#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs0 s LEU 4 N 0.00 4.00 0.24 -2.12 2.96 -1.26 -4.76 118.68 117.74 1xs0 s LEU 4 Ca 0.00 0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 54.38 1xs0 s LEU 4 Cb 0.00 -3.25 -0.02 0.00 0.50 0.00 0.00 46.19 43.42 1xs0 s LEU 4 CO 0.00 -0.88 0.31 0.42 -1.32 0.00 0.00 176.35 174.88 1xs0 s THR 5 N 3.50 0.00 0.31 3.68 -4.23 -1.26 -4.34 115.64 113.30 1xs0 s THR 5 Ca 0.38 -1.74 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1xs0 s THR 5 Cb -0.12 -2.41 0.19 0.00 1.34 0.00 0.00 72.50 71.50 1xs0 s THR 5 CO 0.20 0.00 1.89 0.40 -0.54 0.00 0.00 174.62 176.56 1xs0 h ILE 6 N 2.40 1.20 -0.46 2.99 2.04 -1.91 -1.79 117.51 121.97 1xs0 h ILE 6 Ca -0.31 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 1xs0 h ILE 6 Cb 1.25 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1xs0 h ILE 6 CO 0.44 0.25 0.18 -1.28 0.00 0.00 0.00 178.15 177.74 1xs0 h SER 7 N 0.76 0.63 0.03 1.72 0.87 -1.80 -1.22 113.55 114.54 1xs0 h SER 7 Ca 0.18 -0.17 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 1xs0 h SER 7 Cb 0.18 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1xs0 h SER 7 CO -0.01 0.63 -0.30 0.77 -0.53 0.00 0.00 176.83 177.39 1xs0 h SER 8 N 0.60 0.42 -0.56 6.23 4.64 -1.74 -2.20 113.55 120.93 1xs0 h SER 8 Ca 0.15 -0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1xs0 h SER 8 Cb 0.20 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1xs0 h SER 8 CO -0.01 0.71 0.02 -0.07 -0.87 0.00 0.00 176.83 176.60 1xs0 h LEU 9 N 0.36 0.98 -1.43 5.97 3.38 -1.09 0.10 115.31 123.58 1xs0 h LEU 9 Ca 0.05 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1xs0 h LEU 9 Cb 0.71 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1xs0 h LEU 9 CO 0.05 1.02 -0.26 0.00 0.09 0.00 0.00 178.44 179.35 1xs0 h ALA 10 N 1.08 1.24 0.00 1.53 0.00 -0.82 -3.08 119.26 119.20 1xs0 h ALA 10 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xs0 h ALA 10 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xs0 h ALA 10 CO 0.03 0.32 -1.00 1.63 0.00 0.00 0.00 179.25 180.23 1xs0 n LYS 11 N -3.74 1.29 -1.77 0.00 5.02 -0.87 -4.39 118.16 113.70 1xs0 n LYS 11 Ca -0.01 -0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.83 1xs0 n LYS 11 Cb 0.36 -1.31 -0.01 0.00 -0.02 0.00 0.00 35.03 34.05 1xs0 n LYS 11 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1xs0 s GLY 12 N -2.87 2.59 0.23 0.72 0.00 0.32 -4.78 107.32 103.53 1xs0 s GLY 12 Ca 0.04 1.59 -0.08 0.00 0.00 0.00 0.00 44.72 46.28 1xs0 s GLY 12 CO 0.69 2.40 1.85 -2.09 0.00 0.00 0.00 173.10 175.95 1xs0 h GLU 13 N 3.74 0.88 -0.54 2.90 4.57 -1.90 0.18 114.58 124.40 1xs0 h GLU 13 Ca -0.49 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 1xs0 h GLU 13 Cb 1.23 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1xs0 h GLU 13 CO 0.70 0.59 0.00 0.25 -1.18 0.00 0.00 179.01 179.37 1xs0 n THR 14 N -4.65 0.72 0.00 0.32 -2.24 -1.26 -4.29 114.28 102.88 1xs0 n THR 14 Ca 0.10 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1xs0 n THR 14 Cb 0.13 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 1xs0 n THR 14 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xs0 n THR 15 N 1.42 0.00 -0.08 4.28 -2.24 -0.82 -4.82 114.28 112.02 1xs0 n THR 15 Ca 0.21 -0.03 0.01 0.00 -2.27 0.00 0.00 64.05 61.97 1xs0 n THR 15 Cb 0.57 0.46 0.31 0.00 -2.10 0.00 0.00 70.33 69.57 1xs0 n THR 15 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1xs0 h LYS 16 N 0.00 0.70 -0.19 -0.78 2.10 -0.60 0.03 116.57 117.83 1xs0 h LYS 16 Ca 0.00 -0.08 -0.14 0.00 -2.00 0.00 0.00 60.65 58.43 1xs0 h LYS 16 Cb 0.00 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.18 1xs0 h LYS 16 CO 0.00 0.54 -0.48 0.00 -2.00 0.00 0.00 179.45 177.51 1xs0 h ALA 17 N 1.57 0.81 -0.40 0.07 0.00 -1.84 -0.10 119.26 119.36 1xs0 h ALA 17 Ca 0.18 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1xs0 h ALA 17 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xs0 h ALA 17 CO -0.02 0.67 -0.20 0.00 0.00 0.00 0.00 179.25 179.69 1xs0 h ALA 18 N 1.08 0.89 -0.33 0.00 0.00 -1.72 -1.29 119.26 117.89 1xs0 h ALA 18 Ca 0.02 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1xs0 h ALA 18 Cb 0.99 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1xs0 h ALA 18 CO 0.09 0.63 -0.05 0.35 0.00 0.00 0.00 179.25 180.27 1xs0 h PHE 19 N 0.69 0.68 -0.23 0.00 3.57 -0.69 0.33 116.94 121.30 1xs0 h PHE 19 Ca 0.10 