#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwv h PRO 2 N 0.00 0.00 0.14 1.43 0.11 -1.99 -2.70 132.00 128.99 1qwv h PRO 2 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1qwv h PRO 2 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1qwv h PRO 2 CO 0.00 0.08 -0.21 0.93 -0.21 0.00 0.00 178.00 178.59 1qwv h GLU 3 N 0.00 -0.36 0.00 1.05 4.39 -1.93 -1.29 114.58 116.44 1qwv h GLU 3 Ca -0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1qwv h GLU 3 Cb 0.36 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1qwv h GLU 3 CO 0.01 -0.24 0.00 0.97 -1.16 0.00 0.00 179.01 178.59 1qwv h ILE 4 N -0.37 0.00 0.00 3.13 6.09 -1.58 -2.86 117.51 121.92 1qwv h ILE 4 Ca -0.02 -0.32 -0.06 0.00 -1.37 0.00 0.00 64.86 63.09 1qwv h ILE 4 Cb 0.34 1.14 -0.01 0.00 0.47 0.00 0.00 36.82 38.76 1qwv h ILE 4 CO -0.06 0.00 -0.28 -0.03 -3.07 0.00 0.00 178.15 174.71 1qwv h MET 5 N 0.00 0.00 -3.94 2.19 4.05 -1.07 -3.35 114.93 112.82 1qwv h MET 5 Ca 0.00 0.00 -0.78 0.00 -0.28 0.00 0.00 59.70 58.64 1qwv h MET 5 Cb 0.47 0.00 -0.25 0.00 -0.80 0.00 0.00 31.60 31.02 1qwv h MET 5 CO 0.00 0.28 -0.04 0.15 0.23 0.00 0.00 176.91 177.53 1qwv s LYS 6 N -3.68 3.33 0.33 0.39 1.02 -0.54 -5.05 119.74 115.53 1qwv s LYS 6 Ca 0.00 -2.16 -0.29 0.00 0.02 0.00 0.00 55.97 53.54 1qwv s LYS 6 Cb 0.11 -4.36 -0.11 0.00 -0.52 0.00 0.00 37.83 32.95 1qwv s LYS 6 CO 0.65 -1.30 1.41 1.21 -0.92 0.00 0.00 175.35 176.40 1qwv s ASN 7 N 2.70 6.58 0.22 2.83 2.47 -1.26 -4.84 114.94 123.65 1qwv s ASN 7 Ca 0.12 2.82 -0.09 0.00 0.42 0.00 0.00 52.86 56.14 1qwv s ASN 7 Cb -0.18 -2.65 0.24 0.00 -1.45 0.00 0.00 41.25 37.21 1qwv s ASN 7 CO -0.04 -0.70 1.84 -0.07 -3.72 0.00 0.00 177.10 174.41 1qwv h LEU 8 N 3.60 0.70 -1.18 3.21 4.07 -1.93 0.17 115.31 123.96 1qwv h LEU 8 Ca -0.49 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.45 1qwv h LEU 8 Cb 1.23 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.81 1qwv h LEU 8 CO 0.68 0.47 0.24 0.28 -1.08 0.00 0.00 178.44 179.02 1qwv h SER 9 N 0.84 0.74 0.19 -0.43 0.02 -1.91 -0.47 113.55 112.52 1qwv h SER 9 Ca 0.31 -0.09 -0.22 0.00 -0.84 0.00 0.00 61.79 60.95 1qwv h SER 9 Cb 0.11 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1qwv h SER 9 CO -0.15 0.66 -0.89 0.78 -1.14 0.00 0.00 176.83 176.09 1qwv h ASN 10 N 0.81 0.64 0.33 3.07 4.21 -1.54 -0.76 115.58 122.34 1qwv h ASN 10 Ca 0.19 -0.48 -0.02 0.00 1.21 0.00 0.00 56.30 57.21 1qwv h ASN 10 Cb 0.14 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.15 1qwv h ASN 10 CO -0.02 1.26 -0.16 -1.13 -1.29 0.00 0.00 177.43 176.10 1qwv h ASN 11 N 0.31 -0.37 0.00 5.81 -1.24 -0.41 -3.32 115.58 116.36 1qwv h ASN 11 Ca -0.07 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.76 1qwv h ASN 11 Cb 1.51 0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.66 1qwv h ASN 11 CO 0.16 0.05 0.00 0.49 -1.29 0.00 0.00 177.43 176.84 1qwv n PHE 12 N -5.11 0.00 -2.39 0.67 3.72 -0.21 -4.86 117.46 109.27 1qwv n PHE 12 Ca -0.09 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.16 1qwv n PHE 12 Cb 0.27 -0.38 -0.01 0.00 -0.94 0.00 0.00 39.48 38.42 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 -0.95 -0.42 0.12 1.37 0.00 -0.29 -4.86 105.19 100.16 1qwv n GLY 13 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.28 -1.26 1.61 3.64 -1.89 -3.41 116.57 115.54 1qwv h LYS 14 Ca -0.36 -0.48 -0.39 0.00 -1.27 0.00 0.00 60.65 58.15 1qwv h LYS 14 Cb 1.25 0.18 -0.35 0.00 -0.41 0.00 0.00 32.23 32.91 1qwv h LYS 14 CO 0.42 1.15 -1.03 0.00 -2.27 0.00 0.00 179.45 177.73 1qwv n ALA 15 N -2.77 1.98 -0.02 5.00 0.00 -1.26 -4.92 120.51 118.53 1qwv n ALA 15 Ca -0.21 -2.88 -0.14 0.00 0.00 0.00 0.00 53.44 50.21 1qwv n ALA 15 Cb 1.06 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 1qwv n ALA 15 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1qwv h MET 16 N 2.92 0.72 -0.43 0.00 4.05 -1.93 -2.96 114.93 117.30 1qwv h MET 16 Ca -0.02 -0.52 -0.01 0.00 -0.28 0.00 0.00 59.70 58.88 1qwv h MET 16 Cb 1.08 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.94 1qwv h MET 16 CO 0.40 1.14 0.24 0.22 0.23 0.00 0.00 176.91 179.14 1qwv h ASP 17 N 0.52 0.51 0.70 1.39 3.58 -1.95 -1.96 116.42 119.21 1qwv h ASP 17 Ca -0.02 -0.03 -0.16 0.00 0.42 0.00 0.00 57.03 57.25 1qwv h ASP 17 Cb 1.26 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.15 1qwv h ASP 17 CO 0.13 0.41 -1.41 0.00 -2.88 0.00 0.00 179.24 175.49 1qwv n GLN 18 N -4.43 0.62 0.08 0.28 6.02 -1.20 -2.15 117.38 116.60 1qwv n GLN 18 Ca 0.03 0.21 -0.08 0.00 -0.01 0.00 0.00 57.00 57.15 1qwv n GLN 18 Cb 0.09 -1.80 0.02 0.00 1.02 0.00 0.00 30.24 29.57 1qwv n GLN 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qwv h LYS 20 N 0.14 -0.10 -0.26 