#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 0.00 4.33 0.11 -1.97 -2.59 132.00 131.88 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 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1qwv h PRO 2 CO 0.00 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 175.88 1qwv n GLU 3 N -3.28 0.00 0.00 1.05 4.07 -1.26 -1.75 120.64 119.46 1qwv n GLU 3 Ca -0.03 0.69 0.13 0.00 -0.06 0.00 0.00 57.16 57.90 1qwv n GLU 3 Cb 0.09 -1.46 0.51 0.00 -0.06 0.00 0.00 31.44 30.51 1qwv n GLU 3 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 1qwv n ILE 4 N -2.32 0.00 0.21 6.31 3.06 -1.23 -3.32 119.36 122.07 1qwv n ILE 4 Ca 0.00 -0.00 0.05 0.00 -2.50 0.00 0.00 62.75 60.30 1qwv n ILE 4 Cb 0.00 -0.26 0.47 0.00 0.54 0.00 0.00 39.64 40.38 1qwv n ILE 4 CO 0.00 0.00 0.00 -0.03 -2.50 0.00 0.00 176.55 174.02 1qwv h MET 5 N 0.01 0.00 -5.96 9.51 4.05 -1.21 -3.36 114.93 117.97 1qwv h MET 5 Ca 0.00 0.00 -0.58 0.00 -0.28 0.00 0.00 59.70 58.84 1qwv h MET 5 Cb 0.50 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 31.19 1qwv h MET 5 CO 0.00 0.27 0.83 0.15 0.23 0.00 0.00 176.91 178.39 1qwv s LYS 6 N -4.26 3.16 0.33 0.39 -0.14 -0.72 -5.01 119.74 113.50 1qwv s LYS 6 Ca -0.03 -0.49 -0.29 0.00 -1.36 0.00 0.00 55.97 53.81 1qwv s LYS 6 Cb 0.14 -4.19 -0.11 0.00 -1.68 0.00 0.00 37.83 31.99 1qwv s LYS 6 CO 0.69 -1.98 1.50 -0.80 -0.76 0.00 0.00 175.35 173.99 1qwv s ASN 7 N 3.68 6.44 0.42 2.83 -0.87 -1.26 -4.83 114.94 121.35 1qwv s ASN 7 Ca 0.30 2.93 0.15 0.00 -1.57 0.00 0.00 52.86 54.67 1qwv s ASN 7 Cb -0.12 -2.65 1.03 0.00 -0.02 0.00 0.00 41.25 39.49 1qwv s ASN 7 CO 0.13 -0.83 1.91 -0.07 -2.57 0.00 0.00 177.10 175.68 1qwv h LEU 8 N 3.89 0.41 -0.81 0.60 3.38 -1.95 -0.14 115.31 120.71 1qwv h LEU 8 Ca -0.49 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1qwv h LEU 8 Cb 1.23 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1qwv h LEU 8 CO 0.71 0.21 0.40 0.77 0.09 0.00 0.00 178.44 180.62 1qwv h SER 9 N 0.44 1.04 0.82 -0.43 4.64 -1.90 0.29 113.55 118.46 1qwv h SER 9 Ca 0.38 -0.12 -0.18 0.00 -0.47 0.00 0.00 61.79 61.39 1qwv h SER 9 Cb 0.85 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1qwv h SER 9 CO -0.13 0.87 -0.87 0.78 -0.87 0.00 0.00 176.83 176.61 1qwv h ASN 10 N 1.14 0.04 0.32 4.97 2.35 -1.44 -0.04 115.58 122.91 1qwv h ASN 10 Ca 0.28 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1qwv h ASN 10 Cb 0.09 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1qwv h ASN 10 CO -0.04 0.89 -0.15 0.78 -1.65 0.00 0.00 177.43 177.26 1qwv h ASN 11 N 0.01 -0.37 0.00 5.81 2.35 -0.78 -3.36 115.58 119.25 1qwv h ASN 11 Ca -0.02 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1qwv h ASN 11 Cb 1.53 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.99 1qwv h ASN 11 CO 0.12 0.04 0.00 0.49 -1.65 0.00 0.00 