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1xs0 h PHE 19 Cb 0.71 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1xs0 h PHE 19 CO 0.04 0.77 0.03 -0.91 -2.23 0.00 0.00 178.31 176.00 1xs0 h ASN 20 N 0.40 0.29 -0.17 0.41 2.35 -0.85 -1.43 115.58 116.59 1xs0 h ASN 20 Ca 0.09 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1xs0 h ASN 20 Cb 0.53 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 1xs0 h ASN 20 CO 0.03 0.32 -0.07 -0.61 -1.65 0.00 0.00 177.43 175.45 1xs0 h GLN 21 N 0.32 0.34 -0.79 0.81 5.75 -0.83 -1.21 115.11 119.51 1xs0 h GLN 21 Ca 0.08 -0.14 0.09 0.00 -0.15 0.00 0.00 58.65 58.52 1xs0 h GLN 21 Cb 0.17 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.64 1xs0 h GLN 21 CO 0.00 0.64 0.45 1.98 -2.65 0.00 0.00 178.83 179.25 1xs0 h MET 22 N 0.03 0.74 -0.13 1.69 4.05 -0.25 -1.31 114.93 119.75 1xs0 h MET 22 Ca 0.04 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1xs0 h MET 22 Cb 0.53 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1xs0 h MET 22 CO 0.02 0.49 0.00 1.33 0.23 0.00 0.00 176.91 178.98 1xs0 n VAL 23 N -4.76 0.16 -1.68 -5.77 0.24 -0.60 -4.14 118.33 101.77 1xs0 n VAL 23 Ca 0.12 -0.35 -0.42 0.00 -2.04 0.00 0.00 64.34 61.65 1xs0 n VAL 23 Cb 0.26 0.51 -0.03 0.00 -1.47 0.00 0.00 33.84 33.11 1xs0 n VAL 23 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1xs0 s GLN 24 N -1.84 4.14 0.00 7.34 0.74 -0.46 -1.21 119.66 128.36 1xs0 s GLN 24 Ca 0.34 2.61 0.00 0.00 0.05 0.00 0.00 55.36 58.36 1xs0 s GLN 24 Cb 0.19 -3.99 0.00 0.00 1.10 0.00 0.00 33.01 30.31 1xs0 s GLN 24 CO 0.29 -0.92 0.00 0.41 -0.55 0.00 0.00 175.29 174.52 1xs0 n GLY 25 N 4.45 1.01 0.03 2.59 0.00 -1.26 -4.94 105.19 107.07 1xs0 n GLY 25 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1xs0 n GLY 25 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xs0 n HIS 26 N -2.00 0.00 -3.81 1.61 8.25 -0.35 -5.02 115.22 113.90 1xs0 n HIS 26 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 1xs0 n HIS 26 Cb 0.00 -0.18 0.02 0.00 1.12 0.00 0.00 29.99 30.95 1xs0 n HIS 26 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1xs0 n LYS 27 N -1.40 -1.70 -3.03 -0.41 2.85 -1.26 -4.96 118.16 108.24 1xs0 n LYS 27 Ca 0.06 0.40 -0.31 0.00 -1.05 0.00 0.00 58.31 57.40 1xs0 n LYS 27 Cb 0.34 -4.05 -0.05 0.00 -0.65 0.00 0.00 35.03 30.62 1xs0 n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1xs0 s LEU 28 N -6.73 3.96 0.72 -5.58 1.43 -1.26 -5.04 118.68 106.17 1xs0 s LEU 28 Ca 0.34 1.18 -0.16 0.00 -1.03 0.00 0.00 54.13 54.47 1xs0 s LEU 28 Cb -0.13 -4.02 0.03 0.00 0.03 0.00 0.00 46.19 42.10 1xs0 s LEU 28 CO 0.88 -0.29 1.25 -2.16 0.23 0.00 0.00 176.35 176.26 1xs0 s PRO 29 N -3.38 2.13 0.41 1.29 0.04 -1.26 -4.91 135.00 129.31 1xs0 s PRO 29 Ca 0.52 1.91 0.10 0.00 0.04 0.00 0.00 61.00 63.58 1xs0 s PRO 29 Cb -0.10 -1.81 0.91 0.00 0.04 0.00 0.00 34.50 33.53 1xs0 s PRO 29 CO 0.24 -1.88 1.99 0.00 0.04 0.00 0.00 177.00 177.39 1xs0 h ALA 30 N -0.13 1.86 -0.02 8.56 0.00 -2.03 -2.07 119.26 125.44 1xs0 h ALA 30 Ca -0.49 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.41 1xs0 h ALA 30 Cb 1.32 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xs0 h ALA 30 CO 0.50 0.03 0.03 0.11 0.00 0.00 0.00 179.25 179.92 1xs0 h TRP 31 N 0.55 0.00 0.29 0.00 5.08 -1.93 -2.40 115.95 117.53 1xs0 h TRP 31 Ca 0.27 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.23 1xs0 h TRP 31 Cb 0.35 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.51 1xs0 h TRP 31 CO -0.00 0.00 -0.15 0.28 -1.28 0.00 0.00 178.44 177.29 1xs0 h VAL 32 N 0.00 0.69 0.00 0.12 2.07 -1.73 -1.97 116.25 115.42 1xs0 h VAL 32 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1xs0 h VAL 32 Cb 0.06 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1xs0 h VAL 32 CO -0.00 0.00 -0.05 -0.03 0.02 0.00 0.00 177.57 177.51 1xs0 h MET 33 N -0.40 0.00 0.00 1.57 1.85 -1.62 -3.38 114.93 112.94 1xs0 h MET 33 Ca -0.04 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 1xs0 h MET 33 Cb 0.32 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.35 1xs0 h MET 33 CO 0.05 0.05 0.00 0.36 -0.40 0.00 0.00 176.91 176.97 1xs0 n LYS 34 N -3.15 0.00 0.00 0.39 -0.00 -1.02 -4.56 118.16 109.82 1xs0 n LYS 34 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1xs0 n LYS 34 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.40 1xs0 n LYS 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xs0 n GLY 35 N 2.95 0.00 3.57 