0.00 1.63 -1.34 -0.69 116.57 115.95 1qwv h LYS 20 Ca -0.04 0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.65 1qwv h LYS 20 Cb 1.40 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 33.05 1qwv h LYS 20 CO 0.12 -0.06 -0.33 0.22 -3.45 0.00 0.00 179.45 175.95 1qwv h ASP 21 N -0.10 0.74 -0.29 4.20 1.82 -1.37 -1.66 116.42 119.76 1qwv h ASP 21 Ca 0.06 -0.50 -0.07 0.00 -0.39 0.00 0.00 57.03 56.13 1qwv h ASP 21 Cb 0.18 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.96 1qwv h ASP 21 CO -0.13 1.09 -0.06 -0.08 -1.61 0.00 0.00 179.24 178.45 1qwv h GLU 22 N 0.41 0.67 -0.00 0.28 4.81 -0.90 -1.08 114.58 118.77 1qwv h GLU 22 Ca 0.03 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1qwv h GLU 22 Cb 0.91 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1qwv h GLU 22 CO 0.08 0.73 -0.02 1.28 -0.73 0.00 0.00 179.01 180.35 1qwv n LEU 23 N -4.21 0.12 -1.62 1.64 4.77 -0.27 -4.89 117.00 112.54 1qwv n LEU 23 Ca 0.02 0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 55.98 1qwv n LEU 23 Cb 0.31 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1qwv n LEU 23 CO 0.41 0.02 -0.19 -0.24 -1.33 0.00 0.00 177.39 176.07 1qwv n SER 24 N -1.11 -4.66 -4.68 -1.43 2.88 -0.41 -4.92 113.62 99.29 1qwv n SER 24 Ca 0.17 0.07 -0.48 0.00 -1.33 0.00 0.00 58.87 57.30 1qwv n SER 24 Cb 0.21 -3.73 -0.05 0.00 -0.75 0.00 0.00 64.21 59.89 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 -2.10 3.44 -4.81 2.46 4.32 -0.64 -4.97 117.00 114.70 1qwv n LEU 25 Ca -0.18 0.96 -0.32 0.00 -0.02 0.00 0.00 56.01 56.46 1qwv n LEU 25 Cb 0.61 -1.37 0.02 0.00 -1.62 0.00 0.00 43.42 41.06 1qwv n LEU 25 CO 0.22 -0.06 0.71 -2.84 -1.22 0.00 0.00 177.39 174.20 1qwv s PRO 26 N 4.14 3.21 0.54 3.23 0.02 -1.26 -4.86 135.00 140.02 1qwv s PRO 26 Ca 0.93 1.08 0.31 0.00 0.02 0.00 0.00 61.00 63.35 1qwv s PRO 26 Cb -0.70 -2.02 1.49 0.00 0.02 0.00 0.00 34.50 33.29 1qwv s PRO 26 CO 0.52 -0.89 2.05 0.38 -0.33 0.00 0.00 177.00 178.73 1qwv h ASP 27 N -0.00 0.00 -0.45 2.53 2.03 -1.99 -1.73 116.42 116.81 1qwv h ASP 27 Ca -0.46 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 55.71 1qwv h ASP 27 Cb 1.21 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.70 1qwv h ASP 27 CO 0.57 0.09 -0.25 0.77 -1.03 0.00 0.00 179.24 179.39 1qwv h SER 28 N 0.00 1.01 0.04 4.15 4.64 -1.99 -1.86 113.55 119.54 1qwv h SER 28 Ca -0.00 -0.40 -0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1qwv h SER 28 Cb 0.40 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1qwv h SER 28 CO 0.01 1.19 -0.02 0.58 -0.87 0.00 0.00 176.83 177.73 1qwv h VAL 29 N 0.83 1.29 -0.43 0.95 2.07 -1.72 -2.64 116.25 116.60 1qwv h VAL 29 Ca 0.10 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.50 1qwv h VAL 29 Cb 0.83 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 1qwv h VAL 29 CO 0.07 0.29 0.29 -0.37 0.02 0.00 0.00 177.57 177.87 1qwv h VAL 30 N -0.57 1.03 0.04 2.57 -1.51 -1.45 -0.54 116.25 115.82 1qwv h VAL 30 Ca -0.01 -0.16 -0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1qwv h VAL 30 Cb 0.52 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 1qwv h VAL 30 CO 0.01 0.08 -0.02 0.00 -1.23 0.00 0.00 177.57 176.42 1qwv h ALA 31 N 1.75 -0.05 -0.52 5.19 0.00 -1.27 -1.01 119.26 123.35 1qwv h ALA 31 Ca 0.18 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1qwv h ALA 31 Cb 0.12 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1qwv h ALA 31 CO -0.04 -0.42 0.07 0.22 0.00 0.00 0.00 179.25 179.08 1qwv h ASP 32 N -0.26 0.78 0.34 0.00 3.58 -1.06 -3.02 116.42 116.78 1qwv h ASP 32 Ca -0.00 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 1qwv h ASP 32 Cb 0.24 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1qwv h ASP 32 CO 0.01 0.80 -0.26 -0.07 -2.88 0.00 0.00 179.24 176.85 1qwv h LEU 33 N 0.79 -0.66 0.00 2.28 3.38 -0.88 -2.43 115.31 117.79 1qwv h LEU 33 Ca 0.16 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1qwv h LEU 33 Cb 0.37 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1qwv h LEU 33 CO 0.01 -0.39 0.00 -1.22 0.09 0.00 0.00 178.44 176.93 1qwv n TYR 34 N -5.38 0.00 -1.89 1.13 4.01 -0.40 -4.86 117.16 109.76 1qwv n TYR 34 Ca -0.10 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.22 1qwv n TYR 34 Cb 0.29 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.29 1qwv n TYR 34 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1qwv s ASN 35 N -1.33 6.53 0.21 7.72 2.47 -0.92 -4.90 114.94 124.72 1qwv s ASN 35 Ca 0.04 2.70 0.06 0.00 0.42 0.00 0.00 52.86 56.08 1qwv s ASN 35 Cb 0.02 -2.60 0.13 0.00 -1.45 0.00 0.00 41.25 37.35 1qwv s ASN 35 CO 0.03 -0.85 1.48 -0.26 -3.72 0.00 0.00 177.10 173.77 1qwv h PHE 36 N 6.45 0.18 -3.25 0.43 0.04 -1.90 -3.43 