#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2omd n GLU 2 N 0.00 2.29 0.00 3.17 2.13 -1.26 -4.78 120.64 122.19 2omd n GLU 2 Ca 0.00 -1.52 0.00 0.00 0.66 0.00 0.00 57.16 56.30 2omd n GLU 2 Cb 0.00 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.24 2omd n GLU 2 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2omd n VAL 3 N 4.02 0.00 0.00 6.31 0.31 -1.26 -4.10 118.33 123.61 2omd n VAL 3 Ca 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 2omd n VAL 3 Cb 0.17 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 2omd n VAL 3 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2omd n GLY 4 N 5.00 1.98 3.16 2.92 0.00 -1.26 -4.79 105.19 112.20 2omd n GLY 4 Ca 0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 2omd n GLY 4 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2omd s MET 5 N 0.00 1.25 0.14 1.61 -1.94 -1.26 -5.13 119.30 113.97 2omd s MET 5 Ca 0.00 -0.68 -0.31 0.00 -1.71 0.00 0.00 55.69 52.98 2omd s MET 5 Cb 0.00 -1.25 -0.10 0.00 2.01 0.00 0.00 34.83 35.49 2omd s MET 5 CO 0.00 0.33 1.67 0.42 -0.01 0.00 0.00 175.02 177.43 2omd s ILE 6 N -0.55 2.63 0.28 2.53 1.01 -1.26 -4.96 121.20 120.88 2omd s ILE 6 Ca 0.06 0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 2omd s ILE 6 Cb -0.07 -3.20 -0.11 0.00 0.01 0.00 0.00 42.46 39.09 2omd s ILE 6 CO 0.00 0.01 1.57 -2.16 0.00 0.00 0.00 174.94 174.37 2omd s PRO 7 N 1.89 4.14 0.34 2.79 0.04 -1.26 -4.87 135.00 138.07 2omd s PRO 7 Ca 0.74 2.54 0.12 0.00 0.04 0.00 0.00 61.00 64.43 2omd s PRO 7 Cb -0.44 -3.04 0.61 0.00 0.04 0.00 0.00 34.50 31.67 2omd s PRO 7 CO 0.33 -0.60 1.76 0.00 0.04 0.00 0.00 177.00 178.53 2omd h ARG 8 N 4.94 0.02 -5.21 4.56 -0.00 -1.93 -3.40 114.38 113.36 2omd h ARG 8 Ca -0.47 -0.01 -0.67 0.00 -0.50 0.00 0.00 59.98 58.33 2omd h ARG 8 Cb 1.22 -0.00 -0.32 0.00 0.00 0.00 0.00 29.97 30.87 2omd h ARG 8 CO 0.80 0.45 -0.84 0.08 0.00 0.00 0.00 179.97 180.46 2omd s VAL 9 N -4.04 2.32 -0.04 2.04 1.01 -1.26 -0.57 120.40 119.86 2omd s VAL 9 Ca -0.03 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 2omd s VAL 9 Cb 0.14 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.59 2omd s VAL 9 CO 0.74 0.54 0.09 -0.47 0.00 0.00 0.00 175.10 176.00 2omd s TYR 10 N 0.76 -0.10 -0.15 5.22 5.04 -0.87 -5.00 117.35 122.24 2omd s TYR 10 Ca -0.08 0.27 -0.04 0.00 -2.44 0.00 0.00 57.07 54.78 2omd s TYR 10 Cb -0.16 0.01 0.07 0.00 0.35 0.00 0.00 41.96 42.23 2omd s TYR 10 CO 0.00 -0.06 0.20 -1.17 -1.34 0.00 0.00 175.55 173.17 2omd s LEU 11 N 0.24 -0.09 0.00 6.97 2.96 -1.26 -1.43 118.68 126.07 2omd s LEU 11 Ca -0.02 0.04 -0.26 0.00 -0.22 0.00 0.00 54.13 53.68 2omd s LEU 11 Cb -0.03 0.35 0.08 0.00 0.50 0.00 0.00 46.19 47.10 2omd s LEU 11 CO -0.01 -0.29 1.16 0.61 -1.32 0.00 0.00 176.35 176.50 2omd n GLY 12 N 5.32 0.20 0.07 7.98 0.00 -1.13 -4.97 105.19 112.67 2omd n GLY 12 Ca -0.05 -1.01 0.13 0.00 0.00 0.00 0.00 46.02 45.09 2omd n GLY 12 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2omd n HIS 13 N -0.84 0.64 -2.40 1.61 8.25 -1.26 -1.02 115.22 120.20 2omd n HIS 13 Ca 0.05 0.19 -0.05 0.00 -0.26 0.00 0.00 57.72 57.64 2omd n HIS 13 Cb 0.51 -0.79 0.03 0.00 1.12 0.00 0.00 29.99 30.85 2omd n HIS 13 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2omd n GLU 14 N -2.03 0.50 -3.64 -0.41 1.02 -1.26 -4.83 120.64 109.99 2omd n GLU 14 Ca 0.06 -0.64 -0.07 0.00 -0.02 0.00 0.00 57.16 56.50 2omd n GLU 14 Cb 0.40 -0.14 -0.07 0.00 -0.02 0.00 0.00 31.44 31.61 2omd n GLU 14 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 2omd s TRP 15 N -0.45 -0.98 -0.12 -0.32 -0.00 -1.26 -4.84 118.94 110.98 2omd s TRP 15 Ca 0.15 1.97 -0.17 0.00 -0.00 0.00 0.00 56.10 58.05 2omd s TRP 15 Cb -0.01 0.58 -0.15 0.00 -0.00 0.00 0.00 33.47 33.89 2omd s TRP 15 CO 0.10 -0.48 0.47 0.74 -0.00 0.00 0.00 176.95 177.78 2omd h PHE 16 N 6.75 -0.01 0.00 5.86 0.04 -2.00 -3.51 116.94 124.08 2omd h PHE 16 Ca -0.30 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.47 2omd h PHE 16 Cb 1.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.37 2omd h PHE 16 CO 0.08 0.56 0.00 0.41 -0.60 0.00 0.00 178.31 178.76 2omd n GLY 17 N 1.62 0.31 0.35 -1.45 0.00 -1.26 -4.34 105.19 100.43 2omd n GLY 17 Ca -0.06 -1.62 -0.02 0.00 0.00 0.00 0.00 46.02 44.32 2omd n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2omd h ALA 18 N 0.00 1.25 0.06 4.61 0.00 -1.99 -1.85 119.26 121.35 2omd h ALA 18 Ca 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2omd h ALA 18 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2omd h ALA 18 CO 0.00 0.60 -0.03 0.93 0.00 0.00 0.00 179.25 180.75 2omd h GLU 19 N 1.13 -0.08 -0.47 0.00 3.07 -1.99 0.23 114.58 116.46 2omd h GLU 19 Ca 0.28 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.11 2omd h GLU 19 Cb 0.03 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2omd h GLU 19 CO -0.05 -0.04 0.15 -0.09 -1.40 0.00 0.00 179.01 177.58 2omd h ARG 20 N -0.10 0.73 -0.03 2.33 2.43 -1.73 -0.38 114.38 117.64 2omd h ARG 20 Ca -0.01 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2omd h ARG 20 Cb 0.08 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2omd h ARG 20 CO 0.01 0.70 0.01 0.82 -1.51 0.00 0.00 179.97 180.00 2omd h ILE 21 N 0.63 1.09 -0.44 1.20 2.04 -1.20 0.33 117.51 121.16 2omd h ILE 21 Ca 0.15 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 2omd h ILE 21 Cb 0.27 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2omd h ILE 21 CO -0.00 0.08 0.07 -0.07 0.00 0.00 0.00 178.15 178.22 2omd h LEU 22 N -0.06 0.63 -0.08 1.44 3.38 -0.91 0.12 115.31 119.83 2omd h LEU 22 Ca 0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2omd h LEU 22 Cb 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2omd h LEU 22 CO -0.00 0.65 -0.01 -1.28 0.09 0.00 0.00 178.44 177.89 2omd h SER 23 N 0.65 0.15 0.37 -0.43 0.87 -0.81 -3.35 113.55 111.01 2omd h SER 23 Ca 0.14 -0.35 -0.32 0.00 -1.23 0.00 0.00 61.79 60.04 2omd h SER 23 Cb 0.30 -0.04 0.03 0.00 -0.44 0.00 0.00 62.40 62.25 2omd h SER 23 CO 0.00 0.46 -1.43 -0.33 -0.53 0.00 0.00 176.83 175.00 2omd h GLU 24 N -0.16 0.45 -6.62 2.24 5.08 -0.82 -3.46 114.58 111.27 2omd h GLU 24 Ca 0.02 -0.76 -0.52 0.00 -1.00 0.00 0.00 59.36 57.10 2omd h GLU 24 Cb 0.39 0.28 0.05 0.00 0.50 0.00 0.00 28.75 29.97 2omd h GLU 24 CO 0.01 1.36 0.94 -0.47 -1.00 0.00 0.00 179.01 179.85 2omd s TYR 25 N -2.62 2.98 -0.27 4.33 5.04 0.02 -4.98 117.35 121.85 2omd s TYR 25 Ca -0.08 0.50 -0.14 0.00 -2.44 0.00 0.00 57.07 54.90 2omd s TYR 25 Cb 0.05 -4.02 -0.04 0.00 0.35 0.00 0.00 41.96 38.30 2omd s TYR 25 CO 0.92 -3.82 0.34 -0.65 -1.34 0.00 0.00 175.55 171.00 2omd s GLN 26 N 1.20 4.01 0.06 4.97 -1.52 -1.26 -4.92 119.66 122.19 2omd s GLN 26 Ca 0.72 -0.02 -0.31 0.00 -1.95 0.00 0.00 55.36 53.80 2omd s GLN 26 Cb -0.46 -3.66 -0.06 0.00 -0.22 0.00 0.00 33.01 28.61 2omd s GLN 26 CO 0.32 -0.26 1.26 0.08 -0.25 0.00 0.00 175.29 176.44 2omd s VAL 27 N 2.01 3.85 0.56 1.09 1.01 -1.26 -5.00 120.40 122.65 2omd s VAL 27 Ca 0.14 1.31 -0.19 0.00 0.00 0.00 0.00 61.98 63.23 2omd s VAL 27 Cb -0.16 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 2omd s VAL 27 CO 0.10 0.08 1.16 -2.84 0.00 0.00 0.00 175.10 173.61 2omd s PRO 28 N 1.27 3.24 0.56 2.72 0.02 -1.26 -4.92 135.00 136.64 2omd s PRO 28 Ca 0.60 1.70 0.27 0.00 0.02 0.00 0.00 61.00 63.60 2omd s PRO 28 Cb -0.31 -2.00 1.48 0.00 0.02 0.00 0.00 34.50 33.69 2omd s PRO 28 CO 0.29 -0.96 1.98 0.93 -0.33 0.00 0.00 177.00 178.91 2omd h GLU 29 N 1.14 0.00 -0.41 5.54 5.08 -2.03 -0.84 114.58 123.07 2omd h GLU 29 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2omd h GLU 29 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2omd h GLU 29 CO 0.56 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.17 2omd n ASP 30 N -4.04 2.58 -4.50 1.42 5.75 -1.26 -4.86 116.55 111.64 2omd n ASP 30 Ca 0.08 -1.93 -0.34 0.00 -0.01 0.00 0.00 54.79 52.59 2omd n ASP 30 Cb 0.58 -0.27 -0.12 0.00 -1.03 0.00 0.00 41.12 40.28 2omd n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2omd n GLY 32 N 3.41 2.00 3.16 0.00 0.00 -0.51 -4.78 105.19 108.48 2omd n GLY 32 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 2omd n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2omd s ALA 33 N -0.80 -0.61 -0.04 4.61 0.00 -0.86 -4.88 121.76 119.18 2omd s ALA 33 Ca 0.00 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.44 2omd s ALA 33 Cb 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.93 2omd s ALA 33 CO 0.00 -0.17 -0.04 -0.65 0.00 0.00 0.00 175.76 174.91 2omd s GLN 34 N -0.48 0.68 -0.15 0.00 -0.21 -1.26 -1.63 119.66 116.62 2omd s GLN 34 Ca -0.06 -0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.25 2omd s GLN 34 Cb -0.04 -0.72 0.03 0.00 1.00 0.00 0.00 33.01 33.28 2omd s GLN 34 CO 0.01 -0.07 -0.12 0.08 -2.12 0.00 0.00 175.29 173.08 2omd s VAL 35 N 0.83 1.42 -0.10 1.09 1.01 -0.62 -5.00 120.40 119.04 2omd s VAL 35 Ca -0.10 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2omd s VAL 35 Cb -0.13 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 2omd s VAL 35 CO -0.00 0.39 -0.15 -0.22 0.00 0.00 0.00 175.10 175.12 2omd s LEU 36 N 1.54 2.63 -0.07 3.92 2.96 -1.26 -1.53 118.68 126.87 2omd s LEU 36 Ca 0.04 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 2omd s LEU 36 Cb -0.13 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 2omd s LEU 36 CO -0.10 0.23 -0.20 0.12 -1.32 0.00 0.00 176.35 175.08 2omd s PHE 37 N -0.05 2.58 -0.14 5.38 5.36 0.31 -5.00 117.98 126.42 2omd s PHE 37 Ca -0.03 -0.58 0.01 0.00 -0.96 0.00 0.00 56.93 55.36 2omd s PHE 37 Cb -0.14 -1.66 0.02 0.00 -0.34 0.00 0.00 43.02 40.90 2omd s PHE 37 CO 0.04 -0.12 -0.15 -0.51 -1.46 0.00 0.00 175.22 173.02 2omd s LEU 38 N -0.19 1.72 -0.17 6.12 1.43 -1.26 -1.60 118.68 124.73 2omd s LEU 38 Ca -0.02 -0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 2omd s LEU 38 Cb -0.14 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 