2.58 0.00 -1.26 -4.81 105.19 108.22 1xs0 n GLY 35 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1xs0 n GLY 35 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xs0 s GLY 36 N -1.37 1.55 -0.05 -0.02 0.00 -0.77 -4.66 107.32 101.98 1xs0 s GLY 36 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 44.72 44.38 1xs0 s GLY 36 CO 0.00 0.39 0.11 -1.59 0.00 0.00 0.00 173.10 172.00 1xs0 s THR 37 N -2.71 5.02 0.15 0.90 2.01 -0.61 -4.91 115.64 115.49 1xs0 s THR 37 Ca 0.67 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.54 1xs0 s THR 37 Cb -0.22 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 1xs0 s THR 37 CO 0.61 0.46 -0.06 -0.72 -0.69 0.00 0.00 174.62 174.23 1xs0 s TYR 38 N -1.13 1.18 -0.11 4.92 -0.85 -1.26 -0.42 117.35 119.70 1xs0 s TYR 38 Ca 0.20 -0.88 -0.04 0.00 -0.52 0.00 0.00 57.07 55.83 1xs0 s TYR 38 Cb -0.12 -0.65 -0.04 0.00 0.38 0.00 0.00 41.96 41.54 1xs0 s TYR 38 CO 0.10 -0.06 0.05 0.99 -1.52 0.00 0.00 175.55 175.11 1xs0 s THR 39 N -3.50 4.76 0.40 -3.49 2.01 -0.69 -4.98 115.64 110.15 1xs0 s THR 39 Ca 0.18 -0.07 -0.26 0.00 0.31 0.00 0.00 61.69 61.85 1xs0 s THR 39 Cb 0.04 -3.04 -0.10 0.00 0.01 0.00 0.00 72.50 69.41 1xs0 s THR 39 CO 0.01 0.60 1.32 -0.81 -0.69 0.00 0.00 174.62 175.05 1xs0 n PRO 40 N 2.20 2.11 -1.73 4.92 -0.04 -1.26 -4.11 135.00 137.10 1xs0 n PRO 40 Ca -0.19 0.75 -0.38 0.00 -0.04 0.00 0.00 63.50 63.64 1xs0 n PRO 40 Cb 0.54 -2.44 0.05 0.00 -0.04 0.00 0.00 33.50 31.61 1xs0 n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xs0 n ALA 41 N 0.01 1.36 -2.51 0.55 0.00 -1.26 -4.82 120.51 113.84 1xs0 n ALA 41 Ca 0.05 0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.36 1xs0 n ALA 41 Cb 0.39 -2.32 -0.12 0.00 0.00 0.00 0.00 19.45 17.39 1xs0 n ALA 41 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xs0 s GLN 42 N -2.92 1.17 -0.21 0.00 -1.52 -0.03 -4.92 119.66 111.22 1xs0 s GLN 42 Ca 0.73 -1.24 -0.10 0.00 -1.95 0.00 0.00 55.36 52.80 1xs0 s GLN 42 Cb -0.42 -1.36 -0.05 0.00 -0.22 0.00 0.00 33.01 30.96 1xs0 s GLN 42 CO 0.48 0.30 0.14 0.99 -0.25 0.00 0.00 175.29 176.95 1xs0 s THR 43 N -1.45 5.40 -0.02 -0.19 2.01 -1.26 0.39 115.64 120.52 1xs0 s THR 43 Ca 0.09 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.31 1xs0 s THR 43 Cb -0.09 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 68.94 1xs0 s THR 43 CO 0.05 0.42 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.65 1xs0 s VAL 44 N 0.48 0.56 -0.21 3.82 1.01 0.30 -4.93 120.40 121.44 1xs0 s VAL 44 Ca 0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 1xs0 s VAL 44 Cb -0.11 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1xs0 s VAL 44 CO -0.01 0.18 -0.04 -0.89 0.00 0.00 0.00 175.10 174.34 1xs0 s THR 45 N 0.11 3.50 -0.26 3.92 2.01 -1.26 -0.30 115.64 123.36 1xs0 s THR 45 Ca -0.01 -0.46 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 1xs0 s THR 45 Cb -0.06 -2.58 0.04 0.00 0.01 0.00 0.00 72.50 69.91 1xs0 s THR 45 CO -0.00 0.43 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.54 1xs0 s LEU 46 N 1.23 3.39 0.00 4.42 1.43 0.24 -0.54 118.68 128.84 1xs0 s LEU 46 Ca 0.03 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.03 1xs0 s LEU 46 Cb -0.14 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1xs0 s LEU 46 CO -0.01 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.01 1xs0 n GLY 47 N 4.60 2.56 0.02 -3.19 0.00 0.12 -2.17 105.19 107.12 1xs0 n GLY 47 Ca -0.15 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 45.89 1xs0 n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xs0 n ASP 48 N 9.83 0.02 -4.90 1.61 5.75 -1.26 -2.95 116.55 124.65 1xs0 n ASP 48 Ca 0.00 0.01 -0.31 0.00 -0.01 0.00 0.00 54.79 54.47 1xs0 n ASP 48 Cb 0.00 1.86 -0.04 0.00 -1.03 0.00 0.00 41.12 41.90 1xs0 n ASP 48 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1xs0 s GLU 49 N -3.40 3.37 -0.07 0.11 0.41 -0.92 -5.10 118.70 113.09 1xs0 s GLU 49 Ca -0.08 -0.45 0.04 0.00 -0.41 0.00 0.00 54.97 54.07 1xs0 s GLU 49 Cb 0.13 -3.01 -0.02 0.00 -1.78 0.00 0.00 34.13 29.45 1xs0 s GLU 49 CO 0.90 0.62 -0.19 0.99 -0.49 0.00 0.00 175.26 177.09 1xs0 s THR 50 N -1.46 2.61 0.12 3.63 2.01 -1.26 -0.59 115.64 120.70 1xs0 s THR 50 Ca 0.33 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.51 1xs0 s THR 50 Cb -0.13 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1xs0 s THR 50 CO 0.25 0.57 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.32 