116.94 115.47 1qwv h PHE 36 Ca -0.43 -0.09 -0.58 0.00 2.80 0.00 0.00 57.97 59.67 1qwv h PHE 36 Cb 1.21 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 39.26 1qwv h PHE 36 CO 0.64 0.83 0.74 -1.58 -0.60 0.00 0.00 178.31 178.34 1qwv s TRP 37 N -3.40 3.23 -1.39 -0.55 0.51 -1.26 -4.95 118.94 111.14 1qwv s TRP 37 Ca -0.02 1.24 -0.14 0.00 -2.12 0.00 0.00 56.10 55.05 1qwv s TRP 37 Cb 0.11 -3.44 0.07 0.00 -0.81 0.00 0.00 33.47 29.40 1qwv s TRP 37 CO 0.80 -0.62 2.03 0.36 -0.51 0.00 0.00 176.95 179.02 1qwv n LYS 38 N 6.53 3.04 -0.30 4.98 -0.00 -1.26 -4.80 118.16 126.35 1qwv n LYS 38 Ca 0.10 -2.93 0.13 0.00 -0.00 0.00 0.00 58.31 55.62 1qwv n LYS 38 Cb 0.47 -3.29 0.29 0.00 -0.00 0.00 0.00 35.03 32.50 1qwv n LYS 38 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1qwv h ASP 39 N 6.41 -0.04 -3.59 -5.58 3.58 -1.95 -3.47 116.42 111.78 1qwv h ASP 39 Ca 0.51 0.21 0.00 0.00 0.42 0.00 0.00 57.03 58.17 1qwv h ASP 39 Cb 0.71 0.29 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1qwv h ASP 39 CO 1.73 -0.18 -0.01 0.47 -2.88 0.00 0.00 179.24 178.36 1qwv n ASP 40 N -5.25 -3.45 -4.77 2.28 8.00 -1.26 -5.10 116.55 106.99 1qwv n ASP 40 Ca 0.22 -0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.41 1qwv n ASP 40 Cb 0.70 -2.08 -0.07 0.00 -0.02 0.00 0.00 41.12 39.65 1qwv n ASP 40 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1qwv s TYR 41 N -2.86 1.97 -0.25 1.24 -0.85 -1.26 -5.11 117.35 110.23 1qwv s TYR 41 Ca 0.01 -0.87 -0.18 0.00 -0.52 0.00 0.00 57.07 55.51 1qwv s TYR 41 Cb -0.00 -1.71 -0.03 0.00 0.38 0.00 0.00 41.96 40.60 1qwv s TYR 41 CO 0.19 0.13 0.52 0.08 -1.52 0.00 0.00 175.55 174.95 1qwv s VAL 42 N -2.82 5.08 -0.49 -3.49 1.01 -1.26 -5.00 120.40 113.43 1qwv s VAL 42 Ca 0.17 0.90 -0.26 0.00 0.00 0.00 0.00 61.98 62.79 1qwv s VAL 42 Cb 0.02 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 1qwv s VAL 42 CO 0.10 0.11 2.27 -0.32 0.00 0.00 0.00 175.10 177.26 1qwv s MET 43 N 2.14 2.30 -0.08 2.72 1.75 -1.26 -4.77 119.30 122.11 1qwv s MET 43 Ca 0.22 1.29 0.20 0.00 -1.25 0.00 0.00 55.69 56.16 1qwv s MET 43 Cb -0.16 -4.52 -0.29 0.00 2.84 0.00 0.00 34.83 32.70 1qwv s MET 43 CO 0.09 -3.07 0.37 0.25 -0.65 0.00 0.00 175.02 172.02 1qwv n THR 44 N 7.81 0.54 -2.93 10.11 -2.24 -1.26 -4.93 114.28 121.38 1qwv n THR 44 Ca 0.33 -0.63 -0.40 0.00 -2.27 0.00 0.00 64.05 61.07 1qwv n THR 44 Cb 0.53 -0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.52 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 -4.92 7.26 0.45 3.42 2.15 -1.26 -4.95 116.67 118.81 1qwv s ASP 45 Ca -0.08 1.50 0.25 0.00 0.43 0.00 0.00 52.55 54.65 1qwv s ASP 45 Cb 0.11 -2.49 0.75 0.00 -0.30 0.00 0.00 42.92 40.99 1qwv s ASP 45 CO 0.88 -0.01 1.75 0.03 -0.17 0.00 0.00 175.17 177.64 1qwv h ARG 46 N 5.74 0.00 0.00 4.34 -0.00 -1.93 -2.62 114.38 119.91 1qwv h ARG 46 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.05 1qwv h ARG 46 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.18 1qwv h ARG 46 CO 0.71 0.14 0.00 1.28 0.00 0.00 0.00 179.97 182.10 1qwv n LEU 47 N -3.20 0.52 -0.04 3.04 7.99 -1.26 -2.48 117.00 121.56 1qwv n LEU 47 Ca 0.02 0.55 -0.00 0.00 -0.01 0.00 0.00 56.01 56.57 1qwv n LEU 47 Cb 0.47 -0.39 -0.00 0.00 -0.11 0.00 0.00 43.42 43.39 1qwv n LEU 47 CO 0.33 -0.13 -0.02 0.00 -1.51 0.00 0.00 177.39 176.05 1qwv h ALA 48 N 2.68 0.00 -0.95 -1.18 0.00 -1.86 -1.80 119.26 116.14 1qwv h ALA 48 Ca 0.00 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.09 1qwv h ALA 48 Cb 0.64 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.28 1qwv h ALA 48 CO 0.00 0.03 -0.12 0.78 0.00 0.00 0.00 179.25 179.95 1qwv h GLY 49 N -0.83 0.92 1.22 0.00 0.00 -1.64 -0.98 103.07 101.76 1qwv h GLY 49 Ca 0.00 0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.43 1qwv h GLY 49 CO 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 176.54 175.83 1qwv h ALA 51 N 0.92 1.26 -0.65 0.00 0.00 -0.29 -1.80 119.26 118.69 1qwv h ALA 51 Ca 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1qwv h ALA 51 Cb 0.85 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1qwv h ALA 51 CO 0.08 0.11 0.31 0.82 0.00 0.00 0.00 179.25 180.56 1qwv h ILE 52 N 0.00 1.21 -2.75 0.00 2.04 -1.18 -3.36 117.51 113.47 1qwv h ILE 52 Ca -0.00 -0.59 -0.60 0.00 1.00 0.00 0.00 64.86 64.66 1qwv h ILE 52 Cb 0.28 0.38 -0.40 0.00 -0.74 0.00 0.00 36.82 36.35 1qwv h ILE 52 CO 0.01 0.25 -0.80 0.54 0.00 0.00 0.00 178.15 178.15 1qwv s ASN 53 N -6.47 3.07 -0.01 1.72 6.03 -0.68 -4.52 114.94 114.08 1qwv s ASN 53 Ca -0.10 -2.88 -0.00 0.00 -1.03 0.00 0.00 52.86 48.84 1qwv s ASN 53 Cb 0.17 -0.85 -0.01 0.00 -3.03 0.00 0.00 41.25 37.53 1qwv s ASN 53 CO 0.79 -0.22 -0.02 0.00 -2.03 0.00 0.00 177.10 175.63 