2omd s LEU 38 CO 0.03 -0.03 0.33 -0.83 0.23 0.00 0.00 176.35 176.08 2omd s GLY 39 N 1.29 2.18 -0.05 -3.19 0.00 0.74 -4.98 107.32 103.31 2omd s GLY 39 Ca 0.01 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.28 2omd s GLY 39 CO -0.07 0.56 -0.14 -0.42 0.00 0.00 0.00 173.10 173.03 2omd s ILE 40 N 0.74 1.19 0.19 0.90 1.01 -1.26 -1.10 121.20 122.87 2omd s ILE 40 Ca 0.17 -0.55 -0.33 0.00 0.00 0.00 0.00 60.65 59.95 2omd s ILE 40 Cb -0.14 -1.06 -0.13 0.00 0.01 0.00 0.00 42.46 41.15 2omd s ILE 40 CO 0.05 0.36 1.60 -2.65 0.00 0.00 0.00 174.94 174.30 2omd n PRO 41 N 3.49 2.35 -4.38 2.79 -0.02 -1.26 -4.86 135.00 133.11 2omd n PRO 41 Ca -0.20 0.84 -0.25 0.00 -2.02 0.00 0.00 63.50 61.87 2omd n PRO 41 Cb 0.53 -2.62 -0.12 0.00 -0.02 0.00 0.00 33.50 31.27 2omd n PRO 41 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2omd s ARG 42 N 0.72 1.39 -0.12 -0.52 1.70 -1.26 -2.15 118.95 118.71 2omd s ARG 42 Ca 0.75 -1.44 -0.30 0.00 -0.47 0.00 0.00 55.73 54.28 2omd s ARG 42 Cb -0.61 -1.61 -0.02 0.00 -0.57 0.00 0.00 34.95 32.13 2omd s ARG 42 CO 0.38 0.35 1.18 1.21 -1.08 0.00 0.00 175.30 177.34 2omd s ASN 43 N -2.58 7.04 -0.66 -2.89 2.47 -1.26 -4.92 114.94 112.14 2omd s ASN 43 Ca 0.17 1.70 0.05 0.00 0.42 0.00 0.00 52.86 55.20 2omd s ASN 43 Cb -0.07 -2.55 0.16 0.00 -1.45 0.00 0.00 41.25 37.34 2omd s ASN 43 CO 0.08 -0.64 0.45 0.00 -3.72 0.00 0.00 177.10 173.27 2omd s ALA 44 N 2.72 3.65 0.59 1.71 0.00 -1.26 -4.93 121.76 124.24 2omd s ALA 44 Ca 0.53 -3.70 0.29 0.00 0.00 0.00 0.00 51.96 49.08 2omd s ALA 44 Cb -0.22 -2.15 1.60 0.00 0.00 0.00 0.00 23.12 22.35 2omd s ALA 44 CO 0.17 -2.08 2.03 -1.35 0.00 0.00 0.00 175.76 174.53 2omd h PRO 45 N 5.59 0.00 0.00 0.00 0.11 -1.94 0.18 132.00 135.94 2omd h PRO 45 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2omd h PRO 45 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2omd h PRO 45 CO 0.70 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.64 2omd n GLU 46 N -3.74 0.13 -0.35 1.05 0.00 -1.26 -2.16 120.64 114.30 2omd n GLU 46 Ca 0.04 0.20 0.12 0.00 0.00 0.00 0.00 57.16 57.52 2omd n GLU 46 Cb 0.44 -1.50 0.31 0.00 0.00 0.00 0.00 31.44 30.69 2omd n GLU 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2omd n ASP 47 N -1.35 3.90 0.00 -1.84 8.00 0.63 -4.93 116.55 120.96 2omd n ASP 47 Ca 0.05 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.55 2omd n ASP 47 Cb 0.11 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 2omd n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2omd n GLY 48 N 1.66 1.70 0.00 0.44 0.00 -0.92 -5.08 105.19 102.99 2omd n GLY 48 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2omd n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2omd n GLY 49 N 0.00 -1.98 3.73 -0.02 0.00 -1.21 -4.65 105.19 101.06 2omd n GLY 49 Ca 0.00 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 2omd n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2omd s ASN 50 N -2.38 7.29 -0.13 1.61 0.01 -1.26 -3.92 114.94 116.16 2omd s ASN 50 Ca 0.00 1.97 -0.09 0.00 -0.71 0.00 0.00 52.86 54.03 2omd s ASN 50 Cb 0.00 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 2omd s ASN 50 CO 0.00 -0.24 0.17 -0.63 -1.51 0.00 0.00 177.10 174.89 2omd s ILE 51 N 0.19 5.44 -0.14 0.60 1.01 -1.26 -0.27 121.20 126.77 2omd s ILE 51 Ca 0.51 0.27 0.04 0.00 0.00 0.00 0.00 60.65 61.47 2omd s ILE 51 Cb -0.27 -3.45 -0.23 0.00 0.01 0.00 0.00 42.46 38.52 2omd s ILE 51 CO 0.32 0.57 0.26 1.21 0.00 0.00 0.00 174.94 177.30 2omd n GLU 52 N 2.35 0.69 -3.74 2.79 2.13 0.14 -4.76 120.64 120.25 2omd n GLU 52 Ca -0.18 0.20 -0.04 0.00 0.66 0.00 0.00 57.16 57.81 2omd n GLU 52 Cb 0.54 -1.66 -0.01 0.00 0.27 0.00 0.00 31.44 30.58 2omd n GLU 52 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2omd s ALA 53 N -2.55 -1.67 -0.06 4.31 0.00 -0.97 -3.00 121.76 117.83 2omd s ALA 53 Ca -0.19 0.17 0.04 0.00 0.00 0.00 0.00 51.96 51.98 2omd s ALA 53 Cb 0.07 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 2omd s ALA 53 CO 0.75 -1.03 -0.19 -0.51 0.00 0.00 0.00 175.76 174.79 2omd s LEU 54 N -2.92 2.46 -0.10 0.00 1.02 -0.29 0.14 118.68 118.99 2omd s LEU 54 Ca 0.12 -0.34 -0.02 0.00 0.02 0.00 0.00 54.13 53.90 2omd s LEU 54 Cb -0.01 -1.49 -0.03 0.00 0.02 0.00 0.00 46.19 44.68 2omd s LEU 54 CO 0.02 0.28 0.00 -0.70 0.02 0.00 0.00 176.35 175.97 2omd s GLU 55 N -0.36 3.13 -0.07 1.70 2.12 0.59 -0.60 118.70 125.21 2omd s GLU 55 Ca 0.03 -0.41 0.03 0.00 0.36 0.00 0.00 54.97 54.98 2omd s GLU 55 Cb -0.12 -2.84 0.01 0.00 0.26 0.00 0.00 34.13 31.43 2omd s GLU 55 CO 0.02 0.63 -0.14 0.71 -0.54 0.00 0.00 175.26 175.94 2omd s TYR 56 N -0.67 1.58 0.04 5.30 2.02 -0.31 -1.08 117.35 124.24 2omd s TYR 56 Ca 0.11 -0.58 -0.01 0.00 -0.37 0.00 0.00 57.07 56.22 2omd s TYR 56 Cb -0.12 -1.14 -0.03 0.00 -0.40 0.00 0.00 41.96 40.28 2omd s TYR 56 CO 0.02 -0.28 -0.03 -1.21 -1.57 0.00 0.00 175.55 172.49 2omd s GLU 57 N 0.56 0.50 -0.02 -0.62 0.41 -0.45 0.25 118.70 119.33 2omd s GLU 57 Ca -0.14 -1.00 -0.30 0.00 -0.41 0.00 0.00 54.97 53.12 2omd s GLU 57 Cb -0.16 0.18 0.12 0.00 -1.78 0.00 0.00 34.13 32.49 2omd s GLU 57 CO 0.04 -0.09 1.30 0.00 -0.49 0.00 0.00 175.26 176.02 2omd s ALA 58 N -3.03 -2.33 -0.55 5.21 0.00 -1.26 -0.62 121.76 119.17 2omd s ALA 58 Ca -0.01 0.52 -0.18 0.00 0.00 0.00 0.00 51.96 52.29 2omd s ALA 58 Cb 0.02 0.51 0.10 0.00 0.00 0.00 0.00 23.12 23.74 2omd s ALA 58 CO -0.07 -1.08 0.60 -0.47 0.00 0.00 0.00 175.76 174.74 2omd s TYR 59 N -2.26 3.10 0.21 0.00 5.04 -1.26 -4.98 117.35 117.20 2omd s TYR 59 Ca 0.19 -0.99 -0.19 0.00 -2.44 0.00 0.00 57.07 53.64 2omd s TYR 59 Cb 0.04 -3.80 0.18 0.00 0.35 0.00 0.00 41.96 38.73 2omd s TYR 59 CO -0.03 -1.13 1.57 -1.35 -1.34 0.00 0.00 175.55 173.27 2omd h PRO 60 N 9.03 -0.08 -0.46 4.97 0.11 -1.97 -2.72 132.00 140.88 2omd h PRO 60 Ca -0.29 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.92 2omd h PRO 60 Cb 1.09 0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.13 2omd h PRO 60 CO 1.04 -0.05 -0.12 1.49 -0.21 0.00 0.00 178.00 180.15 2omd h GLU 61 N -0.08 0.00 -0.24 1.05 4.81 -1.99 0.47 114.58 118.60 2omd h GLU 61 Ca 0.29 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 2omd h GLU 61 Cb 0.57 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2omd h GLU 61 CO -0.83 0.00 0.09 1.98 -0.73 0.00 0.00 179.01 179.52 2omd h MET 62 N 0.00 0.36 -0.19 1.92 4.05 -1.95 -1.92 114.93 117.20 2omd h MET 62 Ca 0.22 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 2omd h MET 62 Cb 0.34 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 2omd h MET 62 CO -0.48 0.42 0.10 0.00 0.23 0.00 0.00 176.91 177.18 2omd h ALA 63 N 0.92 0.25 -0.71 0.39 0.00 -1.10 -2.77 119.26 116.24 2omd h ALA 63 Ca 0.08 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2omd h ALA 63 Cb 0.20 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 2omd h ALA 63 CO -0.00 -0.20 0.38 0.82 0.00 0.00 0.00 179.25 180.25 2omd h ILE 64 N 0.20 0.92 -0.89 0.00 2.04 -0.03 -1.37 117.51 118.37 2omd h ILE 64 Ca 0.07 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2omd h ILE 64 Cb 0.10 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 2omd h ILE 64 CO -0.01 0.12 0.49 0.11 0.00 0.00 0.00 178.15 178.87 2omd h LYS 65 N 0.68 1.25 -0.18 2.37 1.57 -1.15 -0.14 116.57 120.97 2omd h LYS 65 Ca 0.33 -0.14 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 2omd h LYS 65 Cb 0.27 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2omd h LYS 65 CO -0.22 0.91 -0.52 1.49 -0.57 0.00 0.00 179.45 180.54 2omd h GLU 66 N 1.25 0.50 -0.43 3.15 4.57 -1.17 -1.61 114.58 120.83 2omd h GLU 66 Ca 0.32 -0.30 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2omd h GLU 66 Cb 0.02 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 2omd h GLU 66 CO -0.05 0.89 0.16 0.52 -1.18 0.00 0.00 179.01 179.35 2omd h MET 67 N 0.39 0.66 -0.64 1.92 2.86 -0.75 -0.75 114.93 118.61 2omd h MET 67 Ca 0.01 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 2omd h MET 67 Cb 1.04 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 2omd h MET 67 CO 0.09 0.62 0.21 0.93 1.06 0.00 0.00 176.91 179.82 2omd h GLU 68 N 0.56 0.97 -0.32 1.72 5.08 -0.88 -0.82 114.58 120.89 2omd h GLU 68 Ca 0.14 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2omd h GLU 68 Cb 0.22 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2omd h GLU 68 CO -0.01 0.83 0.14 -0.22 -1.00 0.00 0.00 179.01 178.76 2omd h LYS 69 N 0.94 0.46 -0.81 2.33 3.64 -0.94 -1.60 116.57 120.60 2omd h LYS 69 Ca 0.21 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2omd h LYS 69 Cb 0.26 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2omd h LYS 69 CO -0.01 0.44 0.39 0.82 -2.27 0.00 0.00 179.45 178.82 2omd h ILE 70 N 0.37 1.25 -0.11 2.00 2.04 -0.80 -1.26 117.51 121.01 2omd h ILE 70 Ca 0.11 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.27 2omd h ILE 70 Cb 0.14 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2omd h ILE 70 CO -0.01 0.30 0.04 -0.09 0.00 0.00 0.00 178.15 178.39 2omd h ARG 71 N 1.14 0.09 -0.78 2.37 2.43 -0.85 -0.15 114.38 118.64 2omd h ARG 71 Ca 0.28 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.46 2omd h ARG 71 Cb 0.12 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2omd h ARG 71 CO -0.03 0.06 0.51 1.96 -1.51 0.00 0.00 179.97 180.95 2omd h GLN 72 N 0.09 0.99 -0.58 0.20 1.08 -1.02 -1.93 115.11 113.94 2omd h GLN 72 Ca 0.05 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2omd h GLN 72 Cb 0.02 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.20 2omd h GLN 72 CO -0.05 0.66 0.38 0.93 -0.95 0.00 0.00 178.83 179.80 2omd h GLU 73 N 1.02 0.75 -0.12 1.46 5.08 -0.83 -1.29 114.58 120.66 2omd h GLU 73 Ca 0.29 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2omd h GLU 73 Cb -0.08 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2omd h GLU 73 CO -0.08 0.50 0.08 1.15 -1.00 0.00 0.00 179.01 