#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwv n PRO 2 N 0.00 0.12 -0.04 1.43 -0.04 -1.26 -3.17 135.00 132.03 1qwv n PRO 2 Ca 0.00 0.61 -0.03 0.00 -0.04 0.00 0.00 63.50 64.03 1qwv n PRO 2 Cb 0.00 -1.95 -0.02 0.00 -0.04 0.00 0.00 33.50 31.49 1qwv n PRO 2 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1qwv h GLU 3 N 0.00 -0.08 0.00 0.54 3.07 -2.01 -0.82 114.58 115.28 1qwv h GLU 3 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1qwv h GLU 3 Cb 0.13 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1qwv h GLU 3 CO 0.00 -0.05 -0.42 1.51 -1.40 0.00 0.00 179.01 178.64 1qwv n ILE 4 N -3.39 0.08 0.24 3.13 0.13 -1.22 -3.86 119.36 114.49 1qwv n ILE 4 Ca -0.01 -0.06 0.13 0.00 -1.10 0.00 0.00 62.75 61.72 1qwv n ILE 4 Cb 0.08 0.02 0.49 0.00 -0.84 0.00 0.00 39.64 39.39 1qwv n ILE 4 CO 0.00 0.00 0.00 0.24 2.80 0.00 0.00 176.55 179.59 1qwv h MET 5 N 0.00 0.00 -5.12 9.51 2.86 -1.38 -3.31 114.93 117.49 1qwv h MET 5 Ca 0.00 0.00 -0.71 0.00 -2.06 0.00 0.00 59.70 56.93 1qwv h MET 5 Cb 0.55 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.06 1qwv h MET 5 CO 0.00 0.09 1.56 0.15 1.06 0.00 0.00 176.91 179.77 1qwv s LYS 6 N -3.54 4.01 0.20 1.72 1.02 -0.36 -4.99 119.74 117.79 1qwv s LYS 6 Ca 0.02 -2.32 -0.32 0.00 0.02 0.00 0.00 55.97 53.38 1qwv s LYS 6 Cb 0.09 -5.19 -0.11 0.00 -0.52 0.00 0.00 37.83 32.09 1qwv s LYS 6 CO 0.60 -1.92 1.66 -0.80 -0.92 0.00 0.00 175.35 173.97 1qwv s ASN 7 N 3.34 6.46 0.42 2.83 -0.87 -1.25 -4.84 114.94 121.03 1qwv s ASN 7 Ca 0.45 2.78 0.10 0.00 -1.57 0.00 0.00 52.86 54.63 1qwv s ASN 7 Cb -0.01 -2.60 0.95 0.00 -0.02 0.00 0.00 41.25 39.57 1qwv s ASN 7 CO 0.01 -0.91 2.02 -0.07 -2.57 0.00 0.00 177.10 175.58 1qwv h LEU 8 N 6.66 0.41 -0.94 0.60 3.38 -1.90 0.13 115.31 123.66 1qwv h LEU 8 Ca -0.43 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 1qwv h LEU 8 Cb 1.20 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 1qwv h LEU 8 CO 0.93 0.28 0.42 -1.28 0.09 0.00 0.00 178.44 178.88 1qwv h SER 9 N 0.47 1.06 0.71 -0.43 0.87 -1.90 0.29 113.55 114.63 1qwv h SER 9 Ca 0.21 -0.11 -0.18 0.00 -1.23 0.00 0.00 61.79 60.47 1qwv h SER 9 Cb 0.22 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1qwv h SER 9 CO -0.05 0.88 -0.84 0.78 -0.53 0.00 0.00 176.83 177.07 1qwv h ASN 10 N 1.17 0.11 -0.02 6.23 4.21 -1.37 -2.42 115.58 123.49 1qwv h ASN 10 Ca 0.29 -0.09 -0.01 0.00 1.21 0.00 0.00 56.30 57.71 1qwv h ASN 10 Cb 0.08 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1qwv h ASN 10 CO -0.04 0.89 -0.01 0.78 -1.29 0.00 0.00 177.43 177.76 1qwv h ASN 11 N 0.04 0.05 0.00 5.81 2.35 -0.18 -3.30 115.58 120.36 1qwv h ASN 11 Ca -0.02 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1qwv h ASN 11 Cb 1.46 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.82 1qwv h ASN 11 CO 0.12 0.43 0.00 0.49 -1.65 0.00 0.00 177.43 176.82 1qwv n PHE 12 N -4.86 0.00 -3.28 1.19 3.72 0.95 -4.87 117.46 110.31 1qwv n PHE 12 Ca -0.08 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.09 1qwv n PHE 12 Cb 0.22 -0.29 0.01 0.00 -0.94 0.00 0.00 39.48 38.48 1qwv n PHE 12 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qwv n GLY 13 N -0.91 -0.50 0.19 1.37 0.00 -0.91 -4.86 105.19 99.57 1qwv n GLY 13 Ca 0.00 0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1qwv n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qwv h LYS 14 N -1.14 0.59 -2.47 1.61 3.64 -1.89 -3.42 116.57 113.49 1qwv h LYS 14 Ca -0.46 -0.51 -0.37 0.00 -1.27 0.00 0.00 60.65 58.03 1qwv h LYS 14 Cb 1.31 0.12 -0.36 0.00 -0.41 0.00 0.00 32.23 32.89 1qwv h LYS 14 CO 0.55 1.13 -0.67 0.00 -2.27 0.00 0.00 179.45 178.19 1qwv s ALA 15 N -3.60 -0.12 0.08 5.00 0.00 -1.26 -4.99 121.76 116.87 1qwv s ALA 15 Ca -0.08 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1qwv s ALA 15 Cb 0.09 -1.49 -0.24 0.00 0.00 0.00 0.00 23.12 21.48 1qwv s ALA 15 CO 0.88 -1.48 1.15 1.98 0.00 0.00 0.00 175.76 178.28 1qwv h MET 16 N 8.32 0.12 -0.46 0.00 4.05 -2.01 -3.28 114.93 121.67 1qwv h MET 16 Ca -0.16 -0.20 0.06 0.00 -0.28 0.00 0.00 59.70 59.12 1qwv h MET 16 Cb 1.09 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.95 1qwv h MET 16 CO 0.33 1.05 0.31 0.22 0.23 0.00 0.00 176.91 179.05 1qwv h ASP 17 N 0.03 0.32 0.89 1.39 3.58 -1.99 -1.88 116.42 118.77 1qwv h ASP 17 Ca -0.10 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.22 1qwv h ASP 17 Cb 1.88 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.84 1qwv h ASP 17 CO 0.15 0.21 -1.19 1.56 -2.88 0.00 0.00 179.24 177.10 1qwv h GLN 18 N 0.37 0.00 -0.14 0.28 4.20 -1.99 -2.11 115.11 115.72 1qwv h GLN 18 Ca 0.20 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.76 1qwv h GLN 18 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1qwv