#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 1.08 0.01 -1.46 -0.04 -1.26 -4.23 135.00 129.10 1qwv n PRO 2 Ca 0.00 -0.12 -0.01 0.00 -0.04 0.00 0.00 63.50 63.32 1qwv n PRO 2 Cb 0.00 -1.40 -0.01 0.00 -0.04 0.00 0.00 33.50 32.06 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 0.27 -0.05 0.00 0.54 5.08 -2.01 -0.29 114.58 118.11 1qwv h GLU 3 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qwv h GLU 3 Cb 0.06 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1qwv h GLU 3 CO 0.00 -0.04 0.00 1.51 -1.00 0.00 0.00 179.01 179.48 1qwv n ILE 4 N -2.73 0.67 0.20 3.13 0.13 -1.26 -2.11 119.36 117.39 1qwv n ILE 4 Ca -0.01 0.14 0.09 0.00 -1.10 0.00 0.00 62.75 61.88 1qwv n ILE 4 Cb 0.03 -0.85 0.16 0.00 -0.84 0.00 0.00 39.64 38.13 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 -5.76 9.51 2.86 -1.63 -3.38 114.93 116.53 1qwv h MET 5 Ca 0.00 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 56.96 1qwv h MET 5 Cb 0.37 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.93 1qwv h MET 5 CO 0.00 0.17 2.05 0.21 1.06 0.00 0.00 176.91 180.39 1qwv s LYS 6 N -3.17 3.96 0.26 1.72 2.20 -0.16 -4.97 119.74 119.59 1qwv s LYS 6 Ca 0.06 -1.98 -0.30 0.00 -0.36 0.00 0.00 55.97 53.38 1qwv s LYS 6 Cb 0.06 -5.47 -0.11 0.00 -1.51 0.00 0.00 37.83 30.80 1qwv s LYS 6 CO 0.69 -2.20 1.56 1.21 -0.36 0.00 0.00 175.35 176.25 1qwv s ASN 7 N 4.14 6.47 0.20 1.43 3.84 -1.26 -4.87 114.94 124.89 1qwv s ASN 7 Ca 0.52 2.84 -0.11 0.00 0.21 0.00 0.00 52.86 56.32 1qwv s ASN 7 Cb 0.03 -2.62 0.23 0.00 -0.55 0.00 0.00 41.25 38.33 1qwv s ASN 7 CO 0.05 -0.86 1.75 -0.07 -2.79 0.00 0.00 177.10 175.19 1qwv h LEU 8 N 5.28 0.25 -1.39 3.21 4.07 -1.93 0.73 115.31 125.53 1qwv h LEU 8 Ca -0.46 0.06 -0.05 0.00 0.08 0.00 0.00 57.88 57.52 1qwv h LEU 8 Cb 1.22 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 1qwv h LEU 8 CO 0.82 0.16 -0.08 0.28 -1.08 0.00 0.00 178.44 178.54 1qwv h SER 9 N 0.42 0.29 0.27 -0.43 0.02 -1.91 0.29 113.55 112.50 1qwv h SER 9 Ca 0.28 -0.05 -0.21 0.00 -0.84 0.00 0.00 61.79 60.96 1qwv h SER 9 Cb 0.30 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1qwv h SER 9 CO -0.26 0.41 -0.87 -1.13 -1.14 0.00 0.00 176.83 173.84 1qwv h ASN 10 N 0.30 0.56 -0.18 3.07 -0.73 -1.53 -2.06 115.58 115.01 1qwv h ASN 10 Ca 0.06 -0.42 -0.06 0.00 1.87 0.00 0.00 56.30 57.76 1qwv h ASN 10 Cb 0.33 -0.17 -0.00 0.00 0.27 0.00 0.00 38.32 38.75 1qwv h ASN 10 CO 0.02 1.20 -0.12 -1.13 -0.37 0.00 0.00 177.43 177.02 1qwv h ASN 11 N 0.27 0.42 0.00 1.15 -0.73 -0.18 -3.31 115.58 113.20 1qwv h ASN 11 Ca -0.06 -0.44 0.00 0.00 1.87 0.00 0.00 56.30 57.67 1qwv h ASN 11 Cb 1.48 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.96 1qwv h ASN 11 CO 0.15 0.77 0.00 0.49 -0.37 0.00 0.00 177.43 178.47 1qwv n PHE 12 N -4.55 0.00 -3.85 0.67 3.72 0.95 -4.85 117.46 109.54 1qwv n PHE 12 Ca -0.05 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.04 1qwv n PHE 12 Cb 0.34 -0.10 -0.00 0.00 -0.94 0.00 0.00 39.48 38.78 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 -0.87 -0.48 0.27 1.37 0.00 -0.78 -4.88 105.19 99.82 1qwv n GLY 13 Ca 0.00 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.56 -0.59 -2.50 1.61 3.64 -1.88 -3.42 116.57 111.86 1qwv h LYS 14 Ca -0.54 0.04 -0.37 0.00 -1.27 0.00 0.00 60.65 58.51 1qwv h LYS 14 Cb 1.35 0.13 -0.36 0.00 -0.41 0.00 0.00 32.23 32.95 1qwv h LYS 14 CO 0.67 -0.31 -0.66 0.00 -2.27 0.00 0.00 179.45 176.88 1qwv s ALA 15 N -5.38 -0.13 0.18 5.00 0.00 -1.26 -5.00 121.76 115.18 1qwv s ALA 15 Ca -0.15 -0.18 -0.05 0.00 0.00 0.00 0.00 51.96 51.58 1qwv s ALA 15 Cb 0.03 -1.45 0.09 0.00 0.00 0.00 0.00 23.12 21.79 1qwv s ALA 15 CO 0.57 -1.43 1.51 0.52 0.00 0.00 0.00 175.76 176.93 1qwv h MET 16 N 8.32 0.66 0.00 0.00 2.86 -2.01 -2.98 114.93 121.78 1qwv h MET 16 Ca -0.16 -0.38 -0.04 0.00 -2.06 0.00 0.00 59.70 57.05 1qwv h MET 16 Cb 1.11 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 1qwv h MET 16 CO 0.33 0.99 -0.21 0.22 1.06 0.00 0.00 176.91 179.30 1qwv h ASP 17 N 0.52 0.00 0.73 1.22 3.58 -1.99 -1.20 116.42 119.28 1qwv h ASP 17 Ca 0.03 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.28 1qwv h ASP 17 Cb 1.03 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.05 1qwv h ASP 17 CO 0.10 0.21 -1.39 1.56 -2.88 0.00 0.00 179.24 176.83 1qwv h GLN 18 N 0.00 0.00 -0.04 0.28 1.08 -1.96 -2.36 115.11 112.11 1qwv h GLN 18 Ca -0.00 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.00 1qwv h GLN 18 Cb 0.40 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1qwv h GLN 18 CO 0.03 0.41 -0.81 0.00 -0.95 0.00 0.00 178.83 177.50 1qwv h LYS 20 N 0.24 -0.16 -0.03 0.00 3.11 -1.19 -0.95 116.57 117.59 1qwv h LYS 20 Ca -0.05 0.01 -0.16 0.00 -2.81 0.00 0.00 60.65 57.64 1qwv h LYS 20 Cb 1.41 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.67 1qwv h LYS 20 CO 0.14 -0.11 -0.72 0.22 -2.81 0.00 0.00 179.45 176.17 1qwv h ASP 21 N -0.17 0.22 -0.25 4.20 3.58 -1.48 0.15 116.42 122.66 1qwv h ASP 21 Ca -0.00 -0.15 -0.07 0.00 0.42 0.00 0.00 57.03 57.23 1qwv h ASP 21 Cb 0.15 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1qwv h ASP 21 CO -0.01 0.86 -0.11 -0.08 -2.88 0.00 0.00 179.24 177.03 1qwv h GLU 22 N 0.12 0.52 0.00 0.28 4.22 -1.26 -3.05 114.58 115.42 1qwv h GLU 22 Ca -0.02 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 59.20 1qwv h GLU 22 Cb 1.