179.66 2omd h THR 74 N 0.77 1.03 -0.28 1.13 2.02 -0.51 0.11 112.91 117.18 2omd h THR 74 Ca 0.21 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 2omd h THR 74 Cb -0.08 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2omd h THR 74 CO -0.05 0.03 0.17 0.40 0.37 0.00 0.00 175.52 176.44 2omd h ILE 75 N 0.15 1.10 0.03 3.11 2.04 -1.21 -1.84 117.51 120.89 2omd h ILE 75 Ca 0.04 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 2omd h ILE 75 Cb -0.01 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2omd h ILE 75 CO -0.01 0.09 -0.01 -0.33 0.00 0.00 0.00 178.15 177.89 2omd h GLU 76 N 0.35 -0.04 -0.22 2.37 5.08 -1.06 -0.12 114.58 120.95 2omd h GLU 76 Ca 0.10 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 2omd h GLU 76 Cb 0.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2omd h GLU 76 CO -0.02 0.25 -0.23 -0.22 -1.00 0.00 0.00 179.01 177.79 2omd h LYS 77 N -0.33 0.40 -0.00 2.33 3.64 -0.79 -3.30 116.57 118.51 2omd h LYS 77 Ca -0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2omd h LYS 77 Cb 0.31 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2omd h LYS 77 CO 0.01 0.61 -0.58 1.19 -2.27 0.00 0.00 179.45 178.41 2omd n PHE 78 N -4.15 0.00 -2.08 1.91 3.72 -0.70 -5.01 117.46 111.16 2omd n PHE 78 Ca -0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2omd n PHE 78 Cb 0.38 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.90 2omd n PHE 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2omd n GLY 79 N 1.28 0.13 3.90 1.37 0.00 -0.06 -4.88 105.19 106.92 2omd n GLY 79 Ca 0.03 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 2omd n GLY 79 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2omd s VAL 80 N -2.60 4.22 0.02 1.61 -7.23 -1.22 -4.78 120.40 110.42 2omd s VAL 80 Ca 0.00 0.27 -0.06 0.00 -1.81 0.00 0.00 61.98 60.38 2omd s VAL 80 Cb 0.00 -3.66 -0.30 0.00 0.56 0.00 0.00 36.38 32.98 2omd s VAL 80 CO 0.00 -0.73 0.92 0.11 -0.31 0.00 0.00 175.10 175.09 2omd h LYS 81 N -0.13 0.32 -2.98 4.82 6.56 -0.98 -3.45 116.57 120.73 2omd h LYS 81 Ca -0.46 -0.55 -0.10 0.00 -1.06 0.00 0.00 60.65 58.48 2omd h LYS 81 Cb 1.23 0.21 -0.19 0.00 -0.57 0.00 0.00 32.23 32.90 2omd h LYS 81 CO 0.62 1.22 -0.20 -2.00 -2.06 0.00 0.00 179.45 177.02 2omd s GLU 82 N -2.62 0.77 -0.09 3.15 2.56 -1.02 -5.01 118.70 116.45 2omd s GLU 82 Ca -0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 54.97 54.62 2omd s GLU 82 Cb 0.06 0.34 0.04 0.00 2.00 0.00 0.00 34.13 36.58 2omd s GLU 82 CO 0.88 -0.23 0.20 0.08 -0.56 0.00 0.00 175.26 175.62 2omd s VAL 83 N -1.68 -0.06 -0.08 3.70 1.01 -1.26 -0.67 120.40 121.35 2omd s VAL 83 Ca -0.11 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 2omd s VAL 83 Cb -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 2omd s VAL 83 CO 0.03 0.07 -0.06 -0.36 0.00 0.00 0.00 175.10 174.78 2omd s PHE 84 N 1.29 2.97 -0.22 5.22 0.08 0.40 -4.81 117.98 122.90 2omd s PHE 84 Ca -0.09 -0.02 -0.04 0.00 0.12 0.00 0.00 56.93 56.91 2omd s PHE 84 Cb -0.11 -1.76 0.07 0.00 -0.57 0.00 0.00 43.02 40.66 2omd s PHE 84 CO -0.07 0.28 0.08 0.42 -0.10 0.00 0.00 175.22 175.83 2omd s ILE 85 N -0.62 0.23 0.09 0.64 1.01 0.26 -1.61 121.20 121.19 2omd s ILE 85 Ca 0.10 -0.58 0.09 0.00 0.00 0.00 0.00 60.65 60.25 2omd s ILE 85 Cb -0.12 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 2omd s ILE 85 CO 0.02 -0.42 -0.23 -1.00 0.00 0.00 0.00 174.94 173.31 2omd s HIS 86 N 1.98 1.99 -0.14 3.97 3.76 0.46 -2.05 115.29 125.27 2omd s HIS 86 Ca 0.04 -0.40 -0.14 0.00 -0.15 0.00 0.00 55.06 54.41 2omd s HIS 86 Cb -0.16 -1.13 0.04 0.00 1.11 0.00 0.00 32.58 32.44 2omd s HIS 86 CO -0.17 0.20 0.39 -1.58 -0.85 0.00 0.00 174.74 172.72 2omd s HIS 87 N -0.99 -0.42 0.42 1.40 5.04 -0.51 -0.43 115.29 119.79 2omd s HIS 87 Ca 0.09 1.00 -0.08 0.00 -1.54 0.00 0.00 55.06 54.53 2omd s HIS 87 Cb -0.10 0.15 -0.05 0.00 0.04 0.00 0.00 32.58 32.62 2omd s HIS 87 CO 0.04 -0.22 0.74 1.03 -2.34 0.00 0.00 174.74 173.99 2omd s ARG 88 N 0.10 3.67 0.22 2.88 0.52 0.07 -2.82 118.95 123.58 2omd s ARG 88 Ca -0.01 0.30 0.11 0.00 -0.52 0.00 0.00 55.73 55.61 2omd s ARG 88 Cb -0.03 -2.42 -0.05 0.00 0.52 0.00 0.00 34.95 32.97 2omd s ARG 88 CO 0.01 -0.06 -0.21 -0.51 0.02 0.00 0.00 175.30 174.55 2omd s LEU 89 N -4.13 2.50 0.00 2.53 1.43 -0.19 -4.81 118.68 116.01 2omd s LEU 89 Ca 0.49 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2omd s LEU 89 Cb -0.10 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.05 2omd s LEU 89 CO 0.36 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.60 2omd n GLY 90 N -0.07 -1.79 3.71 -3.19 0.00 0.14 -4.31 105.19 99.69 2omd n GLY 90 Ca -0.10 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 2omd n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2omd s LEU 91 N 0.00 4.32 -0.17 0.99 1.43 -1.26 -1.16 118.68 122.83 2omd s LEU 91 Ca 0.00 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 2omd s LEU 91 Cb 0.00 -3.19 0.04 0.00 