#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrm n PRO -1 N 0.00 0.05 -0.71 1.61 -0.04 -1.26 -1.96 135.00 132.68 1wrm n PRO -1 Ca 0.00 0.47 0.05 0.00 -0.04 0.00 0.00 63.50 63.98 1wrm n PRO -1 Cb 0.00 -1.63 0.08 0.00 -0.04 0.00 0.00 33.50 31.90 1wrm n PRO -1 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1wrm n MET 1 N -1.73 0.60 -0.27 0.54 2.81 -1.26 -4.86 117.12 112.95 1wrm n MET 1 Ca 0.01 -2.10 0.04 0.00 -1.81 0.00 0.00 57.70 53.83 1wrm n MET 1 Cb 0.06 -0.80 -0.01 0.00 -0.71 0.00 0.00 33.22 31.76 1wrm n MET 1 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wrm n GLY 2 N -0.39 -2.07 0.44 3.03 0.00 -0.83 -4.63 105.19 100.74 1wrm n GLY 2 Ca 0.09 -1.41 0.07 0.00 0.00 0.00 0.00 46.02 44.78 1wrm n GLY 2 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wrm n ASN 3 N -1.31 1.76 0.00 1.61 2.04 -1.26 -4.58 115.26 113.52 1wrm n ASN 3 Ca 0.00 -3.21 0.00 0.00 -0.44 0.00 0.00 54.58 50.93 1wrm n ASN 3 Cb 0.12 -0.44 0.00 0.00 -2.53 0.00 0.00 39.78 36.94 1wrm n ASN 3 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1wrm n GLY 4 N -1.01 2.91 3.77 4.83 0.00 -1.26 -5.05 105.19 109.37 1wrm n GLY 4 Ca 0.15 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 1wrm n GLY 4 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wrm s MET 5 N -2.05 4.37 -0.04 1.61 0.23 -1.26 -4.80 119.30 117.36 1wrm s MET 5 Ca 0.00 2.10 0.06 0.00 -1.03 0.00 0.00 55.69 56.83 1wrm s MET 5 Cb 0.00 -3.05 -0.02 0.00 -1.53 0.00 0.00 34.83 30.23 1wrm s MET 5 CO 0.00 -0.13 -0.23 -0.80 -2.03 0.00 0.00 175.02 171.83 1wrm s ASN 6 N -0.62 3.30 -0.02 -1.18 0.01 0.45 -4.91 114.94 111.97 1wrm s ASN 6 Ca 0.49 -0.42 -0.30 0.00 -0.71 0.00 0.00 52.86 51.91 1wrm s ASN 6 Cb -0.37 -0.68 -0.04 0.00 0.41 0.00 0.00 41.25 40.56 1wrm s ASN 6 CO 0.49 0.29 1.24 -0.75 -1.51 0.00 0.00 177.10 176.86 1wrm s LYS 7 N -0.43 4.36 -0.24 -0.60 2.20 -1.26 -1.51 119.74 122.26 1wrm s LYS 7 Ca 0.04 1.75 0.01 0.00 -0.36 0.00 0.00 55.97 57.41 1wrm s LYS 7 Cb -0.12 -3.51 -0.15 0.00 -1.51 0.00 0.00 37.83 32.54 1wrm s LYS 7 CO 0.01 -0.43 -0.22 -0.89 -0.36 0.00 0.00 175.35 173.46 1wrm n ILE 8 N 4.47 1.38 -4.02 5.43 2.08 0.11 -4.66 119.36 124.16 1wrm n ILE 8 Ca 0.11 -0.51 -0.09 0.00 0.56 0.00 0.00 62.75 62.81 1wrm n ILE 8 Cb 0.46 -1.39 -0.08 0.00 -0.75 0.00 0.00 39.64 37.88 1wrm n ILE 8 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1wrm s LEU 9 N -6.48 1.36 0.25 1.39 1.43 -1.11 -4.91 118.68 110.61 1wrm s LEU 9 Ca -0.33 -0.96 -0.31 0.00 -1.03 0.00 0.00 54.13 51.51 1wrm s LEU 9 Cb 0.09 0.83 -0.13 0.00 0.03 0.00 0.00 46.19 47.01 1wrm s LEU 9 CO 0.55 -0.81 1.45 -2.65 0.23 0.00 0.00 176.35 175.12 1wrm n PRO 10 N -0.14 2.20 -1.27 1.29 -0.02 -1.26 -0.91 135.00 134.89 1wrm n PRO 10 Ca -0.08 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.09 1wrm n PRO 10 Cb 0.63 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 1wrm n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wrm n GLY 11 N 2.14 1.04 2.66 -1.23 0.00 -1.26 -4.98 105.19 103.56 1wrm n GLY 11 Ca 0.11 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 1wrm n GLY 11 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wrm s LEU 12 N -2.15 0.19 0.27 0.99 2.96 -0.08 -0.53 118.68 120.34 1wrm s LEU 12 Ca 0.00 -0.16 0.12 0.00 -0.22 0.00 0.00 54.13 53.87 1wrm s LEU 12 Cb 0.00 -0.14 -0.05 0.00 0.50 0.00 0.00 46.19 46.50 1wrm s LEU 12 CO 0.00 -0.29 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.24 1wrm s TYR 13 N 2.17 2.25 -0.00 5.38 1.51 0.60 0.10 117.35 129.35 1wrm s TYR 13 Ca 0.04 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.79 1wrm s TYR 13 Cb -0.13 -0.98 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 1wrm s TYR 13 CO -0.05 0.69 -0.12 0.42 -1.11 0.00 0.00 175.55 175.38 1wrm s ILE 14 N -2.53 0.93 0.15 2.71 1.01 -0.57 -0.29 121.20 122.61 1wrm s ILE 14 Ca 0.29 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 1wrm s ILE 14 Cb -0.05 -0.78 0.02 0.00 0.01 0.00 0.00 42.46 41.66 1wrm s ILE 14 CO 0.14 0.23 0.28 0.61 0.00 0.00 0.00 174.94 176.20 1wrm n GLY 15 N 2.71 1.92 4.00 6.18 0.00 -1.09 -0.41 105.19 118.51 1wrm n GLY 15 Ca -0.14 -1.21 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 1wrm n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wrm s ASN 16 N -1.83 5.01 0.50 1.61 2.20 -1.26 -3.43 114.94 117.74 1wrm s ASN 16 Ca 0.08 -0.93 0.16 0.00 -0.94 0.00 0.00 52.86 51.23 1wrm s ASN 16 Cb -0.01 0.29 1.21 0.00 -2.00 0.00 0.00 41.25 40.74 1wrm s ASN 16 CO 0.06 -1.26 2.09 2.19 -2.94 0.00 0.00 177.10 177.24 1wrm h PHE 17 N 0.33 0.11 -0.09 1.54 -5.15 -0.65 -2.02 116.94 111.02 1wrm h PHE 17 Ca -0.32 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.41 1wrm h PHE 17 Cb 1.29 -0.04 -0.00 0.00 0.22 0.00 0.00 35.95 37.42 1wrm h PHE 17 CO 0.56 0.06 -0.13 -0.22 -2.00 0.00 0.00 178.31 176.58 1wrm h LYS 18 N 0.12 0.25 -0.60 6.09 3.64 -1.89 -3.00 116.57 121.18 1wrm h LYS 18 Ca 0.09 -0.15 0.11 0.00 -1.27 0.00 0.00 60.65 59.43 1wrm h LYS 18 Cb 0.23 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1wrm h LYS 18 CO -0.01 0.72 0.40 -0.44 -2.27 0.00 0.00 179.45 177.85 1wrm h ASP 19 N -0.19 0.33 0.42 4.20 3.32 -1.77 0.18 116.42 122.91 1wrm h ASP 19 Ca 0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1wrm h ASP 19 Cb 0.69 