 1.37 3.20 -1.76 0.74 116.97 119.34 2giv h TYR 86 Ca 0.02 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 2giv h TYR 86 Cb 0.38 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 2giv h TYR 86 CO 0.04 -0.17 0.28 0.00 -1.64 0.00 0.00 178.16 176.67 2giv h GLN 88 N 1.11 1.21 -0.49 0.00 4.20 0.21 -1.60 115.11 119.76 2giv h GLN 88 Ca 0.25 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 2giv h GLN 88 Cb 0.25 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2giv h GLN 88 CO -0.02 0.91 0.29 -0.91 -0.67 0.00 0.00 178.83 178.44 2giv h ASN 89 N 1.20 0.59 -0.37 1.46 2.35 -0.12 -2.36 115.58 118.32 2giv h ASN 89 Ca 0.30 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 2giv h ASN 89 Cb 0.08 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2giv h ASN 89 CO -0.04 0.47 0.24 0.25 -1.65 0.00 0.00 177.43 176.70 2giv h LEU 90 N 0.65 0.41 -1.29 1.61 5.85 -0.79 -1.51 115.31 120.23 2giv h LEU 90 Ca 0.17 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2giv h LEU 90 Cb -0.00 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2giv h LEU 90 CO -0.03 0.29 -0.00 0.00 -0.34 0.00 0.00 178.44 178.36 2giv h LEU 92 N 0.46 0.72 0.10 0.00 3.38 -1.22 -1.89 115.31 116.87 2giv h LEU 92 Ca 0.10 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.69 2giv h LEU 92 Cb 0.30 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2giv h LEU 92 CO 0.01 0.96 -0.22 0.25 0.09 0.00 0.00 178.44 179.54 2giv h LEU 93 N 0.48 -0.61 -1.26 1.67 5.85 -0.88 -3.14 115.31 117.43 2giv h LEU 93 Ca 0.08 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2giv h LEU 93 Cb 0.69 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 2giv h LEU 93 CO 0.05 -0.30 0.30 0.00 -0.34 0.00 0.00 178.44 178.15 2giv h ALA 94 N 0.40 1.43 0.00 1.25 0.00 -0.80 -2.04 119.26 119.50 2giv h ALA 94 Ca 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2giv h ALA 94 Cb 0.43 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2giv h ALA 94 CO -0.13 0.46 -0.00 -0.22 0.00 0.00 0.00 179.25 179.36 2giv h LYS 95 N 0.82 0.00 0.00 0.00 1.63 -1.29 0.32 116.57 118.05 2giv h LYS 95 Ca 0.21 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 2giv h LYS 95 Cb 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 2giv h LYS 95 CO -0.03 0.00 0.00 -0.07 -3.45 0.00 0.00 179.45 175.90 2giv h LEU 96 N 0.00 0.00 -2.05 5.20 3.38 -1.39 -3.10 115.31 117.34 2giv h LEU 96 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2giv h LEU 96 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2giv h LEU 96 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 2giv n PHE 97 N -2.78 0.00 -4.65 1.13 3.72 0.07 -0.38 117.46 114.57 2giv n PHE 97 Ca -0.01 -0.28 -0.24 0.00 -0.05 0.00 0.00 57.45 56.87 2giv n PHE 97 Cb 0.16 -0.03 -0.16 0.00 -0.94 0.00 0.00 39.48 38.51 2giv n PHE 97 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2giv s LEU 98 N -0.55 1.80 0.30 4.37 1.43 -0.98 -4.94 118.68 120.11 2giv s LEU 98 Ca 0.00 -0.30 0.15 0.00 -1.03 0.00 0.00 54.13 52.95 2giv s LEU 98 Cb 0.00 -0.83 0.37 0.00 0.03 0.00 0.00 46.19 45.76 2giv s LEU 98 CO 0.00 0.09 1.58 -0.78 0.23 0.00 0.00 176.35 177.48 2giv h ASP 99 N 6.51 0.00 -5.48 2.29 3.58 -1.92 -3.45 116.42 117.95 2giv h ASP 99 Ca -0.32 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 56.89 2giv h ASP 99 Cb 1.18 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.14 2giv h ASP 99 CO 0.48 0.52 -0.20 -1.38 -2.88 0.00 0.00 179.24 175.78 2giv s HIS 100 N -3.33 0.96 0.73 0.28 -3.43 -1.26 -5.02 115.29 104.22 2giv s HIS 100 Ca 0.01 -1.22 -0.11 0.00 -0.80 0.00 0.00 55.06 52.94 2giv s HIS 100 Cb 0.10 -0.06 0.03 0.00 -1.43 0.00 0.00 32.58 31.21 2giv s HIS 100 CO 0.73 -1.09 1.07 0.95 -2.00 0.00 0.00 174.74 174.40 2giv s THR 102 N -3.24 3.69 0.20 -5.38 -4.23 -1.26 -5.06 115.64 100.35 2giv s THR 102 Ca 0.30 0.55 -0.33 0.00 -1.18 0.00 0.00 61.69 61.03 2giv s THR 102 Cb -0.00 -3.33 -0.14 0.00 1.34 0.00 0.00 72.50 70.36 2giv s THR 102 CO 0.18 -0.72 1.37 0.18 -0.54 0.00 0.00 174.62 175.09 2giv n LEU 103 N -3.20 2.56 0.21 4.79 4.77 -1.26 -4.87 117.00 120.00 2giv n LEU 103 Ca 0.07 1.13 0.06 0.00 -0.03 0.00 0.00 56.01 57.25 2giv n LEU 103 Cb 0.55 -1.35 0.48 0.00 -2.33 0.00 0.00 43.42 40.76 2giv n LEU 103 CO 0.56 -0.72 0.81 0.10 -1.33 0.00 0.00 177.39 176.81 2giv h TYR 104 N 4.30 0.00 0.00 -1.77 -0.00 -1.94 -2.68 116.97 114.87 2giv h TYR 104 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 2giv h TYR 104 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.02 2giv h TYR 104 CO 0.57 0.28 -0.33 0.27 -0.00 0.00 0.00 178.16 178.95 2giv h PHE 105 N 0.00 0.00 -1.76 0.10 -5.15 -1.90 -3.40 116.94 104.83 2giv h PHE 105 Ca -0.00 0.00 -0.76 0.00 -0.20 0.00 0.00 57.97 57.01 2giv h PHE 105 Cb 0.58 0.00 -0.18 0.00 0.22 0.00 0.00 35.95 36.57 2giv h PHE 105 CO 0.00 0.00 1.72 -3.47 -2.00 0.00 0.00 178.31 174.56 2giv n ASP 106 N -2.72 5.29 0.00 -0.68 2.03 -1.01 -4.67 116.55 114.80 2giv n ASP 106 Ca 0.03 -3.13 0.11 0.00 0.52 0.00 0.00 54.79 52.32 2giv n ASP 106 Cb 0.51 -1.46 -0.09 0.00 -0.72 0.00 0.00 41.12 39.35 2giv n ASP 106 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2giv n VAL 107 N 3.26 0.05 0.04 5.18 0.24 -1.26 -4.48 118.33 121.36 2giv n VAL 107 Ca 0.37 -0.23 0.02 0.00 -2.04 0.00 0.00 64.34 62.46 2giv n VAL 107 Cb 0.37 0.45 0.38 0.00 -1.47 0.00 0.00 33.84 33.57 2giv n VAL 107 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2giv h GLU 108 N 0.00 0.44 0.00 7.34 9.09 -1.83 -1.10 114.58 128.52 2giv h GLU 108 Ca 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 59.36 59.34 2giv h GLU 108 Cb 0.73 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 2giv h GLU 108 CO 0.00 0.42 0.00 -2.30 0.05 0.00 0.00 179.01 177.18 2giv n PRO 109 N -4.36 0.43 -4.40 1.06 -0.02 -1.26 -4.17 135.00 122.27 2giv n PRO 109 Ca 0.01 0.01 -0.25 0.00 -2.02 0.00 0.00 63.50 61.25 2giv n PRO 109 Cb 0.18 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.04 2giv n PRO 109 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2giv s PHE 110 N -2.03 2.16 0.04 