0.03 0.00 0.00 46.19 43.07 2omd s LEU 91 CO 0.00 -0.16 -0.09 -0.69 0.23 0.00 0.00 176.35 175.64 2omd s VAL 92 N 0.92 1.37 0.61 -1.59 1.01 0.23 -4.98 120.40 117.98 2omd s VAL 92 Ca 0.40 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 2omd s VAL 92 Cb -0.18 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2omd s VAL 92 CO 0.20 0.21 1.18 -0.54 0.00 0.00 0.00 175.10 176.15 2omd s LYS 93 N 1.53 2.94 0.25 2.72 1.02 -1.26 -1.13 119.74 125.80 2omd s LYS 93 Ca 0.01 1.73 -0.30 0.00 0.02 0.00 0.00 55.97 57.43 2omd s LYS 93 Cb -0.15 -1.94 -0.14 0.00 -0.52 0.00 0.00 37.83 35.08 2omd s LYS 93 CO -0.08 -1.21 1.23 -0.89 -0.92 0.00 0.00 175.35 173.48 2omd n ILE 94 N -1.74 1.32 0.00 2.17 2.08 -1.16 -1.72 119.36 120.30 2omd n ILE 94 Ca 0.13 -0.33 0.00 0.00 0.56 0.00 0.00 62.75 63.11 2omd n ILE 94 Cb 0.50 -1.21 0.00 0.00 -0.75 0.00 0.00 39.64 38.18 2omd n ILE 94 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2omd n GLY 95 N 1.71 3.05 3.68 7.39 0.00 -0.92 -5.00 105.19 115.11 2omd n GLY 95 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2omd n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2omd s GLU 96 N -0.71 4.14 0.30 1.61 0.41 -0.70 -4.95 118.70 118.80 2omd s GLU 96 Ca 0.00 -0.11 -0.30 0.00 -0.41 0.00 0.00 54.97 54.16 2omd s GLU 96 Cb 0.00 -3.51 -0.12 0.00 -1.78 0.00 0.00 34.13 28.72 2omd s GLU 96 CO 0.00 0.09 1.44 -2.30 -0.49 0.00 0.00 175.26 174.01 2omd n PRO 97 N 4.14 2.35 -0.00 0.39 -0.02 -1.26 -4.05 135.00 136.55 2omd n PRO 97 Ca -0.13 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2omd n PRO 97 Cb 0.52 -2.52 -0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2omd n PRO 97 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2omd n SER 98 N 1.56 1.41 -3.82 2.55 3.41 -0.26 -4.90 113.62 113.56 2omd n SER 98 Ca 0.07 -0.36 -0.15 0.00 -0.26 0.00 0.00 58.87 58.17 2omd n SER 98 Cb 0.35 1.00 -0.16 0.00 -0.26 0.00 0.00 64.21 65.15 2omd n SER 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2omd s PHE 99 N -1.28 0.16 -0.02 7.33 5.36 -1.02 -0.75 117.98 127.75 2omd s PHE 99 Ca 0.00 0.04 0.01 0.00 -0.96 0.00 0.00 56.93 56.02 2omd s PHE 99 Cb 0.00 -0.26 0.02 0.00 -0.34 0.00 0.00 43.02 42.43 2omd s PHE 99 CO 0.00 -0.08 -0.02 -1.17 -1.46 0.00 0.00 175.22 172.49 2omd s LEU 100 N 0.78 1.40 -0.05 6.12 0.20 0.42 -0.19 118.68 127.36 2omd s LEU 100 Ca -0.07 -0.05 -0.00 0.00 0.69 0.00 0.00 54.13 54.69 2omd s LEU 100 Cb -0.10 -0.25 0.03 0.00 -0.43 0.00 0.00 46.19 45.44 2omd s LEU 100 CO -0.02 -0.06 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.29 2omd s VAL 101 N 0.73 0.35 -0.12 1.68 1.01 -0.63 -0.40 120.40 123.01 2omd s VAL 101 Ca -0.08 0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2omd s VAL 101 Cb -0.11 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.82 2omd s VAL 101 CO -0.01 0.22 -0.14 -0.22 0.00 0.00 0.00 175.10 174.95 2omd s LEU 102 N 1.53 1.67 -0.07 3.92 2.96 -0.63 -0.53 118.68 127.54 2omd s LEU 102 Ca -0.02 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 2omd s LEU 102 Cb -0.13 -1.09 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 2omd s LEU 102 CO -0.03 -0.01 -0.13 0.00 -1.32 0.00 0.00 176.35 174.86 2omd s ALA 103 N 1.15 2.72 -0.12 5.97 0.00 -0.58 -0.45 121.76 130.44 2omd s ALA 103 Ca -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2omd s ALA 103 Cb -0.14 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 21.92 2omd s ALA 103 CO -0.04 0.49 -0.15 0.08 0.00 0.00 0.00 175.76 176.14 2omd s VAL 104 N -0.51 1.52 0.23 0.00 1.01 0.15 -1.58 120.40 121.21 2omd s VAL 104 Ca 0.07 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 2omd s VAL 104 Cb -0.12 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.86 2omd s VAL 104 CO 0.02 0.45 0.33 0.61 0.00 0.00 0.00 175.10 176.51 2omd n GLY 105 N 4.41 2.34 0.09 4.51 0.00 -0.64 -0.26 105.19 115.64 2omd n GLY 105 Ca -0.18 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 2omd n GLY 105 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2omd h GLY 106 N 1.25 -0.10 -2.27 -0.02 0.00 -1.86 -1.19 103.07 98.89 2omd h GLY 106 Ca -0.18 0.04 -0.42 0.00 0.00 0.00 0.00 47.33 46.77 2omd h GLY 106 CO 0.24 -0.04 -0.64 0.30 0.00 0.00 0.00 176.54 176.41 2omd s HIS 107 N -4.69 1.74 0.12 5.60 3.76 -1.26 -1.88 115.29 118.67 2omd s HIS 107 Ca -0.15 -0.94 -0.32 0.00 -0.15 0.00 0.00 55.06 53.49 2omd s HIS 107 Cb 0.03 -1.06 -0.10 0.00 1.11 0.00 0.00 32.58 32.56 2omd s HIS 107 CO 0.64 -0.03 1.56 0.00 -0.85 0.00 0.00 174.74 176.06 2omd h ARG 108 N 2.32 -0.54 -0.11 1.40 3.08 -1.91 -2.88 114.38 115.74 2omd h ARG 108 Ca -0.39 0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.70 2omd h ARG 108 Cb 1.23 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 2omd h ARG 108 CO 0.66 -0.36 -0.06 0.39 -1.07 0.00 0.00 179.97 179.53 2omd n GLU 109 N -5.44 -0.05 0.16 0.04 4.71 -1.26 -0.87 120.64 117.93 2omd n GLU 109 Ca -0.05 0.99 0.01 0.00 -0.01 0.00 0.00 