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1wrm h ASP 19 CO 0.03 0.20 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 1wrm h ALA 20 N 1.70 1.00 -0.01 3.45 0.00 -1.24 -1.62 119.26 122.53 1wrm h ALA 20 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1wrm h ALA 20 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1wrm h ALA 20 CO -0.07 0.00 -0.38 0.54 0.00 0.00 0.00 179.25 179.34 1wrm n ARG 21 N -2.41 1.87 -2.17 0.00 1.74 0.02 -4.90 116.66 110.81 1wrm n ARG 21 Ca 0.00 -0.62 -0.32 0.00 -0.77 0.00 0.00 57.85 56.14 1wrm n ARG 21 Cb 0.15 -1.22 -0.04 0.00 -1.02 0.00 0.00 32.46 30.32 1wrm n ARG 21 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wrm s ASP 22 N -1.89 5.48 0.22 0.55 -1.08 -0.61 -4.85 116.67 114.48 1wrm s ASP 22 Ca 0.11 -0.63 -0.07 0.00 -0.52 0.00 0.00 52.55 51.44 1wrm s ASP 22 Cb 0.12 -2.56 0.33 0.00 -1.46 0.00 0.00 42.92 39.35 1wrm s ASP 22 CO 0.41 -2.40 1.77 0.00 0.52 0.00 0.00 175.17 175.48 1wrm h ALA 23 N 11.58 0.95 -0.33 3.66 0.00 -1.90 0.45 119.26 133.67 1wrm h ALA 23 Ca 0.03 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1wrm h ALA 23 Cb 1.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1wrm h ALA 23 CO 1.26 -0.07 -0.21 0.93 0.00 0.00 0.00 179.25 181.16 1wrm h GLU 24 N 0.58 0.72 -0.58 0.00 5.08 -1.98 0.19 114.58 118.59 1wrm h GLU 24 Ca 0.34 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1wrm h GLU 24 Cb 0.37 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1wrm h GLU 24 CO -0.27 0.95 0.08 0.37 -1.00 0.00 0.00 179.01 179.14 1wrm h GLN 25 N 0.49 0.95 -0.40 2.33 4.15 -1.82 0.20 115.11 121.01 1wrm h GLN 25 Ca 0.07 -0.24 -0.15 0.00 0.77 0.00 0.00 58.65 59.10 1wrm h GLN 25 Cb 0.76 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 1wrm h GLN 25 CO 0.06 0.89 -0.34 -0.07 -1.93 0.00 0.00 178.83 177.44 1wrm h LEU 26 N 0.89 0.98 -0.00 -2.39 3.38 0.10 -2.11 115.31 116.16 1wrm h LEU 26 Ca 0.18 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1wrm h LEU 26 Cb 0.41 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1wrm h LEU 26 CO 0.01 1.22 0.00 0.28 0.09 0.00 0.00 178.44 180.04 1wrm h SER 27 N 0.77 0.01 -0.78 -0.43 0.02 -0.20 -0.10 113.55 112.85 1wrm h SER 27 Ca 0.07 -0.26 0.07 0.00 -0.84 0.00 0.00 61.79 60.84 1wrm h SER 27 Cb 0.92 -0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.40 1wrm h SER 27 CO 0.09 0.27 0.45 0.50 -1.14 0.00 0.00 176.83 176.99 1wrm h LYS 28 N -0.25 0.77 -0.10 3.45 3.64 -0.61 -1.01 116.57 122.45 1wrm h LYS 28 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1wrm h LYS 28 Cb 0.27 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1wrm h LYS 28 CO 0.00 0.51 0.00 0.09 -2.27 0.00 0.00 179.45 177.78 1wrm n ASN 29 N -4.73 1.17 -3.97 4.20 5.03 -0.80 -4.93 115.26 111.23 1wrm n ASN 29 Ca 0.11 -1.58 -0.30 0.00 0.87 0.00 0.00 54.58 53.68 1wrm n ASN 29 Cb 0.22 -0.06 0.01 0.00 -1.02 0.00 0.00 39.78 38.93 1wrm n ASN 29 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1wrm n LYS 30 N -0.02 -4.79 -2.55 3.52 5.02 -0.34 -4.79 118.16 114.20 1wrm n LYS 30 Ca 0.16 0.54 -0.43 0.00 -2.02 0.00 0.00 58.31 56.56 1wrm n LYS 30 Cb 0.26 -5.30 -0.02 0.00 -0.02 0.00 0.00 35.03 29.95 1wrm n LYS 30 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wrm s VAL 31 N -3.38 4.42 -0.10 -0.18 1.01 -0.20 -3.55 120.40 118.43 1wrm s VAL 31 Ca 0.57 1.67 0.01 0.00 0.00 0.00 0.00 61.98 64.23 1wrm s VAL 31 Cb -0.29 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.84 1wrm s VAL 31 CO 0.85 -0.34 0.33 0.35 0.00 0.00 0.00 175.10 176.29 1wrm n THR 32 N 5.72 0.00 -4.40 3.92 -2.24 -0.63 -4.84 114.28 111.81 1wrm n THR 32 Ca 0.13 -0.49 -0.21 0.00 -2.27 0.00 0.00 64.05 61.21 1wrm n THR 32 Cb 0.46 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.55 1wrm n THR 32 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1wrm s HIS 33 N -0.51 0.98 -0.07 4.78 3.76 -1.00 -0.66 115.29 122.58 1wrm s HIS 33 Ca 0.01 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 1wrm s HIS 33 Cb 0.01 -0.71 0.02 0.00 1.11 0.00 0.00 32.58 33.01 1wrm s HIS 33 CO 0.02 -0.12 -0.05 0.42 -0.85 0.00 0.00 174.74 174.17 1wrm s ILE 34 N 0.26 0.69 -0.43 0.60 1.01 -0.07 -0.84 121.20 122.42 1wrm s ILE 34 Ca -0.04 -0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.35 1wrm s ILE 34 Cb -0.09 -0.72 0.08 0.00 0.01 0.00 0.00 42.46 41.74 1wrm s ILE 34 CO 0.01 0.28 0.29 -0.22 0.00 0.00 0.00 174.94 175.30 1wrm s LEU 35 N 1.23 5.29 -0.31 2.97 0.20 0.44 -1.38 118.68 127.12 1wrm s LEU 35 Ca -0.05 -1.55 -0.16 0.00 0.69 0.00 0.00 54.13 53.06 1wrm s LEU 35 Cb -0.14 -2.02 -0.02 0.00 -0.43 0.00 0.00 46.19 43.59 1wrm s LEU 35 CO -0.02 -0.58 0.42 -0.44 -0.29 0.00 0.00 176.35 175.45 1wrm s SER 36 N 2.27 6.26 -0.47 3.68 0.01 0.40 -0.88 113.70 124.97 1wrm s SER 36 Ca 0.03 0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.39 1wrm s SER 36 Cb -0.24 -2.23 0.13 0.00 0.21 0.00 0.00 66.02 63.90 1wrm s SER 36 CO 0.02 -0.32 0.24 0.54 0.41 0.00 0.00 173.24 174.13 1wrm s VAL 37 N 2.17 1.95 0.28 3.43 0.11 0.11 -0.08 120.40 128.37 1wrm s VAL 37 Ca 0.16 -2.87 -0.20 0.00 -2.93 0.00 0.00 61.98 56.13 1wrm s VAL 37 Cb -0.16 -2.37 0.05 0.00 -1.53 0.00 0.00 36.38 32.37 1wrm s VAL 37 CO 0.11 -0.84 0.83 -1.38 -3.33 0.00 0.00 175.10 170.49 1wrm s HIS 38 N 0.10 -0.05 0.21 1.54 -3.43 -1.08 -4.29 115.29 