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1qwv h GLU 22 CO 0.11 0.77 -0.30 -0.07 -2.18 0.00 0.00 179.01 177.34 1qwv h LEU 23 N 0.25 0.00 -0.29 1.64 3.38 -1.17 -3.47 115.31 115.65 1qwv h LEU 23 Ca 0.06 -0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.70 1qwv h LEU 23 Cb 0.61 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.43 1qwv h LEU 23 CO 0.03 0.02 -0.45 -0.24 0.09 0.00 0.00 178.44 177.89 1qwv n SER 24 N -2.56 -4.95 -4.61 -0.43 2.88 0.42 -4.94 113.62 99.42 1qwv n SER 24 Ca 0.04 -0.30 -0.46 0.00 -1.33 0.00 0.00 58.87 56.81 1qwv n SER 24 Cb 0.48 -3.65 -0.03 0.00 -0.75 0.00 0.00 64.21 60.26 1qwv n SER 24 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1qwv n LEU 25 N -3.34 2.16 -4.75 2.46 7.99 -0.56 -4.96 117.00 116.00 1qwv n LEU 25 Ca -0.03 1.15 -0.36 0.00 -0.01 0.00 0.00 56.01 56.76 1qwv n LEU 25 Cb 0.56 -1.31 0.03 0.00 -0.11 0.00 0.00 43.42 42.59 1qwv n LEU 25 CO 0.40 -1.02 0.85 -2.84 -1.51 0.00 0.00 177.39 173.27 1qwv s PRO 26 N -0.65 3.02 0.45 3.23 0.02 -1.26 -4.85 135.00 134.95 1qwv s PRO 26 Ca 0.68 1.84 0.10 0.00 0.02 0.00 0.00 61.00 63.65 1qwv s PRO 26 Cb -0.75 -1.97 0.99 0.00 0.02 0.00 0.00 34.50 32.80 1qwv s PRO 26 CO 0.53 -1.17 2.09 0.38 -0.33 0.00 0.00 177.00 178.50 1qwv h ASP 27 N 0.98 0.31 -0.35 2.53 2.03 -2.00 -1.75 116.42 118.17 1qwv h ASP 27 Ca -0.50 -0.01 -0.16 0.00 -0.73 0.00 0.00 57.03 55.63 1qwv h ASP 27 Cb 1.30 -0.08 -0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1qwv h ASP 27 CO 0.55 0.23 -0.39 -1.28 -1.03 0.00 0.00 179.24 177.33 1qwv h SER 28 N 0.36 0.96 0.14 4.15 0.87 -1.99 -2.46 113.55 115.58 1qwv h SER 28 Ca 0.10 -0.48 -0.01 0.00 -1.23 0.00 0.00 61.79 60.17 1qwv h SER 28 Cb -0.03 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.66 1qwv h SER 28 CO -0.02 1.24 -0.07 0.58 -0.53 0.00 0.00 176.83 178.03 1qwv h VAL 29 N 0.69 1.00 -0.64 2.23 2.07 -1.72 -0.85 116.25 119.02 1qwv h VAL 29 Ca 0.05 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1qwv h VAL 29 Cb 0.98 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 1qwv h VAL 29 CO 0.09 0.24 0.41 1.62 0.02 0.00 0.00 177.57 179.95 1qwv h VAL 30 N -0.76 1.17 0.11 2.57 3.04 -1.48 0.37 116.25 121.27 1qwv h VAL 30 Ca -0.02 -0.35 -0.01 0.00 -1.01 0.00 0.00 66.70 65.32 1qwv h VAL 30 Cb 0.53 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.06 1qwv h VAL 30 CO 0.03 0.17 -0.05 0.00 -1.01 0.00 0.00 177.57 176.71 1qwv h ALA 31 N 1.57 -0.14 -0.59 3.17 0.00 -1.45 -1.89 119.26 119.92 1qwv h ALA 31 Ca 0.23 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1qwv h ALA 31 Cb -0.07 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1qwv h ALA 31 CO -0.05 -0.42 0.14 0.22 0.00 0.00 0.00 179.25 179.14 1qwv h ASP 32 N -0.46 0.86 0.20 0.00 3.58 -0.70 -2.48 116.42 117.42 1qwv h ASP 32 Ca -0.01 -0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.28 1qwv h ASP 32 Cb 0.38 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 1qwv h ASP 32 CO 0.02 0.84 -0.37 0.25 -2.88 0.00 0.00 179.24 177.11 1qwv h LEU 33 N 0.88 -1.05 -0.17 2.28 5.85 -0.27 -2.19 115.31 120.66 1qwv h LEU 33 Ca 0.19 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1qwv h LEU 33 Cb 0.32 0.38 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1qwv h LEU 33 CO -0.00 -0.47 0.00 -1.22 -0.34 0.00 0.00 178.44 176.41 1qwv n TYR 34 N -5.45 0.00 -1.71 1.25 4.01 -0.72 -4.88 117.16 109.65 1qwv n TYR 34 Ca -0.08 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.23 1qwv n TYR 34 Cb 0.36 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 1qwv n TYR 34 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1qwv n ASN 35 N -0.37 3.84 0.02 7.72 2.85 -0.83 -4.87 115.26 123.63 1qwv n ASN 35 Ca 0.00 1.07 -0.07 0.00 -0.11 0.00 0.00 54.58 55.47 1qwv n ASN 35 Cb 0.02 -1.55 0.11 0.00 1.24 0.00 0.00 39.78 39.59 1qwv n ASN 35 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1qwv h PHE 36 N 6.43 0.57 -3.47 1.20 3.57 -1.91 -3.43 116.94 119.91 1qwv h PHE 36 Ca -0.44 -0.18 -0.54 0.00 3.53 0.00 0.00 57.97 60.34 1qwv h PHE 36 Cb 1.21 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 1qwv h PHE 36 CO 0.63 0.86 0.17 -1.58 -2.23 0.00 0.00 178.31 176.16 1qwv s TRP 37 N -4.08 3.81 -1.30 0.41 0.51 -1.26 -4.96 118.94 112.08 1qwv s TRP 37 Ca -0.06 1.55 -0.14 0.00 -2.12 0.00 0.00 56.10 55.33 1qwv s TRP 37 Cb 0.12 -2.80 0.12 0.00 -0.81 0.00 0.00 33.47 30.10 1qwv s TRP 37 CO 0.82 0.38 1.80 1.63 -0.51 0.00 0.00 176.95 181.07 1qwv n LYS 38 N 2.27 3.29 -0.25 4.98 4.01 -1.26 -4.80 118.16 126.40 1qwv n LYS 38 Ca -0.04 -3.36 -0.06 0.00 -0.51 0.00 0.00 58.31 54.34 1qwv n LYS 38 Cb 0.50 -3.17 -0.01 0.00 -0.51 0.00 0.00 35.03 31.83 1qwv n LYS 38 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 1qwv h ASP 39 N 6.62 -1.40 -1.50 4.39 3.58 -1.92 -3.46 116.42 122.72 1qwv h ASP 39 Ca 0.42 0.26 -0.10 0.00 0.42 0.00 0.00 57.03 58.03 1qwv h ASP 39 Cb 0.76 0.67 0.02 0.00 1.72 0.00 0.00 39.33 42.50 1qwv h ASP 39 CO 1.54 -0.31 -0.15 -0.67 -2.88 0.00 0.00 179.24 176.77 1qwv n ASP 40 N -5.42 -2.65 -4.05 2.28 2.03 -1.26 -5.04 116.55 102.43 1qwv n ASP 40 Ca 0.04 -0.07 -0.30 0.00 0.52 0.00 0.00 54.79 54.98 1qwv n ASP 40 Cb 0.36 -1.56 0.20 0.00 -0.72 0.00 0.00 41.12 39.39 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 -2.70 1.33 -0.36 -0.67 1.13 -1.26 -5.01 117.35 109.82 1qwv s TYR 41 Ca 0.08 0.36 -0.25 0.00 -1.41 0.00 0.00 57.07 55.84 1qwv s TYR 41 Cb -0.03 -3.97 0.01 0.00 -1.10 0.00 0.00 41.96 36.87 1qwv s TYR 41 CO 0.09 -2.94 0.90 0.08 -2.51 0.00 0.00 175.55 171.17 1qwv s VAL 42 N -3.69 4.63 -0.51 -3.49 1.01 -1.26 -4.98 120.40 112.10 1qwv s VAL 42 Ca 0.73 1.18 -0.27 0.00 0.00 0.00 0.00 61.98 63.62 1qwv s VAL 42 Cb -0.05 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1qwv s VAL 42 CO 0.54 -0.48 2.00 -0.32 0.00 0.00 0.00 175.10 176.83 1qwv s MET 43 N 3.37 2.64 -0.22 2.72 1.75 -1.26 -4.78 119.30 123.52 1qwv s MET 43 Ca 0.37 1.01 0.10 0.00 -1.25 0.00 0.00 55.69 55.92 1qwv s MET 43 Cb -0.12 -4.40 -0.21 0.00 2.84 0.00 0.00 34.83 32.93 1qwv s MET 43 CO 0.17 -2.68 -0.04 0.25 -0.65 0.00 0.00 175.02 172.07 1qwv n THR 44 N 7.47 1.45 -2.14 10.11 -2.24 -1.26 -4.91 114.28 122.76 1qwv n THR 44 Ca 0.25 -0.72 -0.43 0.00 -2.27 0.00 0.00 64.05 60.88 1qwv n THR 44 Cb 0.52 -0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 1qwv n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qwv s ASP 45 N -6.02 6.57 0.39 3.42 -1.08 -1.26 -4.88 116.67 113.81 1qwv s ASP 45 Ca -0.21 1.81 0.19 0.00 -0.52 0.00 0.00 52.55 53.81 1qwv s ASP 45 Cb 0.07 -2.53 1.12 0.00 -1.46 0.00 0.00 42.92 40.12 1qwv s ASP 45 CO 0.72 -1.07 1.74 0.08 0.52 0.00 0.00 175.17 177.17 1qwv h ARG 46 N 9.92 0.36 0.00 4.34 -0.00 -1.91 0.18 114.38 127.27 1qwv h ARG 46 Ca -0.34 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.98 59.62 1qwv h ARG 46 Cb 1.15 -0.08 -0.00 0.00 -0.00 0.00 0.00 29.97 31.04 1qwv h ARG 46 CO 0.98 0.24 -0.01 -0.07 -0.00 0.00 0.00 179.97 181.11 1qwv h LEU 47 N 0.38 0.00 0.00 0.08 -0.00 -1.92 -2.30 115.31 111.54 1qwv h LEU 47 Ca 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.51 1qwv h LEU 47 Cb 1.61 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.26 1qwv h LEU 47 CO -0.34 0.01 -0.06 0.00 -0.00 0.00 0.00 178.44 178.05 1qwv h ALA 48 N 1.99 0.01 -0.91 1.53 0.00 -1.32 -1.40 119.26 119.15 1qwv h ALA 48 Ca -0.00 -0.26 0.32 0.00 0.00 0.00 0.00 54.91 54.97 1qwv h ALA 48 Cb 0.43 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.10 1qwv h ALA 48 CO 0.00 0.04 0.27 0.41 0.00 0.00 0.00 179.25 179.97 1qwv n GLY 49 N 1.69 -0.95 0.12 0.00 0.00 -1.12 -0.76 105.19 104.18 1qwv n GLY 49 Ca -0.05 0.81 -0.20 0.00 0.00 0.00 0.00 46.02 46.58 1qwv n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwv h ALA 51 N 0.11 1.03 0.00 0.00 0.00 -0.39 -1.85 119.26 118.16 1qwv h ALA 51 Ca -0.15 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1qwv h ALA 51 Cb 1.68 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1qwv h ALA 51 CO 0.16 0.24 -0.34 0.97 0.00 0.00 0.00 179.25 180.28 1qwv h ILE 52 N 0.00 0.77 -0.88 0.00 6.09 -1.09 -3.27 117.51 119.12 1qwv h ILE 52 Ca -0.00 -1.48 -0.46 0.00 -1.37 0.00 0.00 64.86 61.54 1qwv h ILE 52 Cb 0.70 1.95 -0.42 0.00 0.47 0.00 0.00 36.82 39.52 1qwv h ILE 52 CO 0.02 0.33 -0.92 0.59 -3.07 0.00 0.00 178.15 175.11 1qwv n ASN 53 N -3.44 3.60 -0.08 2.19 3.02 -0.79 -4.62 115.26 115.13 1qwv n ASN 53 Ca 0.00 -3.19 -0.22 0.00 -0.03 0.00 0.00 54.58 51.14 1qwv n ASN 53 Cb 0.52 -0.43 -0.12 0.00 -0.61 0.00 0.00 39.78 39.14 1qwv n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qwv h LEU 55 N -0.43 0.36 -0.01 0.00 6.46 -1.87 -0.04 115.31 119.78 1qwv h LEU 55 Ca -0.50 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.20 1qwv h LEU 55 Cb 1.74 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.58 1qwv h LEU 55 CO -0.14 0.31 0.00 0.00 -0.62 0.00 0.00 178.44 177.99 1qwv n ALA 56 N -2.20 2.29 0.06 1.25 0.00 -1.26 -2.14 120.51 118.51 1qwv n ALA 56 Ca -0.02 -0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 1qwv n ALA 56 Cb 0.05 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 17.90 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 1.26 0.00 0.00 2.02 -1.51 -3.32 112.91 111.36 1qwv h THR 57 Ca 0.00 -2.93 -0.06 0.00 0.77 0.00 0.00 66.41 64.18 1qwv h THR 57 Cb 0.61 2.