6.00 0.08 -0.41 -0.80 117.98 123.02 2giv s PHE 110 Ca 0.21 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.94 2giv s PHE 110 Cb 0.10 -1.05 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 2giv s PHE 110 CO 0.17 0.48 -0.16 0.54 -0.10 0.00 0.00 175.22 176.14 2giv s VAL 111 N -1.90 2.91 -0.06 -0.44 0.11 -0.01 -1.68 120.40 119.33 2giv s VAL 111 Ca 0.21 -1.16 0.06 0.00 -2.93 0.00 0.00 61.98 58.15 2giv s VAL 111 Cb -0.07 -2.24 -0.01 0.00 -1.53 0.00 0.00 36.38 32.53 2giv s VAL 111 CO 0.10 0.32 -0.25 -0.36 -3.33 0.00 0.00 175.10 171.58 2giv s PHE 112 N -0.96 2.42 -0.28 1.54 0.08 0.10 -1.03 117.98 119.86 2giv s PHE 112 Ca 0.15 -0.76 -0.03 0.00 0.12 0.00 0.00 56.93 56.42 2giv s PHE 112 Cb -0.11 -1.59 0.03 0.00 -0.57 0.00 0.00 43.02 40.78 2giv s PHE 112 CO 0.06 -0.24 -0.00 0.71 -0.10 0.00 0.00 175.22 175.65 2giv s TYR 113 N -0.09 3.15 -0.24 0.36 2.02 0.53 -0.30 117.35 122.78 2giv s TYR 113 Ca -0.06 -1.51 -0.08 0.00 -0.37 0.00 0.00 57.07 55.05 2giv s TYR 113 Cb -0.14 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 2giv s TYR 113 CO 0.04 -0.72 0.09 0.42 -1.57 0.00 0.00 175.55 173.81 2giv s ILE 114 N 1.35 4.59 -0.16 2.71 -1.09 0.21 -1.50 121.20 127.31 2giv s ILE 114 Ca -0.01 -0.08 -0.13 0.00 -2.23 0.00 0.00 60.65 58.20 2giv s ILE 114 Cb -0.18 -3.14 -0.05 0.00 -1.58 0.00 0.00 42.46 37.52 2giv s ILE 114 CO -0.02 0.35 0.27 -0.22 -1.23 0.00 0.00 174.94 174.09 2giv s LEU 115 N 1.36 4.25 0.05 2.97 2.96 -0.49 -0.54 118.68 129.26 2giv s LEU 115 Ca 0.06 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 2giv s LEU 115 Cb -0.15 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 44.19 2giv s LEU 115 CO 0.04 0.13 -0.07 0.42 -1.32 0.00 0.00 176.35 175.55 2giv s THR 116 N 0.34 0.56 -0.18 3.68 -4.23 -0.20 -0.07 115.64 115.54 2giv s THR 116 Ca 0.15 -1.25 -0.08 0.00 -1.18 0.00 0.00 61.69 59.33 2giv s THR 116 Cb -0.13 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 2giv s THR 116 CO 0.03 -0.48 0.10 -1.61 -0.54 0.00 0.00 174.62 172.12 2giv s GLU 117 N -2.03 3.95 -0.15 3.99 2.02 -0.46 -1.93 118.70 124.08 2giv s GLU 117 Ca -0.06 -0.26 -0.05 0.00 0.02 0.00 0.00 54.97 54.63 2giv s GLU 117 Cb -0.07 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.84 2giv s GLU 117 CO -0.01 0.38 0.01 0.08 0.02 0.00 0.00 175.26 175.75 2giv s VAL 118 N 0.09 4.37 0.00 2.63 1.01 0.17 -1.02 120.40 127.65 2giv s VAL 118 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2giv s VAL 118 Cb -0.12 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.34 2giv s VAL 118 CO -0.00 0.50 0.00 -0.90 0.00 0.00 0.00 175.10 174.70 2giv n ASP 119 N 3.24 0.63 -0.24 3.32 5.68 -0.78 -4.77 116.55 123.64 2giv n ASP 119 Ca -0.17 -0.85 0.12 0.00 -0.50 0.00 0.00 54.79 53.39 2giv n ASP 119 Cb 0.53 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 40.91 2giv n ASP 119 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2giv h ARG 120 N 0.00 0.61 -0.15 0.11 -0.00 -2.04 -2.74 114.38 110.17 2giv h ARG 120 Ca 0.00 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.98 59.27 2giv h ARG 120 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 29.97 29.83 2giv h ARG 120 CO 0.00 0.41 -0.62 1.96 0.00 0.00 0.00 179.97 181.72 2giv h GLN 121 N 0.63 0.53 0.00 0.04 1.08 -1.99 -3.50 115.11 111.90 2giv h GLN 121 Ca 0.42 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2giv h GLN 121 Cb 0.71 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 2giv h GLN 121 CO -0.17 0.98 0.00 0.41 -0.95 0.00 0.00 178.83 179.10 2giv n GLY 122 N 0.37 -0.58 3.39 3.46 0.00 -1.03 -4.97 105.19 105.84 2giv n GLY 122 Ca -0.04 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 2giv n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2giv s ALA 123 N -1.00 3.26 -0.27 4.61 0.00 0.23 -1.87 121.76 126.73 2giv s ALA 123 Ca 0.00 -1.59 -0.13 0.00 0.00 0.00 0.00 51.96 50.23 2giv s ALA 123 Cb 0.00 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 2giv s ALA 123 CO 0.00 -1.20 0.30 -1.01 0.00 0.00 0.00 175.76 173.85 2giv s HIS 124 N 1.57 3.25 0.14 0.00 3.76 -0.19 -4.49 115.29 119.34 2giv s HIS 124 Ca 0.03 0.31 -0.31 0.00 -0.15 0.00 0.00 55.06 54.94 2giv s HIS 124 Cb -0.18 -2.48 -0.10 0.00 1.11 0.00 0.00 32.58 30.93 2giv s HIS 124 CO 0.06 -0.17 1.61 -1.50 -0.85 0.00 0.00 174.74 173.89 2giv s ILE 125 N 1.85 2.68 -0.25 0.60 2.07 -1.26 -1.35 121.20 125.54 2giv s ILE 125 Ca 0.12 0.40 -0.00 0.00 -1.41 0.00 0.00 60.65 59.76 2giv s ILE 125 Cb -0.16 -3.26 -0.15 0.00 0.13 0.00 0.00 42.46 39.02 2giv s ILE 125 CO 0.10 0.02 -0.23 0.52 -1.91 0.00 0.00 174.94 173.44 2giv n VAL 126 N 4.20 1.40 -3.96 4.00 0.31 0.90 -4.92 118.33 120.26 2giv n VAL 126 Ca 0.15 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 2giv n VAL 126 Cb 0.39 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 2giv n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2giv n GLY 127 N 2.19 0.45 3.60 2.92 0.00 -1.13 -1.32 105.19 111.89 2giv n GLY 127 Ca -0.44 -0.82 -0.07 0.00 0.00 0.00 0.00 46.02 44.69 2giv n GLY 127 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2giv s TYR 128 N -2.29 -0.29 0.09 1.61 -0.85 -0.60 -1.39 117.35 113.64 2giv s TYR 128 Ca 0.01 0.07 0.05 0.00 -0.52 0.00 0.00 57.07 56.68 2giv s TYR 128 Cb -0.00 0.58 -0.03 0.00 0.38 0.00 0.00 41.96 42.89 2giv s TYR 128 CO -0.00 -0.71 -0.14 -0.59 -1.52 0.00 0.00 175.55 172.59 2giv s PHE 129 N -3.29 1.29 0.19 -3.49 -0.12 -0.56 -1.58 117.98 110.42 2giv s PHE 129 Ca 0.07 -0.51 0.06 0.00 -0.05 0.00 0.00 56.93 56.50 2giv s PHE 129 Cb -0.01 -0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 41.64 2giv s PHE 129 CO -0.05 0.09 0.13 -1.54 -0.05 0.00 0.00 175.22 173.80 2giv s SER 130 N -2.07 5.41 -0.05 1.98 1.04 -0.05 -0.35 113.70 119.62 2giv s SER 130 Ca 0.03 -0.20 -0.02 0.00 0.48 0.00 0.00 55.95 56.24 2giv s SER 130 Cb -0.07 -1.37 0.04 0.00 0.10 0.00 0.00 66.02 64.71 2giv s SER 130 CO 0.02 0.05 0.10 -0.75 0.98 0.00 0.00 173.24 173.64 2giv s LYS 131 N -3.25 -0.00 0.17 4.02 2.20 -0.19 0.11 119.74 122.79 2giv s LYS 131 Ca 0.31 0.37 -0.32 0.00 -0.36 0.00 0.00 55.97 55.97 2giv s LYS 131 Cb -0.09 -0.31 -0.12 0.00 -1.51 0.00 0.00 37.83 35.80 2giv s LYS 131 CO 0.23 -0.24 1.75 0.39 -0.36 0.00 0.00 175.35 177.12 2giv n GLU 132 N 4.76 2.69 -0.25 4.03 1.02 -1.26 -0.82 120.64 130.81 2giv n GLU 132 Ca -0.16 0.97 0.04 0.00 -0.02 0.00 0.00 57.16 58.00 2giv n GLU 132 Cb 0.50 -2.83 0.17 0.00 -0.02 0.00 0.00 31.44 29.26 2giv n GLU 132 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2giv h LYS 133 N 7.33 0.46 -4.25 3.49 1.57 -1.30 -3.37 116.57 120.50 2giv h LYS 133 Ca -0.45 -0.03 -0.60 0.00 -1.87 0.00 0.00 60.65 57.71 2giv h LYS 133 Cb 1.22 -0.10 -0.38 0.00 0.08 0.00 0.00 32.23 33.04 2giv h LYS 133 CO 0.95 0.30 -0.78 -1.21 -0.57 0.00 0.00 179.45 178.13 2giv s GLU 134 N -6.04 1.51 -0.38 3.15 0.41 -1.26 -5.10 118.70 110.99 2giv s GLU 134 Ca -0.12 -0.89 -0.17 0.00 -0.41 0.00 0.00 54.97 53.37 2giv s GLU 134 Cb 0.20 -2.50 0.00 0.00 -1.78 0.00 0.00 34.13 30.05 2giv s GLU 134 CO 0.76 -0.59 0.45 0.45 -0.49 0.00 0.00 175.26 175.84 2giv s SER 135 N 1.46 6.23 0.51 -0.19 0.15 -1.26 -4.95 113.70 115.65 2giv s SER 135 Ca -0.05 -0.33 0.20 0.00 0.70 0.00 0.00 55.95 56.47 2giv s SER 135 Cb -0.18 -2.23 1.29 0.00 -1.71 0.00 0.00 66.02 63.18 2giv s SER 135 CO -0.07 -0.49 2.04 1.55 1.20 0.00 0.00 173.24 177.47 2giv h PRO 136 N 8.58 0.08 -0.59 5.44 0.13 -1.98 -2.61 132.00 141.04 2giv h PRO 136 Ca -0.28 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2giv h PRO 136 Cb 1.12 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2giv h PRO 136 CO 0.76 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.34 2giv n ASP 137 N -4.44 3.24 -0.81 1.44 8.00 -1.26 -4.96 116.55 117.76 2giv n ASP 137 Ca 0.06 -1.99 -0.08 0.00 0.71 0.00 0.00 54.79 53.49 2giv n ASP 137 Cb 0.41 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 41.10 2giv n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2giv n GLY 138 N 1.47 0.38 3.70 0.44 0.00 -0.99 -4.93 105.19 105.26 2giv n GLY 138 Ca 0.20 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 2giv n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2giv s ASN 139 N -2.74 7.28 0.00 1.61 0.01 -1.26 -2.82 114.94 117.02 2giv s ASN 139 Ca 0.00 1.61 0.24 0.00 -0.71 0.00 0.00 52.86 54.00 2giv s ASN 139 Cb 0.00 -2.56 0.24 0.00 0.41 0.00 0.00 41.25 39.34 2giv s ASN 139 CO 0.00 -0.38 1.29 -0.46 -1.51 0.00 0.00 177.10 176.04 2giv n ASN 140 N 4.55 2.95 -3.78 -1.22 6.94 -0.48 -4.70 115.26 119.52 2giv n ASN 140 Ca 0.08 -1.98 -0.13 0.00 -0.02 0.00 0.00 54.58 52.53 2giv n ASN 140 Cb 0.49 -0.01 -0.13 0.00 -2.36 0.00 0.00 39.78 37.77 2giv n ASN 140 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2giv s VAL 141 N -1.98 -0.02 -0.20 3.53 1.01 -1.26 -4.79 120.40 116.69 2giv s VAL 141 Ca 0.29 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 2giv s VAL 141 Cb 0.20 -0.26 -0.10 0.00 0.00 0.00 0.00 36.38 36.22 2giv s VAL 141 CO 0.30 0.03 -0.14 0.00 0.00 0.00 0.00 175.10 175.29 2giv n ALA 142 N 3.51 0.80 -2.78 5.51 0.00 0.30 -1.29 120.51 126.57 2giv n ALA 142 Ca -0.18 -0.67 -0.15 0.00 0.00 0.00 0.00 53.44 52.43 2giv n ALA 142 Cb 0.56 -0.12 -0.13 0.00 0.00 0.00 0.00 19.45 19.76 2giv n ALA 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2giv s ILE 144 N -0.60 1.00 -0.15 0.00 2.07 -1.26 -0.87 121.20 121.39 2giv s ILE 144 Ca -0.02 -0.55 -0.11 0.00 -1.41 0.00 0.00 60.65 58.56 2giv s ILE 144 Cb -0.05 -0.84 0.05 0.00 0.13 0.00 0.00 42.46 41.75 2giv s ILE 144 CO 0.00 0.27 0.39 -0.22 -1.91 0.00 0.00 174.94 173.47 2giv s LEU 145 N -0.32 0.21 -0.16 8.50 2.96 -0.61 -5.02 118.68 124.23 2giv s LEU 145 Ca 0.05 0.82 -0.03 0.00 -0.22 0.00 0.00 54.13 54.75 2giv s LEU 145 Cb -0.05 1.30 -0.02 0.00 0.50 0.00 0.00 46.19 47.93 2giv s LEU 145 CO -0.00 -0.17 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.91 2giv s THR 146 N 0.85 3.53 0.34 3.68 2.01 -1.26 -1.55 115.64 123.24 2giv s THR 146 Ca -0.05 -0.48 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 2giv s THR 146 Cb -0.06 -2.55 -0.11 0.00 0.01 0.00 0.00 72.50 69.79 2giv s THR 146 CO -0.06 0.48 1.53 -0.76 -0.69 0.00 0.00 174.62 175.12 2giv s LEU 147 N 0.64 4.33 0.28 4.42 1.43 -0.44 -4.74 118.68 124.60 2giv s LEU 147 Ca -0.04 3.01 -0.02 0.00 -1.03 0.00 0.00 54.13 56.05 2giv s LEU 147 Cb -0.15 -3.66 0.61 0.00 0.03 0.00 0.00 46.19 43.02 2giv s LEU 147 CO 0.02 -0.89 1.60 -0.65 0.23 0.00 0.00 176.35 176.66 2giv h PRO 148 N 3.71 0.06 0.00 1.29 0.11 -1.98 0.97 132.00 136.15 2giv h PRO 148 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2giv h PRO 148 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2giv h PRO 148 CO 0.70 0.04 0.00 -0.35 -0.21 0.00 0.00 178.00 178.18 2giv n PRO 149 N -5.43 0.08 -0.05 1.05 -0.04 -1.26 -1.44 135.00 127.91 2giv n PRO 149 Ca 0.19 0.58 0.06 0.00 -0.04 0.00 0.00 63.50 64.29 2giv n PRO 149 Cb 0.62 -1.77 0.08 0.00 -0.04 0.00 0.00 33.50 32.40 2giv n PRO 149 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2giv n TYR 150 N -1.93 0.13 -1.27 0.54 4.01 0.33 -5.04 117.16 113.93 2giv n TYR 150 Ca -0.01 -0.13 -0.31 0.00 -0.16 0.00 0.00 57.90 57.30 2giv n TYR 150 Cb 0.02 -0.01 0.10 0.00 -0.31 0.00 0.00 39.34 39.15 2giv n TYR 150 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2giv s GLN 151 N -1.01 1.99 -1.36 -0.72 -0.21 -0.52 -4.01 119.66 113.82 2giv s GLN 151 Ca 0.17 1.04 -0.07 0.00 0.02 0.00 0.00 55.36 56.52 2giv s GLN 151 Cb 0.11 -1.88 0.02 0.00 1.00 0.00 0.00 33.01 32.27 2giv s GLN 151 CO 0.16 -1.79 1.01 0.54 -2.12 0.00 0.00 175.29 173.08 2giv n ARG 152 N -3.61 -6.54 0.00 2.91 1.74 -1.26 -4.89 116.66 105.00 2giv n ARG 152 Ca 0.08 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.90 2giv n ARG 152 Cb 0.54 -5.66 0.00 0.00 -1.02 0.00 0.00 32.46 26.32 2giv n ARG 152 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2giv n ARG 153 N -4.60 -0.06 0.00 5.56 5.12 -1.26 -5.01 116.66 116.41 2giv n ARG 153 Ca -0.11 -0.23 0.00 0.00 -1.93 0.00 0.00 57.85 55.59 2giv n ARG 153 Cb 0.60 -0.61 0.00 0.00 -1.16 0.00 0.00 32.46 31.29 2giv n ARG 153 