1qwv h LEU 55 N -0.03 -0.36 0.00 0.00 6.46 -1.90 0.10 115.31 119.58 1qwv h LEU 55 Ca -0.03 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1qwv h LEU 55 Cb 1.04 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 1qwv h LEU 55 CO -0.02 -0.23 -0.15 0.00 -0.62 0.00 0.00 178.44 177.42 1qwv n ALA 56 N -2.25 2.44 0.07 1.25 0.00 -1.26 -2.10 120.51 118.66 1qwv n ALA 56 Ca -0.05 -0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.15 1qwv n ALA 56 Cb 0.15 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.79 -2.88 112.91 111.52 1qwv h THR 57 Ca 0.00 -2.88 0.00 0.00 0.77 0.00 0.00 66.41 64.30 1qwv h THR 57 Cb 0.74 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.96 1qwv h THR 57 CO 0.00 0.84 -0.21 0.11 0.37 0.00 0.00 175.52 176.63 1qwv h LYS 58 N 0.07 0.00 0.39 6.66 1.79 -0.78 -3.34 116.57 121.36 1qwv h LYS 58 Ca -0.21 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.24 1qwv h LYS 58 Cb 2.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.66 1qwv h LYS 58 CO 0.17 0.00 -0.19 -0.07 -1.08 0.00 0.00 179.45 178.28 1qwv h LEU 59 N 0.00 -0.45 -6.72 2.94 3.38 -1.42 -3.48 115.31 109.56 1qwv h LEU 59 Ca 0.00 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.17 1qwv h LEU 59 Cb 0.82 0.12 -0.29 0.00 0.09 0.00 0.00 40.66 41.39 1qwv h LEU 59 CO 0.00 -0.26 0.51 -0.62 0.09 0.00 0.00 178.44 178.16 1qwv s ASP 60 N -3.29 -0.28 0.00 -0.43 2.15 -1.09 -5.05 116.67 108.67 1qwv s ASP 60 Ca -0.08 0.42 0.00 0.00 0.43 0.00 0.00 52.55 53.32 1qwv s ASP 60 Cb 0.01 1.20 0.00 0.00 -0.30 0.00 0.00 42.92 43.83 1qwv s ASP 60 CO 0.23 -0.06 0.00 0.55 -0.17 0.00 0.00 175.17 175.72 1qwv n VAL 61 N 3.89 0.00 -3.71 1.11 3.14 -1.26 -4.76 118.33 116.73 1qwv n VAL 61 Ca -0.14 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 60.87 1qwv n VAL 61 Cb 0.56 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.22 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 0.00 4.47 -0.02 1.55 -7.23 -1.26 -4.06 120.40 113.85 1qwv s VAL 62 Ca 0.00 -0.23 -0.22 0.00 -1.81 0.00 0.00 61.98 59.71 1qwv s VAL 62 Cb 0.00 -3.16 -0.15 0.00 0.56 0.00 0.00 36.38 33.64 1qwv s VAL 62 CO 0.00 0.24 1.01 -0.78 -0.31 0.00 0.00 175.10 175.27 1qwv h ASP 63 N 8.28 -0.37 0.00 4.85 1.82 -1.86 -3.48 116.42 125.66 1qwv h ASP 63 Ca -0.36 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.11 1qwv h ASP 63 Cb 1.17 0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1qwv h ASP 63 CO 0.59 0.06 0.00 -0.81 -1.61 0.00 0.00 179.24 177.47 1qwv n PRO 64 N -5.10 3.28 0.00 0.28 -0.05 -1.26 -4.93 135.00 127.22 1qwv n PRO 64 Ca -0.09 0.00 0.09 0.00 -0.05 0.00 0.00 63.50 63.46 1qwv n PRO 64 Cb 0.27 0.00 0.52 0.00 -0.05 0.00 0.00 33.50 34.24 1qwv n PRO 64 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1qwv n ASP 65 N 0.00 0.00 0.00 3.54 2.03 -1.26 -4.82 116.55 116.04 1qwv n ASP 65 Ca 0.00 -0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.03 1qwv n ASP 65 Cb 0.00 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 1qwv n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qwv n GLY 66 N 0.24 1.99 3.78 0.27 0.00 -1.26 -5.12 105.19 105.10 1qwv n GLY 66 Ca 0.11 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 5.49 -0.96 1.61 4.22 -1.26 -4.05 114.94 119.98 1qwv s ASN 67 Ca 0.00 1.97 -0.02 0.00 -2.14 0.00 0.00 52.86 52.68 1qwv s ASN 67 Cb 0.00 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 39.98 1qwv s ASN 67 CO 0.00 -1.37 0.20 -0.11 -2.04 0.00 0.00 177.10 173.78 1qwv n LEU 68 N -2.02 -1.92 -3.63 3.54 -0.00 -1.26 -4.49 117.00 107.22 1qwv n LEU 68 Ca 0.10 -0.10 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 1qwv n LEU 68 Cb 0.52 -1.93 -0.03 0.00 -0.00 0.00 0.00 43.42 41.98 1qwv n LEU 68 CO 0.46 0.02 2.40 0.00 -0.00 0.00 0.00 177.39 180.27 1qwv n HIS 69 N -3.99 2.52 -0.06 1.96 1.44 -1.26 -4.58 115.22 111.25 1qwv n HIS 69 Ca -0.10 -2.32 -0.03 0.00 -2.01 0.00 0.00 57.72 53.26 1qwv n HIS 69 Cb 0.59 -2.07 -0.01 0.00 0.12 0.00 0.00 29.99 28.62 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 6.97 0.00 0.25 -1.40 6.17 -1.90 -3.33 115.15 121.92 1qwv h HIS 70 Ca 0.50 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.58 1qwv h HIS 70 Cb 0.62 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.54 1qwv h HIS 70 CO 1.38 0.00 -0.18 0.78 0.71 0.00 0.00 177.93 180.62 1qwv h GLY 71 N -0.92 -0.44 0.97 5.26 0.00 -1.96 -2.32 103.07 103.66 1qwv h GLY 71 Ca 0.00 0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.64 1qwv h GLY 71 CO 0.00 -0.18 0.43 -0.57 0.00 0.00 0.00 176.54 176.22 1qwv h ASN 72 N -0.44 0.40 0.41 0.19 -0.73 -1.86 0.17 115.58 113.72 1qwv h ASN 72 Ca -0.02 0.01 -0.19 0.00 1.87 0.00 0.00 56.30 57.97 1qwv h ASN 72 Cb 