108.29 1wrm s HIS 38 Ca 0.17 -0.45 -0.09 0.00 -0.80 0.00 0.00 55.06 53.89 1wrm s HIS 38 Cb -0.25 0.74 0.30 0.00 -1.43 0.00 0.00 32.58 31.94 1wrm s HIS 38 CO -0.00 -1.23 1.72 -0.44 -2.00 0.00 0.00 174.74 172.79 1wrm h ASP 39 N 2.00 0.10 -0.89 7.38 3.32 -1.81 -2.78 116.42 123.75 1wrm h ASP 39 Ca -0.25 0.10 -0.38 0.00 0.02 0.00 0.00 57.03 56.51 1wrm h ASP 39 Cb 1.24 0.11 -0.23 0.00 0.22 0.00 0.00 39.33 40.68 1wrm h ASP 39 CO 0.31 0.06 0.48 -1.54 -1.72 0.00 0.00 179.24 176.83 1wrm n SER 40 N -5.07 4.25 -4.68 6.45 3.41 -1.26 -4.73 113.62 112.00 1wrm n SER 40 Ca 0.09 -3.44 -0.42 0.00 -0.26 0.00 0.00 58.87 54.84 1wrm n SER 40 Cb 0.31 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.43 1wrm n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wrm s ALA 41 N -3.17 3.68 -0.05 7.33 0.00 -1.06 -4.98 121.76 123.52 1wrm s ALA 41 Ca 0.56 1.38 -0.29 0.00 0.00 0.00 0.00 51.96 53.61 1wrm s ALA 41 Cb 0.46 -3.80 0.09 0.00 0.00 0.00 0.00 23.12 19.88 1wrm s ALA 41 CO 0.12 -1.38 0.78 -0.98 0.00 0.00 0.00 175.76 174.31 1wrm s ARG 42 N 3.50 0.93 0.22 0.00 1.70 -1.26 -4.76 118.95 119.27 1wrm s ARG 42 Ca 0.84 0.06 -0.32 0.00 -0.47 0.00 0.00 55.73 55.84 1wrm s ARG 42 Cb -0.44 0.43 -0.14 0.00 -0.57 0.00 0.00 34.95 34.23 1wrm s ARG 42 CO 0.38 -0.32 1.30 -2.30 -1.08 0.00 0.00 175.30 173.27 1wrm n PRO 43 N 0.54 1.69 0.03 3.89 -0.02 -1.26 -4.92 135.00 134.95 1wrm n PRO 43 Ca -0.15 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1wrm n PRO 43 Cb 0.59 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1wrm n PRO 43 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1wrm n MET 44 N 1.83 0.00 -2.85 -0.52 2.81 -1.26 -5.11 117.12 112.02 1wrm n MET 44 Ca 0.13 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.75 1wrm n MET 44 Cb 0.29 -0.21 -0.01 0.00 -0.71 0.00 0.00 33.22 32.58 1wrm n MET 44 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wrm s LEU 45 N -5.98 3.75 0.57 4.03 1.43 -1.26 -5.09 118.68 116.12 1wrm s LEU 45 Ca 0.00 0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 53.82 1wrm s LEU 45 Cb 0.00 -3.76 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 1wrm s LEU 45 CO 0.00 -0.48 0.97 -1.61 0.23 0.00 0.00 176.35 175.46 1wrm s GLU 46 N -4.51 3.69 -0.25 1.70 2.02 -1.26 -3.89 118.70 116.19 1wrm s GLU 46 Ca 0.46 0.72 0.00 0.00 0.02 0.00 0.00 54.97 56.17 1wrm s GLU 46 Cb -0.10 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.98 1wrm s GLU 46 CO 0.41 -0.42 0.00 0.41 0.02 0.00 0.00 175.26 175.68 1wrm n GLY 47 N -2.32 0.50 2.95 -1.39 0.00 -1.26 -5.00 105.19 98.67 1wrm n GLY 47 Ca 0.05 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1wrm n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wrm s VAL 48 N -1.78 0.79 -0.15 1.61 1.01 -1.25 -4.73 120.40 115.89 1wrm s VAL 48 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 1wrm s VAL 48 Cb 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1wrm s VAL 48 CO 0.00 0.28 0.72 -0.54 0.00 0.00 0.00 175.10 175.55 1wrm s LYS 49 N 0.78 4.30 0.09 2.72 1.02 0.16 -4.92 119.74 123.90 1wrm s LYS 49 Ca -0.13 0.82 0.04 0.00 0.02 0.00 0.00 55.97 56.73 1wrm s LYS 49 Cb -0.15 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.58 1wrm s LYS 49 CO 0.02 -0.18 0.04 0.71 -0.92 0.00 0.00 175.35 175.01 1wrm s TYR 50 N 1.67 3.08 -0.18 3.18 1.51 -1.26 -0.89 117.35 124.46 1wrm s TYR 50 Ca 0.34 0.01 -0.02 0.00 -1.01 0.00 0.00 57.07 56.40 1wrm s TYR 50 Cb -0.17 -1.57 0.05 0.00 -0.11 0.00 0.00 41.96 40.17 1wrm s TYR 50 CO 0.13 0.50 0.02 -1.17 -1.11 0.00 0.00 175.55 173.92 1wrm s LEU 51 N -2.39 1.20 -0.18 -1.29 2.96 -0.48 -4.96 118.68 113.54 1wrm s LEU 51 Ca 0.27 -0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1wrm s LEU 51 Cb -0.12 -0.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.93 1wrm s LEU 51 CO 0.20 -0.28 -0.07 0.00 -1.32 0.00 0.00 176.35 174.89 1wrm s ILE 53 N 0.84 2.11 -0.55 0.00 1.01 0.88 -4.98 121.20 120.51 1wrm s ILE 53 Ca -0.02 -2.17 -0.27 0.00 0.00 0.00 0.00 60.65 58.19 1wrm s ILE 53 Cb -0.15 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 1wrm s ILE 53 CO 0.01 -0.55 1.99 -2.84 0.00 0.00 0.00 174.94 173.55 1wrm s PRO 54 N 1.00 2.58 -0.00 2.79 0.02 -1.25 -2.65 135.00 137.48 1wrm s PRO 54 Ca 0.09 0.90 -0.03 0.00 0.02 0.00 0.00 61.00 61.98 1wrm s PRO 54 Cb -0.19 -4.42 -0.00 0.00 0.02 0.00 0.00 34.50 29.91 1wrm s PRO 54 CO -0.09 -2.77 0.06 0.00 -0.33 0.00 0.00 177.00 173.87 1wrm s ALA 55 N 9.60 -0.13 0.24 -1.55 0.00 -1.19 -4.91 121.76 123.82 1wrm s ALA 55 Ca 0.76 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1wrm s ALA 55 Cb -0.15 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1wrm s ALA 55 CO 0.23 -0.14 0.43 0.00 0.00 0.00 0.00 175.76 176.29 1wrm s ALA 56 N -0.95 3.81 -1.21 0.00 0.00 -1.26 -2.78 121.76 119.37 1wrm s ALA 56 Ca -0.10 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 1wrm s ALA 56 Cb -0.06 -2.00 0.20 0.00 0.00 0.00 0.00 23.12 21.27 1wrm s ALA 56 CO 0.00 0.30 1.58 -3.47 0.00 0.00 0.00 175.76 174.17 1wrm n ASP 57 N -1.02 5.40 -4.01 0.00 2.03 -1.26 -4.68 116.55 113.00 1wrm n ASP 57 Ca -0.05 -3.11 -0.16 0.00 0.52 0.00 0.00 54.79 51.99 1wrm n ASP 57 Cb 0.55 -1.46 -0.14 0.00 -0.72 0.00 0.00 41.12 39.35 1wrm n ASP 57 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1wrm s SER 58 N 