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2giv n GLY 154 N -0.02 0.12 0.36 -0.13 0.00 -1.26 -4.79 105.19 99.47 2giv n GLY 154 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2giv n GLY 154 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2giv h TYR 155 N 0.00 1.17 -0.46 1.61 0.05 -1.94 -1.47 116.97 115.94 2giv h TYR 155 Ca 0.00 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 2giv h TYR 155 Cb 0.00 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.34 2giv h TYR 155 CO 0.00 0.80 0.14 0.78 -1.05 0.00 0.00 178.16 178.83 2giv h GLY 156 N 1.22 0.78 1.74 3.88 0.00 -1.93 -2.07 103.07 106.68 2giv h GLY 156 Ca 0.31 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 2giv h GLY 156 CO -0.05 0.44 -0.48 0.50 0.00 0.00 0.00 176.54 176.95 2giv h LYS 157 N 0.61 0.29 0.02 4.80 1.57 -1.88 -1.65 116.57 120.34 2giv h LYS 157 Ca 0.15 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2giv h LYS 157 Cb 0.28 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2giv h LYS 157 CO -0.00 0.70 -0.17 0.35 -0.57 0.00 0.00 179.45 179.76 2giv h PHE 158 N 0.23 -0.45 -0.55 -1.35 3.57 -1.01 -1.05 116.94 116.33 2giv h PHE 158 Ca 0.01 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.57 2giv h PHE 158 Cb 0.93 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 2giv h PHE 158 CO 0.02 -0.25 0.31 -0.07 -2.23 0.00 0.00 178.31 176.08 2giv h LEU 159 N -0.30 0.47 -0.06 0.59 3.38 -1.22 -0.15 115.31 118.02 2giv h LEU 159 Ca 0.05 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2giv h LEU 159 Cb 0.35 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2giv h LEU 159 CO -0.15 0.32 -0.06 0.40 0.09 0.00 0.00 178.44 179.04 2giv h ILE 160 N 0.59 0.81 -0.81 1.22 2.04 -1.23 -0.66 117.51 119.48 2giv h ILE 160 Ca 0.24 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.20 2giv h ILE 160 Cb 0.10 0.81 -0.08 0.00 -0.74 0.00 0.00 36.82 36.92 2giv h ILE 160 CO -0.14 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.46 2giv h ALA 161 N 0.96 1.16 -0.50 1.87 0.00 -0.86 -2.13 119.26 119.77 2giv h ALA 161 Ca 0.05 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2giv h ALA 161 Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2giv h ALA 161 CO -0.11 0.05 -0.12 0.35 0.00 0.00 0.00 179.25 179.41 2giv h PHE 162 N 0.73 1.07 -0.47 0.00 3.57 -0.70 0.14 116.94 121.29 2giv h PHE 162 Ca 0.40 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2giv h PHE 162 Cb 0.41 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2giv h PHE 162 CO -0.07 1.03 0.25 0.66 -2.23 0.00 0.00 178.31 177.95 2giv h SER 163 N 0.81 0.56 1.24 0.41 4.64 -0.67 -1.40 113.55 119.15 2giv h SER 163 Ca 0.13 -0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 61.30 2giv h SER 163 Cb 0.68 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 2giv h SER 163 CO 0.05 0.46 -0.52 1.88 -0.87 0.00 0.00 176.83 177.83 2giv h TYR 164 N 0.65 0.00 -0.65 4.77 -1.99 -0.72 -2.44 116.97 116.59 2giv h TYR 164 Ca 0.17 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.81 2giv h TYR 164 Cb 0.02 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.73 2giv h TYR 164 CO 0.00 0.52 0.07 0.93 -0.00 0.00 0.00 178.16 179.69 2giv h GLU 165 N 0.00 1.10 -0.56 4.88 4.39 0.10 -1.66 114.58 122.83 2giv h GLU 165 Ca -0.01 -0.31 -0.05 0.00 0.34 0.00 0.00 59.36 59.33 2giv h GLU 165 Cb 1.28 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 2giv h GLU 165 CO 0.07 1.02 0.14 -0.07 -1.16 0.00 0.00 179.01 179.00 2giv h LEU 166 N 1.02 0.85 -1.18 1.33 3.38 -1.20 -2.28 115.31 117.23 2giv h LEU 166 Ca 0.19 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2giv h LEU 166 Cb 0.48 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2giv h LEU 166 CO 0.02 0.86 0.56 0.28 0.09 0.00 0.00 178.44 180.25 2giv h SER 167 N 0.80 0.96 -0.03 -0.43 0.02 -1.28 -2.25 113.55 111.34 2giv h SER 167 Ca 0.18 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2giv h SER 167 Cb 0.35 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 2giv h SER 167 CO 0.00 0.69 -0.00 0.11 -1.14 0.00 0.00 176.83 176.49 2giv h LYS 168 N 1.13 0.05 -0.23 3.45 1.57 -1.05 0.88 116.57 122.37 2giv h LYS 168 Ca 0.31 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.14 2giv h LYS 168 Cb -0.11 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2giv h LYS 168 CO -0.07 0.36 0.23 -0.07 -0.57 0.00 0.00 179.45 179.33 2giv h LEU 169 N -0.27 0.00 -1.62 2.94 3.38 -1.30 0.36 115.31 118.79 2giv h LEU 169 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2giv h LEU 169 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2giv h LEU 169 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 2giv n GLU 170 N -3.94 2.06 -3.74 1.13 1.02 -0.86 -4.55 120.64 111.77 2giv n GLU 170 Ca 0.03 -1.60 -0.24 0.00 -0.02 0.00 0.00 57.16 55.33 2giv n GLU 170 Cb 0.37 -1.44 0.04 0.00 -0.02 0.00 0.00 31.44 30.38 2giv n GLU 170 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2giv n SER 171 N 0.83 -2.64 -3.96 1.62 7.64 0.13 -4.98 113.62 112.27 2giv n SER 171 Ca 0.17 -0.78 -0.09 0.00 1.01 0.00 0.00 58.87 59.18 2giv n SER 171 Cb 0.45 -4.15 -0.11 0.00 -1.01 0.00 0.00 64.21 59.40 2giv n SER 171 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2giv s THR 172 N -3.52 0.10 0.44 0.44 -1.32 0.23 -5.03 115.64 106.98 2giv s THR 172 Ca 0.24 -0.85 -0.15 0.00 -1.21 0.00 0.00 61.69 59.71 2giv s THR 172 Cb -0.12 -0.29 -0.08 0.00 -1.51 0.00 0.00 72.50 70.50 2giv s THR 172 CO 0.81 -0.47 0.88 0.68 -2.21 0.00 0.00 174.62 174.31 2giv s VAL 173 N -1.42 4.60 0.21 5.08 -7.23 -1.26 -4.20 120.40 116.18 2giv s VAL 173 Ca -0.15 1.