0.38 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 1qwv h ASN 72 CO -0.00 0.24 -0.80 0.00 -0.37 0.00 0.00 177.43 176.50 1qwv h ALA 73 N 1.68 0.57 0.11 1.57 0.00 -1.56 0.26 119.26 121.89 1qwv h ALA 73 Ca 0.30 -0.66 -0.27 0.00 0.00 0.00 0.00 54.91 54.29 1qwv h ALA 73 Cb 0.58 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1qwv h ALA 73 CO -0.09 0.82 -1.18 0.87 0.00 0.00 0.00 179.25 179.67 1qwv h LYS 74 N 0.19 0.31 -0.72 0.00 1.79 -0.80 -2.21 116.57 115.14 1qwv h LYS 74 Ca -0.04 -0.48 -0.06 0.00 -2.18 0.00 0.00 60.65 57.89 1qwv h LYS 74 Cb 1.39 0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 32.18 1qwv h LYS 74 CO 0.13 1.20 0.20 0.22 -1.08 0.00 0.00 179.45 180.12 1qwv h ASP 75 N 0.11 1.07 -0.69 0.86 3.58 -0.60 -1.40 116.42 119.35 1qwv h ASP 75 Ca -0.13 -0.22 0.01 0.00 0.42 0.00 0.00 57.03 57.11 1qwv h ASP 75 Cb 1.89 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 42.62 1qwv h ASP 75 CO 0.20 1.02 0.46 0.15 -2.88 0.00 0.00 179.24 178.18 1qwv h PHE 76 N 1.08 0.85 -0.24 0.28 3.57 -0.41 -1.97 116.94 120.10 1qwv h PHE 76 Ca 0.23 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.61 1qwv h PHE 76 Cb 0.35 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1qwv h PHE 76 CO 0.03 0.53 -0.43 0.00 -2.23 0.00 0.00 178.31 176.20 1qwv h ALA 77 N 1.58 0.80 -0.17 2.41 0.00 -0.74 -1.18 119.26 121.95 1qwv h ALA 77 Ca 0.26 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1qwv h ALA 77 Cb -0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1qwv h ALA 77 CO -0.06 0.66 -0.32 0.52 0.00 0.00 0.00 179.25 180.05 1qwv h MET 78 N 0.48 0.34 0.00 0.00 2.86 -0.55 0.84 114.93 118.90 1qwv h MET 78 Ca 0.04 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1qwv h MET 78 Cb 0.95 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1qwv h MET 78 CO 0.08 0.63 -0.59 1.63 1.06 0.00 0.00 176.91 179.72 1qwv n LYS 79 N -4.09 0.03 -3.41 1.72 5.02 -0.88 -4.20 118.16 112.35 1qwv n LYS 79 Ca -0.01 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.08 1qwv n LYS 79 Cb 0.43 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 1qwv n LYS 79 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1qwv s HIS 80 N -3.02 -0.13 0.00 2.13 3.76 -0.45 -4.97 115.29 112.60 1qwv s HIS 80 Ca 0.10 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 1qwv s HIS 80 Cb 0.17 -0.55 0.00 0.00 1.11 0.00 0.00 32.58 33.31 1qwv s HIS 80 CO 0.73 -0.92 0.00 0.41 -0.85 0.00 0.00 174.74 174.11 1qwv n GLY 81 N 4.66 2.81 3.84 -2.22 0.00 -1.20 -4.44 105.19 108.63 1qwv n GLY 81 Ca 0.05 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 3.39 0.41 4.61 0.00 0.25 -3.46 121.76 126.96 1qwv s ALA 82 Ca 0.00 0.07 -0.23 0.00 0.00 0.00 0.00 51.96 51.80 1qwv s ALA 82 Cb 0.00 -2.76 -0.09 0.00 0.00 0.00 0.00 23.12 20.27 1qwv s ALA 82 CO 0.00 0.35 1.04 -0.51 0.00 0.00 0.00 175.76 176.63 1qwv s ASP 83 N -1.97 6.72 0.05 0.00 1.11 -1.26 -4.33 116.67 116.98 1qwv s ASP 83 Ca 0.48 1.99 -0.21 0.00 0.18 0.00 0.00 52.55 54.98 1qwv s ASP 83 Cb -0.13 -2.58 -0.13 0.00 1.07 0.00 0.00 42.92 41.15 1qwv s ASP 83 CO 0.19 -0.52 1.43 -0.08 1.18 0.00 0.00 175.17 177.38 1qwv h GLU 84 N 2.32 0.28 -1.00 8.23 4.81 -1.93 0.67 114.58 127.95 1qwv h GLU 84 Ca -0.48 -0.11 0.21 0.00 -0.13 0.00 0.00 59.36 58.85 1qwv h GLU 84 Cb 1.21 -0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.47 1qwv h GLU 84 CO 0.62 0.57 0.61 1.15 -0.73 0.00 0.00 179.01 181.23 1qwv h THR 85 N -0.03 0.64 0.18 0.32 2.02 -1.95 0.39 112.91 114.47 1qwv h THR 85 Ca 0.04 -0.23 -0.32 0.00 0.77 0.00 0.00 66.41 66.66 1qwv h THR 85 Cb 0.47 -0.10 0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1qwv h THR 85 CO 0.02 0.12 -1.54 0.00 0.37 0.00 0.00 175.52 174.49 1qwv h MET 86 N 0.67 0.37 -0.86 6.66 -0.00 -1.66 -2.64 114.93 117.48 1qwv h MET 86 Ca 0.60 -0.64 -0.00 0.00 -0.00 0.00 0.00 59.70 59.66 1qwv h MET 86 Cb 1.05 0.24 -0.04 0.00 -0.00 0.00 0.00 31.60 32.85 1qwv h MET 86 CO -0.41 1.27 0.52 0.00 -0.00 0.00 0.00 176.91 178.30 1qwv h ALA 87 N 0.31 1.10 0.00 -3.00 0.00 0.61 -1.32 119.26 116.96 1qwv h ALA 87 Ca -0.26 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1qwv h ALA 87 Cb 2.08 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1qwv h ALA 87 CO 0.20 0.55 -0.41 1.96 0.00 0.00 0.00 179.25 181.56 1qwv h GLN 88 N 1.18 0.00 0.00 0.00 7.50 -0.13 0.93 115.11 124.59 1qwv h GLN 88 Ca 0.31 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.41 1qwv h GLN 88 Cb -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.47 1qwv h GLN 88 CO -0.06 0.41 -0.65 -0.56 -1.50 0.00 0.00 178.83 176.46 1qwv h GLN 89 N 0.00 0.00 0.13 1.46 3.07 -1.30 -3.33 115.11 115.14 1qwv h GLN 89 