#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 1.72 0.00 1.43 -0.04 -1.26 -4.11 135.00 132.74 1qwv n PRO 2 Ca 0.00 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1qwv n PRO 2 Cb 0.00 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1qwv n PRO 2 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1qwv n GLU 3 N 0.33 0.00 0.06 0.54 4.71 -1.26 -1.58 120.64 123.44 1qwv n GLU 3 Ca 0.15 0.50 0.12 0.00 -0.01 0.00 0.00 57.16 57.91 1qwv n GLU 3 Cb 0.31 -1.29 0.06 0.00 -1.01 0.00 0.00 31.44 29.51 1qwv n GLU 3 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1qwv n ILE 4 N -1.71 0.36 0.03 -3.67 2.08 -1.26 -4.12 119.36 111.07 1qwv n ILE 4 Ca 0.00 -0.35 -0.06 0.00 0.56 0.00 0.00 62.75 62.90 1qwv n ILE 4 Cb 0.00 -0.08 0.13 0.00 -0.75 0.00 0.00 39.64 38.94 1qwv n ILE 4 CO 0.00 0.00 0.00 -0.03 0.56 0.00 0.00 176.55 177.08 1qwv h MET 5 N 0.00 0.46 -4.31 0.38 4.05 -1.71 -3.36 114.93 110.43 1qwv h MET 5 Ca 0.00 -0.24 -0.74 0.00 -0.28 0.00 0.00 59.70 58.44 1qwv h MET 5 Cb 0.82 0.01 -0.23 0.00 -0.80 0.00 0.00 31.60 31.40 1qwv h MET 5 CO 0.00 0.81 -0.34 0.21 0.23 0.00 0.00 176.91 177.82 1qwv s LYS 6 N -4.16 2.96 -0.17 0.39 2.20 -0.61 -5.03 119.74 115.33 1qwv s LYS 6 Ca -0.06 -1.35 -0.29 0.00 -0.36 0.00 0.00 55.97 53.91 1qwv s LYS 6 Cb 0.12 -4.11 -0.05 0.00 -1.51 0.00 0.00 37.83 32.28 1qwv s LYS 6 CO 0.81 -1.02 2.08 1.21 -0.36 0.00 0.00 175.35 178.08 1qwv s ASN 7 N 2.56 5.77 0.56 1.43 3.04 -1.26 -4.79 114.94 122.24 1qwv s ASN 7 Ca 0.04 1.99 0.32 0.00 0.04 0.00 0.00 52.86 55.24 1qwv s ASN 7 Cb -0.24 -2.52 1.63 0.00 -1.54 0.00 0.00 41.25 38.59 1qwv s ASN 7 CO 0.07 -1.69 2.12 0.17 -3.04 0.00 0.00 177.10 174.72 1qwv h LEU 8 N 13.75 0.00 -0.76 3.21 -0.00 -1.90 -0.32 115.31 129.29 1qwv h LEU 8 Ca -0.42 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.41 1qwv h LEU 8 Cb 1.23 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.85 1qwv h LEU 8 CO 0.97 0.07 0.27 0.28 -0.00 0.00 0.00 178.44 180.03 1qwv h SER 9 N 0.00 1.08 0.79 0.17 0.02 -1.88 0.21 113.55 113.93 1qwv h SER 9 Ca -0.00 -0.19 -0.17 0.00 -0.84 0.00 0.00 61.79 60.59 1qwv h SER 9 Cb 0.29 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1qwv h SER 9 CO 0.01 0.98 -0.80 -1.13 -1.14 0.00 0.00 176.83 174.75 1qwv h ASN 10 N 1.12 0.01 0.12 3.07 -0.00 -1.57 -1.57 115.58 116.77 1qwv h ASN 10 Ca 0.25 -0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.53 1qwv h ASN 10 Cb 0.26 -0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.58 1qwv h ASN 10 CO -0.01 0.81 -0.06 -1.13 -0.00 0.00 0.00 177.43 177.03 1qwv h ASN 11 N 0.01 -0.14 0.00 1.15 -1.24 -0.63 -3.34 115.58 111.38 1qwv h ASN 11 Ca -0.01 -0.30 0.00 0.00 0.71 0.00 0.00 56.30 56.70 1qwv h ASN 11 Cb 1.42 0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.50 1qwv h ASN 11 CO 0.11 0.24 0.00 0.49 -1.29 0.00 0.00 177.43 176.98 1qwv n PHE 12 N -4.99 0.00 -4.01 0.67 3.72 0.68 -4.89 117.46 108.64 1qwv n PHE 12 Ca -0.09 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.99 1qwv n PHE 12 Cb 0.23 -0.03 0.01 0.00 -0.94 0.00 0.00 39.48 38.75 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 -0.61 -0.48 0.27 1.37 0.00 -0.59 -4.87 105.19 100.28 1qwv n GLY 13 Ca 0.00 0.17 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 1qwv n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qwv h LYS 14 N -1.84 0.92 -2.48 1.61 1.79 -1.90 -3.41 116.57 111.26 1qwv h LYS 14 Ca -0.58 -0.15 -0.37 0.00 -2.18 0.00 0.00 60.65 57.37 1qwv h LYS 14 Cb 1.38 -0.16 -0.36 0.00 -1.58 0.00 0.00 32.23 31.51 1qwv h LYS 14 CO 0.71 0.76 -0.66 0.00 -1.08 0.00 0.00 179.45 179.17 1qwv s ALA 15 N -5.63 -0.13 0.04 3.86 0.00 -1.26 -5.01 121.76 113.63 1qwv s ALA 15 Ca -0.13 -0.20 -0.17 0.00 0.00 0.00 0.00 51.96 51.46 1qwv s ALA 15 Cb 0.13 -1.47 -0.22 0.00 0.00 0.00 0.00 23.12 21.56 1qwv s ALA 15 CO 0.80 -1.45 1.17 1.98 0.00 0.00 0.00 175.76 178.25 1qwv h MET 16 N 8.32 0.57 0.00 0.00 4.05 -2.01 -3.27 114.93 122.60 1qwv h MET 16 Ca -0.16 -0.59 -0.01 0.00 -0.28 0.00 0.00 59.70 58.66 1qwv h MET 16 Cb 1.10 0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 32.06 1qwv h MET 16 CO 0.33 1.20 -0.04 0.22 0.23 0.00 0.00 176.91 178.85 1qwv h ASP 17 N 0.17 0.00 0.88 1.39 1.82 -1.98 -2.14 116.42 116.56 1qwv h ASP 17 Ca -0.09 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.40 1qwv h ASP 17 Cb 1.46 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.45 1qwv h ASP 17 CO 0.16 0.04 -1.21 1.56 -1.61 0.00 0.00 179.24 178.18 1qwv h GLN 18 N 0.00 0.00 -0.10 0.28 1.08 -1.99 -2.42 115.11 111.96 1qwv h GLN 18 Ca -0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 1qwv h GLN 18 Cb 0.20 