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.76 1qwv h THR 57 CO 0.00 0.82 -0.30 0.11 0.37 0.00 0.00 175.52 176.52 1qwv h LYS 58 N 0.05 0.00 0.37 6.66 1.79 -0.50 -3.30 116.57 121.64 1qwv h LYS 58 Ca -0.19 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.26 1qwv h LYS 58 Cb 1.96 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.62 1qwv h LYS 58 CO 0.15 0.30 -0.18 -0.07 -1.08 0.00 0.00 179.45 178.57 1qwv h LEU 59 N 0.00 -0.42 -6.09 2.94 -0.00 -1.57 -3.48 115.31 106.69 1qwv h LEU 59 Ca -0.00 0.01 0.26 0.00 -0.00 0.00 0.00 57.88 58.15 1qwv h LEU 59 Cb 0.98 0.11 -0.25 0.00 -0.00 0.00 0.00 40.66 41.50 1qwv h LEU 59 CO 0.04 -0.24 0.41 -0.62 -0.00 0.00 0.00 178.44 178.03 1qwv s ASP 60 N -3.28 -0.16 -0.08 -0.43 2.15 -1.24 -5.06 116.67 108.58 1qwv s ASP 60 Ca -0.07 0.17 0.03 0.00 0.43 0.00 0.00 52.55 53.11 1qwv s ASP 60 Cb 0.01 1.16 0.09 0.00 -0.30 0.00 0.00 42.92 43.88 1qwv s ASP 60 CO 0.22 -0.03 0.82 0.55 -0.17 0.00 0.00 175.17 176.56 1qwv n VAL 61 N 4.91 0.00 -3.76 1.11 3.14 -1.26 -4.88 118.33 117.59 1qwv n VAL 61 Ca -0.07 -0.22 -0.37 0.00 -2.96 0.00 0.00 64.34 60.71 1qwv n VAL 61 Cb 0.55 0.49 -0.13 0.00 -1.06 0.00 0.00 33.84 33.70 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 0.03 4.08 -0.04 1.55 -7.23 -1.26 -4.02 120.40 113.50 1qwv s VAL 62 Ca 0.02 -0.49 -0.21 0.00 -1.81 0.00 0.00 61.98 59.49 1qwv s VAL 62 Cb 0.10 -3.02 -0.15 0.00 0.56 0.00 0.00 36.38 33.87 1qwv s VAL 62 CO -0.03 0.18 0.89 -0.78 -0.31 0.00 0.00 175.10 175.05 1qwv h ASP 63 N 8.24 -0.23 0.00 4.85 1.82 -1.87 -3.48 116.42 125.75 1qwv h ASP 63 Ca -0.34 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.01 1qwv h ASP 63 Cb 1.15 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.22 1qwv h ASP 63 CO 0.60 0.28 0.00 -0.81 -1.61 0.00 0.00 179.24 177.70 1qwv n PRO 64 N -4.97 3.53 0.00 0.28 -0.05 -1.26 -4.91 135.00 127.62 1qwv n PRO 64 Ca -0.08 0.00 0.08 0.00 -0.05 0.00 0.00 63.50 63.46 1qwv n PRO 64 Cb 0.26 0.00 0.49 0.00 -0.05 0.00 0.00 33.50 34.20 1qwv n PRO 64 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 1qwv n ASP 65 N 0.00 0.00 0.00 3.54 5.75 -1.26 -4.78 116.55 119.80 1qwv n ASP 65 Ca 0.00 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 53.86 1qwv n ASP 65 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1qwv n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qwv n GLY 66 N 0.37 1.75 3.92 6.12 0.00 -1.26 -5.13 105.19 110.98 1qwv n GLY 66 Ca 0.12 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 5.72 -1.01 1.61 6.03 -1.26 -4.35 114.94 121.67 1qwv s ASN 67 Ca 0.00 0.65 0.00 0.00 -1.03 0.00 0.00 52.86 52.48 1qwv s ASN 67 Cb 0.00 -1.73 0.00 0.00 -3.03 0.00 0.00 41.25 36.49 1qwv s ASN 67 CO 0.00 -0.93 0.00 -0.11 -2.03 0.00 0.00 177.10 174.03 1qwv n LEU 68 N -2.44 -1.43 -3.64 3.54 -0.00 -1.26 -4.42 117.00 107.34 1qwv n LEU 68 Ca 0.03 0.03 -0.41 0.00 -0.00 0.00 0.00 56.01 55.66 1qwv n LEU 68 Cb 0.57 -1.84 -0.01 0.00 -0.00 0.00 0.00 43.42 42.15 1qwv n LEU 68 CO 0.52 -0.18 2.82 0.00 -0.00 0.00 0.00 177.39 180.54 1qwv n HIS 69 N -3.84 3.29 -0.07 1.96 1.44 -1.26 -4.50 115.22 112.24 1qwv n HIS 69 Ca -0.13 -3.00 -0.20 0.00 -2.01 0.00 0.00 57.72 52.37 1qwv n HIS 69 Cb 0.57 -2.53 -0.12 0.00 0.12 0.00 0.00 29.99 28.03 1qwv n HIS 69 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1qwv h HIS 70 N 5.78 0.10 0.05 -1.40 6.17 -1.91 -3.32 115.15 120.62 1qwv h HIS 70 Ca 0.63 -0.07 0.01 0.00 0.71 0.00 0.00 60.37 61.65 1qwv h HIS 70 Cb 0.56 -0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.47 1qwv h HIS 70 CO 1.54 1.43 -0.12 0.78 0.71 0.00 0.00 177.93 182.27 1qwv h GLY 71 N -0.71 -0.20 1.73 5.26 0.00 -1.94 -1.94 103.07 105.27 1qwv h GLY 71 Ca -0.29 0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1qwv h GLY 71 CO -0.12 -0.13 0.15 -0.57 0.00 0.00 0.00 176.54 175.88 1qwv h ASN 72 N -0.24 0.31 -0.33 0.19 -0.73 -1.83 -0.25 115.58 112.70 1qwv h ASN 72 Ca 0.03 -0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.12 1qwv h ASN 72 Cb 0.26 