1.14 0.84 0.18 1.67 0.15 -1.26 -5.01 113.70 111.41 1wrm s SER 58 Ca 0.38 -0.26 0.12 0.00 0.70 0.00 0.00 55.95 56.89 1wrm s SER 58 Cb 0.03 -0.05 0.65 0.00 -1.71 0.00 0.00 66.02 64.93 1wrm s SER 58 CO 0.01 -0.00 1.36 -0.81 1.20 0.00 0.00 173.24 175.00 1wrm n PRO 59 N 2.45 0.08 0.11 5.44 -0.04 -1.26 0.32 135.00 142.10 1wrm n PRO 59 Ca -0.16 0.57 0.07 0.00 -0.04 0.00 0.00 63.50 63.94 1wrm n PRO 59 Cb 0.57 -1.77 0.01 0.00 -0.04 0.00 0.00 33.50 32.27 1wrm n PRO 59 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1wrm h SER 60 N 0.00 0.00 -2.75 3.54 0.02 -1.94 -3.44 113.55 108.98 1wrm h SER 60 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1wrm h SER 60 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1wrm h SER 60 CO 0.00 0.26 0.98 -1.58 -1.14 0.00 0.00 176.83 175.34 1wrm s GLN 61 N -3.14 4.22 -0.29 3.45 2.00 0.15 -4.97 119.66 121.09 1wrm s GLN 61 Ca 0.01 2.08 -0.27 0.00 -2.00 0.00 0.00 55.36 55.19 1wrm s GLN 61 Cb 0.08 -3.77 0.01 0.00 0.80 0.00 0.00 33.01 30.12 1wrm s GLN 61 CO 0.77 -0.73 0.94 1.21 -0.50 0.00 0.00 175.29 176.98 1wrm s ASN 62 N 2.59 6.86 -0.05 6.67 3.84 -1.26 -4.86 114.94 128.73 1wrm s ASN 62 Ca 0.68 0.97 0.09 0.00 0.21 0.00 0.00 52.86 54.82 1wrm s ASN 62 Cb -0.32 -2.48 -0.14 0.00 -0.55 0.00 0.00 41.25 37.76 1wrm s ASN 62 CO 0.27 -0.71 0.14 0.18 -2.79 0.00 0.00 177.10 174.19 1wrm n LEU 63 N 6.45 0.00 -0.21 3.21 4.77 -1.26 -4.57 117.00 125.39 1wrm n LEU 63 Ca 0.08 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 1wrm n LEU 63 Cb 0.47 0.09 0.42 0.00 -2.33 0.00 0.00 43.42 42.08 1wrm n LEU 63 CO 0.53 0.09 1.21 0.71 -1.33 0.00 0.00 177.39 178.61 1wrm h THR 64 N 0.00 0.86 0.00 -5.08 1.35 -1.94 0.26 112.91 108.36 1wrm h THR 64 Ca -0.10 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1wrm h THR 64 Cb 0.92 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1wrm h THR 64 CO 0.01 0.11 0.00 0.08 -0.25 0.00 0.00 175.52 175.46 1wrm h ARG 65 N 0.60 0.00 -0.18 4.72 0.11 -2.00 -1.65 114.38 115.98 1wrm h ARG 65 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1wrm h ARG 65 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 1wrm h ARG 65 CO -0.15 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.64 1wrm n HIS 66 N -2.60 0.22 0.07 4.08 8.25 0.91 -4.53 115.22 121.62 1wrm n HIS 66 Ca -0.00 -0.12 -0.13 0.00 -0.26 0.00 0.00 57.72 57.21 1wrm n HIS 66 Cb 0.17 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.20 1wrm n HIS 66 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1wrm h PHE 67 N 4.06 -0.10 0.02 4.41 -1.00 -1.06 -1.44 116.94 121.83 1wrm h PHE 67 Ca 0.00 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.79 1wrm h PHE 67 Cb 0.89 0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.46 1wrm h PHE 67 CO 0.11 0.04 -0.12 -0.22 -1.61 0.00 0.00 178.31 176.51 1wrm h LYS 68 N -0.23 -0.21 -0.13 1.51 3.64 -1.80 0.25 116.57 119.61 1wrm h LYS 68 Ca -0.01 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1wrm h LYS 68 Cb 0.19 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1wrm h LYS 68 CO 0.02 -0.14 -0.33 1.05 -2.27 0.00 0.00 179.45 177.78 1wrm h GLU 69 N -0.22 0.26 -0.23 1.90 4.11 -1.84 -0.70 114.58 117.86 1wrm h GLU 69 Ca 0.04 -0.10 -0.08 0.00 0.07 0.00 0.00 59.36 59.28 1wrm h GLU 69 Cb 0.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1wrm h GLU 69 CO -0.10 0.57 -0.16 0.77 0.07 0.00 0.00 179.01 180.16 1wrm h SER 70 N 0.23 0.54 -0.62 3.06 0.02 -0.87 -1.68 113.55 114.23 1wrm h SER 70 Ca 0.03 -0.44 -0.05 0.00 -0.84 0.00 0.00 61.79 60.49 1wrm h SER 70 Cb 0.70 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 1wrm h SER 70 CO 0.05 0.86 0.20 0.40 -1.14 0.00 0.00 176.83 177.20 1wrm h ILE 71 N 0.22 1.24 -0.32 3.27 2.04 -0.26 -1.24 117.51 122.46 1wrm h ILE 71 Ca 0.05 -0.84 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 1wrm h ILE 71 Cb 0.68 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1wrm h ILE 71 CO 0.04 0.33 0.03 0.50 0.00 0.00 0.00 178.15 179.05 1wrm h LYS 72 N 0.96 0.55 0.28 2.37 3.64 -1.06 0.11 116.57 123.41 1wrm h LYS 72 Ca 0.21 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1wrm h LYS 72 Cb 0.28 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1wrm h LYS 72 CO -0.01 0.65 -0.14 0.35 -2.27 0.00 0.00 179.45 178.03 1wrm h PHE 73 N 0.36 -0.37 -0.07 1.91 3.57 -1.07 -1.40 116.94 119.87 1wrm h PHE 73 Ca 0.10 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1wrm h PHE 73 Cb 0.38 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1wrm h PHE 73 CO 0.03 -0.23 0.04 0.82 -2.23 0.00 0.00 178.31 176.75 1wrm h ILE 74 N -0.39 1.05 -0.35 1.41 2.04 -1.20 -2.45 117.51 117.62 1wrm h ILE 74 Ca -0.04 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1wrm h ILE 74 Cb 0.30 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1wrm h ILE 74 CO 0.06 0.04 0.16 -0.74 0.00 0.00 0.00 178.15 177.67 1wrm h HIS 75 N 0.06 0.51 -0.31 1.37 2.76 -0.72 0.20 115.15 119.02 1wrm h HIS 75 Ca 0.03 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 1wrm h HIS 75 Cb 0.03 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 1wrm h HIS 75 CO -0.06 0.45 -0.10 0.93 -1.30 0.00 0.00 177.93 177.84 1wrm h GLU 76 N 0.42 0.51 0.23 5.26 5.08 -1.29 0.37 114.58 125.16 1wrm h GLU 76 Ca 0.12 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1wrm