1xs0 s TYR 51 N -0.23 1.25 -0.21 4.92 1.51 0.59 -4.53 117.35 120.65 1xs0 s TYR 51 Ca -0.00 -0.64 -0.14 0.00 -1.01 0.00 0.00 57.07 55.27 1xs0 s TYR 51 Cb -0.13 -0.66 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 1xs0 s TYR 51 CO 0.03 0.08 0.33 -0.65 -1.11 0.00 0.00 175.55 174.23 1xs0 s GLN 52 N -3.02 4.15 -0.15 -0.62 -1.52 0.95 -0.54 119.66 118.90 1xs0 s GLN 52 Ca 0.10 0.06 -0.01 0.00 -1.95 0.00 0.00 55.36 53.56 1xs0 s GLN 52 Cb -0.02 -3.53 -0.01 0.00 -0.22 0.00 0.00 33.01 29.23 1xs0 s GLN 52 CO 0.01 0.01 -0.11 0.08 -0.25 0.00 0.00 175.29 175.04 1xs0 s VAL 53 N 1.18 3.14 0.15 1.09 1.01 0.16 -0.43 120.40 126.69 1xs0 s VAL 53 Ca 0.16 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1xs0 s VAL 53 Cb -0.14 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1xs0 s VAL 53 CO 0.07 0.50 -0.11 0.00 0.00 0.00 0.00 175.10 175.56 1xs0 s MET 54 N 0.63 1.07 0.15 2.72 0.23 0.02 -0.85 119.30 123.26 1xs0 s MET 54 Ca -0.06 -1.43 -0.05 0.00 -1.03 0.00 0.00 55.69 53.12 1xs0 s MET 54 Cb -0.15 -0.68 -0.03 0.00 -1.53 0.00 0.00 34.83 32.44 1xs0 s MET 54 CO 0.03 0.09 0.17 -1.54 -2.03 0.00 0.00 175.02 171.74 1xs0 s SER 55 N -3.10 0.17 0.17 -1.18 1.04 -1.26 -0.71 113.70 108.83 1xs0 s SER 55 Ca 0.16 -1.06 -0.19 0.00 0.48 0.00 0.00 55.95 55.33 1xs0 s SER 55 Cb 0.02 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.55 1xs0 s SER 55 CO 0.01 -0.82 0.53 0.00 0.98 0.00 0.00 173.24 173.94 1xs0 s ALA 56 N -4.02 -1.20 0.22 5.32 0.00 -0.55 -1.71 121.76 119.82 1xs0 s ALA 56 Ca 0.22 0.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.20 1xs0 s ALA 56 Cb 0.05 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 1xs0 s ALA 56 CO 0.02 -0.76 0.30 0.00 0.00 0.00 0.00 175.76 175.33 1xs0 s LYS 58 N -4.08 4.20 0.28 0.00 2.20 -0.43 -1.57 119.74 120.34 1xs0 s LYS 58 Ca 0.31 2.04 -0.30 0.00 -0.36 0.00 0.00 55.97 57.66 1xs0 s LYS 58 Cb 0.03 -3.91 -0.13 0.00 -1.51 0.00 0.00 37.83 32.32 1xs0 s LYS 58 CO 0.11 -0.80 1.37 -2.30 -0.36 0.00 0.00 175.35 173.37 1xs0 n PRO 59 N 6.91 2.11 -0.76 4.03 -0.02 -1.26 -1.28 135.00 144.73 1xs0 n PRO 59 Ca 0.16 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1xs0 n PRO 59 Cb 0.43 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1xs0 n PRO 59 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1xs0 n HIS 60 N 1.28 0.00 -2.69 6.00 8.25 -1.26 -4.70 115.22 122.11 1xs0 n HIS 60 Ca 0.09 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.48 1xs0 n HIS 60 Cb 0.34 -1.05 0.08 0.00 1.12 0.00 0.00 29.99 30.48 1xs0 n HIS 60 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1xs0 n ASP 61 N -0.17 -0.33 0.19 0.41 -0.08 -0.40 -4.98 116.55 111.19 1xs0 n ASP 61 Ca 0.00 -2.50 0.06 0.00 -1.51 0.00 0.00 54.79 50.84 1xs0 n ASP 61 Cb 0.08 0.29 0.56 0.00 2.34 0.00 0.00 41.12 44.39 1xs0 n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xs0 n GLY 63 N -1.41 -1.26 0.09 0.00 0.00 -1.26 -3.94 105.19 97.40 1xs0 n GLY 63 Ca -0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 1xs0 n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xs0 n SER 64 N -1.31 0.54 -3.71 1.61 7.64 -0.53 -4.79 113.62 113.07 1xs0 n SER 64 Ca 0.10 0.26 -0.15 0.00 1.01 0.00 0.00 58.87 60.09 1xs0 n SER 64 Cb 0.30 0.34 -0.15 0.00 -1.01 0.00 0.00 64.21 63.70 1xs0 n SER 64 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1xs0 s GLN 65 N -2.56 0.07 0.13 1.43 -0.21 -1.21 -0.66 119.66 116.66 1xs0 s GLN 65 Ca -0.07 0.46 -0.14 0.00 0.02 0.00 0.00 55.36 55.63 1xs0 s GLN 65 Cb 0.07 -0.22 0.02 0.00 1.00 0.00 0.00 33.01 33.88 1xs0 s GLN 65 CO 0.83 -0.23 0.35 -0.98 -2.12 0.00 0.00 175.29 173.15 1xs0 s ARG 66 N 1.65 1.08 -0.00 2.91 3.03 -0.54 -1.31 118.95 125.77 1xs0 s ARG 66 Ca -0.04 -0.86 -0.08 0.00 2.03 0.00 0.00 55.73 56.78 1xs0 s ARG 66 Cb -0.12 0.44 0.00 0.00 -1.03 0.00 0.00 34.95 34.24 1xs0 s ARG 66 CO -0.06 -0.41 0.15 -1.50 -1.13 0.00 0.00 175.30 172.35 1xs0 s ILE 67 N -3.85 0.08 0.04 4.99 2.07 -0.19 -0.59 121.20 123.75 1xs0 s ILE 67 Ca 0.07 -0.64 0.04 0.00 -1.41 0.00 0.00 60.65 58.71 1xs0 s ILE 67 Cb 0.02 -0.44 -0.02 0.00 0.13 0.00 0.00 42.46 42.16 1xs0 s ILE 67 CO -0.09 -0.35 -0.13 0.00 -1.91 0.00 0.00 174.94 172.47 1xs0 s ALA 68 N -1.30 1.03 -0.01 1.50 0.00 -0.03 -1.49 121.76 121.47 1xs0 s ALA 68 Ca -0.14 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.04 1xs0 s ALA 68 Cb -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1xs0 