h GLN 18 CO -0.05 0.30 -0.57 0.00 -0.67 0.00 0.00 178.83 177.84 1qwv h LYS 20 N 0.33 0.23 -0.08 0.00 1.63 -1.30 -2.31 116.57 115.06 1qwv h LYS 20 Ca 0.00 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 1qwv h LYS 20 Cb 1.10 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1qwv h LYS 20 CO 0.10 0.34 -0.11 0.22 -3.45 0.00 0.00 179.45 176.55 1qwv h ASP 21 N 0.07 0.24 0.02 4.20 3.58 -1.32 -1.94 116.42 121.27 1qwv h ASP 21 Ca 0.05 -0.51 -0.13 0.00 0.42 0.00 0.00 57.03 56.86 1qwv h ASP 21 Cb 0.20 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1qwv h ASP 21 CO -0.00 0.71 -0.41 -0.08 -2.88 0.00 0.00 179.24 176.57 1qwv h GLU 22 N -0.22 0.49 0.00 0.28 4.57 -0.77 -1.93 114.58 117.01 1qwv h GLU 22 Ca 0.01 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 57.90 1qwv h GLU 22 Cb 0.65 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1qwv h GLU 22 CO 0.03 0.82 -0.19 -0.07 -1.18 0.00 0.00 179.01 178.42 1qwv h LEU 23 N 0.41 0.00 -1.00 1.64 -0.00 -1.50 -3.47 115.31 111.39 1qwv h LEU 23 Ca 0.03 0.00 -0.41 0.00 -0.00 0.00 0.00 57.88 57.51 1qwv h LEU 23 Cb 0.90 0.00 0.11 0.00 -0.00 0.00 0.00 40.66 41.67 1qwv h LEU 23 CO 0.08 0.19 -0.71 -1.20 -0.00 0.00 0.00 178.44 176.80 1qwv n SER 24 N -3.19 -5.43 -4.77 -0.43 7.64 -0.73 -4.91 113.62 101.80 1qwv n SER 24 Ca 0.02 -0.60 -0.41 0.00 1.01 0.00 0.00 58.87 58.89 1qwv n SER 24 Cb 0.55 -4.80 -0.02 0.00 -1.01 0.00 0.00 64.21 58.93 1qwv n SER 24 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1qwv s LEU 25 N -7.18 4.40 0.65 -3.43 1.43 -0.80 -5.02 118.68 108.73 1qwv s LEU 25 Ca 0.52 2.75 -0.09 0.00 -1.03 0.00 0.00 54.13 56.27 1qwv s LEU 25 Cb -0.23 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.34 1qwv s LEU 25 CO 0.75 -0.61 1.01 -2.16 0.23 0.00 0.00 176.35 175.57 1qwv s PRO 26 N -1.68 3.03 0.38 1.29 0.04 -1.26 -4.89 135.00 131.90 1qwv s PRO 26 Ca 0.51 0.35 0.07 0.00 0.04 0.00 0.00 61.00 61.97 1qwv s PRO 26 Cb -0.41 -2.12 0.76 0.00 0.04 0.00 0.00 34.50 32.76 1qwv s PRO 26 CO 0.54 -0.82 1.95 0.38 0.04 0.00 0.00 177.00 179.08 1qwv h ASP 27 N -0.41 0.38 -0.13 6.66 2.03 -1.99 -1.96 116.42 120.99 1qwv h ASP 27 Ca -0.45 -0.05 -0.03 0.00 -0.73 0.00 0.00 57.03 55.76 1qwv h ASP 27 Cb 1.24 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1qwv h ASP 27 CO 0.63 0.42 -0.05 0.77 -1.03 0.00 0.00 179.24 179.98 1qwv h SER 28 N 0.41 0.27 -0.05 4.15 4.64 -1.99 -2.47 113.55 118.52 1qwv h SER 28 Ca 0.10 -0.39 -0.07 0.00 -0.47 0.00 0.00 61.79 60.96 1qwv h SER 28 Cb 0.22 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1qwv h SER 28 CO 0.00 0.60 -0.24 0.58 -0.87 0.00 0.00 176.83 176.91 1qwv h VAL 29 N -0.06 1.46 -0.22 0.95 2.07 -1.89 -0.44 116.25 118.13 1qwv h VAL 29 Ca 0.03 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 1qwv h VAL 29 Cb 0.49 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1qwv h VAL 29 CO 0.02 0.48 0.12 1.62 0.02 0.00 0.00 177.57 179.82 1qwv h VAL 30 N -0.30 1.07 0.12 2.57 3.04 -1.47 0.23 116.25 121.51 1qwv h VAL 30 Ca -0.02 -0.18 -0.01 0.00 -1.01 0.00 0.00 66.70 65.48 1qwv h VAL 30 Cb 0.90 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1qwv h VAL 30 CO 0.05 0.08 -0.06 0.00 -1.01 0.00 0.00 177.57 176.63 1qwv h ALA 31 N 1.83 -0.16 -0.23 3.17 0.00 -1.29 -2.51 119.26 120.08 1qwv h ALA 31 Ca 0.08 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1qwv h ALA 31 Cb 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1qwv h ALA 31 CO -0.01 -0.38 -0.23 0.22 0.00 0.00 0.00 179.25 178.84 1qwv h ASP 32 N -0.58 0.41 -0.34 0.00 3.58 -0.78 -1.94 116.42 116.78 1qwv h ASP 32 Ca -0.02 -0.13 0.07 0.00 0.42 0.00 0.00 57.03 57.38 1qwv h ASP 32 Cb 0.46 -0.11 -0.08 0.00 1.72 0.00 0.00 39.33 41.31 1qwv h ASP 32 CO 0.03 0.66 -0.30 0.25 -2.88 0.00 0.00 179.24 177.00 1qwv h LEU 33 N 0.37 -0.97 -0.19 2.28 5.85 -0.57 -2.32 115.31 119.76 1qwv h LEU 33 Ca 0.06 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1qwv h LEU 33 Cb 0.62 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1qwv h LEU 33 CO 0.04 -0.31 0.00 -1.22 -0.34 0.00 0.00 178.44 176.61 1qwv n TYR 34 N -5.41 0.00 -1.74 1.25 4.01 -0.73 -4.75 117.16 109.80 1qwv n TYR 34 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 1qwv n TYR 34 Cb 0.32 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.31 1qwv n TYR 34 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1qwv s ASN 35 N -1.53 4.70 0.49 7.72 0.01 -0.88 -4.78 114.94 120.67 1qwv s ASN 35 Ca 0.00 0.69 0.28 0.00 -0.71 0.00 0.00 52.86 53.12 1qwv s ASN 35 Cb 0.00 -2.52 0.96 0.00 0.41 0.00 0.00 41.25 40.11 1qwv s ASN 35 CO 0.00 -2.78 1.84 -0.26 -1.51 0.00 0.00 177.10 174.38 1qwv h PHE 36 N 17.27 0.00 -3.99 2.20 0.04 -1.91 -3.44 116.94 127.10 1qwv h PHE 