h GLU 76 Cb 0.14 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1wrm h GLU 76 CO -0.01 0.62 -0.11 0.00 -1.00 0.00 0.00 179.01 178.51 1wrm h ARG 78 N -0.52 1.07 0.00 0.00 3.08 -0.60 -1.62 114.38 115.78 1wrm h ARG 78 Ca -0.03 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 1wrm h ARG 78 Cb 0.39 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1wrm h ARG 78 CO 0.05 0.85 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.69 1wrm h LEU 79 N 1.05 0.00 -1.67 3.04 3.38 -0.21 0.14 115.31 121.04 1wrm h LEU 79 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1wrm h LEU 79 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1wrm h LEU 79 CO -0.03 0.04 0.00 0.54 0.09 0.00 0.00 178.44 179.09 1wrm n ARG 80 N -3.78 2.15 -1.23 1.13 1.74 -0.68 -4.89 116.66 111.10 1wrm n ARG 80 Ca -0.03 -1.54 -0.08 0.00 -0.77 0.00 0.00 57.85 55.44 1wrm n ARG 80 Cb 0.14 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 1wrm n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wrm n GLY 81 N 1.04 0.96 3.94 -0.13 0.00 0.04 -5.01 105.19 106.04 1wrm n GLY 81 Ca 0.14 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 1wrm n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wrm s GLU 82 N -2.44 2.71 -0.07 1.61 2.02 -0.81 -5.01 118.70 116.71 1wrm s GLU 82 Ca 0.00 -1.36 0.01 0.00 0.02 0.00 0.00 54.97 53.65 1wrm s GLU 82 Cb 0.00 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.61 1wrm s GLU 82 CO 0.00 -0.20 -0.09 -1.12 0.02 0.00 0.00 175.26 173.87 1wrm s SER 83 N -4.23 4.49 -0.07 -0.19 0.01 -1.23 -3.92 113.70 108.56 1wrm s SER 83 Ca 0.51 -0.07 0.05 0.00 1.31 0.00 0.00 55.95 57.75 1wrm s SER 83 Cb -0.07 -1.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.04 1wrm s SER 83 CO 0.30 0.35 -0.23 0.00 0.41 0.00 0.00 173.24 174.07 1wrm s LEU 85 N -0.04 3.28 -0.21 0.00 2.96 -0.02 -0.29 118.68 124.36 1wrm s LEU 85 Ca -0.07 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.59 1wrm s LEU 85 Cb -0.15 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 1wrm s LEU 85 CO 0.05 0.06 0.02 -0.69 -1.32 0.00 0.00 176.35 174.47 1wrm s VAL 86 N 1.03 4.15 0.08 1.68 1.01 0.61 -0.42 120.40 128.54 1wrm s VAL 86 Ca 0.02 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 1wrm s VAL 86 Cb -0.14 -2.89 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 1wrm s VAL 86 CO 0.02 0.41 0.17 -1.38 0.00 0.00 0.00 175.10 174.32 1wrm s HIS 87 N 1.05 0.18 0.00 5.22 -0.00 -0.06 -2.67 115.29 119.00 1wrm s HIS 87 Ca 0.03 -0.61 0.00 0.00 -0.00 0.00 0.00 55.06 54.48 1wrm s HIS 87 Cb -0.14 -0.08 0.00 0.00 -0.00 0.00 0.00 32.58 32.35 1wrm s HIS 87 CO 0.02 -0.53 0.00 0.00 -0.00 0.00 0.00 174.74 174.23 1wrm h LEU 89 N 0.00 -0.07 0.00 0.00 5.85 -1.88 -2.15 115.31 117.05 1wrm h LEU 89 Ca 0.00 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1wrm h LEU 89 Cb 0.00 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1wrm h LEU 89 CO 0.00 0.62 -0.92 0.00 -0.34 0.00 0.00 178.44 177.80 1wrm n ALA 90 N -2.63 3.70 -2.33 1.25 0.00 -1.26 -1.77 120.51 117.47 1wrm n ALA 90 Ca -0.07 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 52.86 1wrm n ALA 90 Cb 0.27 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1wrm n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wrm n GLY 91 N 1.41 0.03 0.43 0.00 0.00 -1.22 -4.39 105.19 101.45 1wrm n GLY 91 Ca 0.02 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 1wrm n GLY 91 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wrm n VAL 92 N -3.94 0.55 0.01 1.61 0.31 -1.26 -4.57 118.33 111.02 1wrm n VAL 92 Ca -0.09 -0.17 -0.03 0.00 -0.01 0.00 0.00 64.34 64.04 1wrm n VAL 92 Cb 0.58 -1.31 -0.01 0.00 -0.91 0.00 0.00 33.84 32.18 1wrm n VAL 92 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1wrm n SER 93 N -3.18 1.29 0.30 4.52 2.88 -1.26 -0.26 113.62 117.91 1wrm n SER 93 Ca -0.19 0.19 -0.16 0.00 -1.33 0.00 0.00 58.87 57.39 1wrm n SER 93 Cb 0.66 -0.44 -0.08 0.00 -0.75 0.00 0.00 64.21 63.59 1wrm n SER 93 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1wrm h ARG 94 N -0.29 -0.72 -0.78 -1.46 3.08 -1.92 -1.28 114.38 111.02 1wrm h ARG 94 Ca -0.02 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1wrm h ARG 94 Cb 0.36 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 1wrm h ARG 94 CO -0.01 -0.42 0.40 0.66 -1.07 0.00 0.00 179.97 179.53 1wrm h SER 95 N -0.92 0.99 -0.81 7.04 4.64 -1.84 -2.45 113.55 120.21 1wrm h SER 95 Ca -0.08 -0.11 0.04 0.00 -0.47 0.00 0.00 61.79 61.17 1wrm h SER 95 Cb 0.63 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 62.42 1wrm h SER 95 CO 0.13 0.82 0.52 0.58 -0.87 0.00 0.00 176.83 178.01 1wrm h VAL 96 N 1.09 1.11 -0.42 0.95 2.07 -1.80 -1.26 116.25 117.98 1wrm h VAL 96 Ca 0.27 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1wrm h VAL 96 Cb 0.07 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 1wrm h VAL 96 CO -0.04 0.18 0.23 0.74 0.02 0.00 0.00 177.57 178.70 1wrm h THR 97 N 1.00 1.16 -0.54 2.57 2.02 -0.77 0.82 112.91 119.17 1wrm h THR 97 Ca 0.33 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1wrm h THR 97 Cb 0.03 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1wrm h THR 97 CO -0.12 0.17 0.22 -0.07 0.37 0.00 0.00 175.52 176.09 1wrm h LEU 98 N 0.55 0.75 -1.07 2.58 3.38 -1.13 -1.57 115.31 118.79 