s ALA 68 CO 0.02 0.17 -0.02 0.08 0.00 0.00 0.00 175.76 176.01 1xs0 s VAL 69 N -0.92 0.16 -0.19 0.00 1.01 0.11 -0.35 120.40 120.23 1xs0 s VAL 69 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1xs0 s VAL 69 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1xs0 s VAL 69 CO 0.01 0.06 -0.04 -0.04 0.00 0.00 0.00 175.10 175.09 1xs0 s MET 70 N 0.15 3.51 -0.04 2.72 -1.94 0.35 -0.80 119.30 123.26 1xs0 s MET 70 Ca -0.01 -0.58 0.02 0.00 -1.71 0.00 0.00 55.69 53.41 1xs0 s MET 70 Cb -0.03 -2.95 0.01 0.00 2.01 0.00 0.00 34.83 33.87 1xs0 s MET 70 CO -0.00 0.02 -0.09 -0.46 -0.01 0.00 0.00 175.02 174.48 1xs0 s TRP 71 N 0.92 1.05 -0.32 -0.03 -0.00 0.43 -0.99 118.94 119.98 1xs0 s TRP 71 Ca -0.00 -0.31 -0.21 0.00 -0.00 0.00 0.00 56.10 55.58 1xs0 s TRP 71 Cb -0.15 -0.78 -0.00 0.00 -0.00 0.00 0.00 33.47 32.54 1xs0 s TRP 71 CO 0.01 -0.16 0.67 0.45 -0.00 0.00 0.00 176.95 177.92 1xs0 s SER 72 N 0.47 6.52 0.51 5.86 0.15 0.21 -0.04 113.70 127.37 1xs0 s SER 72 Ca -0.08 0.40 0.26 0.00 0.70 0.00 0.00 55.95 57.23 1xs0 s SER 72 Cb -0.12 -2.35 1.36 0.00 -1.71 0.00 0.00 66.02 63.20 1xs0 s SER 72 CO 0.01 -0.55 2.04 -0.33 1.20 0.00 0.00 173.24 175.61 1xs0 h GLU 73 N 8.26 0.00 0.01 5.44 5.08 -1.89 0.78 114.58 132.25 1xs0 h GLU 73 Ca -0.26 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1xs0 h GLU 73 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1xs0 h GLU 73 CO 0.83 0.14 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.76 1xs0 h LYS 74 N 0.00 -0.01 -0.02 2.33 3.64 -1.91 -3.36 116.57 117.25 1xs0 h LYS 74 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xs0 h LYS 74 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1xs0 h LYS 74 CO 0.02 0.68 -0.36 -1.13 -2.27 0.00 0.00 179.45 176.38 1xs0 n SER 75 N -4.76 2.18 0.00 4.20 3.41 -1.20 -4.96 113.62 112.48 1xs0 n SER 75 Ca -0.09 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 1xs0 n SER 75 Cb 0.34 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 1xs0 n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1xs0 n ASN 76 N 0.23 -2.50 -4.75 4.04 4.05 0.26 -4.98 115.26 111.60 1xs0 n ASN 76 Ca 0.10 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.73 1xs0 n ASN 76 Cb 0.49 -2.02 -0.05 0.00 1.23 0.00 0.00 39.78 39.43 1xs0 n ASN 76 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1xs0 s GLN 77 N -0.97 4.67 -0.02 1.20 -0.21 -1.25 -4.77 119.66 118.31 1xs0 s GLN 77 Ca 0.00 1.74 0.03 0.00 0.02 0.00 0.00 55.36 57.15 1xs0 s GLN 77 Cb 0.00 -3.22 -0.00 0.00 1.00 0.00 0.00 33.01 30.79 1xs0 s GLN 77 CO 0.00 0.25 -0.11 1.41 -2.12 0.00 0.00 175.29 174.72 1xs0 s MET 78 N -1.25 1.08 0.09 2.91 1.75 -1.26 -0.62 119.30 121.99 1xs0 s MET 78 Ca 0.45 -0.37 0.03 0.00 -1.25 0.00 0.00 55.69 54.54 1xs0 s MET 78 Cb -0.31 -1.00 -0.04 0.00 2.84 0.00 0.00 34.83 36.33 1xs0 s MET 78 CO 0.39 0.16 -0.08 -0.08 -0.65 0.00 0.00 175.02 174.76 1xs0 s THR 79 N 0.06 0.76 0.34 10.11 -1.32 -0.16 -4.87 115.64 120.55 1xs0 s THR 79 Ca -0.01 -1.72 -0.04 0.00 -1.21 0.00 0.00 61.69 58.70 1xs0 s THR 79 Cb -0.08 -1.42 0.02 0.00 -1.51 0.00 0.00 72.50 69.50 1xs0 s THR 79 CO 0.00 -0.70 0.51 0.61 -2.21 0.00 0.00 174.62 172.84 1xs0 n GLY 80 N 0.36 1.93 3.23 6.08 0.00 -0.54 -0.49 105.19 115.76 1xs0 n GLY 80 Ca -0.15 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 1xs0 n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xs0 s LEU 81 N 0.00 -0.10 -0.06 0.99 2.96 0.53 -0.38 118.68 122.61 1xs0 s LEU 81 Ca 0.24 0.84 0.02 0.00 -0.22 0.00 0.00 54.13 55.02 1xs0 s LEU 81 Cb -0.02 1.24 -0.03 0.00 0.50 0.00 0.00 46.19 47.89 1xs0 s LEU 81 CO 0.18 -0.20 -0.11 0.12 -1.32 0.00 0.00 176.35 175.02 1xs0 s PHE 82 N 1.57 2.79 -0.07 5.38 5.36 0.01 -0.85 117.98 132.18 1xs0 s PHE 82 Ca -0.08 -0.11 0.02 0.00 -0.96 0.00 0.00 56.93 55.80 1xs0 s PHE 82 Cb -0.09 -1.67 0.01 0.00 -0.34 0.00 0.00 43.02 40.93 1xs0 s PHE 82 CO -0.12 0.23 -0.12 0.45 -1.46 0.00 0.00 175.22 174.20 1xs0 s SER 83 N -0.72 1.74 -0.04 6.13 0.15 0.25 -0.62 113.70 120.59 1xs0 s SER 83 Ca 0.11 -0.29 0.04 0.00 0.70 0.00 0.00 55.95 56.51 1xs0 s SER 83 Cb -0.11 -0.80 -0.00 0.00 -1.71 0.00 0.00 66.02 63.39 1xs0 s SER 83 CO 0.01 0.02 -0.15 -0.89 1.20 0.00 0.00 173.24 173.43 1xs0 s THR 84 N 0.72 1.28 -0.20 6.45 2.01 -0.57 -1.46 115.64 123.88 1xs0 s THR 84 Ca -0.14 -0.63 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 1xs0 s THR 84 Cb -0.16 