36 Ca -0.22 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.08 1qwv h PHE 36 Cb 1.20 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.36 1qwv h PHE 36 CO 1.01 0.06 0.38 1.67 -0.60 0.00 0.00 178.31 180.83 1qwv s TRP 37 N -3.51 3.28 -1.21 -0.55 -2.14 -1.26 -4.92 118.94 108.63 1qwv s TRP 37 Ca 0.03 1.64 -0.15 0.00 2.66 0.00 0.00 56.10 60.28 1qwv s TRP 37 Cb 0.08 -3.03 -0.05 0.00 -3.10 0.00 0.00 33.47 27.37 1qwv s TRP 37 CO 0.60 -0.45 2.22 0.36 -2.66 0.00 0.00 176.95 177.02 1qwv n LYS 38 N -0.29 2.46 -0.28 3.25 2.85 -1.26 -4.77 118.16 120.13 1qwv n LYS 38 Ca 0.06 -2.18 -0.01 0.00 -1.05 0.00 0.00 58.31 55.13 1qwv n LYS 38 Cb 0.51 -3.01 0.06 0.00 -0.65 0.00 0.00 35.03 31.94 1qwv n LYS 38 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1qwv h ASP 39 N 6.49 -1.04 -0.37 -5.58 1.82 -1.91 -3.43 116.42 112.40 1qwv h ASP 39 Ca 0.56 0.26 -0.15 0.00 -0.39 0.00 0.00 57.03 57.31 1qwv h ASP 39 Cb 0.55 0.59 -0.06 0.00 0.68 0.00 0.00 39.33 41.09 1qwv h ASP 39 CO 1.85 -0.29 -0.13 -0.67 -1.61 0.00 0.00 179.24 178.39 1qwv n ASP 40 N -5.49 -3.81 -4.37 2.28 2.03 -1.26 -0.78 116.55 105.15 1qwv n ASP 40 Ca 0.09 0.17 -0.27 0.00 0.52 0.00 0.00 54.79 55.30 1qwv n ASP 40 Cb 0.39 -1.99 0.15 0.00 -0.72 0.00 0.00 41.12 38.95 1qwv n ASP 40 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1qwv s TYR 41 N -2.27 1.58 -0.15 -0.67 1.13 -1.26 -4.26 117.35 111.45 1qwv s TYR 41 Ca 0.00 0.06 -0.20 0.00 -1.41 0.00 0.00 57.07 55.51 1qwv s TYR 41 Cb 0.00 -3.63 -0.03 0.00 -1.10 0.00 0.00 41.96 37.20 1qwv s TYR 41 CO 0.00 -2.25 0.58 0.08 -2.51 0.00 0.00 175.55 171.45 1qwv s VAL 42 N -3.57 5.09 -0.55 -3.49 1.01 -1.26 -5.01 120.40 112.63 1qwv s VAL 42 Ca 0.71 1.13 -0.27 0.00 0.00 0.00 0.00 61.98 63.55 1qwv s VAL 42 Cb -0.04 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 1qwv s VAL 42 CO 0.49 0.21 1.70 -0.32 0.00 0.00 0.00 175.10 177.18 1qwv s MET 43 N 1.29 2.98 -0.05 2.72 1.75 -1.26 -4.84 119.30 121.89 1qwv s MET 43 Ca 0.29 0.70 -0.13 0.00 -1.25 0.00 0.00 55.69 55.29 1qwv s MET 43 Cb -0.16 -4.27 -0.31 0.00 2.84 0.00 0.00 34.83 32.93 1qwv s MET 43 CO 0.12 -2.31 0.72 1.79 -0.65 0.00 0.00 175.02 174.68 1qwv h THR 44 N 6.70 1.05 -3.51 10.11 1.35 -1.98 -3.44 112.91 123.19 1qwv h THR 44 Ca -0.28 -2.52 -0.62 0.00 -0.55 0.00 0.00 66.41 62.44 1qwv h THR 44 Cb 1.14 2.83 -0.12 0.00 -1.73 0.00 0.00 68.15 70.27 1qwv h THR 44 CO 1.17 0.82 0.24 -0.62 -0.25 0.00 0.00 175.52 176.88 1qwv s ASP 45 N -7.29 6.54 0.36 5.36 -1.08 -1.26 -4.92 116.67 114.37 1qwv s ASP 45 Ca -0.15 0.44 0.09 0.00 -0.52 0.00 0.00 52.55 52.41 1qwv s ASP 45 Cb 0.05 -2.36 0.82 0.00 -1.46 0.00 0.00 42.92 39.97 1qwv s ASP 45 CO 0.85 -0.56 1.87 0.08 0.52 0.00 0.00 175.17 177.94 1qwv h ARG 46 N 8.24 0.67 0.00 4.34 -0.00 -1.91 -1.74 114.38 123.98 1qwv h ARG 46 Ca -0.26 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.68 1qwv h ARG 46 Cb 1.11 -0.15 0.00 0.00 -0.00 0.00 0.00 29.97 30.93 1qwv h ARG 46 CO 0.84 0.44 0.00 1.25 -0.00 0.00 0.00 179.97 182.50 1qwv h LEU 47 N 0.69 0.00 0.00 0.08 5.85 -1.91 -0.85 115.31 119.17 1qwv h LEU 47 Ca 0.44 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.16 1qwv h LEU 47 Cb 0.71 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1qwv h LEU 47 CO -0.20 0.00 -0.04 0.00 -0.34 0.00 0.00 178.44 177.86 1qwv h ALA 48 N 2.16 0.01 -0.99 1.25 0.00 -1.65 -2.65 119.26 117.38 1qwv h ALA 48 Ca 0.00 -0.44 0.29 0.00 0.00 0.00 0.00 54.91 54.76 1qwv h ALA 48 Cb 0.25 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.88 1qwv h ALA 48 CO 0.00 0.02 0.09 0.78 0.00 0.00 0.00 179.25 180.14 1qwv h GLY 49 N -1.00 1.37 0.95 0.00 0.00 -1.25 0.28 103.07 103.42 1qwv h GLY 49 Ca -0.01 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1qwv h GLY 49 CO -0.01 -0.55 0.17 0.00 0.00 0.00 0.00 176.54 176.15 1qwv n ALA 51 N -2.24 2.65 0.26 0.00 0.00 0.02 -2.63 120.51 118.57 1qwv n ALA 51 Ca -0.01 -0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.36 1qwv n ALA 51 Cb 0.09 -1.42 0.71 0.00 0.00 0.00 0.00 19.45 18.83 1qwv n ALA 51 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1qwv h ILE 52 N 0.07 0.75 -1.95 0.00 6.09 -0.20 -3.34 117.51 118.94 1qwv h ILE 52 Ca 0.00 -0.34 -0.41 0.00 -1.37 0.00 0.00 64.86 62.74 1qwv h ILE 52 Cb 0.01 1.20 -0.31 0.00 0.47 0.00 0.00 36.82 38.20 1qwv h ILE 52 CO 0.00 0.09 -0.74 0.21 -3.07 0.00 0.00 178.15 174.63 1qwv s ASN 53 N -6.49 0.94 -0.25 2.19 2.47 -1.08 -4.71 114.94 108.01 1qwv s ASN 53 Ca -0.04 -2.03 -0.06 0.00 0.42 0.00 0.00 52.86 51.15 1qwv s ASN 53 Cb 0.15 0.45 -0.13 0.00 -1.45 0.00 0.00 41.25 40.27 1qwv s ASN 53 CO 0.61 -0.21 -0.27 0.00 -3.72 0.00 0.00 177.10 173.51 1qwv h LEU 55 N -0.48 0.56 0.00 0.00 3.38 -1.92 -1.10 115.31 115.75 1qwv