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 1qwv h ASN 72 CO -0.08 0.25 -0.01 0.00 -0.37 0.00 0.00 177.43 177.21 1qwv h ALA 73 N 1.81 1.19 0.15 1.57 0.00 -1.46 0.66 119.26 123.19 1qwv h ALA 73 Ca 0.10 -0.25 -0.29 0.00 0.00 0.00 0.00 54.91 54.47 1qwv h ALA 73 Cb -0.00 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1qwv h ALA 73 CO -0.02 0.53 -1.29 0.87 0.00 0.00 0.00 179.25 179.34 1qwv h LYS 74 N 0.65 0.36 -0.62 0.00 1.79 -0.94 -2.44 116.57 115.36 1qwv h LYS 74 Ca 0.13 -0.59 -0.07 0.00 -2.18 0.00 0.00 60.65 57.94 1qwv h LYS 74 Cb 0.42 0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 1qwv h LYS 74 CO 0.02 1.28 0.11 0.22 -1.08 0.00 0.00 179.45 180.00 1qwv h ASP 75 N 0.11 0.98 -0.51 0.86 1.82 -0.70 -1.18 116.42 117.80 1qwv h ASP 75 Ca -0.16 -0.25 -0.05 0.00 -0.39 0.00 0.00 57.03 56.17 1qwv h ASP 75 Cb 2.00 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 41.73 1qwv h ASP 75 CO 0.22 0.98 0.16 0.15 -1.61 0.00 0.00 179.24 179.14 1qwv h PHE 76 N 0.94 0.88 -0.17 0.28 3.57 0.30 -0.12 116.94 122.62 1qwv h PHE 76 Ca 0.19 -0.08 -0.13 0.00 3.53 0.00 0.00 57.97 61.49 1qwv h PHE 76 Cb 0.41 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1qwv h PHE 76 CO 0.03 0.73 -0.45 0.00 -2.23 0.00 0.00 178.31 176.39 1qwv h ALA 77 N 1.34 0.92 -0.06 2.41 0.00 -1.11 0.10 119.26 122.86 1qwv h ALA 77 Ca 0.19 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 1qwv h ALA 77 Cb 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1qwv h ALA 77 CO -0.00 0.64 -0.82 0.52 0.00 0.00 0.00 179.25 179.59 1qwv h MET 78 N 0.34 0.44 -0.00 0.00 2.86 -0.65 -0.45 114.93 117.47 1qwv h MET 78 Ca 0.02 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1qwv h MET 78 Cb 0.92 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.68 1qwv h MET 78 CO 0.08 1.05 -0.51 1.17 1.06 0.00 0.00 176.91 179.76 1qwv n LYS 79 N -3.81 0.14 -3.44 1.72 4.81 -0.11 -4.54 118.16 112.93 1qwv n LYS 79 Ca -0.05 -0.08 -0.27 0.00 -0.87 0.00 0.00 58.31 57.03 1qwv n LYS 79 Cb 0.76 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 34.20 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 -2.92 0.60 0.00 5.64 3.76 0.35 -4.99 115.29 117.72 1qwv s HIS 80 Ca 0.13 -1.56 0.00 0.00 -0.15 0.00 0.00 55.06 53.47 1qwv s HIS 80 Cb 0.18 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 33.03 1qwv s HIS 80 CO 0.69 -0.85 0.00 0.41 -0.85 0.00 0.00 174.74 174.14 1qwv n GLY 81 N 3.98 2.31 3.87 -2.22 0.00 -1.23 -4.45 105.19 107.46 1qwv n GLY 81 Ca 0.13 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.97 3.82 0.64 4.61 0.00 -0.18 -4.88 121.76 124.80 1qwv s ALA 82 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 51.96 51.34 1qwv s ALA 82 Cb 0.00 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 1qwv s ALA 82 CO 0.00 0.61 1.04 0.16 0.00 0.00 0.00 175.76 177.57 1qwv s ASP 83 N -1.46 5.92 0.19 0.00 -4.77 -1.26 -3.92 116.67 111.37 1qwv s ASP 83 Ca 0.25 1.51 -0.11 0.00 -3.30 0.00 0.00 52.55 50.90 1qwv s ASP 83 Cb -0.14 -2.48 0.12 0.00 -1.09 0.00 0.00 42.92 39.33 1qwv s ASP 83 CO 0.13 -1.08 1.80 1.05 0.70 0.00 0.00 175.17 177.78 1qwv h GLU 84 N -0.38 0.97 -0.47 2.11 9.09 -1.95 0.80 114.58 124.75 1qwv h GLU 84 Ca -0.44 -0.12 0.13 0.00 0.05 0.00 0.00 59.36 58.98 1qwv h GLU 84 Cb 1.20 -0.19 -0.02 0.00 -1.65 0.00 0.00 28.75 28.09 1qwv h GLU 84 CO 0.60 0.74 0.40 0.00 0.05 0.00 0.00 179.01 180.79 1qwv h THR 85 N 0.95 0.56 0.18 -1.06 1.03 -1.97 0.72 112.91 113.32 1qwv h THR 85 Ca 0.24 0.00 -0.35 0.00 -0.01 0.00 0.00 66.41 66.29 1qwv h THR 85 Cb 0.06 0.71 0.01 0.00 -1.07 0.00 0.00 68.15 67.86 1qwv h THR 85 CO -0.04 0.00 -1.74 0.24 -0.01 0.00 0.00 175.52 173.98 1qwv h MET 86 N 0.00 0.39 -0.12 0.00 2.86 -1.22 -1.76 114.93 115.07 1qwv h MET 86 Ca 0.22 -0.66 -0.07 0.00 -2.06 0.00 0.00 59.70 57.13 1qwv h MET 86 Cb 1.01 0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 1qwv h MET 86 CO -0.00 1.31 -0.23 0.00 1.06 0.00 0.00 176.91 179.05 1qwv h ALA 87 N 0.15 1.40 0.00 6.32 0.00 -0.81 -1.61 119.26 124.71 1qwv h ALA 87 Ca -0.34 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.16 1qwv h ALA 87 Cb 2.