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 1xs0 s THR 84 CO 0.03 0.37 0.08 -0.63 -0.69 0.00 0.00 174.62 173.78 1xs0 s ILE 85 N 0.06 4.86 0.22 1.82 1.01 0.17 -0.61 121.20 128.73 1xs0 s ILE 85 Ca -0.03 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.32 1xs0 s ILE 85 Cb -0.11 -3.21 -0.09 0.00 0.01 0.00 0.00 42.46 39.07 1xs0 s ILE 85 CO 0.02 0.43 1.13 -0.62 0.00 0.00 0.00 174.94 175.90 1xs0 s ASP 86 N 0.56 7.21 0.07 3.58 3.68 -0.12 -4.93 116.67 126.73 1xs0 s ASP 86 Ca 0.04 2.21 -0.35 0.00 2.13 0.00 0.00 52.55 56.58 1xs0 s ASP 86 Cb -0.13 -2.61 -0.18 0.00 -1.45 0.00 0.00 42.92 38.55 1xs0 s ASP 86 CO 0.01 -0.24 1.54 -0.08 0.13 0.00 0.00 175.17 176.53 1xs0 h GLU 87 N 4.62 -1.03 0.00 4.34 4.22 -1.97 -1.35 114.58 123.40 1xs0 h GLU 87 Ca -0.45 0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.06 1xs0 h GLU 87 Cb 1.21 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1xs0 h GLU 87 CO 0.71 -0.69 -0.89 -0.22 -2.18 0.00 0.00 179.01 175.74 1xs0 h LYS 88 N -1.07 0.00 0.00 1.92 3.64 -1.99 -3.37 116.57 115.70 1xs0 h LYS 88 Ca -0.08 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.04 1xs0 h LYS 88 Cb 0.89 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.66 1xs0 h LYS 88 CO 0.02 0.00 -1.83 0.25 -2.27 0.00 0.00 179.45 175.62 1xs0 n THR 89 N -2.66 1.30 -0.96 1.00 -2.24 -1.25 -4.95 114.28 104.51 1xs0 n THR 89 Ca 0.01 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1xs0 n THR 89 Cb 0.54 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1xs0 n THR 89 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1xs0 n SER 90 N -2.85 -2.37 -4.76 3.42 2.88 -0.51 -4.97 113.62 104.46 1xs0 n SER 90 Ca -0.18 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 56.95 1xs0 n SER 90 Cb 0.98 -0.94 -0.03 0.00 -0.75 0.00 0.00 64.21 63.47 1xs0 n SER 90 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1xs0 s GLN 91 N -0.36 4.47 -0.20 -1.46 0.74 -1.26 -4.69 119.66 116.90 1xs0 s GLN 91 Ca 0.00 2.02 -0.07 0.00 0.05 0.00 0.00 55.36 57.36 1xs0 s GLN 91 Cb 0.00 -3.14 -0.03 0.00 1.10 0.00 0.00 33.01 30.93 1xs0 s GLN 91 CO 0.00 -0.04 0.05 -2.00 -0.55 0.00 0.00 175.29 172.75 1xs0 s GLU 92 N -1.34 3.82 -0.23 1.67 2.12 -1.26 -0.94 118.70 122.54 1xs0 s GLU 92 Ca 0.49 -0.42 -0.06 0.00 0.36 0.00 0.00 54.97 55.34 1xs0 s GLU 92 Cb -0.36 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 1xs0 s GLU 92 CO 0.46 0.11 0.03 0.15 -0.54 0.00 0.00 175.26 175.47 1xs0 s LYS 93 N 0.80 3.63 -0.11 4.30 1.02 0.22 -4.95 119.74 124.65 1xs0 s LYS 93 Ca 0.03 -0.50 -0.04 0.00 0.02 0.00 0.00 55.97 55.48 1xs0 s LYS 93 Cb -0.14 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1xs0 s LYS 93 CO 0.02 -0.10 0.03 -0.51 -0.92 0.00 0.00 175.35 173.88 1xs0 s LEU 94 N 1.33 3.73 -0.17 3.17 1.43 -1.26 -1.51 118.68 125.40 1xs0 s LEU 94 Ca 0.05 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1xs0 s LEU 94 Cb -0.15 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1xs0 s LEU 94 CO 0.02 0.33 -0.16 -0.89 0.23 0.00 0.00 176.35 175.88 1xs0 s THR 95 N -0.60 1.78 -0.05 5.49 2.01 0.21 -4.97 115.64 119.52 1xs0 s THR 95 Ca 0.10 -0.80 -0.22 0.00 0.31 0.00 0.00 61.69 61.08 1xs0 s THR 95 Cb -0.12 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1xs0 s THR 95 CO 0.02 0.46 0.66 0.26 -0.69 0.00 0.00 174.62 175.34 1xs0 s TRP 96 N 1.40 3.61 -0.21 4.92 0.52 -1.26 -0.81 118.94 127.10 1xs0 s TRP 96 Ca 0.04 1.22 -0.07 0.00 0.02 0.00 0.00 56.10 57.32 1xs0 s TRP 96 Cb -0.13 -2.74 -0.03 0.00 -1.15 0.00 0.00 33.47 29.42 1xs0 s TRP 96 CO -0.11 0.17 0.05 -0.51 0.02 0.00 0.00 176.95 176.56 1xs0 s LEU 97 N 0.50 3.53 -0.90 2.99 1.43 0.49 -4.69 118.68 122.02 1xs0 s LEU 97 Ca 0.35 -0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 53.29 1xs0 s LEU 97 Cb -0.18 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1xs0 s LEU 97 CO 0.18 0.08 0.66 -3.20 0.23 0.00 0.00 176.35 174.30 1xs0 n ASN 98 N 4.15 -5.48 -2.73 2.29 4.05 -1.26 -1.47 115.26 114.81 1xs0 n ASN 98 Ca -0.17 -0.82 -0.28 0.00 0.45 0.00 0.00 54.58 53.76 1xs0 n ASN 98 Cb 0.52 -2.71 -0.07 0.00 1.23 0.00 0.00 39.78 38.75 1xs0 n ASN 98 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1xs0 n VAL 99 N -2.95 3.86 0.00 3.44 0.24 -1.26 -4.69 118.33 116.97 1xs0 n VAL 99 Ca -0.20 -2.90 0.00 0.00 -2.04 0.00 0.00 64.34 59.21 1xs0 n VAL 99 Cb 0.62 -1.