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1qwv h GLN 18 CO 0.01 0.32 -0.60 0.00 -0.95 0.00 0.00 178.83 177.60 1qwv h LYS 20 N 0.25 -0.66 -0.17 0.00 1.63 -1.37 -2.18 116.57 114.07 1qwv h LYS 20 Ca -0.01 0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.74 1qwv h LYS 20 Cb 1.12 0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1qwv h LYS 20 CO 0.10 -0.44 -0.29 0.22 -3.45 0.00 0.00 179.45 175.59 1qwv h ASP 21 N -0.68 0.55 -0.65 4.20 3.58 -1.45 0.11 116.42 122.07 1qwv h ASP 21 Ca -0.05 -0.54 -0.07 0.00 0.42 0.00 0.00 57.03 56.79 1qwv h ASP 21 Cb 0.55 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 1qwv h ASP 21 CO 0.06 0.98 0.15 -0.08 -2.88 0.00 0.00 179.24 177.47 1qwv h GLU 22 N 0.14 1.07 0.00 0.28 4.57 -1.29 -2.06 114.58 117.29 1qwv h GLU 22 Ca 0.01 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1qwv h GLU 22 Cb 0.88 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1qwv h GLU 22 CO 0.07 0.95 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.54 1qwv h LEU 23 N 1.01 0.00 -1.41 1.64 -0.00 -1.44 -3.47 115.31 111.64 1qwv h LEU 23 Ca 0.21 -0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.76 1qwv h LEU 23 Cb 0.38 0.00 0.15 0.00 -0.00 0.00 0.00 40.66 41.19 1qwv h LEU 23 CO 0.00 0.00 -0.68 -1.20 -0.00 0.00 0.00 178.44 176.57 1qwv n SER 24 N -2.95 -3.34 -4.67 -0.43 7.64 -0.36 -4.88 113.62 104.63 1qwv n SER 24 Ca 0.03 -0.55 -0.42 0.00 1.01 0.00 0.00 58.87 58.94 1qwv n SER 24 Cb 0.53 -4.73 -0.03 0.00 -1.01 0.00 0.00 64.21 58.97 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 -6.26 4.39 0.62 -3.43 1.43 0.22 -4.95 118.68 110.70 1qwv s LEU 25 Ca 0.18 2.54 -0.19 0.00 -1.03 0.00 0.00 54.13 55.63 1qwv s LEU 25 Cb -0.08 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 1qwv s LEU 25 CO 0.67 -0.99 1.28 -2.84 0.23 0.00 0.00 176.35 174.70 1qwv s PRO 26 N 3.80 2.71 0.38 1.29 0.02 -1.26 -4.72 135.00 137.23 1qwv s PRO 26 Ca 0.81 2.02 0.05 0.00 0.02 0.00 0.00 61.00 63.90 1qwv s PRO 26 Cb -0.40 -1.90 0.75 0.00 0.02 0.00 0.00 34.50 32.96 1qwv s PRO 26 CO 0.36 -1.46 2.04 0.38 -0.33 0.00 0.00 177.00 177.98 1qwv h ASP 27 N 0.72 0.60 -0.38 2.53 2.03 -1.99 0.67 116.42 120.60 1qwv h ASP 27 Ca -0.51 -0.02 -0.15 0.00 -0.73 0.00 0.00 57.03 55.63 1qwv h ASP 27 Cb 1.32 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 39.67 1qwv h ASP 27 CO 0.54 0.43 -0.33 0.28 -1.03 0.00 0.00 179.24 179.13 1qwv h SER 28 N 0.71 0.96 0.09 4.15 0.02 -2.00 -2.70 113.55 114.78 1qwv h SER 28 Ca 0.19 -0.41 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1qwv h SER 28 Cb -0.08 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.19 1qwv h SER 28 CO -0.04 1.20 -0.04 0.58 -1.14 0.00 0.00 176.83 177.38 1qwv h VAL 29 N 0.76 1.10 -0.78 2.27 2.07 -1.61 -2.03 116.25 118.04 1qwv h VAL 29 Ca 0.08 -1.39 0.06 0.00 0.82 0.00 0.00 66.70 66.27 1qwv h VAL 29 Cb 0.91 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 32.53 1qwv h VAL 29 CO 0.08 0.31 0.51 1.62 0.02 0.00 0.00 177.57 180.11 1qwv h VAL 30 N -0.83 1.04 0.10 2.57 3.04 -1.00 0.63 116.25 121.80 1qwv h VAL 30 Ca -0.01 -0.29 -0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1qwv h VAL 30 Cb 0.59 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 29.99 1qwv h VAL 30 CO 0.02 0.15 -0.05 0.00 -1.01 0.00 0.00 177.57 176.69 1qwv h ALA 31 N 1.58 -0.13 0.00 3.17 0.00 -1.54 -2.75 119.26 119.59 1qwv h ALA 31 Ca 0.34 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1qwv h ALA 31 Cb 0.24 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1qwv h ALA 31 CO -0.12 -0.44 -0.20 0.22 0.00 0.00 0.00 179.25 178.71 1qwv h ASP 32 N -0.40 0.00 -0.16 0.00 3.58 -0.54 -1.71 116.42 117.19 1qwv h ASP 32 Ca -0.01 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.48 1qwv h ASP 32 Cb 0.34 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.35 1qwv h ASP 32 CO 0.02 0.20 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.43 1qwv h LEU 33 N 0.00 -0.29 -0.06 2.28 3.38 0.34 -2.07 115.31 118.88 1qwv h LEU 33 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1qwv h LEU 33 Cb 0.75 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1qwv h LEU 33 CO 0.03 -0.12 0.00 -1.22 0.09 0.00 0.00 178.44 177.22 1qwv n TYR 34 N -5.24 0.00 -1.69 1.13 4.01 -0.66 -4.90 117.16 109.81 1qwv n TYR 34 Ca -0.03 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.27 1qwv n TYR 34 Cb 0.16 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 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 -0.47 3.52 0.00 7.72 2.85 -0.78 -4.90 115.26 123.21 1qwv n ASN 35 Ca 0.00 1.08 -0.12 0.00 -0.11 0.00 0.00 54.58 55.43 1qwv n ASN 35 Cb 0.01 -1.50 0.01 0.00 1.24 0.00 0.00 39.78 39.54 