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.43 1qwv h GLN 89 Cb 0.88 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.44 1qwv h GLN 89 CO 0.05 0.16 -1.54 1.25 0.09 0.00 0.00 178.83 178.84 1qwv h LEU 90 N 0.00 0.45 -1.70 0.06 6.46 -0.03 -3.37 115.31 117.17 1qwv h LEU 90 Ca -0.03 -0.88 0.04 0.00 -0.12 0.00 0.00 57.88 56.89 1qwv h LEU 90 Cb 1.18 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.95 1qwv h LEU 90 CO 0.02 1.68 0.26 -0.37 -0.62 0.00 0.00 178.44 179.41 1qwv h VAL 91 N -0.17 1.01 -0.74 1.05 -1.51 0.67 -0.89 116.25 115.66 1qwv h VAL 91 Ca -0.32 -0.13 -0.00 0.00 -1.23 0.00 0.00 66.70 65.01 1qwv h VAL 91 Cb 1.87 0.59 -0.04 0.00 -2.13 0.00 0.00 31.29 31.58 1qwv h VAL 91 CO 0.09 0.07 0.46 -0.78 -1.23 0.00 0.00 177.57 176.18 1qwv h ASP 92 N 0.38 0.89 -0.72 4.19 3.58 -1.72 -0.38 116.42 122.64 1qwv h ASP 92 Ca 0.16 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 1qwv h ASP 92 Cb 0.16 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 1qwv h ASP 92 CO -0.04 0.68 0.33 0.40 -2.88 0.00 0.00 179.24 177.74 1qwv h ILE 93 N 1.01 1.24 -0.35 2.25 5.03 -1.35 -2.19 117.51 123.15 1qwv h ILE 93 Ca 0.27 -0.69 0.04 0.00 -0.12 0.00 0.00 64.86 64.36 1qwv h ILE 93 Cb -0.05 0.36 -0.04 0.00 -3.03 0.00 0.00 36.82 34.06 1qwv h ILE 93 CO -0.05 0.29 0.12 0.40 -0.68 0.00 0.00 178.15 178.23 1qwv h ILE 94 N 1.01 0.90 -0.31 -0.67 2.04 -0.46 0.57 117.51 120.59 1qwv h ILE 94 Ca 0.25 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.91 1qwv h ILE 94 Cb 0.14 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1qwv h ILE 94 CO -0.03 0.05 -0.24 0.45 0.00 0.00 0.00 178.15 178.38 1qwv h HIS 95 N 0.27 0.70 0.07 1.37 3.86 -0.96 -1.14 115.15 119.33 1qwv h HIS 95 Ca 0.16 -0.16 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 1qwv h HIS 95 Cb 0.13 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 1qwv h HIS 95 CO -0.14 0.81 -0.93 0.78 0.86 0.00 0.00 177.93 179.31 1qwv h GLY 96 N 1.00 0.17 1.57 2.45 0.00 -0.81 -2.51 103.07 104.94 1qwv h GLY 96 Ca 0.08 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 46.80 1qwv h GLY 96 CO 0.05 0.37 -0.73 0.00 0.00 0.00 0.00 176.54 176.24 1qwv h GLU 98 N 0.29 0.79 -0.59 0.00 5.08 -1.34 0.16 114.58 118.97 1qwv h GLU 98 Ca -0.03 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 1qwv h GLU 98 Cb 1.30 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1qwv h GLU 98 CO 0.13 0.85 0.18 -0.22 -1.00 0.00 0.00 179.01 178.95 1qwv h LYS 99 N 0.72 0.91 -0.68 2.33 1.63 -1.14 -2.77 116.57 117.58 1qwv h LYS 99 Ca 0.13 -0.20 -0.13 0.00 -0.85 0.00 0.00 60.65 59.60 1qwv h LYS 99 Cb 0.55 -0.13 -0.08 0.00 -0.60 0.00 0.00 32.23 31.97 1qwv h LYS 99 CO 0.03 0.82 0.17 0.43 -3.45 0.00 0.00 179.45 177.45 1qwv n SER 100 N -4.41 5.20 -4.86 4.20 7.64 0.09 -4.97 113.62 116.50 1qwv n SER 100 Ca 0.03 -3.12 -0.31 0.00 1.01 0.00 0.00 58.87 56.48 1qwv n SER 100 Cb 0.21 -0.72 -0.02 0.00 -1.01 0.00 0.00 64.21 62.67 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 -2.92 3.15 0.28 -0.43 0.00 0.56 -4.96 121.76 117.44 1qwv s ALA 101 Ca 0.55 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 52.22 1qwv s ALA 101 Cb 0.43 -2.99 -0.15 0.00 0.00 0.00 0.00 23.12 20.41 1qwv s ALA 101 CO 0.14 -0.36 0.66 -2.30 0.00 0.00 0.00 175.76 173.90 1qwv n PRO 102 N -1.98 0.55 0.00 0.00 -0.02 -1.26 -4.77 135.00 127.52 1qwv n PRO 102 Ca 0.05 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1qwv n PRO 102 Cb 0.54 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 1qwv n PRO 102 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1qwv n PRO 103 N 0.86 0.60 -3.82 0.52 -0.04 -1.26 -4.28 135.00 127.58 1qwv n PRO 103 Ca 0.14 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.25 1qwv n PRO 103 Cb 0.31 -1.27 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 1qwv n PRO 103 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1qwv s ASN 104 N 0.02 4.99 -0.73 3.54 -0.87 -1.26 -5.05 114.94 115.57 1qwv s ASN 104 Ca 0.00 -2.58 -0.26 0.00 -1.57 0.00 0.00 52.86 48.45 1qwv s ASN 104 Cb 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 41.25 39.46 1qwv s ASN 104 CO 0.00 -0.39 1.63 -0.62 -2.57 0.00 0.00 177.10 175.15 1qwv s ASP 105 N 0.81 5.68 -0.34 -1.22 2.15 -1.26 -4.95 116.67 117.54 1qwv s ASP 105 Ca 0.14 -0.24 -0.21 0.00 0.43 0.00 0.00 52.55 52.66 1qwv s ASP 105 Cb -0.22 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 1qwv s ASP 105 CO -0.03 -2.15 0.69 -0.62 -0.17 0.00 0.00 175.17 172.88 1qwv s ASP 106 N 6.29 6.50 0.05 -0.34 -1.08 -1.26 -4.97 116.67 121.86 1qwv s ASP 106 Ca 0.54 0.33 -0.10 0.00 -0.52 0.00 0.00 52.55 52.80 1qwv s ASP 106 Cb -0.09 -2.36 -0.02 0.00 -1.46 0.00 0.00 42.92 38.99 1qwv s ASP 106 CO 0.13 -0.61 0.66 1.17 0.52 0.00 0.00 175.17 177.04 1qwv n LYS 107 N 6.12 -0.14 0.01 4.34 0.00 -1.26 -1.44 118.16 125.79 1qwv n LYS 107 Ca 0.01 0.65 0.11 0.00 0.00 0.00 0.00 58.31 59.07 1qwv n LYS 107 Cb 0.48 -0.96 -0.04 0.00 0.00 0.00 0.00 35.03 34.52 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 -0.65 0.00 2.86 -1.57 -3.38 114.93 112.19 1qwv h MET 109 Ca 0.00 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1qwv h MET 109 Cb 0.64 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.23 1qwv h MET 109 CO 0.00 0.41 0.29 1.57 1.06 0.00 0.00 176.91 180.24 1qwv h LYS 110 N 0.00 0.49 0.00 1.72 -0.00 -1.67 0.43 116.57 117.54 1qwv h LYS 110 Ca -0.12 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.50 1qwv h LYS 110 Cb 1.58 -0.11 0.00 0.00 -0.00 0.00 0.00 32.23 33.70 1qwv h LYS 110 CO 0.06 0.32 0.07 -2.37 -0.00 0.00 0.00 179.45 177.53 1qwv n THR 111 N -4.93 1.21 -0.01 0.07 5.66 -1.26 -1.01 114.28 114.01 1qwv n THR 111 Ca 0.10 0.66 -0.19 0.00 -3.05 0.00 0.00 64.05 61.57 1qwv n THR 111 Cb 0.27 -1.66 -0.14 0.00 -1.55 0.00 0.00 70.33 67.25 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 -1.95 1.72 -0.28 1.09 -0.00 0.15 -2.17 119.36 117.93 1qwv n ILE 112 Ca -0.01 -0.68 0.02 0.00 -0.00 0.00 0.00 62.75 62.09 1qwv n ILE 112 Cb 0.09 -1.56 0.23 0.00 -0.00 0.00 0.00 39.64 38.41 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 0.05 0.91 0.47 4.38 3.32 -0.88 0.17 116.42 124.85 1qwv h ASP 113 Ca -0.41 -0.01 -0.28 0.00 0.02 0.00 0.00 57.03 56.35 1qwv h ASP 113 Cb 2.03 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 41.38 1qwv h ASP 113 CO 0.07 0.61 -1.22 -0.37 -1.72 0.00 0.00 179.24 176.62 1qwv h VAL 114 N 1.05 1.43 -0.29 -1.35 -1.51 -1.49 -2.67 116.25 111.41 1qwv h VAL 114 Ca 0.35 -2.83 -0.00 0.00 -1.23 0.00 0.00 66.70 62.98 1qwv h VAL 114 Cb 0.07 2.83 -0.01 0.00 -2.13 0.00 0.00 31.29 32.05 1qwv h VAL 114 CO -0.11 0.84 0.16 0.00 -1.23 0.00 0.00 177.57 177.23 1qwv h ALA 115 N 0.53 0.37 0.00 5.19 0.00 -0.91 -0.88 119.26 123.56 1qwv h ALA 115 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1qwv h ALA 115 Cb 1.92 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1qwv h ALA 115 CO 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1qwv h MET 116 N 0.36 0.00 -0.00 0.00 -0.00 -0.75 -1.16 114.93 113.37 1qwv h MET 116 Ca 0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.67 1qwv h MET 116 Cb 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.64 1qwv h MET 116 CO -0.02 0.00 -0.63 0.00 -0.00 0.00 0.00 176.91 176.26 1qwv h PHE 118 N 0.01 0.88 0.00 0.00 3.57 -0.03 -2.73 116.94 118.63 1qwv h PHE 118 Ca -0.01 -0.64 -0.04 0.00 3.53 0.00 0.00 57.97 60.81 1qwv h PHE 118 Cb 1.12 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1qwv h PHE 118 CO 0.00 1.60 -0.20 1.57 -2.23 0.00 0.00 178.31 179.05 1qwv h LYS 119 N 0.13 0.00 -0.01 1.11 -0.00 -1.47 0.58 116.57 116.91 1qwv h LYS 119 Ca -0.29 0.00 0.03 0.00 -0.00 0.00 0.00 60.65 60.40 1qwv h LYS 119 Cb 2.14 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 34.32 1qwv h LYS 119 CO 0.24 0.20 -0.30 -0.22 -0.00 0.00 0.00 179.45 179.37 1qwv h LYS 120 N 0.00 -0.43 -0.11 0.07 1.63 -1.48 -1.29 116.57 114.96 1qwv h LYS 120 Ca -0.00 0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 1qwv h LYS 120 Cb 0.64 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.35 1qwv h LYS 120 CO 0.03 -0.29 0.01 0.93 -3.45 0.00 0.00 179.45 176.68 1qwv h GLU 121 N -0.45 0.05 -0.57 1.90 4.39 -0.59 -1.69 114.58 117.61 1qwv h GLU 121 Ca 0.06 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.82 1qwv h GLU 121 Cb 0.54 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 1qwv h GLU 121 CO -0.26 0.03 0.38 0.97 -1.16 0.00 0.00 179.01 178.97 1qwv h ILE 122 N 0.05 0.99 0.00 3.13 2.10 0.04 -0.34 117.51 123.49 1qwv h ILE 122 Ca 0.05 -0.19 -0.10 0.00 1.08 0.00 0.00 64.86 65.70 1qwv h ILE 122 Cb 0.05 0.40 -0.01 0.00 -1.09 0.00 0.00 36.82 36.17 1qwv h ILE 122 CO -0.08 0.10 -0.50 0.45 -1.08 0.00 0.00 178.15 177.04 1qwv h HIS 123 N 0.54 0.00 -0.37 2.19 3.86 -0.70 -2.19 115.15 118.49 1qwv h HIS 123 Ca 0.25 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.42 1qwv h HIS 123 Cb 0.28 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 1qwv h HIS 123 CO -0.00 0.50 0.07 -0.22 0.86 0.00 0.00 177.93 179.14 1qwv h LYS 124 N 0.00 0.54 0.00 2.45 1.63 -0.16 0.57 116.57 121.60 1qwv h LYS 124 Ca -0.00 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1qwv h LYS 124 Cb 0.90 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1qwv h LYS 124 CO 0.06 0.52 0.00 1.28 -3.45 0.00 0.00 179.45 177.86 1qwv n LEU 125 N -4.32 0.19 0.00 5.20 4.77 -0.85 -5.01 117.00 116.97 1qwv n LEU 125 