1wrm h LEU 98 Ca 0.15 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1wrm h LEU 98 Cb 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1wrm h LEU 98 CO -0.02 0.71 -0.18 0.58 0.09 0.00 0.00 178.44 179.62 1wrm h VAL 99 N 0.74 1.24 -0.36 1.22 2.07 -0.90 -1.57 116.25 118.69 1wrm h VAL 99 Ca 0.18 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1wrm h VAL 99 Cb 0.19 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1wrm h VAL 99 CO -0.02 0.35 0.10 0.40 0.02 0.00 0.00 177.57 178.43 1wrm h ILE 100 N 0.41 1.22 -0.89 4.57 2.04 -0.52 0.11 117.51 124.45 1wrm h ILE 100 Ca 0.07 -0.72 0.07 0.00 1.00 0.00 0.00 64.86 65.28 1wrm h ILE 100 Cb 0.55 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 1wrm h ILE 100 CO 0.04 0.25 0.56 0.00 0.00 0.00 0.00 178.15 178.99 1wrm h ALA 101 N 0.94 1.24 -0.17 1.87 0.00 -0.83 -0.50 119.26 121.81 1wrm h ALA 101 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1wrm h ALA 101 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wrm h ALA 101 CO -0.00 0.30 0.02 -0.92 0.00 0.00 0.00 179.25 178.64 1wrm h TYR 102 N 1.00 0.31 -0.65 0.00 3.20 -0.85 -2.47 116.97 117.52 1wrm h TYR 102 Ca 0.39 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.23 1wrm h TYR 102 Cb 0.20 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1wrm h TYR 102 CO -0.03 0.47 0.42 0.82 -1.64 0.00 0.00 178.16 178.20 1wrm h ILE 103 N 0.06 1.15 -0.63 1.81 2.04 -0.37 -1.59 117.51 119.99 1wrm h ILE 103 Ca 0.05 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.64 1wrm h ILE 103 Cb 0.33 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1wrm h ILE 103 CO 0.00 0.16 0.41 0.24 0.00 0.00 0.00 178.15 178.97 1wrm h MET 104 N 0.85 0.74 0.00 2.37 2.86 -1.05 -2.18 114.93 118.54 1wrm h MET 104 Ca 0.24 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.74 1wrm h MET 104 Cb -0.07 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 1wrm h MET 104 CO -0.06 0.49 -0.47 1.15 1.06 0.00 0.00 176.91 179.08 1wrm h THR 105 N 0.76 0.92 -0.64 2.22 2.02 -0.83 -3.21 112.91 114.15 1wrm h THR 105 Ca 0.25 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.48 1wrm h THR 105 Cb 0.04 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1wrm h THR 105 CO -0.07 0.46 0.00 1.33 0.37 0.00 0.00 175.52 177.61 1wrm n VAL 106 N -3.38 1.10 -3.43 3.16 0.24 -0.73 -4.55 118.33 110.74 1wrm n VAL 106 Ca 0.01 -1.03 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 1wrm n VAL 106 Cb 0.63 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 1wrm n VAL 106 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1wrm n THR 107 N 1.33 0.00 -0.46 3.34 -2.24 -0.87 -5.04 114.28 110.35 1wrm n THR 107 Ca 0.22 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.06 1wrm n THR 107 Cb 0.61 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 69.00 1wrm n THR 107 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1wrm n ASP 108 N -1.57 3.05 -4.77 3.42 5.75 -1.26 -4.86 116.55 116.30 1wrm n ASP 108 Ca 0.00 -2.38 -0.37 0.00 -0.01 0.00 0.00 54.79 52.03 1wrm n ASP 108 Cb 0.00 -0.31 -0.01 0.00 -1.03 0.00 0.00 41.12 39.77 1wrm n ASP 108 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1wrm s PHE 109 N -1.67 2.96 0.82 2.11 0.40 -1.26 -5.06 117.98 116.28 1wrm s PHE 109 Ca 0.26 1.55 -0.06 0.00 -0.60 0.00 0.00 56.93 58.08 1wrm s PHE 109 Cb 0.18 -3.36 0.16 0.00 0.51 0.00 0.00 43.02 40.52 1wrm s PHE 109 CO 0.11 -1.37 1.13 0.20 0.70 0.00 0.00 175.22 175.98 1wrm s GLY 110 N -1.32 1.77 0.34 4.36 0.00 -1.26 -4.57 107.32 106.63 1wrm s GLY 110 Ca 0.61 -1.61 0.06 0.00 0.00 0.00 0.00 44.72 43.79 1wrm s GLY 110 CO 0.35 -0.94 1.84 0.11 0.00 0.00 0.00 173.10 174.46 1wrm h TRP 111 N -0.98 0.40 -0.30 1.90 5.08 -1.93 -1.72 115.95 118.40 1wrm h TRP 111 Ca -0.39 -0.06 -0.13 0.00 1.08 0.00 0.00 58.89 59.40 1wrm h TRP 111 Cb 1.25 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 27.29 1wrm h TRP 111 CO -0.62 0.52 -0.34 0.93 -1.28 0.00 0.00 178.44 177.65 1wrm h GLU 112 N 0.35 0.66 -0.10 0.12 5.08 -1.98 0.24 114.58 118.94 1wrm h GLU 112 Ca 0.07 -0.31 -0.15 0.00 -1.00 0.00 0.00 59.36 57.97 1wrm h GLU 112 Cb 0.47 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1wrm h GLU 112 CO 0.03 0.90 -0.57 -0.44 -1.00 0.00 0.00 179.01 177.94 1wrm h ASP 113 N 0.56 0.36 -0.34 1.42 3.32 -1.88 0.36 116.42 120.21 1wrm h ASP 113 Ca 0.06 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.84 1wrm h ASP 113 Cb 0.84 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1wrm h ASP 113 CO 0.07 0.85 -0.07 0.00 -1.72 0.00 0.00 179.24 178.38 1wrm h ALA 114 N 1.16 0.47 -0.52 3.45 0.00 -0.99 -0.91 119.26 121.92 1wrm h ALA 114 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1wrm h ALA 114 Cb 1.