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 1qwv h ALA 87 CO 0.18 0.42 -0.82 1.96 0.00 0.00 0.00 179.25 180.99 1qwv h GLN 88 N 0.19 0.00 0.00 0.00 7.50 0.38 0.37 115.11 123.54 1qwv h GLN 88 Ca 0.03 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.13 1qwv h GLN 88 Cb 0.51 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.03 1qwv h GLN 88 CO 0.04 0.57 -0.26 -0.56 -1.50 0.00 0.00 178.83 177.11 1qwv h GLN 89 N 0.00 0.00 -0.02 1.46 3.07 -1.17 -3.16 115.11 115.30 1qwv h GLN 89 Ca -0.05 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.63 1qwv h GLN 89 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.09 1qwv h GLN 89 CO 0.08 0.26 -0.26 1.25 0.09 0.00 0.00 178.83 180.25 1qwv h LEU 90 N 0.00 0.26 -1.42 0.06 5.85 -1.03 -3.30 115.31 115.72 1qwv h LEU 90 Ca -0.00 -0.74 0.06 0.00 0.84 0.00 0.00 57.88 58.04 1qwv h LEU 90 Cb 1.11 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1qwv h LEU 90 CO 0.03 0.96 0.44 -0.37 -0.34 0.00 0.00 178.44 179.17 1qwv h VAL 91 N -0.42 1.03 -0.51 1.05 -1.51 -0.97 -0.38 116.25 114.54 1qwv h VAL 91 Ca -0.03 -0.24 -0.02 0.00 -1.23 0.00 0.00 66.70 65.17 1qwv h VAL 91 Cb 0.98 0.26 -0.02 0.00 -2.13 0.00 0.00 31.29 30.38 1qwv h VAL 91 CO 0.05 0.13 0.23 -0.78 -1.23 0.00 0.00 177.57 175.97 1qwv h ASP 92 N 0.71 0.68 -0.35 4.19 3.58 -1.65 0.76 116.42 124.33 1qwv h ASP 92 Ca 0.29 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.49 1qwv h ASP 92 Cb 0.22 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1qwv h ASP 92 CO -0.09 0.63 -0.16 0.40 -2.88 0.00 0.00 179.24 177.14 1qwv h ILE 93 N 0.68 1.29 -0.35 2.25 5.03 -1.42 -1.82 117.51 123.16 1qwv h ILE 93 Ca 0.17 -1.28 0.05 0.00 -0.12 0.00 0.00 64.86 63.68 1qwv h ILE 93 Cb 0.15 1.36 -0.04 0.00 -3.03 0.00 0.00 36.82 35.26 1qwv h ILE 93 CO -0.02 0.42 0.08 0.40 -0.68 0.00 0.00 178.15 178.35 1qwv h ILE 94 N 0.52 0.84 -0.18 -0.67 2.04 -0.57 0.41 117.51 119.90 1qwv h ILE 94 Ca 0.08 -0.07 -0.17 0.00 1.00 0.00 0.00 64.86 65.70 1qwv h ILE 94 Cb 0.70 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1qwv h ILE 94 CO 0.05 0.04 -0.58 0.45 0.00 0.00 0.00 178.15 178.11 1qwv h HIS 95 N 0.20 0.72 0.10 1.37 3.86 -0.85 -2.10 115.15 118.45 1qwv h HIS 95 Ca 0.16 -0.26 -0.23 0.00 -1.16 0.00 0.00 60.37 58.88 1qwv h HIS 95 Cb 0.18 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1qwv h HIS 95 CO -0.18 1.01 -1.16 0.78 0.86 0.00 0.00 177.93 179.24 1qwv h GLY 96 N 1.05 0.25 1.03 2.45 0.00 -0.92 -2.30 103.07 104.63 1qwv h GLY 96 Ca 0.00 -0.64 -0.18 0.00 0.00 0.00 0.00 47.33 46.51 1qwv h GLY 96 CO 0.11 0.56 -0.62 0.00 0.00 0.00 0.00 176.54 176.59 1qwv h GLU 98 N 0.36 0.00 -0.76 0.00 4.81 -1.49 0.38 114.58 117.88 1qwv h GLU 98 Ca -0.04 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1qwv h GLU 98 Cb 1.25 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 1qwv h GLU 98 CO 0.13 0.30 0.26 -0.22 -0.73 0.00 0.00 179.01 178.75 1qwv h LYS 99 N 0.00 1.16 -0.65 1.92 1.63 -1.16 -2.86 116.57 116.62 1qwv h LYS 99 Ca -0.00 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 1qwv h LYS 99 Cb 0.55 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1qwv h LYS 99 CO 0.04 0.97 0.00 0.43 -3.45 0.00 0.00 179.45 177.44 1qwv n SER 100 N -4.26 4.97 -4.80 4.20 7.64 -0.38 -4.96 113.62 116.03 1qwv n SER 100 Ca 0.06 -2.55 -0.35 0.00 1.01 0.00 0.00 58.87 57.05 1qwv n SER 100 Cb 0.21 -0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 62.76 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 -2.04 3.05 0.66 -0.43 0.00 0.13 -5.00 121.76 118.13 1qwv s ALA 101 Ca 0.52 0.56 -0.17 0.00 0.00 0.00 0.00 51.96 52.87 1qwv s ALA 101 Cb 0.35 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 1qwv s ALA 101 CO 0.23 -0.06 0.72 -2.30 0.00 0.00 0.00 175.76 174.35 1qwv n PRO 102 N -0.31 0.52 -0.46 0.00 -0.02 -1.26 -4.79 135.00 128.67 1qwv n PRO 102 Ca 0.06 0.22 -0.05 0.00 -2.02 0.00 0.00 63.50 61.71 1qwv n PRO 102 Cb 0.52 -1.97 -0.07 0.00 -0.02 0.00 0.00 33.50 31.96 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 -0.90 0.93 -3.84 0.52 -0.02 -1.26 -4.59 135.00 125.82 1qwv n PRO 103 Ca 0.12 -0.38 -0.30 0.00 -2.02 0.00 0.00 63.50 60.91 1qwv n PRO 103 Cb 0.49 -1.61 -0.14 0.00 -0.02 0.00 0.00 33.50 32.21 1qwv n PRO 103 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1qwv s ASN 104 N 2.32 4.15 -0.82 2.55 2.47 -1.26 -5.07 114.94 119.28 1qwv s ASN 104 Ca 0.26 -2.41 -0.25 0.00 0.42 0.00 0.00 52.86 50.88 1qwv s ASN 104 Cb 0.12 -1.28 0.05 0.00 -1.45 0.00 0.00 41.25 38.69 1qwv s ASN 104 CO 0.00 -0.31 1.28 -0.62 -3.72 0.00 0.00 177.10 173.73 1qwv s ASP 105 N 0.58 6.29 -0.28 -4.21 2.15 -1.26 -4.87 116.67 115.07 1qwv s ASP 105 Ca 0.14 -0.90 -0.03 0.00 0.43 0.00 0.00 52.55 52.19 1qwv s ASP 105 Cb -0.22 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 39.89 1qwv s ASP 105 CO -0.07 -1.65 -0.00 -0.62 -0.17 0.00 0.00 175.17 172.66 1qwv s ASP 106 N 4.09 4.71 0.10 -0.34 -1.08 -1.26 -5.04 116.67 117.85 1qwv s ASP 106 Ca 0.36 -0.92 -0.20 0.00 -0.52 0.00 0.00 52.55 51.28 1qwv s ASP 106 Cb -0.07 -1.75 -0.05 0.00 -1.46 0.00 0.00 42.92 39.60 1qwv s ASP 106 CO 0.06 -0.18 1.03 2.29 0.52 0.00 0.00 175.17 178.88 1qwv n LYS 107 N 4.72 -0.28 0.02 4.34 0.00 -1.26 -0.80 118.16 