Ca 0.02 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1qwv n LEU 125 Cb 0.20 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1qwv n LEU 125 CO 0.38 -0.27 0.00 0.59 -1.33 0.00 0.00 177.39 176.76 1qwv n ASN 126 N -1.70 -2.41 -4.55 -1.43 5.03 0.19 -4.61 115.26 105.78 1qwv n ASN 126 Ca 0.04 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.12 1qwv n ASN 126 Cb 0.22 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.95 1qwv n ASN 126 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1qwv s TRP 127 N 0.00 1.79 0.19 3.10 0.52 -1.26 -4.72 118.94 118.56 1qwv s TRP 127 Ca 0.00 0.60 -0.26 0.00 0.02 0.00 0.00 56.10 56.46 1qwv s TRP 127 Cb 0.00 -4.16 -0.08 0.00 -1.15 0.00 0.00 33.47 28.07 1qwv s TRP 127 CO 0.00 -2.16 0.81 0.14 0.02 0.00 0.00 176.95 175.76 1qwv s VAL 128 N 8.76 4.31 -0.99 4.03 -7.23 -1.26 -4.96 120.40 123.06 1qwv s VAL 128 Ca 0.63 1.76 -0.23 0.00 -1.81 0.00 0.00 61.98 62.34 1qwv s VAL 128 Cb -0.10 -4.16 -0.13 0.00 0.56 0.00 0.00 36.38 32.55 1qwv s VAL 128 CO 0.15 0.49 1.92 -2.65 -0.31 0.00 0.00 175.10 174.70 1qwv n PRO 129 N 1.50 1.50 -3.85 4.82 -0.02 -1.26 -4.84 135.00 132.85 1qwv n PRO 129 Ca -0.05 -2.18 -0.29 0.00 -2.02 0.00 0.00 63.50 58.97 1qwv n PRO 129 Cb 0.48 -3.38 -0.16 0.00 -0.02 0.00 0.00 33.50 30.42 1qwv n PRO 129 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1qwv s ASN 130 N 5.94 3.41 0.57 2.55 0.02 -1.26 -4.94 114.94 121.22 1qwv s ASN 130 Ca 0.64 -1.00 0.00 0.00 -1.02 0.00 0.00 52.86 51.48 1qwv s ASN 130 Cb 0.06 -0.92 0.00 0.00 0.02 0.00 0.00 41.25 40.41 1qwv s ASN 130 CO 0.14 -0.26 0.00 1.15 0.02 0.00 0.00 177.10 178.14 1qwv n MET 131 N 4.84 -3.33 -1.35 -0.60 0.00 -1.26 -4.82 117.12 110.60 1qwv n MET 131 Ca -0.11 2.68 -0.09 0.00 0.00 0.00 0.00 57.70 60.19 1qwv n MET 131 Cb 0.45 -3.66 0.04 0.00 0.00 0.00 0.00 33.22 30.06 1qwv n MET 131 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1qwv n ASP 132 N -3.68 0.51 -4.55 3.17 9.92 -1.26 -5.07 116.55 115.59 1qwv n ASP 132 Ca -0.06 -1.43 -0.37 0.00 -0.53 0.00 0.00 54.79 52.40 1qwv n ASP 132 Cb 0.58 -0.24 -0.11 0.00 -0.64 0.00 0.00 41.12 40.71 1qwv n ASP 132 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1qwv s LEU 133 N 0.00 3.82 -0.38 0.64 1.98 -1.26 -5.06 118.68 118.41 1qwv s LEU 133 Ca 0.24 -0.06 -0.22 0.00 -2.89 0.00 0.00 54.13 51.20 1qwv s LEU 133 Cb -0.01 -2.04 0.01 0.00 0.66 0.00 0.00 46.19 44.80 1qwv s LEU 133 CO 0.16 -0.02 0.74 0.68 -1.89 0.00 0.00 176.35 176.02 1qwv s VAL 134 N 1.58 4.76 -0.98 1.68 -7.23 -1.26 -4.99 120.40 113.96 1qwv s VAL 134 Ca 0.07 0.70 -0.22 0.00 -1.81 0.00 0.00 61.98 60.72 1qwv s VAL 134 Cb -0.15 -4.20 0.08 0.00 0.56 0.00 0.00 36.38 32.67 1qwv s VAL 134 CO 0.07 -0.46 1.33 -0.63 -0.31 0.00 0.00 175.10 175.10 1qwv s ILE 135 N 3.03 4.19 -0.40 -0.62 1.09 -1.26 -4.82 121.20 122.41 1qwv s ILE 135 Ca 0.29 -1.00 0.08 0.00 -1.10 0.00 0.00 60.65 58.92 1qwv s ILE 135 Cb -0.13 -4.96 0.25 0.00 -1.06 0.00 0.00 42.46 36.56 1qwv s ILE 135 CO 0.17 -1.79 0.58 0.61 -0.10 0.00 0.00 174.94 174.42 1qwv n GLY 136 N 6.36 2.45 0.00 6.18 0.00 -1.26 -5.00 105.19 113.92 1qwv n GLY 136 Ca 0.29 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1qwv n GLY 136 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qwv n GLU 137 N 1.44 0.00 -1.77 1.61 2.13 -1.26 -4.95 120.64 117.83 1qwv n GLU 137 Ca 0.19 0.14 0.00 0.00 0.66 0.00 0.00 57.16 58.15 1qwv n GLU 137 Cb 0.55 -0.61 0.00 0.00 0.27 0.00 0.00 31.44 31.65 1qwv n GLU 137 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1qwv n VAL 138 N -1.04-10.75 -0.87 6.31 0.31 -1.26 -4.98 118.33 106.05 1qwv n VAL 138 Ca 0.00 2.54 0.05 0.00 -0.01 0.00 0.00 64.34 66.93 1qwv n VAL 138 Cb 0.00 -4.87 0.08 0.00 -0.91 0.00 0.00 33.84 28.13 1qwv n VAL 138 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1qwv n LEU 139 N 1.42 1.85 -3.64 7.52 -0.00 -1.26 -5.03 117.00 117.86 1qwv n LEU 139 Ca 0.00 -2.37 -0.13 0.00 -0.00 0.00 0.00 56.01 53.51 1qwv n LEU 139 Cb 0.00 -0.24 -0.06 0.00 -0.00 0.00 0.00 43.42 43.12 1qwv n LEU 139 CO 0.00 0.56 0.18 0.00 -0.00 0.00 0.00 177.39 178.13 1qwv s ALA 140 N -1.86 -1.07 0.57 1.96 0.00 -1.26 -5.17 121.76 114.92 1qwv s ALA 140 Ca 0.18 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.45 1qwv s ALA 140 Cb 0.15 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.66 1qwv s ALA 140 CO 0.02 -0.48 0.85 -1.21 0.00 0.00 0.00 175.76 174.94 1qwv s GLU 141 N -2.54 2.83 0.00 0.00 2.02 -1.26 -5.23 118.70 114.52 1qwv s GLU 141 Ca -0.05 -0.22 0.00 0.00 0.02 0.00 0.00 54.97 54.72 1qwv s GLU 141 Cb -0.01 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.88 1qwv s GLU 141 CO -0.03 -0.67 0.00 1.55 0.02 0.00 0.00 175.26 176.14