57.16 58.09 2omd n GLU 109 Cb 0.38 -1.47 0.32 0.00 -1.01 0.00 0.00 31.44 29.65 2omd n GLU 109 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 2omd h GLU 110 N 0.00 0.08 -0.40 3.49 9.09 -1.90 -2.64 114.58 122.29 2omd h GLU 110 Ca 0.02 -0.03 -0.13 0.00 0.05 0.00 0.00 59.36 59.27 2omd h GLU 110 Cb 0.05 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.13 2omd h GLU 110 CO -0.10 0.44 -0.24 1.15 0.05 0.00 0.00 179.01 180.31 2omd h THR 111 N 0.07 1.28 -0.28 -1.06 2.02 -1.18 0.46 112.91 114.23 2omd h THR 111 Ca 0.01 -1.39 -0.03 0.00 0.77 0.00 0.00 66.41 65.76 2omd h THR 111 Cb 0.69 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 2omd h THR 111 CO 0.05 0.47 0.04 -0.26 0.37 0.00 0.00 175.52 176.19 2omd h PHE 112 N 0.69 0.49 -0.76 3.16 -1.00 -0.94 -1.91 116.94 116.68 2omd h PHE 112 Ca 0.08 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 2omd h PHE 112 Cb 0.81 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 40.20 2omd h PHE 112 CO 0.06 0.57 0.45 0.87 -1.61 0.00 0.00 178.31 178.65 2omd h LYS 113 N 0.27 1.03 -0.05 1.51 1.57 -1.38 -1.67 116.57 117.86 2omd h LYS 113 Ca 0.08 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2omd h LYS 113 Cb 0.35 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2omd h LYS 113 CO 0.01 0.74 0.03 0.00 -0.57 0.00 0.00 179.45 179.65 2omd h ALA 114 N 1.24 0.07 -0.29 3.86 0.00 -0.77 -0.44 119.26 122.93 2omd h ALA 114 Ca 0.27 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2omd h ALA 114 Cb -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2omd h ALA 114 CO -0.05 -0.40 0.15 0.00 0.00 0.00 0.00 179.25 178.95 2omd h ARG 116 N 0.32 1.23 0.24 0.00 9.65 -1.17 -1.51 114.38 123.15 2omd h ARG 116 Ca 0.12 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 2omd h ARG 116 Cb 0.02 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 28.34 2omd h ARG 116 CO -0.07 0.83 -0.11 -0.92 2.80 0.00 0.00 179.97 182.50 2omd h TYR 117 N 1.26 -0.30 -0.91 2.20 3.20 -0.55 0.19 116.97 122.07 2omd h TYR 117 Ca 0.34 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.26 2omd h TYR 117 Cb -0.11 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.19 2omd h TYR 117 CO -0.00 -0.14 0.57 0.00 -1.64 0.00 0.00 178.16 176.96 2omd h ALA 118 N 0.37 1.24 0.27 1.82 0.00 -0.96 0.69 119.26 122.69 2omd h ALA 118 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2omd h ALA 118 Cb 0.29 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2omd h ALA 118 CO 0.05 0.35 -0.13 0.28 0.00 0.00 0.00 179.25 179.80 2omd h VAL 119 N 1.06 0.76 -0.35 0.00 2.07 -1.10 -1.84 116.25 116.85 2omd h VAL 119 Ca 0.39 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2omd h VAL 119 Cb 0.14 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2omd h VAL 119 CO -0.17 0.12 0.23 0.44 0.02 0.00 0.00 177.57 178.21 2omd h ASP 120 N -0.68 0.39 -0.06 0.57 3.32 -0.74 -2.19 116.42 117.02 2omd h ASP 120 Ca -0.04 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 2omd h ASP 120 Cb 0.47 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2omd h ASP 120 CO 0.06 0.28 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.41 2omd h GLU 121 N 0.47 0.38 -0.30 3.56 4.39 -0.93 -2.04 114.58 120.11 2omd h GLU 121 Ca 0.13 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 2omd h GLU 121 Cb -0.05 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2omd h GLU 121 CO -0.03 0.51 -0.12 1.15 -1.16 0.00 0.00 179.01 179.36 2omd h THR 122 N 0.35 1.29 0.00 1.13 2.02 -1.03 -0.37 112.91 116.30 2omd h THR 122 Ca 0.07 -1.20 -0.07 0.00 0.77 0.00 0.00 66.41 65.98 2omd h THR 122 Cb 0.44 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2omd h THR 122 CO 0.02 0.38 -0.31 0.11 0.37 0.00 0.00 175.52 176.10 2omd h LYS 123 N 0.37 0.00 0.22 6.66 1.57 -1.18 -1.01 116.57 123.21 2omd h LYS 123 Ca 0.07 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.51 2omd h LYS 123 Cb 0.63 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.97 2omd h LYS 123 CO 0.04 0.31 -1.60 0.87 -0.57 0.00 0.00 179.45 178.50 2omd h LYS 124 N 0.00 0.47 0.00 3.15 1.57 -1.22 -3.42 116.57 117.12 2omd h LYS 124 Ca -0.00 -0.80 -0.15 0.00 -1.87 0.00 0.00 60.65 57.82 2omd h LYS 124 Cb 0.56 0.30 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 2omd h LYS 124 CO 0.04 1.38 -1.86 0.54 -0.57 0.00 0.00 179.45 178.98 2omd n ARG 125 N -3.65 1.19 -2.70 3.15 1.74 -0.16 -4.98 116.66 111.24 2omd n ARG 125 Ca -0.20 -0.06 -0.43 0.00 -0.77 0.00 0.00 57.85 56.39 2omd n ARG 125 Cb 1.09 -1.36 -0.02 0.00 -1.02 0.00 0.00 32.46 31.14 2omd n ARG 125 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2omd s VAL 126 N -2.63 4.73 -0.90 1.55 1.01 -0.39 -4.95 120.40 118.81 2omd s VAL 126 Ca -0.06 1.96 -0.18 0.00 0.00 0.00 0.00 61.98 63.70 2omd s VAL 126 Cb 0.06 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 32.05 2omd s VAL 126 CO 0.60 -0.13 2.02 -0.81 0.00 0.00 0.00 175.10 176.79 2omd n PRO 127 N 6.01 