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.97 2giv s VAL 173 Cb -0.09 -3.68 -0.01 0.00 0.56 0.00 0.00 36.38 33.16 2giv s VAL 173 CO -0.00 -0.49 0.38 -0.83 -0.31 0.00 0.00 175.10 173.84 2giv s GLY 174 N -2.80 0.52 0.03 2.32 0.00 -0.02 -4.95 107.32 102.42 2giv s GLY 174 Ca 0.57 -0.87 -0.04 0.00 0.00 0.00 0.00 44.72 44.37 2giv s GLY 174 CO 0.26 -0.72 0.07 -0.45 0.00 0.00 0.00 173.10 172.25 2giv s SER 175 N -2.99 0.18 0.52 1.64 0.15 -1.13 -3.78 113.70 108.29 2giv s SER 175 Ca 0.20 -0.48 -0.21 0.00 0.70 0.00 0.00 55.95 56.17 2giv s SER 175 Cb 0.01 0.19 -0.06 0.00 -1.71 0.00 0.00 66.02 64.46 2giv s SER 175 CO 0.05 -0.43 1.18 -2.16 1.20 0.00 0.00 173.24 173.08 2giv s PRO 176 N -2.13 3.39 0.21 5.44 0.04 -1.26 -1.38 135.00 139.31 2giv s PRO 176 Ca -0.09 1.78 -0.32 0.00 0.04 0.00 0.00 61.00 62.41 2giv s PRO 176 Cb -0.04 -2.16 -0.14 0.00 0.04 0.00 0.00 34.50 32.20 2giv s PRO 176 CO -0.03 -0.86 1.39 -1.91 0.04 0.00 0.00 177.00 175.64 2giv n GLU 177 N -1.04 1.86 -3.58 4.56 2.13 -0.41 -4.92 120.64 119.24 2giv n GLU 177 Ca 0.10 0.66 -0.34 0.00 0.66 0.00 0.00 57.16 58.25 2giv n GLU 177 Cb 0.49 -2.31 -0.05 0.00 0.27 0.00 0.00 31.44 29.83 2giv n GLU 177 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2giv s LYS 178 N -0.14 3.74 0.26 5.31 -0.14 -1.26 -4.26 119.74 123.26 2giv s LYS 178 Ca 0.72 0.15 -0.29 0.00 -1.36 0.00 0.00 55.97 55.18 2giv s LYS 178 Cb -0.70 -2.96 -0.09 0.00 -1.68 0.00 0.00 37.83 32.39 2giv s LYS 178 CO 0.48 0.54 0.97 -1.25 -0.76 0.00 0.00 175.35 175.33 2giv s PRO 179 N -2.04 4.77 0.23 -1.68 0.04 -1.26 -5.16 135.00 129.90 2giv s PRO 179 Ca 0.35 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 2giv s PRO 179 Cb -0.14 -3.18 -0.09 0.00 0.04 0.00 0.00 34.50 31.14 2giv s PRO 179 CO 0.19 0.42 1.00 -0.51 0.04 0.00 0.00 177.00 178.14 2giv s LEU 180 N -1.38 4.60 0.86 -3.56 1.43 -1.26 -5.05 118.68 114.32 2giv s LEU 180 Ca 0.43 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.45 2giv s LEU 180 Cb -0.26 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.45 2giv s LEU 180 CO 0.32 0.02 1.10 -0.94 0.23 0.00 0.00 176.35 177.09 2giv s SER 181 N -0.90 3.91 0.30 2.29 1.04 -1.26 -4.76 113.70 114.32 2giv s SER 181 Ca 0.43 1.27 0.03 0.00 0.48 0.00 0.00 55.95 58.16 2giv s SER 181 Cb -0.28 -1.96 0.61 0.00 0.10 0.00 0.00 66.02 64.49 2giv s SER 181 CO 0.35 -2.34 1.86 0.44 0.98 0.00 0.00 173.24 174.53 2giv h ASP 182 N -1.34 0.87 0.28 7.02 3.32 -1.99 0.14 116.42 124.71 2giv h ASP 182 Ca -0.49 0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.43 2giv h ASP 182 Cb 1.29 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2giv h ASP 182 CO 0.59 0.48 -0.66 -0.07 -1.72 0.00 0.00 179.24 177.86 2giv h LEU 183 N 0.94 0.41 -0.08 1.55 3.38 -2.00 -2.33 115.31 117.18 2giv h LEU 183 Ca 0.47 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2giv h LEU 183 Cb 0.48 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2giv h LEU 183 CO -0.23 0.95 0.04 1.23 0.09 0.00 0.00 178.44 180.53 2giv h GLY 184 N 1.35 0.10 0.14 0.83 0.00 -1.61 -1.81 103.07 102.08 2giv h GLY 184 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.31 2giv h GLY 184 CO 0.11 0.03 -0.42 0.50 0.00 0.00 0.00 176.54 176.77 2giv h LYS 185 N 0.09 -0.54 -0.90 4.80 1.57 -0.67 0.19 116.57 121.12 2giv h LYS 185 Ca 0.03 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.94 2giv h LYS 185 Cb -0.00 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.35 2giv h LYS 185 CO -0.01 -0.36 0.54 -0.07 -0.57 0.00 0.00 179.45 178.97 2giv h LEU 186 N -0.56 0.79 -0.16 2.94 4.07 -1.36 -0.79 115.31 120.23 2giv h LEU 186 Ca 0.05 0.04 -0.09 0.00 0.08 0.00 0.00 57.88 57.96 2giv h LEU 186 Cb 0.65 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 2giv h LEU 186 CO -0.32 0.45 -0.26 0.28 -1.08 0.00 0.00 178.44 177.51 2giv h SER 187 N 0.90 0.51 -0.27 -0.43 0.02 -0.64 -1.29 113.55 112.35 2giv h SER 187 Ca 0.43 -0.53 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 2giv h SER 187 Cb 0.36 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2giv h SER 187 CO -0.24 0.94 0.04 1.88 -1.14 0.00 0.00 176.83 178.32 2giv h TYR 188 N 0.10 0.49 -0.68 3.45 -1.99 -0.88 -1.03 116.97 116.43 2giv h TYR 188 Ca 0.01 -0.07 0.01 0.00 2.00 0.00 0.00 58.73 60.69 2giv h TYR 188 Cb 0.84 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 39.40 2giv h TYR 188 CO 0.09 0.56 0.44 -0.09 -0.00 0.00 0.00 178.16 179.17 2giv h ARG 189 N 0.27 0.87 0.12 4.88 9.65 -1.17 0.43 114.38 129.42 2giv h ARG 189 Ca 0.08 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 2giv h ARG 189 Cb 0.34 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 2giv h ARG 189 CO 0.01 0.57 -0.06 1.03 2.80 0.00 0.00 179.97 184.32 2giv h SER 190 N 0.89 -0.13 0.08 -3.80 0.87 -1.11 -1.17 113.55 109.18 2giv h SER 190 Ca 0.26 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2giv h SER 190 Cb -0.06 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2giv h SER 190 CO -0.07 0.02 -0.04 0.22 -0.53 0.00 0.00 176.83 176.43 2giv h TYR 191 N -0.29 -0.10 -0.96 2.24 3.20 -0.88 -1.80 116.97 118.38 2giv h TYR 191 Ca -0.02 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.94 2giv h TYR 191 Cb 0.23 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.47 2giv h TYR 191 CO -0.03 -0.04 0.60 -1.49 -1.64 0.00 0.00 178.16 175.56 2giv h TRP 192 N -0.13 1.11 -0.28 -3.82 6.55 -0.08 -1.75 115.95 117.55 2giv h TRP 192 Ca -0.01 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.81 2giv h TRP 192 Cb 0.11 -0.36 -0.01 0.00 -0.86 0.00 0.00 29.16 28.04 2giv h TRP 192 CO -0.07 0.52 -0.04 0.77 -1.05 0.00 0.00 178.44 178.58 2giv h SER 193 N 1.04 0.51 -0.08 -3.49 0.02 -0.93 -0.83 113.55 109.81 2giv h SER 193 Ca 0.44 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2giv h SER 193 Cb 0.28 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2giv h SER 193 CO -0.21 0.73 0.01 -0.25 -1.14 0.00 0.00 176.83 175.97 2giv h TRP 194 N 0.28 0.02 -0.37 3.45 7.01 -1.10 0.25 115.95 125.50 2giv h TRP 194 Ca 0.07 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 2giv h TRP 194 Cb 0.49 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.53 2giv h TRP 194 CO 0.04 0.01 0.19 0.28 -2.79 0.00 0.00 178.44 176.17 2giv h VAL 195 N 0.05 1.15 -0.52 2.65 2.07 -1.26 0.17 116.25 120.56 2giv h VAL 195 Ca 0.03 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 67.02 2giv h VAL 195 Cb 0.03 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2giv h VAL 195 CO -0.05 0.16 -0.11 -0.07 0.02 0.00 0.00 