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 6.16 0.79 -3.28 1.20 3.57 -1.90 -3.42 116.94 120.06 1qwv h PHE 36 Ca -0.44 -0.32 -0.58 0.00 3.53 0.00 0.00 57.97 60.16 1qwv h PHE 36 Cb 1.23 -0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.76 1qwv h PHE 36 CO 0.63 1.09 -0.16 1.67 -2.23 0.00 0.00 178.31 179.31 1qwv s TRP 37 N -3.83 3.55 -1.26 0.41 -2.14 -1.26 -4.99 118.94 109.41 1qwv s TRP 37 Ca -0.08 0.89 -0.11 0.00 2.66 0.00 0.00 56.10 59.46 1qwv s TRP 37 Cb 0.10 -2.50 0.17 0.00 -3.10 0.00 0.00 33.47 28.14 1qwv s TRP 37 CO 0.86 0.25 1.74 0.36 -2.66 0.00 0.00 176.95 177.50 1qwv n LYS 38 N 3.35 3.54 -0.50 3.25 2.85 -1.26 -4.85 118.16 124.53 1qwv n LYS 38 Ca -0.09 -3.62 0.41 0.00 -1.05 0.00 0.00 58.31 53.96 1qwv n LYS 38 Cb 0.52 -2.97 0.71 0.00 -0.65 0.00 0.00 35.03 32.64 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 6.19 0.14 -4.37 -5.58 3.58 -1.95 -3.45 116.42 110.99 1qwv h ASP 39 Ca 0.37 0.07 -0.20 0.00 0.42 0.00 0.00 57.03 57.69 1qwv h ASP 39 Cb 0.71 0.06 0.11 0.00 1.72 0.00 0.00 39.33 41.93 1qwv h ASP 39 CO 1.51 -0.09 -0.50 -0.67 -2.88 0.00 0.00 179.24 176.61 1qwv n ASP 40 N -4.39 -2.40 -4.65 2.28 2.03 -1.26 -5.05 116.55 103.10 1qwv n ASP 40 Ca 0.37 -0.40 -0.24 0.00 0.52 0.00 0.00 54.79 55.04 1qwv n ASP 40 Cb 1.56 -3.47 0.11 0.00 -0.72 0.00 0.00 41.12 38.60 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 -3.23 1.53 -0.29 -0.67 1.13 -1.26 -5.04 117.35 109.52 1qwv s TYR 41 Ca 0.04 -0.28 -0.26 0.00 -1.41 0.00 0.00 57.07 55.16 1qwv s TYR 41 Cb -0.00 -3.02 0.01 0.00 -1.10 0.00 0.00 41.96 37.84 1qwv s TYR 41 CO 0.47 -1.76 0.92 0.08 -2.51 0.00 0.00 175.55 172.75 1qwv s VAL 42 N -3.17 4.70 -0.79 -3.49 1.01 -1.26 -4.95 120.40 112.45 1qwv s VAL 42 Ca 0.67 1.55 -0.25 0.00 0.00 0.00 0.00 61.98 63.95 1qwv s VAL 42 Cb -0.05 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 1qwv s VAL 42 CO 0.45 -0.27 2.03 -0.32 0.00 0.00 0.00 175.10 176.98 1qwv s MET 43 N 3.18 2.39 0.00 2.72 1.75 -1.26 -4.73 119.30 123.34 1qwv s MET 43 Ca 0.38 0.14 0.23 0.00 -1.25 0.00 0.00 55.69 55.19 1qwv s MET 43 Cb -0.14 -4.84 0.13 0.00 2.84 0.00 0.00 34.83 32.82 1qwv s MET 43 CO 0.11 -3.40 1.15 0.25 -0.65 0.00 0.00 175.02 172.48 1qwv n THR 44 N 7.88 0.00 -3.64 10.11 -2.24 -1.26 -4.88 114.28 120.25 1qwv n THR 44 Ca 0.37 -0.05 -0.37 0.00 -2.27 0.00 0.00 64.05 61.73 1qwv n THR 44 Cb 0.48 0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 69.38 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 -2.88 6.47 0.45 3.42 2.15 -1.26 -4.97 116.67 120.05 1qwv s ASP 45 Ca 0.12 0.55 0.25 0.00 0.43 0.00 0.00 52.55 53.90 1qwv s ASP 45 Cb 0.17 -2.16 0.66 0.00 -0.30 0.00 0.00 42.92 41.29 1qwv s ASP 45 CO 0.74 0.23 1.72 0.03 -0.17 0.00 0.00 175.17 177.72 1qwv h ARG 46 N 5.85 0.00 0.00 4.34 -0.00 -1.96 -2.71 114.38 119.91 1qwv h ARG 46 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.01 1qwv h ARG 46 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.16 1qwv h ARG 46 CO 0.68 0.09 0.00 -0.07 0.00 0.00 0.00 179.97 180.67 1qwv h LEU 47 N 0.00 0.00 0.00 3.04 -0.00 -1.96 -2.64 115.31 113.75 1qwv h LEU 47 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1qwv h LEU 47 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.54 1qwv h LEU 47 CO 0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 178.44 178.31 1qwv h ALA 48 N 2.47 0.00 -0.90 1.53 0.00 -1.88 -1.98 119.26 118.50 1qwv h ALA 48 Ca 0.00 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 54.97 1qwv h ALA 48 Cb 0.75 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 18.51 1qwv h ALA 48 CO 0.00 0.14 -0.06 0.78 0.00 0.00 0.00 179.25 180.10 1qwv h GLY 49 N -0.81 0.94 0.89 0.00 0.00 -1.67 -0.09 103.07 102.33 1qwv h GLY 49 Ca 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 1qwv h GLY 49 CO 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 176.54 176.08 1qwv n ALA 51 N -2.40 2.48 0.17 0.00 0.00 -0.75 -2.52 120.51 117.49 1qwv n ALA 51 Ca -0.03 -0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.39 1qwv n ALA 51 Cb 0.31 -1.46 0.69 0.00 0.00 0.00 0.00 19.45 18.99 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 0.00 0.84 -1.42 0.00 -0.00 -0.90 -3.27 117.51 112.76 1qwv h ILE 52 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 64.86 64.41 1qwv h ILE 52 Cb 0.11 0.90 -0.31 0.00 -0.00 0.00 0.00 36.82 37.51 1qwv h ILE 52 CO 0.00 0.00 -0.91 -3.20 -0.00 0.00 0.00 178.15 174.04 1qwv n ASN 53 N -4.38 -0.84 -0.11 2.19 2.85 -1.05 -4.79 115.26 109.12 1qwv n ASN 53 Ca 0.02 -2.86 -0.20 0.00 -0.11 0.00 0.00 54.58 51.43 1qwv n ASN 53 Cb 0.28 0.14 -0.12 0.00 1.24 0.00 0.00 39.78 41.32 1qwv n ASN 53 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qwv