1.83 -3.89 2.72 -0.04 -1.26 -4.86 135.00 135.51 2omd n PRO 127 Ca 0.10 -1.87 -0.35 0.00 -0.04 0.00 0.00 63.50 61.34 2omd n PRO 127 Cb 0.47 -2.87 -0.14 0.00 -0.04 0.00 0.00 33.50 30.92 2omd n PRO 127 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2omd s ILE 128 N 4.41 3.30 -0.09 0.52 1.01 -1.26 -4.56 121.20 124.53 2omd s ILE 128 Ca 0.53 -0.85 -0.22 0.00 0.00 0.00 0.00 60.65 60.11 2omd s ILE 128 Cb 0.14 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 2omd s ILE 128 CO 0.06 0.19 0.64 0.26 0.00 0.00 0.00 174.94 176.09 2omd s TRP 129 N 1.40 3.54 0.04 3.97 0.52 0.20 -4.88 118.94 123.74 2omd s TRP 129 Ca 0.02 1.13 0.05 0.00 0.02 0.00 0.00 56.10 57.31 2omd s TRP 129 Cb -0.17 -2.75 -0.04 0.00 -1.15 0.00 0.00 33.47 29.37 2omd s TRP 129 CO -0.02 0.07 -0.08 -1.59 0.02 0.00 0.00 176.95 175.36 2omd s LYS 130 N 0.90 2.40 -0.02 4.98 -2.85 -1.26 -1.34 119.74 122.55 2omd s LYS 130 Ca 0.34 -0.84 0.00 0.00 -1.00 0.00 0.00 55.97 54.47 2omd s LYS 130 Cb -0.17 -2.43 0.03 0.00 -2.06 0.00 0.00 37.83 33.20 2omd s LYS 130 CO 0.15 0.56 0.02 0.21 0.10 0.00 0.00 175.35 176.40 2omd s LYS 131 N -1.73 0.01 -0.04 1.78 2.20 -0.24 -4.96 119.74 116.76 2omd s LYS 131 Ca 0.19 0.16 -0.29 0.00 -0.36 0.00 0.00 55.97 55.67 2omd s LYS 131 Cb -0.11 -0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 35.93 2omd s LYS 131 CO 0.10 -0.15 0.94 -1.21 -0.36 0.00 0.00 175.35 174.67 2omd s GLU 132 N 0.96 4.51 -0.48 4.03 2.02 -1.26 -0.30 118.70 128.18 2omd s GLU 132 Ca -0.08 1.32 -0.14 0.00 0.02 0.00 0.00 54.97 56.09 2omd s GLU 132 Cb -0.12 -3.48 0.10 0.00 0.10 0.00 0.00 34.13 30.73 2omd s GLU 132 CO -0.03 -0.09 0.39 0.42 0.02 0.00 0.00 175.26 175.97 2omd s ILE 133 N 1.21 4.89 0.51 -1.63 -1.09 0.12 -4.95 121.20 120.27 2omd s ILE 133 Ca 0.49 -1.35 -0.19 0.00 -2.23 0.00 0.00 60.65 57.37 2omd s ILE 133 Cb -0.20 -4.04 -0.08 0.00 -1.58 0.00 0.00 42.46 36.57 2omd s ILE 133 CO 0.24 -0.67 1.03 -0.36 -1.23 0.00 0.00 174.94 173.94 2omd s PHE 134 N 1.55 3.08 0.62 3.97 0.08 -1.26 0.28 117.98 126.30 2omd s PHE 134 Ca 0.04 1.55 -0.12 0.00 0.12 0.00 0.00 56.93 58.52 2omd s PHE 134 Cb -0.26 -2.99 -0.03 0.00 -0.57 0.00 0.00 43.02 39.16 2omd s PHE 134 CO 0.04 -0.76 1.03 0.15 -0.10 0.00 0.00 175.22 175.58 2omd s LYS 135 N -3.53 3.48 0.47 0.44 1.02 0.63 -4.60 119.74 117.65 2omd s LYS 135 Ca 0.65 0.84 -0.24 0.00 0.02 0.00 0.00 55.97 57.23 2omd s LYS 135 Cb -0.15 -2.06 -0.07 0.00 -0.52 0.00 0.00 37.83 35.03 2omd s LYS 135 CO 0.25 -0.66 1.39 -1.83 -0.92 0.00 0.00 175.35 173.57 2omd s GLU 136 N -4.97 3.57 0.00 1.68 -1.05 -1.26 -3.47 118.70 113.20 2omd s GLU 136 Ca 0.56 2.32 0.00 0.00 -0.15 0.00 0.00 54.97 57.70 2omd s GLU 136 Cb -0.12 -2.55 0.00 0.00 -0.44 0.00 0.00 34.13 31.02 2omd s GLU 136 CO 0.51 -0.88 0.00 0.41 0.95 0.00 0.00 175.26 176.25 2omd n GLY 137 N 0.62 0.96 0.31 -3.83 0.00 -1.26 -4.99 105.19 97.02 2omd n GLY 137 Ca 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.06 2omd n GLY 137 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2omd h LYS 138 N 1.41 0.68 0.00 1.61 3.64 -1.91 -1.81 116.57 120.19 2omd h LYS 138 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2omd h LYS 138 Cb 0.00 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2omd h LYS 138 CO 0.00 0.49 0.00 0.41 -2.27 0.00 0.00 179.45 178.08 2omd n GLY 139 N -1.33 -0.55 0.12 5.01 0.00 -1.26 -2.15 105.19 105.02 2omd n GLY 139 Ca 0.04 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2omd n GLY 139 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2omd h GLU 140 N 0.00 0.00 -0.04 1.61 5.08 -1.70 -3.37 114.58 116.17 2omd h GLU 140 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 2omd h GLU 140 Cb 0.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2omd h GLU 140 CO 0.00 0.00 -0.89 -1.49 -1.00 0.00 0.00 179.01 175.63 2omd h TRP 141 N 0.00 0.75 -3.72 4.33 4.06 -1.61 -3.41 115.95 116.35 2omd h TRP 141 Ca 0.00 -0.38 -0.64 0.00 2.06 0.00 0.00 58.89 59.93 2omd h TRP 141 Cb 0.84 -0.10 -0.38 0.00 -1.00 0.00 0.00 29.16 28.53 2omd h TRP 141 CO 0.00 1.19 -0.78 0.08 -3.56 0.00 0.00 178.44 175.37 2omd s VAL 142 N -3.42 1.88 -0.16 1.49 1.01 -1.26 -5.09 120.40 114.86 2omd s VAL 142 Ca -0.07 -1.58 -0.01 0.00 0.00 0.00 0.00 61.98 60.32 2omd s VAL 142 Cb 0.09 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 2omd s VAL 142 CO 0.88 -0.18 -0.11 -0.22 0.00 0.00 0.00 175.10 175.47 2omd s LEU 143 N 1.21 2.76 0.00 3.92 2.96 -1.26 -4.95 118.68 123.31 2omd s LEU 143 Ca -0.04 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 2omd s LEU 143 Cb -0.19 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.85 2omd s LEU 143 CO -0.07 0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.68 2omd n GLY 144 N 3.89 6.08 0.00 7.98 0.00 -1.26 -5.21 105.19 116.67 2omd n GLY 144 Ca -0.18 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.14 2omd n GLY 144 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50