177.57 177.53 2giv h LEU 196 N 0.46 0.99 0.32 2.57 3.38 -0.90 -1.65 115.31 120.48 2giv h LEU 196 Ca 0.13 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2giv h LEU 196 Cb 0.09 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2giv h LEU 196 CO -0.02 1.11 -0.16 -0.07 0.09 0.00 0.00 178.44 179.40 2giv h LEU 197 N 0.85 -0.37 -1.52 1.67 3.38 -0.32 -1.36 115.31 117.65 2giv h LEU 197 Ca 0.13 -0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.19 2giv h LEU 197 Cb 0.67 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 2giv h LEU 197 CO 0.05 -0.16 0.53 1.05 0.09 0.00 0.00 178.44 180.00 2giv h GLU 198 N -0.56 0.45 -0.02 1.13 4.11 -0.68 -2.53 114.58 116.48 2giv h GLU 198 Ca -0.04 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 2giv h GLU 198 Cb 0.41 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2giv h GLU 198 CO 0.07 0.30 -0.00 -0.91 0.07 0.00 0.00 179.01 178.53 2giv h ASN 199 N 0.46 0.04 0.77 3.06 4.21 -1.12 -3.34 115.58 119.65 2giv h ASN 199 Ca 0.40 -0.36 0.00 0.00 1.21 0.00 0.00 56.30 57.55 2giv h ASN 199 Cb 0.88 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.07 2giv h ASN 199 CO -0.14 0.39 0.00 -0.07 -1.29 0.00 0.00 177.43 176.32 2giv h LEU 200 N -0.32 0.00 -2.37 1.61 3.38 -0.81 -3.52 115.31 113.29 2giv h LEU 200 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2giv h LEU 200 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2giv h LEU 200 CO 0.00 0.00 0.00 -2.11 0.09 0.00 0.00 178.44 176.42 2giv n ARG 201 N -2.81 0.32 -0.19 1.13 0.00 -1.14 -4.89 116.66 109.08 2giv n ARG 201 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.79 2giv n ARG 201 Cb 0.24 -1.34 0.00 0.00 -0.00 0.00 0.00 32.46 31.36 2giv n ARG 201 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2giv n SER 208 N 1.06 -0.71 0.08 2.89 2.88 -1.26 -4.72 113.62 113.84 2giv n SER 208 Ca 0.00 0.08 -0.21 0.00 -1.33 0.00 0.00 58.87 57.41 2giv n SER 208 Cb 0.16 -0.13 -0.14 0.00 -0.75 0.00 0.00 64.21 63.34 2giv n SER 208 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2giv h ILE 209 N -0.05 1.40 -0.95 2.46 2.04 -1.99 -1.76 117.51 118.66 2giv h ILE 209 Ca -0.07 -2.50 0.22 0.00 1.00 0.00 0.00 64.86 63.52 2giv h ILE 209 Cb 0.23 2.98 -0.12 0.00 -0.74 0.00 0.00 36.82 39.16 2giv h ILE 209 CO 0.06 0.73 0.51 0.11 0.00 0.00 0.00 178.15 179.56 2giv h LYS 210 N -0.07 0.53 0.04 2.37 1.57 -1.98 -0.73 116.57 118.29 2giv h LYS 210 Ca -0.17 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.33 2giv h LYS 210 Cb 1.78 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.98 2giv h LYS 210 CO 0.20 0.35 -1.05 -0.44 -0.57 0.00 0.00 179.45 177.94 2giv h ASP 211 N 0.54 0.63 -0.72 0.86 5.19 -1.98 -1.20 116.42 119.74 2giv h ASP 211 Ca 0.59 -0.54 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 2giv h ASP 211 Cb 1.07 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.35 2giv h ASP 211 CO -0.47 1.35 0.33 -0.07 -3.12 0.00 0.00 179.24 177.27 2giv h LEU 212 N 0.24 0.96 0.48 1.55 3.38 -1.01 -0.68 115.31 120.24 2giv h LEU 212 Ca -0.11 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2giv h LEU 212 Cb 1.71 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.21 2giv h LEU 212 CO 0.19 0.83 -0.23 -1.28 0.09 0.00 0.00 178.44 178.04 2giv h SER 213 N 1.05 -0.54 -0.65 -0.43 0.87 -0.94 -2.60 113.55 110.32 2giv h SER 213 Ca 0.25 0.01 0.13 0.00 -1.23 0.00 0.00 61.79 60.95 2giv h SER 213 Cb 0.14 0.14 -0.10 0.00 -0.44 0.00 0.00 62.40 62.14 2giv h SER 213 CO -0.03 -0.37 0.10 1.56 -0.53 0.00 0.00 176.83 177.56 2giv h GLN 214 N -0.66 0.20 0.00 2.24 4.20 -1.09 -0.56 115.11 119.44 2giv h GLN 214 Ca -0.07 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 2giv h GLN 214 Cb 0.50 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2giv h GLN 214 CO 0.11 0.13 -0.21 0.52 -0.67 0.00 0.00 178.83 178.71 2giv h MET 215 N 0.21 0.00 0.00 1.46 2.86 -0.98 -3.34 114.93 115.15 2giv h MET 215 Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 2giv h MET 215 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2giv h MET 215 CO -0.48 0.21 -0.22 0.25 1.06 0.00 0.00 176.91 177.73 2giv n THR 216 N -3.43 0.00 -0.82 2.22 -2.24 -0.99 -5.01 114.28 104.02 2giv n THR 216 Ca -0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2giv n THR 216 Cb 0.40 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 2giv n THR 216 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2giv n SER 217 N -0.87 -3.02 -4.76 3.42 7.64 -0.24 -4.87 113.62 110.92 2giv n SER 217 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 2giv n SER 217 Cb 0.00 -2.53 -0.04 0.00 -1.01 0.00 0.00 64.21 60.63 2giv n SER 217 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2giv s ILE 218 N -1.36 3.39 0.61 0.44 1.01 -1.25 -0.84 121.20 123.20 2giv s ILE 218 Ca 0.00 1.40 -0.18 0.00 0.00 0.00 0.00 60.65 61.87 2giv s ILE 218 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2giv s ILE 218 CO 0.00 0.34 1.17 0.42 0.00 0.00 0.00 174.94 176.87 2giv s THR 219 N -1.16 2.83 0.31 2.92 -4.23 -1.25 -4.46 115.64 110.60 2giv s THR 219 Ca 0.45 0.48 0.05 0.00 -1.18 0.00 0.00 61.69 61.49 2giv s THR 219 Cb -0.33 -3.13 0.30 0.00 1.34 0.00 0.00 72.50 70.68 2giv s THR 219 CO 0.43 -0.15 1.83 1.56 -0.54 0.00 0.00 174.62 177.75 2giv h GLN 220 N 0.69 0.83 -0.55 3.99 4.20 -1.95 0.33 115.11 122.65 2giv h GLN 220 Ca -0.49 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.16 2giv h GLN 220 Cb 1.28 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.85 2giv h GLN 220 CO 0.55 0.55 0.31 -0.91 -0.67 0.00 0.00 178.83 178.65 2giv h ASN 221 N 0.86 0.68 0.07 1.46 4.21 -1.99 -0.11 115.58 120.75 2giv h ASN 221 Ca 0.51 -0.09 -0.14 0.00 1.21 0.00 0.00 56.30 57.80 2giv h ASN 221 Cb 0.67 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 2giv h ASN 221 CO -0.28 0.57 -0.47 0.44 -1.29 0.00 0.00 177.43 176.40 2giv h ASP 222 N 0.74 0.51 -0.15 5.81 3.32 -1.70 -2.12 116.42 122.83 2giv h ASP 222 Ca 0.19 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2giv h ASP 222 Cb 0.03 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2giv