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1wrm h ALA 114 CO 0.09 0.30 0.09 1.25 0.00 0.00 0.00 179.25 180.98 1wrm h LEU 115 N 0.44 0.76 -0.66 0.00 5.85 -0.31 -0.11 115.31 121.29 1wrm h LEU 115 Ca 0.09 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1wrm h LEU 115 Cb 0.56 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1wrm h LEU 115 CO 0.03 0.78 0.41 -0.74 -0.34 0.00 0.00 178.44 178.57 1wrm h HIS 116 N 0.77 0.86 -0.54 1.25 2.76 -0.64 0.24 115.15 119.86 1wrm h HIS 116 Ca 0.16 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1wrm h HIS 116 Cb 0.35 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 1wrm h HIS 116 CO 0.02 0.57 0.35 1.15 -1.30 0.00 0.00 177.93 178.72 1wrm h THR 117 N 0.89 1.15 -0.18 6.26 2.02 -0.14 -1.35 112.91 121.56 1wrm h THR 117 Ca 0.24 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1wrm h THR 117 Cb -0.04 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1wrm h THR 117 CO -0.05 0.14 0.05 0.58 0.37 0.00 0.00 175.52 176.62 1wrm h VAL 118 N 0.73 1.19 -0.07 3.16 2.07 -0.42 -2.98 116.25 119.93 1wrm h VAL 118 Ca 0.20 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1wrm h VAL 118 Cb -0.07 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1wrm h VAL 118 CO -0.04 0.19 0.04 0.03 0.02 0.00 0.00 177.57 177.81 1wrm h ARG 119 N 0.11 0.05 0.00 1.57 3.08 -0.23 0.51 114.38 119.46 1wrm h ARG 119 Ca 0.06 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1wrm h ARG 119 Cb 0.24 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1wrm h ARG 119 CO -0.00 0.03 -0.09 0.00 -1.07 0.00 0.00 179.97 178.84 1wrm h ALA 120 N 1.96 1.73 0.01 0.04 0.00 -1.09 -2.48 119.26 119.42 1wrm h ALA 120 Ca 0.03 -0.08 -0.38 0.00 0.00 0.00 0.00 54.91 54.48 1wrm h ALA 120 Cb 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1wrm h ALA 120 CO -0.00 0.12 -2.38 0.41 0.00 0.00 0.00 179.25 177.39 1wrm n GLY 121 N -1.19 -0.66 2.58 0.00 0.00 0.10 -4.82 105.19 101.20 1wrm n GLY 121 Ca -0.03 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 1wrm n GLY 121 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wrm s ARG 122 N -2.51 0.54 0.52 1.61 3.52 0.16 -4.76 118.95 118.03 1wrm s ARG 122 Ca -0.23 -1.05 0.20 0.00 -0.13 0.00 0.00 55.73 54.52 1wrm s ARG 122 Cb 0.08 -1.53 1.32 0.00 -1.56 0.00 0.00 34.95 33.25 1wrm s ARG 122 CO 0.71 -1.08 2.08 0.66 -0.81 0.00 0.00 175.30 176.86 1wrm h SER 123 N 7.76 0.01 0.27 -2.12 4.64 -1.68 -2.06 113.55 120.37 1wrm h SER 123 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1wrm h SER 123 Cb 0.99 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1wrm h SER 123 CO 0.40 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.37 1wrm n ALA 125 N -1.21 1.16 -2.87 0.00 0.00 -0.77 -4.74 120.51 112.08 1wrm n ALA 125 Ca 0.11 0.45 -0.00 0.00 0.00 0.00 0.00 53.44 53.99 1wrm n ALA 125 Cb 0.13 -2.33 0.01 0.00 0.00 0.00 0.00 19.45 17.26 1wrm n ALA 125 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wrm s ASN 126 N 1.01 -0.78 0.57 0.00 3.04 0.64 -4.92 114.94 114.50 1wrm s ASN 126 Ca 0.80 -0.56 -0.20 0.00 0.04 0.00 0.00 52.86 52.94 1wrm s ASN 126 Cb -0.70 1.01 -0.06 0.00 -1.54 0.00 0.00 41.25 39.96 1wrm s ASN 126 CO 0.39 -0.07 1.03 -2.65 -3.04 0.00 0.00 177.10 172.77 1wrm n PRO 127 N 3.58 1.08 -1.11 0.43 -0.02 -1.23 -4.19 135.00 133.54 1wrm n PRO 127 Ca 0.10 0.41 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 1wrm n PRO 127 Cb 0.61 -2.22 0.11 0.00 -0.02 0.00 0.00 33.50 31.99 1wrm n PRO 127 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wrm s ASN 128 N -1.13 4.05 0.34 2.55 2.20 -1.26 -4.70 114.94 116.99 1wrm s ASN 128 Ca 0.73 1.94 0.12 0.00 -0.94 0.00 0.00 52.86 54.72 1wrm s ASN 128 Cb -0.44 -2.54 0.96 0.00 -2.00 0.00 0.00 41.25 37.24 1wrm s ASN 128 CO 0.49 -2.34 1.73 -0.37 -2.94 0.00 0.00 177.10 173.67 1wrm h VAL 129 N -1.31 0.51 -0.61 3.54 -1.51 -1.99 -0.28 116.25 114.60 1wrm h VAL 129 Ca -0.43 -0.18 -0.08 0.00 -1.23 0.00 0.00 66.70 64.78 1wrm h VAL 129 Cb 1.24 -0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 30.33 1wrm h VAL 129 CO 0.48 0.09 0.08 1.23 -1.23 0.00 0.00 177.57 178.22 1wrm h GLY 130 N 0.52 1.08 1.72 5.19 0.00 -1.89 -2.08 103.07 107.61 1wrm h GLY 130 Ca 0.64 -0.72 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 1wrm h GLY 130 CO -0.44 0.67 -0.48 0.74 0.00 0.00 0.00 176.54 177.03 1wrm h PHE 131 N 0.94 0.37 -0.78 5.60 0.04 -1.37 -1.62 116.94 120.12 1wrm h PHE 131 Ca 0.19 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.79 1wrm h PHE 131 Cb 0.44 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 1wrm h PHE 131 CO 0.03 0.73 0.31 1.96 -0.60 0.00 0.00 178.31 180.74 1wrm h GLN 132 N 0.24 1.16 -0.08 1.51 4.20 -1.06 0.32 115.11 121.41 1wrm h GLN 132 Ca 0.01 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 1wrm h GLN 132 Cb 0.94 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 1wrm h GLN 132 CO 0.08 0.94 0.04 -0.09 -0.67 0.00 0.00 178.83 179.13 1wrm h ARG 133 N 1.13 0.11 -0.83 1.46 2.43 -1.04 0.46 114.38 118.10 1wrm h ARG 133 Ca 0.26 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1wrm h ARG 133 Cb 0.21 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1wrm h ARG 133 CO -0.02 0.15 0.46 1.96 -1.51 0.00 0.00 179.97 181.00 1wrm h GLN 134 N 0.04 1.16 -0.09 0.20 4.20 -0.73 -0.15 115.11 119.73 1wrm h GLN 134 Ca 0.03 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1wrm h GLN 134 Cb 0.07 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 1wrm h GLN 134 CO -0.00 0.85 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.92 1wrm h LEU 135 N 1.16 0.17 -0.57 1.46 3.38 0.01 0.35 115.31 121.27 1wrm h LEU 135 Ca 0.29 -0.33 0.11 0.00 0.09 0.00 0.00 57.88 58.04 1wrm h LEU 135 Cb 0.02 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 1wrm h LEU 135 CO -0.05 0.46 0.08 -0.61 0.09 0.00 0.00 178.44 178.41 1wrm h GLN 136 N -0.13 