h LEU 55 N -0.17 -0.55 0.00 0.00 7.12 -1.91 0.43 115.31 120.23 1qwv h LEU 55 Ca -0.57 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.48 1qwv h LEU 55 Cb 1.86 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 42.17 1qwv h LEU 55 CO -0.12 -0.28 -0.23 0.00 -0.13 0.00 0.00 178.44 177.68 1qwv h ALA 56 N -1.47 0.86 0.20 1.25 0.00 -1.92 -1.78 119.26 116.40 1qwv h ALA 56 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.53 1qwv h ALA 56 Cb 0.37 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.17 1qwv h ALA 56 CO -0.00 0.00 -1.68 1.15 0.00 0.00 0.00 179.25 178.71 1qwv h THR 57 N 0.00 1.03 -0.00 0.00 2.02 -1.70 -3.32 112.91 110.93 1qwv h THR 57 Ca 0.00 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.60 1qwv h THR 57 Cb 0.82 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 1qwv h THR 57 CO 0.00 0.85 -0.02 0.29 0.37 0.00 0.00 175.52 177.01 1qwv n LYS 58 N -3.61 0.83 0.09 6.66 4.76 0.15 -3.38 118.16 123.66 1qwv n LYS 58 Ca -0.22 -0.12 -0.04 0.00 -2.87 0.00 0.00 58.31 55.06 1qwv n LYS 58 Cb 1.08 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.76 1qwv n LYS 58 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1qwv h LEU 59 N 0.28 -0.20 -6.00 -0.35 3.38 -1.42 -3.48 115.31 107.52 1qwv h LEU 59 Ca 0.00 0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.25 1qwv h LEU 59 Cb 0.19 0.05 -0.19 0.00 0.09 0.00 0.00 40.66 40.81 1qwv h LEU 59 CO 0.00 -0.12 0.11 -0.62 0.09 0.00 0.00 178.44 177.90 1qwv s ASP 60 N -2.75 -0.09 -0.36 -0.43 2.15 -1.22 -5.08 116.67 108.90 1qwv s ASP 60 Ca -0.04 0.02 0.14 0.00 0.43 0.00 0.00 52.55 53.10 1qwv s ASP 60 Cb 0.00 1.06 0.43 0.00 -0.30 0.00 0.00 42.92 44.11 1qwv s ASP 60 CO 0.11 -0.02 1.13 1.33 -0.17 0.00 0.00 175.17 177.55 1qwv n VAL 61 N 5.09 0.53 -3.59 1.11 0.24 -1.24 -4.99 118.33 115.47 1qwv n VAL 61 Ca 0.08 -2.37 -0.38 0.00 -2.04 0.00 0.00 64.34 59.63 1qwv n VAL 61 Cb 0.58 0.81 -0.11 0.00 -1.47 0.00 0.00 33.84 33.66 1qwv n VAL 61 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1qwv s VAL 62 N -1.62 5.31 -0.07 3.34 -7.23 -1.26 -3.40 120.40 115.47 1qwv s VAL 62 Ca 0.25 0.18 -0.13 0.00 -1.81 0.00 0.00 61.98 60.47 1qwv s VAL 62 Cb 0.43 -3.53 -0.09 0.00 0.56 0.00 0.00 36.38 33.75 1qwv s VAL 62 CO -0.02 0.26 0.52 -0.78 -0.31 0.00 0.00 175.10 174.77 1qwv h ASP 63 N 8.27 -0.22 0.00 4.85 3.58 -1.86 -3.46 116.42 127.58 1qwv h ASP 63 Ca -0.35 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 56.93 1qwv h ASP 63 Cb 1.19 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1qwv h ASP 63 CO 0.56 0.31 0.00 -0.81 -2.88 0.00 0.00 179.24 176.43 1qwv n PRO 64 N -4.93 3.02 0.00 0.28 -0.05 -1.26 -4.89 135.00 127.16 1qwv n PRO 64 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.40 1qwv n PRO 64 Cb 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.63 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 0.06 0.00 3.54 9.92 -1.26 -4.81 116.55 124.00 1qwv n ASP 65 Ca 0.00 -1.26 0.00 0.00 -0.53 0.00 0.00 54.79 53.00 1qwv n ASP 65 Cb 0.00 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.45 1qwv n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qwv n GLY 66 N 0.14 2.19 3.81 0.44 0.00 -1.26 -5.09 105.19 105.42 1qwv n GLY 66 Ca 0.00 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.01 5.93 -0.90 1.61 4.22 -1.26 -4.13 114.94 120.40 1qwv s ASN 67 Ca 0.00 1.79 -0.02 0.00 -2.14 0.00 0.00 52.86 52.49 1qwv s ASN 67 Cb 0.00 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 40.00 1qwv s ASN 67 CO 0.00 -1.06 0.25 0.18 -2.04 0.00 0.00 177.10 174.42 1qwv n LEU 68 N -1.92 -2.00 -3.72 3.54 7.99 -1.26 -4.58 117.00 115.05 1qwv n LEU 68 Ca 0.08 -0.12 -0.42 0.00 -0.01 0.00 0.00 56.01 55.55 1qwv n LEU 68 Cb 0.53 -1.87 -0.00 0.00 -0.11 0.00 0.00 43.42 41.97 1qwv n LEU 68 CO 0.47 0.06 2.68 0.00 -1.51 0.00 0.00 177.39 179.09 1qwv n HIS 69 N -3.96 3.47 0.03 -1.77 1.44 -1.26 -4.55 115.22 108.62 1qwv n HIS 69 Ca -0.08 -2.94 -0.13 0.00 -2.01 0.00 0.00 57.72 52.56 1qwv n HIS 69 Cb 0.58 -2.53 -0.14 0.00 0.12 0.00 0.00 29.99 28.02 1qwv n HIS 69 CO 0.00 0.00 0.00 1.12 -2.81 0.00 0.00 176.34 174.65 1qwv h HIS 70 N 6.05 0.23 0.57 -1.40 2.07 -1.91 -3.30 115.15 117.46 1qwv h HIS 70 Ca 0.57 -0.17 -0.03 0.00 -2.85 0.00 0.00 60.37 57.89 1qwv h HIS 70 Cb 0.64 -0.01 0.01 0.00 2.57 0.00 0.00 27.41 30.61 1qwv h HIS 70 CO 1.46 1.22 -0.27 0.78 -3.07 0.00 0.00 177.93 178.05 1qwv h GLY 71 N 2.44 -0.80 1.47 6.13 0.00 -1.92 -1.71 103.07 108.68 1qwv h GLY 71 Ca -0.22 0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.47 1qwv h GLY 71 CO 0.13 -0.29 0.20 -0.57 0.00 0.00 0.00 176.54 176.01 1qwv h ASN 72 N -0.92 0.05 0.16 0.19 -0.73 -1.79 0.89 