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.03 1xs0 n VAL 99 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1xs0 n ASN 100 N 1.87 0.00 -2.46 -1.34 4.05 -1.26 -3.69 115.26 112.43 1xs0 n ASN 100 Ca 0.55 -0.18 -0.20 0.00 0.45 0.00 0.00 54.58 55.19 1xs0 n ASN 100 Cb 0.52 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.53 1xs0 n ASN 100 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1xs0 n ASP 101 N 1.02 -5.78 -0.03 1.20 10.43 -1.26 -4.86 116.55 117.28 1xs0 n ASP 101 Ca 0.00 -0.10 -0.00 0.00 2.57 0.00 0.00 54.79 57.26 1xs0 n ASP 101 Cb 0.00 -4.74 -0.08 0.00 1.84 0.00 0.00 41.12 38.14 1xs0 n ASP 101 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xs0 n ALA 102 N -2.43 2.03 -2.34 2.24 0.00 -1.24 -5.01 120.51 113.77 1xs0 n ALA 102 Ca -0.20 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.37 1xs0 n ALA 102 Cb 0.66 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1xs0 n ALA 102 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xs0 s LEU 103 N -4.25 4.37 0.50 0.00 2.96 -1.26 -5.03 118.68 115.96 1xs0 s LEU 103 Ca -0.04 2.11 0.07 0.00 -0.22 0.00 0.00 54.13 56.04 1xs0 s LEU 103 Cb 0.04 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 43.19 1xs0 s LEU 103 CO 0.40 -0.51 0.69 -0.94 -1.32 0.00 0.00 176.35 174.66 1xs0 s SER 104 N 1.02 5.37 0.21 3.68 1.04 -1.26 -4.92 113.70 118.85 1xs0 s SER 104 Ca 0.60 -0.45 -0.09 0.00 0.48 0.00 0.00 55.95 56.49 1xs0 s SER 104 Cb -0.32 -0.43 0.31 0.00 0.10 0.00 0.00 66.02 65.69 1xs0 s SER 104 CO 0.30 -1.04 1.72 0.40 0.98 0.00 0.00 173.24 175.60 1xs0 h ILE 105 N 0.36 0.67 -0.55 -1.02 2.04 -2.00 -0.05 117.51 116.96 1xs0 h ILE 105 Ca -0.38 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 1xs0 h ILE 105 Cb 1.28 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1xs0 h ILE 105 CO 0.45 0.06 0.04 0.44 0.00 0.00 0.00 178.15 179.13 1xs0 h ASP 106 N 0.31 0.87 -0.75 1.72 3.32 -1.99 -1.80 116.42 118.10 1xs0 h ASP 106 Ca 0.32 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1xs0 h ASP 106 Cb 0.47 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1xs0 h ASP 106 CO -0.38 0.91 0.37 1.23 -1.72 0.00 0.00 179.24 179.65 1xs0 h GLY 107 N 1.00 1.15 1.01 2.75 0.00 -1.73 0.65 103.07 107.90 1xs0 h GLY 107 Ca 0.17 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1xs0 h GLY 107 CO 0.02 0.54 0.49 0.50 0.00 0.00 0.00 176.54 178.08 1xs0 h LYS 108 N 1.05 1.05 -0.48 4.80 1.57 -0.44 -1.28 116.57 122.84 1xs0 h LYS 108 Ca 0.26 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1xs0 h LYS 108 Cb 0.10 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1xs0 h LYS 108 CO -0.03 0.72 0.15 1.15 -0.57 0.00 0.00 179.45 180.87 1xs0 h THR 109 N 1.07 1.23 -0.75 -0.16 2.02 -0.74 -0.97 112.91 114.60 1xs0 h THR 109 Ca 0.28 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 1xs0 h THR 109 Cb -0.07 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1xs0 h THR 109 CO -0.06 0.27 0.36 0.58 0.37 0.00 0.00 175.52 177.05 1xs0 h VAL 110 N 0.65 1.24 -0.67 3.16 2.07 -0.68 0.12 116.25 122.14 1xs0 h VAL 110 Ca 0.16 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 1xs0 h VAL 110 Cb 0.27 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1xs0 h VAL 110 CO -0.01 0.29 0.10 -0.07 0.02 0.00 0.00 177.57 177.90 1xs0 h LEU 111 N 1.06 1.07 -0.62 2.57 3.38 -1.05 0.57 115.31 122.31 1xs0 h LEU 111 Ca 0.26 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1xs0 h LEU 111 Cb 0.12 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1xs0 h LEU 111 CO -0.03 1.07 -0.18 0.15 0.09 0.00 0.00 178.44 179.54 1xs0 h PHE 112 N 1.04 1.02 -0.38 1.13 3.57 -0.74 -1.07 116.94 121.51 1xs0 h PHE 112 Ca 0.20 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1xs0 h PHE 112 Cb 0.46 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1xs0 h PHE 112 CO 0.03 1.00 0.17 0.00 -2.23 0.00 0.00 178.31 177.29 1xs0 h ALA 113 N 1.00 1.58 -0.01 2.41 0.00 -0.27 -0.07 119.26 123.90 1xs0 h ALA 113 Ca 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xs0 h ALA 113 Cb 0.72 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xs0 h ALA 113 CO 0.06 0.34 -0.01 0.00 0.00 0.00 0.00 179.25 179.64 1xs0 h ALA 114 N 1.65 0.01 0.00 0.00 0.00 -0.46 -1.44 119.26 119.03 1xs0 h ALA 114 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xs0 h ALA 114 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xs0 h ALA 114 CO -0.02 -0.25 0.00 1.37 0.00 0.00 0.00 179.25 180.35 1xs0 h LEU 115 N -0.46 0.00 0.09 0.00 8.10 -0.90 -3.01 