h LEU 55 Ca -0.59 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 56.88 1qwv h LEU 55 Cb 1.69 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1qwv h LEU 55 CO -0.25 0.94 -0.04 0.00 0.09 0.00 0.00 178.44 179.18 1qwv n ALA 56 N -2.47 2.36 0.08 1.53 0.00 -1.26 -1.96 120.51 118.80 1qwv n ALA 56 Ca -0.05 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.13 1qwv n ALA 56 Cb 0.43 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.29 1qwv n ALA 56 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1qwv h THR 57 N 0.00 1.20 0.00 0.00 2.02 -1.69 -3.30 112.91 111.14 1qwv h THR 57 Ca 0.00 -2.79 -0.02 0.00 0.77 0.00 0.00 66.41 64.37 1qwv h THR 57 Cb 0.66 2.83 -0.00 0.00 -1.74 0.00 0.00 68.15 69.90 1qwv h THR 57 CO 0.00 0.84 -0.08 0.11 0.37 0.00 0.00 175.52 176.75 1qwv h LYS 58 N 0.09 0.00 0.32 6.66 1.57 -0.83 -3.27 116.57 121.11 1qwv h LYS 58 Ca -0.24 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1qwv h LYS 58 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.35 1qwv h LYS 58 CO 0.19 0.08 -0.16 -0.07 -0.57 0.00 0.00 179.45 178.92 1qwv h LEU 59 N 0.00 -0.37 -6.07 2.94 3.38 -1.47 -3.48 115.31 110.24 1qwv h LEU 59 Ca -0.00 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.23 1qwv h LEU 59 Cb 0.64 0.10 -0.23 0.00 0.09 0.00 0.00 40.66 41.26 1qwv h LEU 59 CO 0.01 -0.21 0.26 -0.62 0.09 0.00 0.00 178.44 177.98 1qwv s ASP 60 N -3.19 -0.30 -0.03 -0.43 -1.08 -1.23 -5.06 116.67 105.35 1qwv s ASP 60 Ca -0.06 0.25 0.01 0.00 -0.52 0.00 0.00 52.55 52.23 1qwv s ASP 60 Cb 0.01 1.28 0.03 0.00 -1.46 0.00 0.00 42.92 42.77 1qwv s ASP 60 CO 0.19 -0.06 0.40 0.55 0.52 0.00 0.00 175.17 176.77 1qwv n VAL 61 N 5.24 0.00 -3.72 1.11 3.14 -1.26 -4.88 118.33 117.98 1qwv n VAL 61 Ca -0.08 -0.08 -0.37 0.00 -2.96 0.00 0.00 64.34 60.86 1qwv n VAL 61 Cb 0.54 0.28 -0.12 0.00 -1.06 0.00 0.00 33.84 33.49 1qwv n VAL 61 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1qwv s VAL 62 N 0.01 4.72 -0.03 1.55 -7.23 -1.26 -4.01 120.40 114.15 1qwv s VAL 62 Ca 0.01 -0.03 -0.20 0.00 -1.81 0.00 0.00 61.98 59.94 1qwv s VAL 62 Cb 0.03 -3.22 -0.14 0.00 0.56 0.00 0.00 36.38 33.62 1qwv s VAL 62 CO -0.01 0.32 0.88 -0.78 -0.31 0.00 0.00 175.10 175.19 1qwv h ASP 63 N 8.15 -0.31 0.00 4.85 3.58 -1.86 -3.47 116.42 127.35 1qwv h ASP 63 Ca -0.37 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 56.87 1qwv h ASP 63 Cb 1.18 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.31 1qwv h ASP 63 CO 0.58 0.17 0.00 -0.81 -2.88 0.00 0.00 179.24 176.30 1qwv n PRO 64 N -5.04 2.90 0.00 0.28 -0.05 -1.26 -4.90 135.00 126.93 1qwv n PRO 64 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.37 1qwv n PRO 64 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.70 1qwv n PRO 64 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 1qwv n ASP 65 N 0.00 0.15 0.00 3.54 8.00 -1.26 -4.81 116.55 122.18 1qwv n ASP 65 Ca 0.00 -1.57 0.00 0.00 0.71 0.00 0.00 54.79 53.93 1qwv n ASP 65 Cb 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1qwv n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qwv n GLY 66 N 0.25 2.12 3.83 0.44 0.00 -1.26 -5.10 105.19 105.47 1qwv n GLY 66 Ca 0.00 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 1qwv n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qwv s ASN 67 N -0.64 6.14 -0.69 1.61 4.22 -1.26 -4.30 114.94 120.02 1qwv s ASN 67 Ca 0.00 1.63 -0.04 0.00 -2.14 0.00 0.00 52.86 52.31 1qwv s ASN 67 Cb 0.00 -2.51 0.00 0.00 1.28 0.00 0.00 41.25 40.03 1qwv s ASN 67 CO 0.00 -0.92 0.60 0.18 -2.04 0.00 0.00 177.10 174.91 1qwv n LEU 68 N -2.09 -2.77 -4.58 3.54 7.99 -1.26 -4.52 117.00 113.31 1qwv n LEU 68 Ca 0.07 -0.28 -0.40 0.00 -0.01 0.00 0.00 56.01 55.39 1qwv n LEU 68 Cb 0.54 -1.81 -0.01 0.00 -0.11 0.00 0.00 43.42 42.03 1qwv n LEU 68 CO 0.49 0.32 1.89 -1.38 -1.51 0.00 0.00 177.39 177.21 1qwv s HIS 69 N -3.17 2.64 -0.09 -1.77 -3.43 -1.26 -4.65 115.29 103.56 1qwv s HIS 69 Ca 0.26 -1.27 -0.05 0.00 -0.80 0.00 0.00 55.06 53.21 1qwv s HIS 69 Cb -0.11 -4.63 -0.02 0.00 -1.43 0.00 0.00 32.58 26.39 1qwv s HIS 69 CO 0.37 -1.71 -0.09 1.25 -2.00 0.00 0.00 174.74 172.57 1qwv h HIS 70 N 7.95 0.00 0.42 0.38 6.17 -1.91 -3.31 115.15 124.84 1qwv h HIS 70 Ca 0.41 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.47 1qwv h HIS 70 Cb 0.88 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.81 1qwv h HIS 70 CO 1.39 0.00 -0.24 0.78 0.71 0.00 0.00 177.93 180.57 1qwv h GLY 71 N -0.74 -0.65 0.94 5.26 0.00 -1.96 -2.49 103.07 103.43 1qwv h GLY 71 Ca 0.00 0.27 0.10 0.00 0.00 0.00 0.00 47.33 47.70 1qwv h GLY 71 CO 0.00 -0.24 0.45 -0.57 0.00 0.00 0.00 176.54 176.18 1qwv h ASN 72 N -0.62 0.46 -0.18 0.19 -0.73 -1.85 0.21 115.58 113.06 1qwv h ASN 72 Ca -0.05 0.01 -0.09 