124.90 1qwv n LYS 107 Ca -0.15 1.01 0.12 0.00 -0.00 0.00 0.00 58.31 59.29 1qwv n LYS 107 Cb 0.46 -1.49 0.16 0.00 -0.00 0.00 0.00 35.03 34.17 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 0.00 0.00 -0.93 0.00 4.05 -1.27 -3.22 114.93 113.56 1qwv h MET 109 Ca 0.00 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1qwv h MET 109 Cb 0.60 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.35 1qwv h MET 109 CO 0.00 0.93 0.61 1.57 0.23 0.00 0.00 176.91 180.25 1qwv h LYS 110 N 0.00 1.11 0.00 0.39 5.09 -1.60 0.29 116.57 121.85 1qwv h LYS 110 Ca -0.04 -0.07 0.00 0.00 0.09 0.00 0.00 60.65 60.63 1qwv h LYS 110 Cb 1.80 -0.25 0.00 0.00 0.10 0.00 0.00 32.23 33.88 1qwv h LYS 110 CO 0.12 0.73 0.16 1.15 -2.09 0.00 0.00 179.45 179.53 1qwv h THR 111 N 1.14 0.00 0.10 0.07 2.02 -1.80 -0.84 112.91 113.61 1qwv h THR 111 Ca 0.38 0.00 -0.36 0.00 0.77 0.00 0.00 66.41 67.20 1qwv h THR 111 Cb 0.07 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1qwv h THR 111 CO -0.13 0.00 -1.98 -0.38 0.37 0.00 0.00 175.52 173.40 1qwv n ILE 112 N -2.31 1.75 -0.28 3.11 -0.00 0.10 -1.92 119.36 119.82 1qwv n ILE 112 Ca -0.01 -0.67 0.03 0.00 -0.00 0.00 0.00 62.75 62.09 1qwv n ILE 112 Cb 0.19 -1.62 0.24 0.00 -0.00 0.00 0.00 39.64 38.45 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 0.90 0.54 4.38 5.19 -0.98 0.97 116.42 127.48 1qwv h ASP 113 Ca -0.41 -0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 55.70 1qwv h ASP 113 Cb 2.03 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 41.35 1qwv h ASP 113 CO 0.08 0.60 -1.34 -0.37 -3.12 0.00 0.00 179.24 175.10 1qwv h VAL 114 N 1.04 1.40 -0.15 -1.35 -1.51 -1.50 -2.86 116.25 111.31 1qwv h VAL 114 Ca 0.35 -2.96 -0.00 0.00 -1.23 0.00 0.00 66.70 62.87 1qwv h VAL 114 Cb 0.09 2.93 -0.01 0.00 -2.13 0.00 0.00 31.29 32.17 1qwv h VAL 114 CO -0.11 0.87 0.08 0.00 -1.23 0.00 0.00 177.57 177.18 1qwv h ALA 115 N 0.49 0.20 0.00 5.19 0.00 -0.75 0.36 119.26 124.75 1qwv h ALA 115 Ca -0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1qwv h ALA 115 Cb 2.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1qwv h ALA 115 CO 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1qwv h MET 116 N 0.15 0.00 0.00 0.00 -0.00 -0.96 -1.25 114.93 112.88 1qwv h MET 116 Ca 0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.67 1qwv h MET 116 Cb 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.66 1qwv h MET 116 CO -0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 176.91 176.49 1qwv h PHE 118 N 0.00 0.59 0.00 0.00 3.57 0.23 -2.61 116.94 118.73 1qwv h PHE 118 Ca -0.00 -0.43 -0.08 0.00 3.53 0.00 0.00 57.97 60.98 1qwv h PHE 118 Cb 0.95 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1qwv h PHE 118 CO 0.00 1.35 -0.38 1.57 -2.23 0.00 0.00 178.31 178.62 1qwv h LYS 119 N -0.31 0.00 0.01 1.11 -0.00 -1.48 0.82 116.57 116.73 1qwv h LYS 119 Ca -0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.49 1qwv h LYS 119 Cb 1.71 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.94 1qwv h LYS 119 CO 0.16 0.38 -0.01 -0.22 -0.00 0.00 0.00 179.45 179.77 1qwv h LYS 120 N 0.00 -0.02 -0.24 0.07 3.11 -1.53 -0.22 116.57 117.73 1qwv h LYS 120 Ca -0.00 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.85 1qwv h LYS 120 Cb 0.77 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.98 1qwv h LYS 120 CO 0.05 0.05 0.13 0.93 -2.81 0.00 0.00 179.45 177.80 1qwv h GLU 121 N -0.09 0.27 -0.76 1.90 3.07 -0.99 -1.97 114.58 116.01 1qwv h GLU 121 Ca -0.00 -0.02 0.11 0.00 -0.50 0.00 0.00 59.36 58.95 1qwv h GLU 121 Cb 0.08 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 27.88 1qwv h GLU 121 CO 0.00 0.18 0.50 0.97 -1.40 0.00 0.00 179.01 179.26 1qwv h ILE 122 N 0.27 0.90 -0.06 3.13 -0.00 0.76 0.54 117.51 123.06 1qwv h ILE 122 Ca 0.10 -0.21 -0.13 0.00 -0.00 0.00 0.00 64.86 64.62 1qwv h ILE 122 Cb 0.01 0.24 -0.01 0.00 -0.00 0.00 0.00 36.82 37.05 1qwv h ILE 122 CO -0.06 0.11 -0.54 0.45 -0.00 0.00 0.00 178.15 178.12 1qwv h HIS 123 N 0.62 0.22 0.00 2.19 3.86 -0.71 -2.57 115.15 118.76 1qwv h HIS 123 Ca 0.36 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.43 1qwv h HIS 123 Cb 0.55 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 1qwv h HIS 123 CO -0.00 0.68 -0.26 -0.22 0.86 0.00 0.00 177.93 178.99 1qwv h LYS 124 N 0.14 0.00 0.00 2.45 3.64 -0.18 -1.36 116.57 121.26 1qwv h LYS 124 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1qwv h LYS 124 Cb 0.