177.43 176.43 1qwv n PHE 12 N -5.12 0.00 -3.44 1.19 3.72 0.05 -4.87 117.46 108.99 1qwv n PHE 12 Ca -0.09 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.06 1qwv n PHE 12 Cb 0.27 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 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 -0.44 -0.49 0.06 1.37 0.00 -0.03 -4.87 105.19 100.79 1qwv n GLY 13 Ca 0.00 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.21 0.04 -1.60 1.61 3.64 -1.89 -3.44 116.57 113.72 1qwv h LYS 14 Ca -0.47 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 58.78 1qwv h LYS 14 Cb 1.32 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.87 1qwv h LYS 14 CO 0.57 0.49 -0.46 0.00 -2.27 0.00 0.00 179.45 177.79 1qwv s ALA 15 N -4.34 -1.44 -0.12 5.00 0.00 -1.26 -5.00 121.76 114.60 1qwv s ALA 15 Ca -0.16 0.82 0.25 0.00 0.00 0.00 0.00 51.96 52.87 1qwv s ALA 15 Cb 0.02 -1.99 0.69 0.00 0.00 0.00 0.00 23.12 21.85 1qwv s ALA 15 CO 0.68 -1.51 1.73 1.98 0.00 0.00 0.00 175.76 178.64 1qwv h MET 16 N 8.13 0.00 0.00 0.00 4.05 -1.99 -3.21 114.93 121.91 1qwv h MET 16 Ca -0.14 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 1qwv h MET 16 Cb 1.15 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1qwv h MET 16 CO 0.26 0.14 -0.06 0.22 0.23 0.00 0.00 176.91 177.69 1qwv h ASP 17 N 0.00 0.00 1.10 1.39 3.58 -2.00 -1.85 116.42 118.65 1qwv h ASP 17 Ca -0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 1qwv h ASP 17 Cb 0.88 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.91 1qwv h ASP 17 CO 0.02 0.06 -0.95 0.06 -2.88 0.00 0.00 179.24 175.55 1qwv h GLN 18 N 0.00 0.00 -0.02 0.28 3.07 -1.99 -2.44 115.11 114.01 1qwv h GLN 18 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.53 1qwv h GLN 18 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.76 1qwv h GLN 18 CO 0.01 0.44 -0.88 0.00 0.09 0.00 0.00 178.83 178.49 1qwv h LYS 20 N 0.24 0.06 -0.23 0.00 3.11 -1.29 -1.28 116.57 117.18 1qwv h LYS 20 Ca -0.06 -0.01 -0.12 0.00 -2.81 0.00 0.00 60.65 57.64 1qwv h LYS 20 Cb 1.50 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.72 1qwv h LYS 20 CO 0.15 0.20 -0.33 0.22 -2.81 0.00 0.00 179.45 176.88 1qwv h ASP 21 N -0.09 0.69 -0.50 4.20 3.58 -1.53 -1.71 116.42 121.06 1qwv h ASP 21 Ca 0.01 -0.51 -0.01 0.00 0.42 0.00 0.00 57.03 56.94 1qwv h ASP 21 Cb 0.16 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1qwv h ASP 21 CO -0.00 1.07 0.26 -0.08 -2.88 0.00 0.00 179.24 177.61 1qwv h GLU 22 N 0.33 0.71 0.00 0.28 4.22 -1.30 -1.88 114.58 116.95 1qwv h GLU 22 Ca 0.02 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1qwv h GLU 22 Cb 0.91 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1qwv h GLU 22 CO 0.08 0.58 -0.13 1.28 -2.18 0.00 0.00 179.01 178.63 1qwv n LEU 23 N -4.63 0.63 -3.50 1.64 4.77 -0.49 -4.90 117.00 110.52 1qwv