0.19 -0.17 1.13 5.75 0.34 0.36 115.11 122.59 1wrm h GLN 136 Ca 0.03 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1wrm h GLN 136 Cb 0.38 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 1wrm h GLN 136 CO 0.01 0.13 0.10 1.49 -2.65 0.00 0.00 178.83 177.90 1wrm h GLU 137 N 0.20 0.20 -0.59 1.69 4.57 -0.84 -0.84 114.58 118.97 1wrm h GLU 137 Ca 0.30 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.56 1wrm h GLU 137 Cb 0.45 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.93 1wrm h GLU 137 CO -0.42 0.13 0.21 0.35 -1.18 0.00 0.00 179.01 178.10 1wrm h PHE 138 N 0.21 0.37 -0.55 0.92 3.57 0.88 0.79 116.94 123.12 1wrm h PHE 138 Ca 0.07 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1wrm h PHE 138 Cb -0.01 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 1wrm h PHE 138 CO -0.08 0.09 0.26 1.49 -2.23 0.00 0.00 178.31 177.85 1wrm h GLU 139 N 0.39 0.78 0.02 1.11 4.81 0.19 0.17 114.58 122.05 1wrm h GLU 139 Ca 0.29 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1wrm h GLU 139 Cb 0.36 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.59 1wrm h GLU 139 CO -0.30 0.61 -0.22 0.87 -0.73 0.00 0.00 179.01 179.24 1wrm h LYS 140 N 0.78 0.12 0.00 1.92 1.79 0.29 -3.42 116.57 118.04 1wrm h LYS 140 Ca 0.19 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1wrm h LYS 140 Cb 0.09 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1wrm h LYS 140 CO -0.03 0.96 -0.08 0.72 -1.08 0.00 0.00 179.45 179.94 1wrm n HIS 141 N -4.51 0.00 0.00 -1.35 8.25 0.12 -4.91 115.22 112.82 1wrm n HIS 141 Ca -0.10 -0.64 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 1wrm n HIS 141 Cb 0.52 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.53 1wrm n HIS 141 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1wrm n GLU 142 N -0.87 0.00 -0.31 -0.41 1.02 -0.69 -4.88 120.64 114.50 1wrm n GLU 142 Ca 0.08 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.30 1wrm n GLU 142 Cb 0.55 -0.34 0.24 0.00 -0.02 0.00 0.00 31.44 31.86 1wrm n GLU 142 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1wrm h VAL 143 N 0.00 0.76 -0.79 2.62 3.04 -0.94 0.32 116.25 121.26 1wrm h VAL 143 Ca 0.00 -0.24 0.07 0.00 -1.01 0.00 0.00 66.70 65.51 1wrm h VAL 143 Cb 0.00 -0.01 -0.05 0.00 -2.01 0.00 0.00 31.29 29.22 1wrm h VAL 143 CO 0.00 0.13 0.52 0.45 -1.01 0.00 0.00 177.57 177.66 1wrm h HIS 144 N 0.71 0.86 -0.34 3.17 3.86 -1.86 0.15 115.15 121.69 1wrm h HIS 144 Ca 0.48 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.58 1wrm h HIS 144 Cb 0.65 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1wrm h HIS 144 CO -0.06 0.45 -0.30 0.37 0.86 0.00 0.00 177.93 179.25 1wrm h GLN 145 N 0.85 0.80 -0.50 2.45 4.15 -0.79 -2.93 115.11 119.14 1wrm h GLN 145 Ca 0.34 -0.41 -0.10 0.00 0.77 0.00 0.00 58.65 59.25 1wrm h GLN 145 Cb 0.24 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1wrm h GLN 145 CO -0.12 1.04 -0.09 1.88 -1.93 0.00 0.00 178.83 179.61 1wrm h TYR 146 N 0.58 1.05 -0.95 3.99 -1.99 0.13 -2.62 116.97 117.17 1wrm h TYR 146 Ca 0.06 -0.22 0.06 0.00 2.00 0.00 0.00 58.73 60.63 1wrm h TYR 146 Cb 0.87 -0.26 -0.06 0.00 2.00 0.00 0.00 36.73 39.28 1wrm h TYR 146 CO 0.07 1.00 0.61 0.00 -0.00 0.00 0.00 178.16 179.84 1wrm h ARG 147 N 0.80 1.09 -0.32 4.88 3.08 -0.74 -1.65 114.38 121.52 1wrm h ARG 147 Ca 0.13 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 1wrm h ARG 147 Cb 0.65 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1wrm h ARG 147 CO 0.04 0.72 0.05 1.96 -1.07 0.00 0.00 179.97 181.68 1wrm h GLN 148 N 1.12 0.53 -0.09 0.04 4.20 -1.40 -2.55 115.11 116.96 1wrm h GLN 148 Ca 0.40 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 59.01 1wrm h GLN 148 Cb 0.12 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 1wrm h GLN 148 CO -0.16 0.61 -0.34 2.35 -0.67 0.00 0.00 178.83 180.62 1wrm h TRP 149 N 0.35 -0.95 -0.64 2.96 7.01 -0.95 0.77 115.95 124.50 1wrm h TRP 149 Ca 0.10 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 1wrm h TRP 149 Cb 0.34 0.43 -0.03 0.00 -2.10 0.00 0.00 29.16 27.80 1wrm h TRP 149 CO 0.02 -0.42 0.39 -0.07 -2.79 0.00 0.00 178.44 175.57 1wrm h LEU 150 N -0.44 0.77 -0.74 0.65 3.38 -1.35 0.46 115.31 118.03 1wrm h LEU 150 Ca 0.08 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1wrm h LEU 150 Cb 0.57 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1wrm h LEU 150 CO -0.34 0.60 0.45 0.50 0.09 0.00 0.00 178.44 179.75 1wrm h LYS 151 N 0.87 0.83 0.02 1.13 3.64 -1.01 0.64 116.57 122.70 1wrm h LYS 151 Ca 0.23 -0.05 -0.26 0.00 -1.27 0.00 0.00 60.65 59.31 1wrm h LYS 151 Cb -0.03 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1wrm h LYS 151 CO -0.04 0.55 -1.04 0.93 -2.27 0.00 0.00 179.45 177.58 1wrm h GLU 152 N 0.86 0.55 0.02 1.90 5.08 -0.37 -3.30 114.58 119.31 1wrm h GLU 152 Ca 0.31 -0.62 -0.21 0.00 -1.00 0.00 0.00 59.36 57.84 1wrm h GLU 152 Cb 0.10 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1wrm h GLU 152 CO -0.15 1.24 -0.94 1.49 -1.00 0.00 0.00 179.01 179.66 1wrm h GLU 153 N 0.30 0.17 0.00 2.33 4.57 0.20 -3.51 114.58 118.64 1wrm h GLU 153 Ca -0.12 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1wrm h GLU 153 Cb 1.69 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.35 1wrm h GLU 153 CO 0.19 0.98 0.00 0.66 -1.18 0.00 0.00 179.01 179.67