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1qwv h LYS 124 CO 0.08 0.26 0.00 1.28 -2.27 0.00 0.00 179.45 178.80 1qwv n LEU 125 N -3.99 0.00 0.00 5.20 4.77 -0.49 -4.89 117.00 117.60 1qwv n LEU 125 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1qwv n LEU 125 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1qwv n LEU 125 CO 0.36 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 177.01 1qwv n ASN 126 N -0.98 0.00 -4.56 -1.43 3.02 -0.51 -4.83 115.26 105.96 1qwv n ASN 126 Ca 0.13 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.44 1qwv n ASN 126 Cb 0.06 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.17 1qwv n ASN 126 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1qwv s TRP 127 N 0.00 1.69 -0.28 3.10 0.51 -1.26 -4.83 118.94 117.87 1qwv s TRP 127 Ca 0.00 0.92 -0.17 0.00 -2.12 0.00 0.00 56.10 54.73 1qwv s TRP 127 Cb 0.00 -3.90 0.09 0.00 -0.81 0.00 0.00 33.47 28.85 1qwv s TRP 127 CO 0.00 -1.55 0.74 0.54 -0.51 0.00 0.00 176.95 176.17 1qwv s VAL 128 N 11.43 0.00 0.00 4.03 0.11 -1.26 -4.93 120.40 129.77 1qwv s VAL 128 Ca 0.74 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.77 1qwv s VAL 128 Cb -0.06 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.71 1qwv s VAL 128 CO 0.04 0.00 1.88 -2.65 -3.33 0.00 0.00 175.10 171.05 1qwv n PRO 129 N 4.09 0.96 -3.64 1.54 -0.02 -1.26 -4.66 135.00 132.02 1qwv n PRO 129 Ca -0.19 -0.28 -0.11 0.00 -2.02 0.00 0.00 63.50 60.90 1qwv n PRO 129 Cb 0.58 -1.44 -0.07 0.00 -0.02 0.00 0.00 33.50 32.56 1qwv n PRO 129 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1qwv s ASN 130 N 2.13 -0.84 0.26 2.55 3.84 -1.26 -5.14 114.94 116.48 1qwv s ASN 130 Ca 0.19 1.47 -0.31 0.00 0.21 0.00 0.00 52.86 54.43 1qwv s ASN 130 Cb 0.09 1.42 -0.13 0.00 -0.55 0.00 0.00 41.25 42.08 1qwv s ASN 130 CO 0.00 -0.24 1.43 0.80 -2.79 0.00 0.00 177.10 176.30 1qwv n MET 131 N 3.48 2.17 -2.88 0.43 0.00 -1.26 -4.96 117.12 114.10 1qwv n MET 131 Ca -0.17 0.77 -0.41 0.00 -0.00 0.00 0.00 57.70 57.90 1qwv n MET 131 Cb 0.57 -2.45 -0.04 0.00 0.00 0.00 0.00 33.22 31.30 1qwv n MET 131 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1qwv s ASP 132 N 0.27 7.19 -0.30 6.12 -4.77 -1.26 -5.02 116.67 118.90 1qwv s ASP 132 Ca 0.66 1.44 -0.01 0.00 -3.30 0.00 0.00 52.55 51.34 1qwv s ASP 132 Cb -0.61 -2.49 0.19 0.00 -1.09 0.00 0.00 42.92 38.92 1qwv s ASP 132 CO 0.51 -0.17 0.62 -0.22 0.70 0.00 0.00 175.17 176.62 1qwv s LEU 133 N 0.79 -1.37 0.08 2.11 1.98 -1.26 -5.15 118.68 115.86 1qwv s LEU 133 Ca 0.44 0.76 0.08 0.00 -2.89 0.00 0.00 54.13 52.52 1qwv s LEU 133 Cb -0.20 2.11 -0.03 0.00 0.66 0.00 0.00 46.19 48.73 1qwv s LEU 133 CO 0.23 -0.26 -0.23 0.54 -1.89 0.00 0.00 176.35 174.75 1qwv s VAL 134 N 2.86 1.84 -0.45 1.68 0.11 -1.26 -5.11 120.40 120.07 1qwv s VAL 134 Ca 0.19 -1.42 -0.18 0.00 -2.93 0.00 0.00 61.98 57.63 1qwv s VAL 134 Cb -0.14 -1.62 0.04 0.00 -1.53 0.00 0.00 36.38 33.12 1qwv s VAL 134 CO -0.21 0.12 0.51 -0.63 -3.33 0.00 0.00 175.10 171.56 1qwv s ILE 135 N -0.96 5.01 -0.97 7.04 1.09 -1.26 -4.99 121.20 126.16 1qwv s ILE 135 Ca 0.09 -0.40 -0.24 0.00 -1.10 0.00 0.00 60.65 59.00 1qwv s ILE 135 Cb -0.10 -4.14 -0.01 0.00 -1.06 0.00 0.00 42.46 37.16 1qwv s ILE 135 CO 0.03 -0.56 1.76 -0.83 -0.10 0.00 0.00 174.94 175.24 1qwv s GLY 136 N 2.14 0.62 0.34 6.18 0.00 -1.26 -4.96 107.32 110.38 1qwv s GLY 136 Ca 0.13 -1.85 -0.29 0.00 0.00 0.00 0.00 44.72 42.72 1qwv s GLY 136 CO 0.13 3.17 1.48 1.85 0.00 0.00 0.00 173.10 179.73 1qwv s GLU 137 N 6.16 4.17 -0.35 2.90 2.12 -1.26 -5.00 118.70 127.43 1qwv s GLU 137 Ca 0.61 2.49 -0.00 0.00 0.36 0.00 0.00 54.97 58.43 1qwv s GLU 137 Cb -0.04 -3.01 0.12 0.00 0.26 0.00 0.00 34.13 31.47 1qwv s GLU 137 CO -0.03 -0.49 0.18 0.14 -0.54 0.00 0.00 175.26 174.52 1qwv s VAL 138 N -0.80 0.59 -0.79 3.70 -7.23 -1.26 -5.08 120.40 109.54 1qwv s VAL 138 Ca 0.55 -1.69 -0.26 0.00 -1.81 0.00 0.00 61.98 58.77 1qwv s VAL 138 Cb -0.45 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.06 1qwv s VAL 138 CO 0.57 -0.85 1.54 -0.22 -0.31 0.00 0.00 175.10 175.82 1qwv s LEU 139 N 1.19 3.27 0.23 1.32 0.20 -1.26 -4.97 118.68 118.65 1qwv s LEU 139 Ca 0.15 -0.51 -0.30 0.00 0.69 0.00 0.00 54.13 54.15 1qwv s LEU 139 Cb -0.21 -2.55 -0.09 0.00 -0.43 0.00 0.00 46.19 42.91 1qwv s LEU 139 CO -0.11 -2.01 1.23 0.00 -0.29 0.00 0.00 176.35 175.17 1qwv s ALA 140 N 6.90 3.47 0.39 5.97 0.00 -1.26 -5.04 121.76 132.20 1qwv s ALA 140 Ca 0.49 1.04 0.05 0.00 0.00 0.00 0.00 51.96 53.54 1qwv s ALA 140 Cb -0.07 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1qwv s ALA 140 CO 0.09 -0.42 0.04 -1.21 0.00 0.00 0.00 175.76 174.25 1qwv s GLU 141 N -0.67 1.88 0.00 0.00 2.02 -1.26 -5.35 118.70 115.31 1qwv s GLU 141 Ca 0.52 -2.09 0.27 0.00 0.02 0.00 0.00 54.97 53.69 1qwv s GLU 141 Cb -0.35 -1.24 0.77 0.00 0.10 0.00 0.00 34.13 33.41 1qwv s GLU 141 CO 0.40 -0.19 1.59 0.28 0.02 0.00 0.00 175.26 177.36