115.58 113.44 1qwv h ASN 72 Ca -0.08 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.89 1qwv h ASN 72 Cb 0.59 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.17 1qwv h ASN 72 CO 0.13 0.03 -0.77 0.00 -0.37 0.00 0.00 177.43 176.45 1qwv h ALA 73 N 1.85 0.50 0.13 1.57 0.00 -1.55 0.10 119.26 121.85 1qwv h ALA 73 Ca 0.13 -0.62 -0.28 0.00 0.00 0.00 0.00 54.91 54.15 1qwv h ALA 73 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1qwv h ALA 73 CO -0.01 0.75 -1.27 0.87 0.00 0.00 0.00 179.25 179.59 1qwv h LYS 74 N 0.34 0.27 -0.77 0.00 1.79 -0.36 -2.60 116.57 115.24 1qwv h LYS 74 Ca -0.04 -0.46 -0.03 0.00 -2.18 0.00 0.00 60.65 57.94 1qwv h LYS 74 Cb 1.36 0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 32.15 1qwv h LYS 74 CO 0.14 1.21 0.37 0.22 -1.08 0.00 0.00 179.45 180.31 1qwv h ASP 75 N 0.07 0.99 -0.73 0.86 1.82 -0.88 -1.15 116.42 117.41 1qwv h ASP 75 Ca -0.14 -0.11 0.07 0.00 -0.39 0.00 0.00 57.03 56.46 1qwv h ASP 75 Cb 1.98 -0.25 -0.06 0.00 0.68 0.00 0.00 39.33 41.67 1qwv h ASP 75 CO 0.20 0.84 0.41 0.15 -1.61 0.00 0.00 179.24 179.23 1qwv h PHE 76 N 1.09 0.74 -0.14 0.28 3.57 -0.84 0.21 116.94 121.86 1qwv h PHE 76 Ca 0.27 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.66 1qwv h PHE 76 Cb 0.11 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1qwv h PHE 76 CO 0.01 0.33 -0.50 0.00 -2.23 0.00 0.00 178.31 175.92 1qwv h ALA 77 N 1.39 0.88 -0.04 2.41 0.00 -1.02 0.48 119.26 123.37 1qwv h ALA 77 Ca 0.34 -0.48 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 1qwv h ALA 77 Cb 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1qwv h ALA 77 CO -0.21 0.67 -0.82 0.52 0.00 0.00 0.00 179.25 179.41 1qwv h MET 78 N 0.29 0.37 0.00 0.00 2.86 -0.48 -1.37 114.93 116.60 1qwv h MET 78 Ca 0.01 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1qwv h MET 78 Cb 0.99 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1qwv h MET 78 CO 0.09 1.01 -0.58 1.63 1.06 0.00 0.00 176.91 180.11 1qwv n LYS 79 N -3.78 0.01 -3.44 1.72 4.76 0.67 -4.56 118.16 113.54 1qwv n LYS 79 Ca -0.05 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.16 1qwv n LYS 79 Cb 0.76 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.34 1qwv n LYS 79 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1qwv s HIS 80 N -3.01 0.14 0.00 2.13 3.76 0.15 -4.99 115.29 113.48 1qwv s HIS 80 Ca 0.10 -0.99 0.00 0.00 -0.15 0.00 0.00 55.06 54.02 1qwv s HIS 80 Cb 0.17 -0.69 0.00 0.00 1.11 0.00 0.00 32.58 33.18 1qwv s HIS 80 CO 0.72 -0.89 0.00 0.41 -0.85 0.00 0.00 174.74 174.14 1qwv n GLY 81 N 4.57 2.07 3.92 -2.22 0.00 -1.22 -4.36 105.19 107.94 1qwv n GLY 81 Ca 0.06 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.86 3.92 0.63 4.61 0.00 -0.52 -4.58 121.76 124.96 1qwv s ALA 82 Ca 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.16 1qwv s ALA 82 Cb 0.00 -1.92 0.07 0.00 0.00 0.00 0.00 23.12 21.27 1qwv s ALA 82 CO 0.00 0.69 0.89 0.16 0.00 0.00 0.00 175.76 177.49 1qwv s ASP 83 N -2.70 4.87 0.31 0.00 -4.77 -1.26 -4.25 116.67 108.87 1qwv s ASP 83 Ca 0.37 -0.09 0.01 0.00 -3.30 0.00 0.00 52.55 49.54 1qwv s ASP 83 Cb -0.12 -0.57 0.55 0.00 -1.09 0.00 0.00 42.92 41.69 1qwv s ASP 83 CO 0.27 -1.47 1.93 -0.33 0.70 0.00 0.00 175.17 176.28 1qwv h GLU 84 N -0.24 0.97 -0.51 2.11 5.08 -1.97 -0.94 114.58 119.09 1qwv h GLU 84 Ca -0.40 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 1qwv h GLU 84 Cb 1.29 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1qwv h GLU 84 CO 0.48 0.64 0.19 0.00 -1.00 0.00 0.00 179.01 179.33 1qwv h THR 85 N 1.00 1.19 0.20 1.13 1.03 -1.97 0.47 112.91 115.95 1qwv h THR 85 Ca 0.35 -0.61 -0.34 0.00 -0.01 0.00 0.00 66.41 65.81 1qwv h THR 85 Cb 0.13 0.60 0.02 0.00 -1.07 0.00 0.00 68.15 67.83 1qwv h THR 85 CO -0.12 0.24 -1.60 0.24 -0.01 0.00 0.00 175.52 174.27 1qwv h MET 86 N 0.73 0.42 -0.47 0.00 2.86 -1.68 -1.98 114.93 114.82 1qwv h MET 86 Ca 0.17 -0.73 0.01 0.00 -2.06 0.00 0.00 59.70 57.10 1qwv h MET 86 Cb 0.16 0.27 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1qwv h MET 86 CO -0.02 1.33 0.31 0.00 1.06 0.00 0.00 176.91 179.60 1qwv h ALA 87 N 0.20 1.71 0.00 6.32 0.00 -0.91 -1.27 119.26 125.31 1qwv h ALA 87 Ca -0.29 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1qwv h ALA 87 Cb 2.