0.00 1.87 0.00 0.00 56.30 58.04 1qwv h ASN 72 Cb 0.50 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.99 1qwv h ASN 72 CO 0.06 0.27 -0.19 0.00 -0.37 0.00 0.00 177.43 177.20 1qwv h ALA 73 N 1.66 1.05 0.25 1.57 0.00 -1.55 0.44 119.26 122.69 1qwv h ALA 73 Ca 0.32 -0.33 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 1qwv h ALA 73 Cb 0.55 -0.14 0.04 0.00 0.00 0.00 0.00 17.79 18.23 1qwv h ALA 73 CO -0.10 0.57 -1.47 0.87 0.00 0.00 0.00 179.25 179.13 1qwv h LYS 74 N 0.55 0.56 -0.70 0.00 1.79 -0.84 -2.46 116.57 115.48 1qwv h LYS 74 Ca 0.09 -0.93 -0.07 0.00 -2.18 0.00 0.00 60.65 57.56 1qwv h LYS 74 Cb 0.63 0.34 -0.03 0.00 -1.58 0.00 0.00 32.23 31.60 1qwv h LYS 74 CO 0.04 1.44 0.16 0.22 -1.08 0.00 0.00 179.45 180.24 1qwv h ASP 75 N 0.16 1.06 -0.93 0.86 3.58 -0.88 -0.81 116.42 119.46 1qwv h ASP 75 Ca -0.25 -0.23 0.05 0.00 0.42 0.00 0.00 57.03 57.02 1qwv h ASP 75 Cb 2.15 -0.28 -0.06 0.00 1.72 0.00 0.00 39.33 42.86 1qwv h ASP 75 CO 0.28 1.02 0.60 0.15 -2.88 0.00 0.00 179.24 178.40 1qwv h PHE 76 N 1.06 1.11 -0.37 0.28 3.57 -0.14 0.21 116.94 122.65 1qwv h PHE 76 Ca 0.22 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.60 1qwv h PHE 76 Cb 0.38 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1qwv h PHE 76 CO 0.03 0.60 -0.36 0.00 -2.23 0.00 0.00 178.31 176.36 1qwv h ALA 77 N 1.41 0.66 -0.36 2.41 0.00 -0.91 0.14 119.26 122.60 1qwv h ALA 77 Ca 0.39 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1qwv h ALA 77 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1qwv h ALA 77 CO -0.15 0.67 -0.41 0.52 0.00 0.00 0.00 179.25 179.88 1qwv h MET 78 N 0.72 0.89 -0.00 0.00 2.86 -0.59 0.23 114.93 119.04 1qwv h MET 78 Ca 0.07 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1qwv h MET 78 Cb 0.93 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.61 1qwv h MET 78 CO 0.09 1.13 -0.42 1.17 1.06 0.00 0.00 176.91 179.93 1qwv n LYS 79 N -4.05 0.11 -3.42 1.72 4.81 0.67 -4.48 118.16 113.52 1qwv n LYS 79 Ca -0.02 -0.06 -0.23 0.00 -0.87 0.00 0.00 58.31 57.12 1qwv n LYS 79 Cb 0.55 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 34.00 1qwv n LYS 79 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1qwv s HIS 80 N -2.93 0.21 0.00 5.64 3.76 0.48 -5.00 115.29 117.44 1qwv s HIS 80 Ca 0.13 -1.17 0.00 0.00 -0.15 0.00 0.00 55.06 53.87 1qwv s HIS 80 Cb 0.18 -0.68 0.00 0.00 1.11 0.00 0.00 32.58 33.19 1qwv s HIS 80 CO 0.66 -0.89 0.00 0.41 -0.85 0.00 0.00 174.74 174.07 1qwv n GLY 81 N 4.26 2.39 3.76 -2.22 0.00 -1.22 -4.40 105.19 107.76 1qwv n GLY 81 Ca 0.10 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 1qwv n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwv s ALA 82 N -1.23 3.42 0.53 4.61 0.00 0.80 -4.95 121.76 124.95 1qwv s ALA 82 Ca 0.00 0.28 -0.16 0.00 0.00 0.00 0.00 51.96 52.08 1qwv s ALA 82 Cb 0.00 -2.94 -0.07 0.00 0.00 0.00 0.00 23.12 20.11 1qwv s ALA 82 CO 0.00 0.18 1.00 0.16 0.00 0.00 0.00 175.76 177.10 1qwv s ASP 83 N -0.55 6.47 0.15 0.00 -4.77 -1.26 -3.76 116.67 112.96 1qwv s ASP 83 Ca 0.36 1.59 -0.14 0.00 -3.30 0.00 0.00 52.55 51.07 1qwv s ASP 83 Cb -0.21 -2.51 0.03 0.00 -1.09 0.00 0.00 42.92 39.14 1qwv s ASP 83 CO 0.24 -0.69 1.70 1.05 0.70 0.00 0.00 175.17 178.16 1qwv h GLU 84 N 0.75 0.74 -0.67 2.11 9.09 -1.94 0.28 114.58 124.93 1qwv h GLU 84 Ca -0.47 -0.14 0.13 0.00 0.05 0.00 0.00 59.36 58.93 1qwv h GLU 84 Cb 1.19 -0.12 -0.09 0.00 -1.65 0.00 0.00 28.75 28.08 1qwv h GLU 84 CO 0.61 0.67 0.21 1.15 0.05 0.00 0.00 179.01 181.69 1qwv h THR 85 N 0.65 0.64 0.02 -1.06 2.02 -1.97 1.01 112.91 114.23 1qwv h THR 85 Ca 0.16 -0.12 -0.27 0.00 0.77 0.00 0.00 66.41 66.96 1qwv h THR 85 Cb 0.21 0.27 0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1qwv h THR 85 CO -0.01 0.06 -1.07 0.00 0.37 0.00 0.00 175.52 174.87 1qwv h MET 86 N 0.34 0.65 -0.60 6.66 -0.00 -1.55 -1.97 114.93 118.46 1qwv h MET 86 Ca 0.36 -0.73 -0.01 0.00 -0.00 0.00 0.00 59.70 59.32 1qwv h MET 86 Cb 0.54 0.21 -0.03 0.00 -0.00 0.00 0.00 31.60 32.33 1qwv h MET 86 CO -0.41 1.31 0.34 0.00 -0.00 0.00 0.00 176.91 178.15 1qwv h ALA 87 N 0.43 1.46 0.00 -3.00 0.00 -0.04 -1.59 119.26 116.52 1qwv h ALA 87 Ca -0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1qwv h ALA 87 Cb 1.73 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1qwv h ALA 87 CO 0.21 0.45 -0.28 1.96 0.00 0.00 0.00 179.25 181.58 1qwv h GLN 88 N 0.83 0.00 0.00 0.00 7.50 0.13 0.56 115.11 124.13 1qwv h GLN 88 Ca 0.22 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.28 1qwv h GLN 88 Cb 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.53 1qwv h GLN 88 CO -0.04 0.28 -0.40 1.96 -1.50 0.00 0.00 178.83 179.13 1qwv h GLN 89 N 0.00 0.00 0.06 1.46 1.08 -0.54 -3.15 115.11 114.03 1qwv h GLN 89 Ca -0.00 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.95 1qwv h GLN 89 Cb 0.76 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 1qwv h GLN 89 CO 0.04 0.40 -1.28 1.25 -0.95 0.00 0.00 178.83 178.29 1qwv h LEU 90 N 0.00 0.21 -2.05 1.46 5.85 -0.58 -3.38 115.31 116.82 1qwv h LEU 90 Ca -0.00 -0.76 -0.01 0.00 0.84 0.00 0.00 57.88 57.95 1qwv h LEU 90 Cb 1.21 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1qwv h LEU 90 CO 0.05 1.54 -0.04 -0.37 -0.34 0.00 0.00 178.44 179.28 1qwv h VAL 91 N -0.58 0.88 -0.45 1.05 -1.51 -0.03 -0.80 116.25 114.82 1qwv h VAL 91 Ca -0.30 -0.14 -0.03 0.00 -1.23 0.00 0.00 66.70 65.00 1qwv h VAL 91 Cb 1.55 1.08 -0.02 0.00 -2.13 0.00 0.00 31.29 31.77 1qwv h VAL 91 CO -0.04 0.04 0.15 -0.78 -1.23 0.00 0.00 177.57 175.71 1qwv h ASP 92 N 0.00 0.64 -0.46 4.19 1.82 -1.71 0.93 116.42 121.84 1qwv h ASP 92 Ca -0.00 -0.20 -0.10 0.00 -0.39 0.00 0.00 57.03 56.34 1qwv h ASP 92 Cb 0.07 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 1qwv h ASP 92 CO 0.00 0.67 -0.12 0.40 -1.61 0.00 0.00 179.24 178.58 1qwv h ILE 93 N 0.58 1.27 -0.39 2.25 5.03 -1.48 -1.89 117.51 122.88 1qwv h ILE 93 Ca 0.15 -1.25 0.04 0.00 -0.12 0.00 0.00 64.86 63.67 1qwv h ILE 93 Cb 0.25 1.13 -0.04 0.00 -3.03 0.00 0.00 36.82 35.14 1qwv h ILE 93 CO -0.01 0.43 0.18 0.40 -0.68 0.00 0.00 178.15 178.47 1qwv h ILE 94 N 0.72 0.94 -0.14 -0.67 2.04 -0.76 0.20 117.51 119.85 1qwv h ILE 94 Ca 0.11 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.72 1qwv h ILE 94 Cb 0.67 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1qwv h ILE 94 CO 0.05 0.07 -0.48 0.45 0.00 0.00 0.00 178.15 178.24 1qwv h HIS 95 N 0.37 0.44 0.00 1.37 3.86 -0.74 -1.86 115.15 118.58 1qwv h HIS 95 Ca 0.17 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1qwv h HIS 95 Cb 0.11 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 1qwv h HIS 95 CO -0.12 0.77 -0.19 0.78 0.86 0.00 0.00 177.93 180.04 1qwv h GLY 96 N 1.22 0.00 1.89 2.45 0.00 -0.77 -2.38 103.07 105.48 1qwv h GLY 96 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 1qwv h GLY 96 CO 0.08 0.00 -0.66 0.00 0.00 0.00 0.00 176.54 175.96 1qwv h GLU 98 N 0.08 0.65 -0.50 0.00 4.81 -1.46 0.15 114.58 118.31 1qwv h GLU 98 Ca -0.01 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 1qwv h GLU 98 Cb 1.18 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1qwv h GLU 98 CO 0.09 0.86 0.14 -0.22 -0.73 0.00 0.00 179.01 179.15 1qwv h LYS 99 N 0.56 0.79 -0.65 1.92 3.64 -1.05 -3.01 116.57 118.77 1qwv h LYS 99 Ca 0.07 -0.18 -0.23 0.00 -1.27 0.00 0.00 60.65 59.04 1qwv h LYS 99 Cb 0.77 -0.11 -0.14 0.00 -0.41 0.00 0.00 32.23 32.34 1qwv h LYS 99 CO 0.06 0.75 0.23 0.43 -2.27 0.00 0.00 179.45 178.65 1qwv n SER 100 N -4.48 4.12 -4.76 4.20 7.64 -0.17 -5.00 113.62 115.17 1qwv n SER 100 Ca 0.01 -3.36 -0.33 0.00 1.01 0.00 0.00 58.87 56.21 1qwv n SER 100 Cb 0.21 -0.71 0.06 0.00 -1.01 0.00 0.00 64.21 62.75 1qwv n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qwv s ALA 101 N -3.07 2.36 0.78 -0.43 0.00 0.52 -4.96 121.76 116.97 1qwv s ALA 101 Ca 0.52 0.58 -0.15 0.00 0.00 0.00 0.00 51.96 52.91 1qwv s ALA 101 Cb 0.43 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1qwv s ALA 101 CO 0.10 -1.46 0.69 -2.30 0.00 0.00 0.00 175.76 172.79 1qwv n PRO 102 N -2.61 0.20 0.00 0.00 -0.02 -1.26 -4.81 135.00 126.49 1qwv n PRO 102 Ca 0.11 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1qwv n PRO 102 Cb 0.52 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1qwv n PRO 102 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1qwv n PRO 103 N -1.52 0.51 -3.50 0.52 -0.02 -1.26 -4.44 135.00 125.30 1qwv n PRO 103 Ca 0.10 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.16 1qwv n PRO 103 Cb 0.51 -1.25 -0.06 0.00 -0.02 0.00 0.00 33.50 32.67 1qwv n PRO 103 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1qwv s ASN 104 N 0.20 6.00 -0.86 2.55 0.01 -1.26 -5.02 114.94 116.56 1qwv s ASN 104 Ca 0.00 -2.48 -0.25 0.00 -0.71 0.00 0.00 52.86 49.41 1qwv s ASN 104 Cb 0.00 -2.06 0.04 0.00 0.41 0.00 0.00 41.25 39.64 1qwv s ASN 104 CO 0.00 -0.56 1.38 -0.62 -1.51 0.00 0.00 177.10 175.79 1qwv s ASP 105 N 1.95 6.26 -0.25 -1.22 -1.08 -1.26 -4.89 116.67 116.19 1qwv s ASP 105 Ca 0.13 -0.87 -0.08 0.00 -0.52 0.00 0.00 52.55 51.22 1qwv s ASP 105 Cb -0.19 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.68 1qwv s ASP 105 CO -0.04 -1.73 0.08 -0.62 0.52 0.00 0.00 175.17 173.38 1qwv s ASP 106 N 4.49 5.22 0.00 -0.34 -1.08 -1.26 -5.03 116.67 118.67 1qwv s ASP 106 Ca 0.41 -0.18 0.00 0.00 -0.52 0.00 0.00 52.55 52.26 1qwv s ASP 106 Cb -0.05 -1.94 0.00 0.00 -1.46 0.00 0.00 42.92 39.47 1qwv s ASP 106 CO 0.04 -0.03 0.37 1.17 0.52 0.00 0.00 175.17 177.24 1qwv n LYS 