h ASP 222 CO -0.03 0.90 0.09 0.40 -1.72 0.00 0.00 179.24 178.88 2giv h ILE 223 N 0.38 1.08 -0.99 0.35 2.04 -0.26 -2.46 117.51 117.64 2giv h ILE 223 Ca 0.02 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.72 2giv h ILE 223 Cb 0.97 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 2giv h ILE 223 CO 0.09 0.07 0.64 0.40 0.00 0.00 0.00 178.15 179.35 2giv h ILE 224 N 0.16 1.17 0.01 -0.67 2.04 -0.70 -0.19 117.51 119.32 2giv h ILE 224 Ca 0.05 -0.43 -0.20 0.00 1.00 0.00 0.00 64.86 65.29 2giv h ILE 224 Cb 0.04 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 35.92 2giv h ILE 224 CO -0.01 0.23 -0.91 0.77 0.00 0.00 0.00 178.15 178.22 2giv h SER 225 N 1.24 0.13 0.11 1.72 4.64 -1.37 -1.50 113.55 118.53 2giv h SER 225 Ca 0.39 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 2giv h SER 225 Cb 0.01 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2giv h SER 225 CO -0.13 0.97 -0.05 0.74 -0.87 0.00 0.00 176.83 177.49 2giv h THR 226 N 0.05 1.05 -0.71 2.95 2.02 -1.06 -2.65 112.91 114.55 2giv h THR 226 Ca -0.03 -0.66 0.06 0.00 0.77 0.00 0.00 66.41 66.55 2giv h THR 226 Cb 1.58 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 69.40 2giv h THR 226 CO 0.13 0.16 0.40 -0.07 0.37 0.00 0.00 175.52 176.51 2giv h LEU 227 N -0.46 0.60 -0.65 2.58 3.38 -0.99 -1.66 115.31 118.12 2giv h LEU 227 Ca -0.02 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.07 2giv h LEU 227 Cb 0.37 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2giv h LEU 227 CO 0.03 0.38 0.31 1.56 0.09 0.00 0.00 178.44 180.81 2giv h GLN 228 N 0.73 0.54 0.00 1.13 4.20 -1.30 0.27 115.11 120.67 2giv h GLN 228 Ca 0.32 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.00 2giv h GLN 228 Cb 0.21 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2giv h GLN 228 CO -0.19 0.36 0.00 -1.13 -0.67 0.00 0.00 178.83 177.19 2giv n SER 229 N -4.89 0.55 -1.17 1.46 3.41 -0.85 -1.36 113.62 110.77 2giv n SER 229 Ca 0.09 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.43 2giv n SER 229 Cb 0.24 -0.74 0.24 0.00 -0.26 0.00 0.00 64.21 63.68 2giv n SER 229 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2giv n LEU 230 N -2.09 3.55 -4.10 1.04 4.77 -0.63 -4.98 117.00 114.56 2giv n LEU 230 Ca 0.03 -1.64 -0.47 0.00 -0.03 0.00 0.00 56.01 53.90 2giv n LEU 230 Cb 0.26 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 2giv n LEU 230 CO 0.21 0.80 -0.18 -3.20 -1.33 0.00 0.00 177.39 173.68 2giv n ASN 231 N 1.48 -3.84 -0.67 -1.43 4.05 -0.47 -4.91 115.26 109.47 2giv n ASN 231 Ca 0.20 -1.31 0.06 0.00 0.45 0.00 0.00 54.58 53.98 2giv n ASN 231 Cb 0.60 -1.63 0.13 0.00 1.23 0.00 0.00 39.78 40.10 2giv n ASN 231 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 2giv n MET 232 N -5.06 1.00 -3.84 1.20 2.81 0.82 -4.98 117.12 109.07 2giv n MET 232 Ca -0.12 -2.61 -0.12 0.00 -1.81 0.00 0.00 57.70 53.03 2giv n MET 232 Cb 0.57 -1.12 -0.13 0.00 -0.71 0.00 0.00 33.22 31.83 2giv n MET 232 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2giv s VAL 233 N -2.10 0.00 0.31 2.03 0.11 -1.26 0.03 120.40 119.52 2giv s VAL 233 Ca 0.32 -0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.39 2giv s VAL 233 Cb 0.31 -0.15 -0.06 0.00 -1.53 0.00 0.00 36.38 34.96 2giv s VAL 233 CO -0.06 -0.01 0.05 -1.59 -3.33 0.00 0.00 175.10 170.17 2giv s LYS 234 N 0.03 1.59 -0.13 1.54 -2.85 0.02 -4.89 119.74 115.05 2giv s LYS 234 Ca -0.00 -1.87 0.02 0.00 -1.00 0.00 0.00 55.97 53.12 2giv s LYS 234 Cb -0.01 -0.77 0.00 0.00 -2.06 0.00 0.00 37.83 34.99 2giv s LYS 234 CO 0.00 -0.19 -0.20 0.71 0.10 0.00 0.00 175.35 175.77 2giv s TYR 235 N -3.36 2.68 -0.18 1.78 2.02 -1.26 -1.08 117.35 117.95 2giv s TYR 235 Ca 0.36 -1.15 -0.01 0.00 -0.37 0.00 0.00 57.07 55.90 2giv s TYR 235 Cb 0.08 -1.81 0.05 0.00 -0.40 0.00 0.00 41.96 39.88 2giv s TYR 235 CO 0.15 -0.51 -0.04 -0.46 -1.57 0.00 0.00 175.55 173.12 2giv s TRP 236 N 0.67 1.71 -1.36 2.71 -0.00 -0.61 -4.74 118.94 117.33 2giv s TRP 236 Ca -0.10 -1.14 -0.16 0.00 -0.00 0.00 0.00 56.10 54.71 2giv s TRP 236 Cb -0.16 -1.31 0.02 0.00 -0.00 0.00 0.00 33.47 32.02 2giv s TRP 236 CO 0.02 -0.63 0.30 1.63 -0.00 0.00 0.00 176.95 178.27 2giv n LYS 237 N 4.87 -0.60 0.00 5.86 5.02 -1.26 -1.61 118.16 130.43 2giv n LYS 237 Ca -0.12 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2giv n LYS 237 Cb 0.47 -2.96 0.00 0.00 -0.02 0.00 0.00 35.03 32.53 2giv n LYS 237 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2giv n GLY 238 N -2.34 2.40 3.76 0.72 0.00 -1.26 -5.00 105.19 103.47 2giv n GLY 238 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 2giv n GLY 238 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2giv s GLN 239 N 0.00 4.73 -0.31 1.61 -0.21 -0.64 -5.00 119.66 119.85 2giv s GLN 239 Ca 0.00 1.34 -0.22 0.00 0.02 0.00 0.00 55.36 56.50 2giv s GLN 239 Cb 0.00 -3.27 -0.00 0.00 1.00 0.00 0.00 33.01 30.74 2giv s GLN 239 CO 0.00 0.54 0.72 -1.01 -2.12 0.00 0.00 175.29 173.43 2giv s HIS 240 N -1.16 3.20 -0.11 0.91 3.76 -1.26 -1.57 115.29 119.06 2giv s HIS 240 Ca 0.39 0.70 0.03 0.00 -0.15 0.00 0.00 55.06 56.03 2giv s HIS 240 Cb -0.25 -3.14 -0.00 0.00 1.11 0.00 0.00 32.58 30.30 2giv s HIS 240 CO 0.29 -0.54 -0.21 0.08 -0.85 0.00 0.00 174.74 173.51 2giv s VAL 241 N 2.83 2.28 0.28 -0.90 1.01 -0.24 -4.96 120.40 120.69 2giv s VAL 241 Ca 0.29 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2giv s VAL 241 Cb -0.14 -1.89 -0.12 0.00 0.00 0.00 0.00 36.38 34.22 2giv s VAL 241 CO 0.12 0.55 1.61 0.00 0.00 0.00 0.00 175.10 177.38 2giv n ILE 242 N 3.58 0.85 -3.49 2.22 0.13 -1.26 -0.80 119.36 120.58 2giv n ILE 242 Ca -0.19 -0.21 -0.29 0.00 -1.10 0.00 0.00 62.75 60.96 2giv n ILE 242 Cb 0.53 -1.94 -0.13 0.00 -0.84 0.00 0.00 39.64 37.26 2giv n ILE 242 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2giv s VAL 244 N 1.49 0.13 0.03 0.00 0.11 -1.26 -4.21 120.40 116.69 2giv s VAL 244 Ca 0.14 -1.03 0.07 0.00 -2.93 0.00 0.00 61.98 58.23 2giv s VAL 244 Cb -0.20 -1.16 -0.03 0.00 -1.53 0.00 0.00 36.38 33.46 2giv s VAL 244 CO -0.14 -0.57 -0.19 0.28 -3.33 0.00 0.00 175.10 171.15 2giv s THR 245 N -3.33 2.71 0.64 5.04 -1.32 -1.26 -5.00 115.64 113.13 2giv s THR 245 Ca 0.01 -1.17 0.27 0.00 -1.21 0.00 0.00 61.69 59.59 2giv s THR 245 Cb 0.02 -2.12 0.30 0.00 -1.51 0.00 0.00 72.50 69.19 2giv s THR 245 CO -0.08 0.37 1.82 -0.65 -2.21 0.00 0.00 174.62 173.87 2giv h PRO 246 N 4.66 0.00 -0.91 7.08 0.11 -1.90 -2.77 132.00 138.27 2giv h PRO 246 Ca -0.47 0.00 0.26 0.00 0.11 0.00 0.00 66.00 65.89 2giv h PRO 246 Cb 1.15 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.11 2giv h PRO 246 CO 0.47 0.00 0.19 1.57 -0.21 0.00 0.00 178.00 180.02 2giv h LYS 247 N 0.00 0.13 -0.08 1.05 -0.00 -1.96 -3.41 116.57 112.30 2giv h LYS 247 Ca 0.07 -0.01 0.18 0.00 -0.00 0.00 0.00 60.65 60.90 2giv h LYS 247 Cb 0.97 -0.03 -0.17 0.00 -0.00 0.00 0.00 32.23 33.00 2giv h LYS 247 CO -0.00 0.08 -0.03 -0.51 -0.00 0.00 0.00 179.45 179.00 2giv s LEU 248 N -10.74 -0.12 0.00 7.07 1.02 -1.04 -4.76 118.68 110.10 2giv s LEU 248 Ca -0.12 -0.04 0.00 0.00 0.02 0.00 0.00 54.13 53.98 2giv s LEU 248 Cb 0.27 0.36 0.00 0.00 0.02 0.00 0.00 46.19 46.85 2giv s LEU 248 CO 0.77 -0.02 0.00 0.55 0.02 0.00 0.00 176.35 177.68 2giv n VAL 249 N 3.90 0.00 0.00 -1.59 3.14 -1.25 -4.91 118.33 117.62 2giv n VAL 249 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2giv n VAL 249 Cb 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.41 2giv n VAL 249 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2giv n GLU 250 N -0.13 0.00 -3.39 1.45 0.28 -1.26 -5.01 120.64 112.58 2giv n GLU 250 Ca 0.00 0.23 -0.13 0.00 -0.16 0.00 0.00 57.16 57.10 2giv n GLU 250 Cb 0.00 -0.70 0.00 0.00 1.43 0.00 0.00 31.44 32.17 2giv n GLU 250 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2giv n GLU 251 N -2.04 -1.52 -1.44 3.44 -0.58 -1.26 -5.07 120.64 112.16 2giv n GLU 251 Ca 0.00 1.22 0.00 0.00 -0.42 0.00 0.00 57.16 57.96 2giv n GLU 251 Cb 0.00 -4.04 0.00 0.00 -0.57 0.00 0.00 31.44 26.83 2giv n GLU 251 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2giv n HIS 252 N -1.95 0.00 -1.29 -0.32 -0.00 -1.26 -5.24 115.22 105.16 2giv n HIS 252 Ca -0.14 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.25 2giv n HIS 252 Cb 0.59 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.45 2giv n HIS 252 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 2giv n LEU 253 N 0.00 0.08 0.00 2.39 -0.00 -1.26 -5.26 117.00 112.94 2giv n LEU 253 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 2giv n LEU 253 Cb 0.00 -0.75 0.00 0.00 -0.00 0.00 0.00 43.42 42.67 2giv n LEU 253 CO 0.00 -0.69 0.00 -2.65 -0.00 0.00 0.00 177.39 174.05 2giv n PRO 261 N 7.02 0.00 0.06 1.47 -0.02 -1.26 -5.28 135.00 136.99 2giv n PRO 261 Ca 0.57 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 62.15 2giv n PRO 261 Cb 0.04 0.00 0.57 0.00 -0.02 0.00 0.00 33.50 34.08 2giv n PRO 261 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2giv h PRO 262 N 0.00 0.22 -3.07 0.52 0.13 -1.92 -3.38 132.00 124.50 2giv h PRO 262 Ca 0.00 -0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.86 2giv h PRO 262 Cb 0.00 -0.05 -0.34 0.00 0.13 0.00 0.00 31.00 30.74 2giv h PRO 262 CO 0.00 0.15 -0.59 -1.50 -0.23 0.00 0.00 178.00 175.82 2giv s ILE 263 N -5.24 -0.23 0.34 -3.56 2.07 -1.26 -5.10 121.20 108.22 2giv s ILE 263 Ca -0.06 0.28 0.09 0.00 -1.41 0.00 0.00 60.65 59.56 2giv s ILE 263 Cb 0.18 -0.32 -0.06 0.00 0.13 0.00 0.00 42.46 42.39 2giv s ILE 263 CO 0.72 0.12 -0.10 0.42 -1.91 0.00 0.00 174.94 174.18 2giv s THR 264 N 1.98 2.22 -0.21 4.00 -4.23 -1.26 -4.35 115.64 113.78 2giv s THR 264 Ca -0.01 -2.21 -0.24 0.00 -1.18 0.00 0.00 61.69 58.05 2giv s THR 264 Cb -0.12 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.10 2giv s THR 264 CO -0.07 -0.22 0.79 -0.69 -0.54 0.00 0.00 174.62 173.90 2giv s VAL 265 N -2.63 4.89 -0.43 2.29 1.01 -1.26 -5.01 120.40 119.26 2giv s VAL 265 Ca 0.32 1.51 -0.18 0.00 0.00 0.00 0.00 61.98 63.64 2giv s VAL 265 Cb 0.02 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.34 2giv s VAL 265 CO 0.16 -0.01 0.46 -0.62 0.00 0.00 0.00 175.10 175.09 2giv s ASP 266 N 1.26 6.20 0.53 3.32 2.15 -1.26 -4.94 116.67 123.94 2giv s ASP 266 Ca 0.35 -0.68 0.22 0.00 0.43 0.00 0.00 52.55 52.87 2giv s ASP 266 Cb -0.16 -2.23 1.38 0.00 -0.30 0.00 0.00 42.92 41.61 2giv s ASP 266 CO 0.10 -0.61 2.07 0.77 -0.17 0.00 0.00 175.17 177.33 2giv h SER 267 N 8.75 0.00 0.46 -0.34 4.64 -1.95 0.19 113.55 125.30 2giv h SER 267 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2giv h SER 267 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2giv h SER 267 CO 0.81 0.00 0.00 0.52 -0.87 0.00 0.00 176.83 177.29 2giv n VAL 268 N -4.37 0.91 0.26 0.95 0.31 -1.26 -2.11 118.33 113.02 2giv n VAL 268 Ca 0.04 0.42 0.08 0.00 -0.01 0.00 0.00 64.34 64.86 2giv n VAL 268 Cb 0.37 -1.38 0.13 0.00 -0.91 0.00 0.00 33.84 32.05 2giv n VAL 268 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2giv s LEU 270 N -1.16 3.84 -0.52 0.00 0.20 -0.90 -3.35 118.68 116.79 2giv s LEU 270 Ca 0.24 0.09 0.04 0.00 0.69 0.00 0.00 54.13 55.19 2giv s LEU 270 Cb 0.14 -1.97 0.14 0.00 -0.43 0.00 0.00 46.19 44.08 2giv s LEU 270 CO 0.20 0.18 0.30 -0.54 -0.29 0.00 0.00 176.35 176.20 2giv s LYS 271 N 0.35 1.78 -0.24 1.98 1.02 0.11 -5.02 119.74 119.73 2giv s LYS 271 Ca 0.03 -2.53 -0.23 0.00 0.02 0.00 0.00 55.97 53.27 2giv s LYS 271 Cb -0.12 -2.90 0.06 0.00 -0.52 0.00 0.00 37.83 34.35 2giv s LYS 271 CO -0.00 -1.18 0.65 -0.46 -0.92 0.00 0.00 175.35 173.44 2giv s TRP 272 N -0.28 -0.71 0.12 3.18 -0.00 -1.26 -4.67 118.94 115.32 2giv s TRP 272 Ca 0.20 1.71 0.08 0.00 -0.00 0.00 0.00 56.10 58.09 2giv s TRP 272 Cb -0.20 0.25 -0.04 0.00 -0.00 0.00 0.00 33.47 33.49 2giv s TRP 272 CO -0.04 -0.35 -0.20 0.00 -0.00 0.00 0.00 176.95 176.36 2giv s ALA 273 N 0.28 1.83 -0.72 5.86 0.00 -1.26 -5.09 121.76 122.65 2giv s ALA 273 Ca -0.00 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2giv s ALA 273 Cb -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.85 2giv s ALA 273 CO 0.01 0.32 0.18 -0.35 0.00 0.00 0.00 175.76 175.92