115.31 119.14 1xs0 h LEU 115 Ca 0.00 0.00 -0.26 0.00 0.11 0.00 0.00 57.88 57.73 1xs0 h LEU 115 Cb 0.48 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.70 1xs0 h LEU 115 CO 0.00 0.00 -1.19 0.00 -4.11 0.00 0.00 178.44 173.14 1xs0 h THR 116 N 0.00 1.54 0.00 0.15 1.03 -1.03 -3.47 112.91 111.12 1xs0 h THR 116 Ca 0.00 -3.11 0.00 0.00 -0.01 0.00 0.00 66.41 63.29 1xs0 h THR 116 Cb 0.69 2.91 0.00 0.00 -1.07 0.00 0.00 68.15 70.68 1xs0 h THR 116 CO 0.00 0.90 0.00 0.61 -0.01 0.00 0.00 175.52 177.02 1xs0 n GLY 117 N 1.47 1.59 0.26 2.99 0.00 -0.80 -4.99 105.19 105.70 1xs0 n GLY 117 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1xs0 n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xs0 h SER 118 N 0.00 0.41 -0.71 1.61 0.02 -1.58 -1.95 113.55 111.36 1xs0 h SER 118 Ca 0.00 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 1xs0 h SER 118 Cb 0.00 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1xs0 h SER 118 CO 0.00 0.52 0.25 0.25 -1.14 0.00 0.00 176.83 176.71 1xs0 h LEU 119 N 0.42 1.00 -0.55 5.07 5.85 -1.60 0.13 115.31 125.64 1xs0 h LEU 119 Ca 0.09 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 1xs0 h LEU 119 Cb 0.36 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1xs0 h LEU 119 CO 0.02 0.92 0.10 -0.33 -0.34 0.00 0.00 178.44 178.81 1xs0 h GLU 120 N 1.03 0.90 -0.22 1.25 3.07 -1.75 -0.10 114.58 118.75 1xs0 h GLU 120 Ca 0.23 -0.23 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1xs0 h GLU 120 Cb 0.26 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1xs0 h GLU 120 CO -0.01 0.86 -0.13 -0.91 -1.40 0.00 0.00 179.01 177.42 1xs0 h ASN 121 N 0.79 0.34 -2.08 1.42 2.35 -0.82 -3.34 115.58 114.23 1xs0 h ASN 121 Ca 0.17 -0.08 -0.57 0.00 -0.55 0.00 0.00 56.30 55.26 1xs0 h ASN 121 Cb 0.39 -0.09 -0.40 0.00 0.05 0.00 0.00 38.32 38.27 1xs0 h ASN 121 CO 0.01 0.51 -0.97 1.41 -1.65 0.00 0.00 177.43 176.74 1xs0 n HIS 122 N -4.23 0.64 -0.37 1.19 8.25 -0.02 -4.99 115.22 115.69 1xs0 n HIS 122 Ca -0.00 -3.71 0.34 0.00 -0.26 0.00 0.00 57.72 54.09 1xs0 n HIS 122 Cb 0.30 -0.37 0.68 0.00 1.12 0.00 0.00 29.99 31.72 1xs0 n HIS 122 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1xs0 h PRO 123 N 4.15 0.11 -0.23 -0.41 0.13 -1.17 -0.66 132.00 133.92 1xs0 h PRO 123 Ca 0.11 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 1xs0 h PRO 123 Cb 0.83 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1xs0 h PRO 123 CO 0.55 0.07 -0.01 -0.25 -0.23 0.00 0.00 178.00 178.14 1xs0 n ASP 124 N -4.34 3.46 -1.28 1.44 10.43 -1.26 -4.59 116.55 120.41 1xs0 n ASP 124 Ca 0.29 -3.13 0.10 0.00 2.57 0.00 0.00 54.79 54.62 1xs0 n ASP 124 Cb 1.24 -0.54 0.30 0.00 1.84 0.00 0.00 41.12 43.96 1xs0 n ASP 124 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xs0 n GLY 125 N -0.74 2.67 0.89 0.44 0.00 -0.26 -4.47 105.19 103.72 1xs0 n GLY 125 Ca 0.22 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.55 1xs0 n GLY 125 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xs0 n PHE 126 N 1.24 0.00 -3.27 1.61 3.01 -1.26 -5.01 117.46 113.78 1xs0 n PHE 126 Ca 0.22 -1.08 -0.40 0.00 1.01 0.00 0.00 57.45 57.21 1xs0 n PHE 126 Cb 0.67 -0.20 -0.08 0.00 -0.01 0.00 0.00 39.48 39.86 1xs0 n PHE 126 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1xs0 s ASN 127 N -2.72 6.38 -0.66 4.37 0.01 -1.26 -4.63 114.94 116.44 1xs0 s ASN 127 Ca 0.35 0.42 0.05 0.00 -0.71 0.00 0.00 52.86 52.97 1xs0 s ASN 127 Cb 0.36 -2.27 0.26 0.00 0.41 0.00 0.00 41.25 40.02 1xs0 s ASN 127 CO -0.10 -0.29 0.80 0.49 -1.51 0.00 0.00 177.10 176.50 1xs0 n PHE 128 N 5.52 3.62 -2.06 2.20 3.72 0.29 -4.98 117.46 125.77 1xs0 n PHE 128 Ca -0.05 -4.06 -0.32 0.00 -0.05 0.00 0.00 57.45 52.97 1xs0 n PHE 128 Cb 0.50 -0.59 -0.00 0.00 -0.94 0.00 0.00 39.48 38.44 1xs0 n PHE 128 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1xs0 s ARG 129 N -2.57 3.68 0.24 -1.08 0.52 -1.24 0.12 118.95 118.61 1xs0 s ARG 129 Ca 0.40 0.86 -0.01 0.00 -0.52 0.00 0.00 55.73 56.46 1xs0 s ARG 129 Cb 0.15 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 1xs0 s ARG 129 CO -0.01 -0.50 0.23 -1.54 0.02 0.00 0.00 175.30 173.50 1xs0 s SER 130 N -3.66 0.44 0.00 0.23 1.04 -1.15 -4.75 113.70 105.85 1xs0 s SER 130 Ca 0.57 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1xs0 s SER 130 Cb -0.11 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1xs0 s SER 130 CO 0.45 -0.95 0.00 1.41 0.98 0.00 0.00 173.24 175.12