107 N 4.88 0.00 0.00 4.34 0.00 -1.26 -1.63 118.16 124.49 1qwv n LYS 107 Ca -0.16 0.37 0.11 0.00 0.00 0.00 0.00 58.31 58.63 1qwv n LYS 107 Cb 0.51 -0.60 0.03 0.00 0.00 0.00 0.00 35.03 34.98 1qwv n LYS 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qwv h MET 109 N 1.14 0.00 -0.57 0.00 1.85 -1.62 -3.35 114.93 112.39 1qwv h MET 109 Ca 0.00 0.00 0.05 0.00 -0.61 0.00 0.00 59.70 59.14 1qwv h MET 109 Cb 0.61 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.59 1qwv h MET 109 CO 0.00 0.71 0.30 1.57 -0.40 0.00 0.00 176.91 179.09 1qwv h LYS 110 N 0.00 0.55 0.00 0.39 -0.00 -1.70 0.16 116.57 115.97 1qwv h LYS 110 Ca -0.06 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.55 1qwv h LYS 110 Cb 1.68 -0.12 0.00 0.00 -0.00 0.00 0.00 32.23 33.79 1qwv h LYS 110 CO 0.10 0.36 0.03 -2.37 -0.00 0.00 0.00 179.45 177.57 1qwv n THR 111 N -4.85 1.78 -0.01 0.07 5.66 -1.25 -0.87 114.28 114.79 1qwv n THR 111 Ca 0.06 0.53 -0.20 0.00 -3.05 0.00 0.00 64.05 61.38 1qwv n THR 111 Cb 0.15 -1.53 -0.14 0.00 -1.55 0.00 0.00 70.33 67.27 1qwv n THR 111 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1qwv n ILE 112 N -1.56 1.74 -0.31 1.09 -0.00 0.54 -1.72 119.36 119.13 1qwv n ILE 112 Ca -0.00 -0.65 0.02 0.00 -0.00 0.00 0.00 62.75 62.12 1qwv n ILE 112 Cb 0.03 -1.66 0.21 0.00 -0.00 0.00 0.00 39.64 38.22 1qwv n ILE 112 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 1qwv h ASP 113 N 0.06 0.96 0.68 4.38 3.32 -0.85 0.88 116.42 125.86 1qwv h ASP 113 Ca -0.44 -0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.34 1qwv h ASP 113 Cb 2.02 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 41.32 1qwv h ASP 113 CO 0.07 0.64 -1.39 -0.37 -1.72 0.00 0.00 179.24 176.47 1qwv h VAL 114 N 1.11 1.25 -0.34 -1.35 -1.51 -1.35 -2.82 116.25 111.23 1qwv h VAL 114 Ca 0.38 -3.00 -0.00 0.00 -1.23 0.00 0.00 66.70 62.84 1qwv h VAL 114 Cb 0.09 2.66 -0.02 0.00 -2.13 0.00 0.00 31.29 31.89 1qwv h VAL 114 CO -0.13 0.76 0.20 0.00 -1.23 0.00 0.00 177.57 177.17 1qwv h ALA 115 N 0.88 0.44 0.00 5.19 0.00 -0.97 -1.38 119.26 123.41 1qwv h ALA 115 Ca -0.17 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1qwv h ALA 115 Cb 1.92 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 1qwv h ALA 115 CO 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 179.25 179.29 1qwv h MET 116 N 0.44 0.00 -0.01 0.00 -0.00 -0.88 0.04 114.93 114.51 1qwv h MET 116 Ca 0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.73 1qwv h MET 116 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.61 1qwv h MET 116 CO -0.02 0.02 -0.43 0.00 -0.00 0.00 0.00 176.91 176.48 1qwv h PHE 118 N 0.02 0.07 0.00 0.00 3.57 -0.20 -2.58 116.94 117.82 1qwv h PHE 118 Ca -0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1qwv h PHE 118 Cb 0.77 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.51 1qwv h PHE 118 CO 0.00 0.90 0.00 1.57 -2.23 0.00 0.00 178.31 178.55 1qwv h LYS 119 N -0.78 0.00 0.40 1.11 5.09 -1.44 0.16 116.57 121.11 1qwv h LYS 119 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.71 1qwv h LYS 119 Cb 0.92 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.25 1qwv h LYS 119 CO 0.01 0.00 -0.19 0.87 -2.09 0.00 0.00 179.45 178.05 1qwv h LYS 120 N 0.00 -0.51 -0.16 0.07 6.56 -1.13 0.87 116.57 122.26 1qwv h LYS 120 Ca 0.00 0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.64 1qwv h LYS 120 Cb 0.45 0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 32.21 1qwv h LYS 120 CO 0.00 -0.28 0.05 0.93 -2.06 0.00 0.00 179.45 178.10 1qwv h GLU 121 N -0.65 0.13 -0.52 3.15 4.39 -0.97 -0.56 114.58 119.55 1qwv h GLU 121 Ca -0.05 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.69 1qwv h GLU 121 Cb 0.47 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1qwv h GLU 121 CO 0.09 0.09 0.35 0.97 -1.16 0.00 0.00 179.01 179.34 1qwv h ILE 122 N 0.13 1.00 -0.04 3.13 -0.00 -0.70 0.57 117.51 121.60 1qwv h ILE 122 Ca 0.07 -0.17 -0.14 0.00 -0.00 0.00 0.00 64.86 64.62 1qwv h ILE 122 Cb 0.04 0.46 -0.01 0.00 -0.00 0.00 0.00 36.82 37.31 1qwv h ILE 122 CO -0.07 0.09 -0.60 0.45 -0.00 0.00 0.00 178.15 178.01 1qwv h HIS 123 N 0.49 0.18 -0.44 2.19 3.86 -0.40 -1.07 115.15 119.95 1qwv h HIS 123 Ca 0.22 -0.07 -0.10 0.00 -1.16 0.00 0.00 60.37 59.27 1qwv h HIS 123 Cb 0.25 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1qwv h HIS 123 CO -0.00 0.71 -0.12 -0.22 0.86 0.00 0.00 177.93 179.16 1qwv h LYS 124 N 0.10 0.80 -0.37 2.45 1.63 0.63 -2.27 116.57 119.54 1qwv h LYS 124 Ca -0.01 -0.27 -0.10 0.00 -0.85 0.00 0.00 60.65 59.43 1qwv h LYS 124 Cb 1.09 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.64 1qwv h LYS 124 CO 0.09 0.88 -0.17 -0.07 -3.45 0.00 0.00 179.45 176.72 1qwv h LEU 125 N 0.72 0.68 -1.18 5.20 3.38 -0.89 -3.50 115.31 119.73 1qwv h LEU 125 Ca 0.12 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1qwv h LEU 125 Cb 0.60 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1qwv h LEU 125 CO 0.04 0.86 -0.38 -3.20 0.09 0.00 0.00 178.44 175.86 1qwv n ASN 126 N -4.14 -4.75 -0.61 -0.43 5.15 -0.42 -5.00 115.26 105.07 1qwv n ASN 126 Ca 0.01 0.54 0.03 0.00 -0.60 0.00 0.00 54.58 54.56 1qwv n ASN 126 Cb 0.39 -2.60 0.04 0.00 -0.53 0.00 0.00 39.78 37.09 1qwv n ASN 126 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 1qwv n TRP 127 N 0.75 0.00 -2.03 1.20 4.27 -1.26 -5.03 117.44 115.34 1qwv n TRP 127 Ca 0.00 -0.36 -0.00 0.00 -3.89 0.00 0.00 57.50 53.25 1qwv n TRP 127 Cb 0.00 -0.10 -0.00 0.00 -1.36 0.00 0.00 31.31 29.85 1qwv n TRP 127 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 1qwv n VAL 128 N -0.24 -6.44 -1.28 -1.67 0.31 -1.26 -5.04 118.33 102.71 1qwv n VAL 128 Ca 0.05 0.83 -0.30 0.00 -0.01 0.00 0.00 64.34 64.90 1qwv n VAL 128 Cb 0.77 -5.28 0.10 0.00 -0.91 0.00 0.00 33.84 28.52 1qwv n VAL 128 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1qwv s PRO 129 N -0.72 1.95 0.00 5.55 0.02 -1.26 -5.04 135.00 135.50 1qwv s PRO 129 Ca -0.00 0.99 0.00 0.00 0.02 0.00 0.00 61.00 62.01 1qwv s PRO 129 Cb 0.00 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1qwv s PRO 129 CO 0.34 -1.81 0.00 0.09 -0.33 0.00 0.00 177.00 175.30 1qwv n ASN 130 N -3.61 0.00 -3.22 2.53 3.02 -1.26 -5.06 115.26 107.66 1qwv n ASN 130 Ca 0.08 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.37 1qwv n ASN 130 Cb 0.54 -0.04 0.02 0.00 -0.61 0.00 0.00 39.78 39.69 1qwv n ASN 130 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1qwv n MET 131 N -1.89 -1.36 -2.60 3.52 0.00 0.04 -4.84 117.12 109.99 1qwv n MET 131 Ca 0.00 0.86 -0.42 0.00 0.00 0.00 0.00 57.70 58.13 1qwv n MET 131 Cb 0.00 -1.63 -0.03 0.00 0.00 0.00 0.00 33.22 31.57 1qwv n MET 131 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1qwv s ASP 132 N -1.89 6.42 -0.54 3.17 2.15 -1.22 -4.97 116.67 119.79 1qwv s ASP 132 Ca 0.16 0.03 -0.28 0.00 0.43 0.00 0.00 52.55 52.90 1qwv s ASP 132 Cb -0.02 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1qwv s ASP 132 CO 0.69 -1.49 1.52 -0.22 -0.17 0.00 0.00 175.17 175.51 1qwv s LEU 133 N 4.93 3.40 0.00 -1.34 2.96 -1.26 -4.81 118.68 122.56 1qwv s LEU 133 Ca 0.41 0.40 0.25 0.00 -0.22 0.00 0.00 54.13 54.97 1qwv s LEU 133 Cb -0.08 -3.02 1.24 0.00 0.50 0.00 0.00 46.19 44.83 1qwv s LEU 133 CO 0.24 -1.81 1.83 1.33 -1.32 0.00 0.00 176.35 176.62 1qwv n VAL 134 N 6.97 0.05 -0.86 1.68 0.24 -1.26 -5.00 118.33 120.15 1qwv n VAL 134 Ca 0.15 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1qwv n VAL 134 Cb 0.49 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 1qwv n VAL 134 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1qwv n ILE 135 N -0.39 -4.46 0.00 1.34 2.08 -1.26 -5.06 119.36 111.61 1qwv n ILE 135 Ca 0.18 1.06 0.00 0.00 0.56 0.00 0.00 62.75 64.56 1qwv n ILE 135 Cb 0.20 -2.59 0.00 0.00 -0.75 0.00 0.00 39.64 36.50 1qwv n ILE 135 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1qwv n GLY 136 N 0.29 0.27 3.44 7.39 0.00 -1.26 -5.10 105.19 110.22 1qwv n GLY 136 Ca 0.00 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 1qwv n GLY 136 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qwv s GLU 137 N 0.00 0.54 0.03 1.61 2.12 -1.26 -5.15 118.70 116.59 1qwv s GLU 137 Ca 0.00 1.00 -0.22 0.00 0.36 0.00 0.00 54.97 56.11 1qwv s GLU 137 Cb 0.00 0.07 -0.06 0.00 0.26 0.00 0.00 34.13 34.40 1qwv s GLU 137 CO 0.00 -0.16 0.65 0.08 -0.54 0.00 0.00 175.26 175.30 1qwv s VAL 138 N 1.55 4.79 -0.29 3.70 1.01 -1.26 -5.06 120.40 124.85 1qwv s VAL 138 Ca -0.10 1.38 -0.04 0.00 0.00 0.00 0.00 61.98 63.23 1qwv s VAL 138 Cb -0.07 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.34 1qwv s VAL 138 CO -0.16 0.43 0.02 -1.48 0.00 0.00 0.00 175.10 173.91 1qwv s LEU 139 N -0.35 3.70 0.24 3.92 2.34 -1.26 -5.10 118.68 122.18 1qwv s LEU 139 Ca 0.33 -0.92 0.11 0.00 0.06 0.00 0.00 54.13 53.71 1qwv s LEU 139 Cb -0.19 -1.78 -0.05 0.00 -0.56 0.00 0.00 46.19 43.61 1qwv s LEU 139 CO 0.20 -0.20 -0.20 0.00 -1.06 0.00 0.00 176.35 175.08 1qwv s ALA 140 N 1.39 2.55 0.14 1.48 0.00 -1.26 -5.15 121.76 120.91 1qwv s ALA 140 Ca -0.00 -1.76 -0.02 0.00 0.00 0.00 0.00 51.96 50.17 1qwv s ALA 140 Cb -0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1qwv s ALA 140 CO -0.00 0.29 0.10 -2.00 0.00 0.00 0.00 175.76 174.15 1qwv s GLU 141 N -3.25 0.97 0.00 0.00 2.12 -1.26 -5.35 118.70 111.93 1qwv s GLU 141 Ca 0.26 -1.39 0.29 0.00 0.36 0.00 0.00 54.97 54.48 1qwv s GLU 141 Cb -0.05 0.27 1.20 0.00 0.26 0.00 0.00 34.13 35.80 1qwv s GLU 141 CO 0.12 -0.29 1.83 1.33 -0.54 0.00 0.00 175.26 177.71