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1qwv h ALA 87 CO 0.21 0.26 -0.29 1.96 0.00 0.00 0.00 179.25 181.39 1qwv h GLN 88 N 0.59 0.00 0.00 0.00 7.50 0.07 0.22 115.11 123.50 1qwv h GLN 88 Ca 0.18 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.23 1qwv h GLN 88 Cb -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.50 1qwv h GLN 88 CO -0.04 0.29 -0.45 1.96 -1.50 0.00 0.00 178.83 179.10 1qwv h GLN 89 N 0.00 0.00 0.07 1.46 1.08 -0.48 -3.11 115.11 114.13 1qwv h GLN 89 Ca -0.00 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 1qwv h GLN 89 Cb 1.05 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.47 1qwv h GLN 89 CO 0.04 0.45 -1.09 -0.07 -0.95 0.00 0.00 178.83 177.21 1qwv h LEU 90 N 0.00 0.23 -1.77 1.46 4.07 -0.77 -3.33 115.31 115.20 1qwv h LEU 90 Ca -0.00 -0.81 0.04 0.00 0.08 0.00 0.00 57.88 57.19 1qwv h LEU 90 Cb 1.24 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.88 1qwv h LEU 90 CO 0.06 1.47 0.23 -0.37 -1.08 0.00 0.00 178.44 178.74 1qwv h VAL 91 N -0.59 0.99 -0.26 1.22 -1.51 -0.68 -0.04 116.25 115.38 1qwv h VAL 91 Ca -0.25 -0.10 -0.08 0.00 -1.23 0.00 0.00 66.70 65.04 1qwv h VAL 91 Cb 1.52 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 1qwv h VAL 91 CO -0.00 0.05 -0.13 -0.78 -1.23 0.00 0.00 177.57 175.48 1qwv h ASP 92 N 0.30 0.57 -0.36 4.19 3.58 -1.68 -1.04 116.42 121.97 1qwv h ASP 92 Ca 0.14 -0.41 -0.11 0.00 0.42 0.00 0.00 57.03 57.07 1qwv h ASP 92 Cb 0.20 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1qwv h ASP 92 CO -0.03 0.86 -0.22 0.40 -2.88 0.00 0.00 179.24 177.36 1qwv h ILE 93 N 0.29 1.28 -0.21 2.25 5.03 -1.53 -0.79 117.51 123.83 1qwv h ILE 93 Ca 0.06 -1.36 0.03 0.00 -0.12 0.00 0.00 64.86 63.47 1qwv h ILE 93 Cb 0.64 1.37 -0.03 0.00 -3.03 0.00 0.00 36.82 35.77 1qwv h ILE 93 CO 0.04 0.45 0.01 0.40 -0.68 0.00 0.00 178.15 178.37 1qwv h ILE 94 N 0.58 0.87 -0.14 -0.67 2.04 -0.87 0.44 117.51 119.76 1qwv h ILE 94 Ca 0.08 -0.03 -0.18 0.00 1.00 0.00 0.00 64.86 65.73 1qwv h ILE 94 Cb 0.78 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1qwv h ILE 94 CO 0.06 0.02 -0.66 0.45 0.00 0.00 0.00 178.15 178.02 1qwv h HIS 95 N 0.09 0.70 0.08 1.37 3.86 -1.17 -2.36 115.15 117.72 1qwv h HIS 95 Ca 0.10 -0.28 -0.20 0.00 -1.16 0.00 0.00 60.37 58.82 1qwv h HIS 95 Cb 0.12 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1qwv h HIS 95 CO -0.17 1.04 -1.03 0.78 0.86 0.00 0.00 177.93 179.41 1qwv h GLY 96 N 1.07 0.20 1.16 2.45 0.00 -0.79 -2.46 103.07 104.69 1qwv h GLY 96 Ca -0.02 -0.51 -0.18 0.00 0.00 0.00 0.00 47.33 46.63 1qwv h GLY 96 CO 0.12 0.44 -0.49 0.00 0.00 0.00 0.00 176.54 176.61 1qwv h GLU 98 N 0.70 0.99 -0.29 0.00 4.22 -1.52 0.28 114.58 118.97 1qwv h GLU 98 Ca 0.03 -0.18 -0.11 0.00 0.08 0.00 0.00 59.36 59.17 1qwv h GLU 98 Cb 1.09 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1qwv h GLU 98 CO 0.11 0.83 -0.29 -0.22 -2.18 0.00 0.00 179.01 177.26 1qwv h LYS 99 N 0.96 0.61 -0.49 1.92 1.63 -1.20 -2.88 116.57 117.12 1qwv h LYS 99 Ca 0.22 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1qwv h LYS 99 Cb 0.24 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1qwv h LYS 99 CO -0.01 0.84 0.00 0.43 -3.45 0.00 0.00 179.45 177.25 1qwv n SER 100 N -4.09 3.15 -4.77 4.20 7.64 0.01 -4.96 113.62 114.81 1qwv n SER 100 Ca -0.01 -1.96 -0.38 0.00 1.01 0.00 0.00 58.87 57.53 1qwv n SER 100 Cb 0.45 -0.33 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.35 3.14 0.53 -0.43 0.00 0.96 -5.00 121.76 119.62 1qwv s ALA 101 Ca 0.39 0.83 -0.22 0.00 0.00 0.00 0.00 51.96 52.96 1qwv s ALA 101 Cb 0.21 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 1qwv s ALA 101 CO 0.29 -0.34 1.35 -2.14 0.00 0.00 0.00 175.76 174.92 1qwv s PRO 102 N -2.30 3.21 -0.79 0.00 0.02 -1.26 -4.80 135.00 129.07 1qwv s PRO 102 Ca 0.56 2.22 -0.24 0.00 0.02 0.00 0.00 61.00 63.57 1qwv s PRO 102 Cb -0.27 -2.29 -0.16 0.00 0.02 0.00 0.00 34.50 31.80 1qwv s PRO 102 CO 0.33 -1.13 2.39 -2.30 -0.33 0.00 0.00 177.00 175.96 1qwv n PRO 103 N -0.94 0.52 -3.83 5.54 -0.02 -1.26 -4.85 135.00 130.17 1qwv n PRO 103 Ca 0.10 -0.65 -0.30 0.00 -2.02 0.00 0.00 63.50 60.63 1qwv n PRO 103 Cb 0.45 -3.30 -0.14 0.00 -0.02 0.00 0.00 33.50 30.49 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 9.62 4.08 -1.54 2.55 3.84 -1.26 -5.02 114.94 127.21 1qwv s ASN 104 Ca 0.99 -2.47 -0.11 0.00 0.21 0.00 0.00 52.86 51.49 1qwv s ASN 104 Cb -0.25 -1.26 -0.02 0.00 -0.55 0.00 0.00 41.25 39.17 1qwv s ASN 104 CO 0.17 -0.30 2.65 -0.67 -2.79 0.00 0.00 177.10 176.15 1qwv n ASP 105 N 3.79 7.09 -3.99 -4.21 2.03 -1.26 -4.54 116.55 115.46 1qwv n ASP 105 Ca 0.05 -2.72 -0.31 0.00 0.52 0.00 0.00 54.79 52.33 1qwv n ASP 105 Cb 0.36 -1.57 -0.16 0.00 -0.72 0.00 0.00 41.12 39.04 1qwv n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1qwv s ASP 106 N 2.26 3.70 0.15 1.67 -1.08 -1.26 -5.04 116.67 117.08 1qwv s ASP 106 Ca 0.60 -1.06 -0.14 0.00 -0.52 0.00 0.00 52.55 51.44 1qwv s ASP 106 Cb 0.16 -1.26 0.14 0.00 -1.46 0.00 0.00 42.92 40.50 1qwv s ASP 106 CO -0.07 -0.18 1.09 0.29 0.52 0.00 0.00 175.17 176.82 1qwv n LYS 107 N 4.64 -0.19 -0.00 4.34 4.01 -1.26 -1.79 118.16 127.92 1qwv n LYS 107 Ca -0.14 1.08 -0.09 0.00 -0.51 0.00 0.00 58.31 58.65 1qwv n LYS 107 Cb 0.45 -1.60 -0.14 0.00 -0.51 0.00 0.00 35.03 33.23 1qwv n LYS 107 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qwv h MET 109 N 0.00 0.70 -0.26 0.00 2.86 -1.70 -2.99 114.93 113.56 1qwv h MET 109 Ca -0.24 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.24 1qwv h MET 109 Cb 1.97 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 33.52 1qwv h MET 109 CO 0.09 0.74 0.08 1.57 1.06 0.00 0.00 176.91 180.46 1qwv h LYS 110 N 0.65 0.19 0.00 1.72 2.10 -1.58 0.26 116.57 119.92 1qwv h LYS 110 Ca 0.13 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1qwv h LYS 110 Cb 0.46 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1qwv h LYS 110 CO 0.02 0.13 0.07 -2.37 -2.00 0.00 0.00 179.45 175.30 1qwv n THR 111 N -5.04 1.63 -0.00 0.07 5.66 -1.13 -1.46 114.28 114.00 1qwv n THR 111 Ca -0.01 0.53 -0.22 0.00 -3.05 0.00 0.00 64.05 61.30 1qwv n THR 111 Cb 0.09 -1.53 -0.14 0.00 -1.55 0.00 0.00 70.33 67.20 1qwv n THR 111 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1qwv h ILE 112 N 0.00 0.69 -0.57 1.09 5.03 -0.49 -2.05 117.51 121.21 1qwv h ILE 112 Ca 0.00 -2.33 0.01 0.00 -0.12 0.00 0.00 64.86 62.42 1qwv h ILE 112 Cb 0.14 2.49 -0.03 0.00 -3.03 0.00 0.00 36.82 36.39 1qwv h ILE 112 CO 0.00 0.82 0.38 0.44 -0.68 0.00 0.00 178.15 179.11 1qwv h ASP 113 N -0.07 0.63 0.57 1.72 5.19 -0.79 -0.73 116.42 122.93 1qwv h ASP 113 Ca -0.41 -0.01 -0.29 0.00 -0.62 0.00 0.00 57.03 55.70 1qwv h ASP 113 Cb 1.94 -0.15 0.01 0.00 0.18 0.00 0.00 39.33 41.30 1qwv h ASP 113 CO 0.06 0.45 -1.31 -0.37 -3.12 0.00 0.00 179.24 174.94 1qwv h VAL 114 N 0.74 1.42 0.16 -1.35 -1.51 -1.48 -2.38 116.25 111.84 1qwv h VAL 114 Ca 0.21 -2.99 -0.01 0.00 -1.23 0.00 0.00 66.70 62.69 1qwv h VAL 114 Cb -0.04 2.92 0.00 0.00 -2.13 0.00 0.00 31.29 32.05 1qwv h VAL 114 CO -0.05 0.87 -0.08 0.00 -1.23 0.00 0.00 177.57 177.09 1qwv h ALA 115 N 0.53 -0.21 0.00 5.19 0.00 -0.93 -0.09 119.26 123.75 1qwv h ALA 115 Ca -0.16 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1qwv h ALA 115 Cb 2.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 1qwv h ALA 115 CO 0.20 -0.61 -0.23 0.00 0.00 0.00 0.00 179.25 178.61 1qwv h MET 116 N -0.23 0.00 0.00 0.00 -0.00 -1.26 -1.06 114.93 112.38 1qwv h MET 116 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.62 1qwv h MET 116 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.77 1qwv h MET 116 CO 0.04 0.23 -0.30 0.00 -0.00 0.00 0.00 176.91 176.88 1qwv h PHE 118 N 0.00 0.61 0.00 0.00 3.57 0.31 -1.63 116.94 119.80 1qwv h PHE 118 Ca -0.00 -0.29 -0.11 0.00 3.53 0.00 0.00 57.97 61.10 1qwv h PHE 118 Cb 0.66 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1qwv h PHE 118 CO 0.00 1.08 -0.51 1.57 -2.23 0.00 0.00 178.31 178.22 1qwv h LYS 119 N -0.03 0.00 0.25 1.11 2.10 -1.27 0.62 116.57 119.35 1qwv h LYS 119 Ca -0.05 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.61 1qwv h LYS 119 Cb 1.17 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.48 1qwv h LYS 119 CO 0.10 0.51 -0.34 -0.22 -2.00 0.00 0.00 179.45 177.50 1qwv h LYS 120 N 0.00 -0.63 -0.68 0.07 1.63 -1.11 0.90 116.57 116.75 1qwv h LYS 120 Ca -0.01 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1qwv h LYS 120 Cb 0.92 0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.66 1qwv h LYS 120 CO 0.07 -0.42 0.35 0.93 -3.45 0.00 0.00 179.45 176.93 1qwv h GLU 121 N -0.65 0.97 -0.55 1.90 4.39 -0.93 -1.77 114.58 117.93 1qwv h GLU 121 Ca -0.00 -0.13 0.08 0.00 0.34 0.00 0.00 59.36 59.65 1qwv h GLU 121 Cb 0.62 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1qwv h GLU 121 CO -0.12 0.74 0.37 0.97 -1.16 0.00 0.00 179.01 179.82 1qwv h ILE 122 N 0.94 0.94 -0.06 3.13 -0.00 0.41 0.13 117.51 123.00 1qwv h ILE 122 Ca 0.24 -0.15 -0.14 0.00 -0.00 0.00 0.00 64.86 64.81 1qwv h ILE 122 Cb 0.08 0.47 -0.01 0.00 -0.00 0.00 0.00 36.82 37.35 1qwv h ILE 122 CO -0.03 0.08 -0.58 0.45 -0.00 0.00 0.00 178.15 178.06 1qwv h HIS 123 N 0.43 0.25 -0.27 2.19 3.86 -0.28 -2.38 115.15 118.94 1qwv h HIS 123 Ca 0.25 -0.09 -0.12 0.00 -1.16 0.00 0.00 60.37 59.25 1qwv h HIS 123 Cb 0.42 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1qwv h HIS 123 CO -0.00 0.73 -0.33 -0.22 0.86 0.00 0.00 177.93 178.97 1qwv h LYS 124 N 0.15 0.58 0.00 2.45 3.64 -0.18 -0.89 116.57 122.32 1qwv h LYS 124 Ca -0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1qwv h LYS 124 Cb 1.06 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1qwv h LYS 124 CO 0.09 0.83 0.00 1.28 -2.27 0.00 0.00 179.45 179.38 1qwv n LEU 125 N -4.07 0.00 -1.10 5.20 4.77 0.26 -5.02 117.00 117.05 1qwv n LEU 125 Ca -0.01 0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.14 1qwv n LEU 125 Cb 0.47 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1qwv n LEU 125 CO 0.44 -0.00 -0.24 0.59 -1.33 0.00 0.00 177.39 176.84 1qwv n ASN 126 N -1.02 -6.53 -4.35 -1.43 5.03 -0.34 -4.86 115.26 101.76 1qwv n ASN 126 Ca 0.19 0.54 -0.35 0.00 0.87 0.00 0.00 54.58 55.83 1qwv n ASN 126 Cb 0.10 -3.38 -0.14 0.00 -1.02 0.00 0.00 39.78 35.35 1qwv n ASN 126 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 1qwv s TRP 127 N -2.23 2.99 -0.33 3.10 -2.14 -1.26 -4.64 118.94 114.43 1qwv s TRP 127 Ca 0.00 -0.79 -0.17 0.00 2.66 0.00 0.00 56.10 57.80 1qwv s TRP 127 Cb 0.00 -2.13 -0.01 0.00 -3.10 0.00 0.00 33.47 28.23 1qwv s TRP 127 CO 0.00 -0.48 0.47 0.08 -2.66 0.00 0.00 176.95 174.35 1qwv s VAL 128 N 1.47 5.07 0.31 -0.66 1.01 -1.26 -5.05 120.40 121.29 1qwv s VAL 128 Ca 0.05 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 1qwv s VAL 128 Cb -0.14 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 1qwv s VAL 128 CO -0.01 -0.11 1.44 -2.16 0.00 0.00 0.00 175.10 174.26 1qwv s PRO 129 N 2.28 4.22 0.04 2.72 0.04 -1.26 -5.00 135.00 138.04 1qwv s PRO 129 Ca 0.17 2.40 -0.21 0.00 0.04 0.00 0.00 61.00 63.40 1qwv s PRO 129 Cb -0.16 -3.05 -0.06 0.00 0.04 0.00 0.00 34.50 31.27 1qwv s PRO 129 CO 0.12 -0.43 0.62 1.21 0.04 0.00 0.00 177.00 178.57 1qwv s ASN 130 N 0.04 7.07 0.13 6.66 2.47 -1.26 -4.98 114.94 125.07 1qwv s ASN 130 Ca 0.56 1.27 -0.13 0.00 0.42 0.00 0.00 52.86 54.97 1qwv s ASN 130 Cb -0.43 -2.39 -0.03 0.00 -1.45 0.00 0.00 41.25 36.95 1qwv s ASN 130 CO 0.52 0.15 1.52 0.24 -3.72 0.00 0.00 177.10 175.81 1qwv h MET 131 N 5.20 0.82 0.00 0.43 2.86 -1.98 -3.49 114.93 118.77 1qwv h MET 131 Ca -0.46 -0.34 0.29 0.00 -2.06 0.00 0.00 59.70 57.12 1qwv h MET 131 Cb 1.21 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.76 1qwv h MET 131 CO 0.68 0.97 -0.38 -0.25 1.06 0.00 0.00 176.91 178.99 1qwv n ASP 132 N -4.26 -7.10 0.00 1.22 9.92 -1.26 -5.05 116.55 110.01 1qwv n ASP 132 Ca -0.01 1.13 0.00 0.00 -0.53 0.00 0.00 54.79 55.38 1qwv n ASP 132 Cb 0.41 -3.18 0.00 0.00 -0.64 0.00 0.00 41.12 37.70 1qwv n ASP 132 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1qwv n LEU 133 N 0.00 0.00 -4.54 0.64 -0.00 -1.26 -5.09 117.00 106.76 1qwv n LEU 133 Ca 0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.63 1qwv n LEU 133 Cb 0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.85 1qwv n LEU 133 CO 0.01 0.00 2.03 0.55 -0.00 0.00 0.00 177.39 179.97 1qwv n VAL 134 N -0.07 -0.01 0.69 1.96 3.14 -1.26 -4.77 118.33 118.01 1qwv n VAL 134 Ca 0.00 -0.60 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 1qwv n VAL 134 Cb 0.00 -2.34 0.00 0.00 -1.06 0.00 0.00 33.84 30.44 1qwv n VAL 134 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1qwv n ILE 135 N 7.84 0.00 -0.35 1.55 -0.00 -1.26 -4.75 119.36 122.39 1qwv n ILE 135 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.16 1qwv n ILE 135 Cb 0.43 -0.28 0.00 0.00 -0.00 0.00 0.00 39.64 39.80 1qwv n ILE 135 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1qwv n GLY 136 N 0.19 -0.84 3.73 3.28 0.00 -1.26 -5.02 105.19 105.27 1qwv n GLY 136 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.01 4.24 -0.34 1.61 2.12 -1.26 -4.83 118.70 120.23 1qwv s GLU 137 Ca 0.00 2.34 -0.43 0.00 0.36 0.00 0.00 54.97 57.25 1qwv s GLU 137 Cb 0.00 -3.12 -0.17 0.00 0.26 0.00 0.00 34.13 31.10 1qwv s GLU 137 CO 0.00 -0.51 1.66 0.28 -0.54 0.00 0.00 175.26 176.16 1qwv n VAL 138 N 2.95 0.18 -2.69 3.70 0.31 -1.26 -4.89 118.33 116.63 1qwv n VAL 138 Ca 0.10 -0.03 -0.40 0.00 -0.01 0.00 0.00 64.34 63.99 1qwv n VAL 138 Cb 0.39 -0.91 -0.05 0.00 -0.91 0.00 0.00 33.84 32.36 1qwv n VAL 138 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1qwv s LEU 139 N 3.17 4.61 -0.12 7.52 1.43 -1.26 -5.05 118.68 128.98 1qwv s LEU 139 Ca 1.00 1.99 -0.11 0.00 -1.03 0.00 0.00 54.13 55.99 1qwv s LEU 139 Cb -1.23 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 41.41 1qwv s LEU 139 CO 0.71 0.07 0.31 0.00 0.23 0.00 0.00 176.35 177.67 1qwv s ALA 140 N -1.00 -0.77 -0.12 4.21 0.00 -1.26 -5.04 121.76 117.78 1qwv s ALA 140 Ca 0.43 0.87 -0.23 0.00 0.00 0.00 0.00 51.96 53.02 1qwv s ALA 140 Cb -0.27 -0.51 -0.27 0.00 0.00 0.00 0.00 23.12 22.08 1qwv s ALA 140 CO 0.33 -0.15 0.68 0.93 0.00 0.00 0.00 175.76 177.56 1qwv h GLU 141 N 5.64 0.13 0.00 0.00 3.07 -2.05 -3.56 114.58 117.81 1qwv h GLU 141 Ca -0.26 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 1qwv h GLU 141 Cb 1.19 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1qwv h GLU 141 CO 0.31 1.11 0.00 1.55 -1.40 0.00 0.00 179.01 180.58