n LEU 23 Ca 0.02 0.47 -0.25 0.00 -0.03 0.00 0.00 56.01 56.22 1qwv n LEU 23 Cb 0.10 -0.33 0.05 0.00 -2.33 0.00 0.00 43.42 40.91 1qwv n LEU 23 CO 0.37 -0.11 0.13 -1.20 -1.33 0.00 0.00 177.39 175.25 1qwv n SER 24 N -2.05 -5.79 -4.69 -1.43 7.64 -0.71 -4.83 113.62 101.76 1qwv n SER 24 Ca 0.05 -0.51 -0.53 0.00 1.01 0.00 0.00 58.87 58.89 1qwv n SER 24 Cb 0.41 -4.61 -0.06 0.00 -1.01 0.00 0.00 64.21 58.94 1qwv n SER 24 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qwv n LEU 25 N -4.59 2.79 -4.77 -3.43 4.77 -0.72 -4.94 117.00 106.11 1qwv n LEU 25 Ca -0.02 1.04 -0.33 0.00 -0.03 0.00 0.00 56.01 56.67 1qwv n LEU 25 Cb 0.57 -1.24 0.05 0.00 -2.33 0.00 0.00 43.42 40.46 1qwv n LEU 25 CO 0.62 -0.31 0.75 -2.84 -1.33 0.00 0.00 177.39 174.28 1qwv s PRO 26 N 3.52 2.79 0.46 3.23 0.02 -1.26 -4.83 135.00 138.93 1qwv s PRO 26 Ca 0.95 1.45 0.20 0.00 0.02 0.00 0.00 61.00 63.62 1qwv s PRO 26 Cb -0.90 -1.94 1.12 0.00 0.02 0.00 0.00 34.50 32.79 1qwv s PRO 26 CO 0.58 -1.27 1.97 0.38 -0.33 0.00 0.00 177.00 178.34 1qwv h ASP 27 N 0.11 0.00 -0.68 2.53 2.03 -1.99 -0.64 116.42 117.78 1qwv h ASP 27 Ca -0.47 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 55.76 1qwv h ASP 27 Cb 1.25 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.72 1qwv h ASP 27 CO 0.54 0.21 0.16 -1.28 -1.03 0.00 0.00 179.24 177.84 1qwv h SER 28 N 0.00 1.03 0.00 4.15 0.87 -1.99 -1.95 113.55 115.66 1qwv h SER 28 Ca -0.00 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1qwv h SER 28 Cb 0.44 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1qwv h SER 28 CO 0.03 1.00 -0.00 0.58 -0.53 0.00 0.00 176.83 177.91 1qwv h VAL 29 N 1.02 1.50 -0.54 2.23 2.07 -1.54 -2.60 116.25 118.39 1qwv h VAL 29 Ca 0.21 -1.50 0.14 0.00 0.82 0.00 0.00 66.70 66.37 1qwv h VAL 29 Cb 0.38 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 1qwv h VAL 29 CO 0.00 0.39 0.38 -0.37 0.02 0.00 0.00 177.57 177.99 1qwv h VAL 30 N -0.65 0.76 0.12 2.57 -1.51 -1.24 0.58 116.25 116.89 1qwv h VAL 30 Ca -0.00 -0.03 -0.01 0.00 -1.23 0.00 0.00 66.70 65.44 1qwv h VAL 30 Cb 0.64 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1qwv h VAL 30 CO 0.00 0.01 -0.06 0.00 -1.23 0.00 0.00 177.57 176.30 1qwv h ALA 31 N 1.73 -0.17 -0.31 5.19 0.00 -1.17 0.19 119.26 124.72 1qwv h ALA 31 Ca 0.26 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 1qwv h ALA 31 Cb 0.92 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1qwv h ALA 31 CO -0.02 -0.49 -0.48 -0.44 0.00 0.00 0.00 179.25 177.82 1qwv h ASP 32 N -0.38 0.92 -0.19 0.00 3.32 -0.93 -3.21 116.42 115.96 1qwv h ASP 32 Ca -0.02 -0.46 0.05 0.00 0.02 0.00 0.00 57.03 56.62 1qwv h ASP 32 Cb 0.31 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 39.53 1qwv h ASP 32 CO 0.03 1.25 -0.29 0.25 -1.72 0.00 0.00 179.24 178.75 1qwv h LEU 33 N 0.67 -0.93 0.00 1.55 7.12 0.20 -2.22 115.31 121.70 1qwv h LEU 33 Ca 0.03 0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.19 1qwv h LEU 33 Cb 1.07 0.41 0.00 0.00 -0.53 0.00 0.00 40.66 41.61 1qwv h LEU 33 CO 0.11 -0.33 0.00 -1.22 -0.13 0.00 0.00 178.44 176.87 1qwv n TYR 34 N -5.40 0.00 -1.90 1.25 4.01 0.66 -4.72 117.16 111.05 1qwv n TYR 34 Ca -0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.32 1qwv n TYR 34 Cb 0.31 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 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 -1.80 5.35 0.28 7.72 2.47 -0.84 -4.80 114.94 123.33 1qwv s ASN 35 Ca 0.00 0.93 0.22 0.00 0.42 0.00 0.00 52.86 54.44 1qwv s ASN 35 Cb 0.00 -2.52 0.11 0.00 -1.45 0.00 0.00 41.25 37.39 1qwv s ASN 35 CO 0.00 -2.20 1.24 0.15 -3.72 0.00 0.00 177.10 172.57 1qwv h PHE 36 N 15.08 0.00 -3.25 0.43 3.57 -1.91 -3.46 116.94 127.40 1qwv h PHE 36 Ca -0.29 0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.63 1qwv h PHE 36 Cb 1.19 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.89 1qwv h PHE 36 CO 0.99 0.02 -0.08 -1.58 -2.23 0.00 0.00 178.31 175.43 1qwv s TRP 37 N -3.30 3.70 -1.52 0.41 0.51 -1.26 -4.97 118.94 112.52 1qwv s TRP 37 Ca 0.02 1.14 -0.12 0.00 -2.12 0.00 0.00 56.10 55.02 1qwv s TRP 37 Cb 0.08 -2.41 -0.00 0.00 -0.81 0.00 0.00 33.47 30.32 1qwv s TRP 37 CO 0.75 0.52 2.52 0.36 -0.51 0.00 0.00 176.95 180.59 1qwv n LYS 38 N 1.30 3.27 0.26 4.98 0.00 -1.26 -4.58 118.16 122.13 1qwv n LYS 38 Ca -0.08 -2.50 0.10 0.00 -0.00 0.00 0.00 58.31 55.83 1qwv n LYS 38 Cb 0.51 -3.06 0.69 0.00 -0.00 0.00 0.00 35.03 33.18 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 5.55 0.00 -5.00 -5.58 3.58 -1.94 -3.47 116.42 109.56 1qwv h ASP 39 Ca 0.69 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.14 1qwv h ASP 39 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1qwv h ASP 39 CO 1.83 0.09 -0.03 -0.67 -2.88 0.00 0.00 179.24 177.58 1qwv n ASP 40 N -4.06 -6.92 -4.96 2.28 -0.08 -1.26 -5.04 116.55 96.51 1qwv n ASP 40 Ca -0.03 -0.02 -0.22 0.00 -1.51 0.00 0.00 54.79 53.01 1qwv n ASP 40 Cb 0.17 -4.66 -0.00 0.00 2.34 0.00 0.00 41.12 38.98 1qwv n ASP 40 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1qwv s TYR 41 N -2.96 3.28 -0.22 -0.67 -0.85 -1.26 -5.07 117.35 109.61 1qwv s TYR 41 Ca 0.01 0.14 -0.22 0.00 -0.52 0.00 0.00 57.07 56.48 1qwv s TYR 41 Cb -0.00 -2.07 -0.02 0.00 0.38 0.00 0.00 41.96 40.24 1qwv s TYR 41 CO 0.64 -0.09 0.69 0.08 -1.52 0.00 0.00 175.55 175.34 1qwv s VAL 42 N -2.36 4.96 -0.57 -3.49 1.01 -1.26 -5.01 120.40 113.67 1qwv s VAL 42 Ca 0.44 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 63.44 1qwv s VAL 42 Cb -0.10 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1qwv s VAL 42 CO 0.35 0.04 1.41 -0.32 0.00 0.00 0.00 175.10 176.58 1qwv s MET 43 N 2.32 3.28 0.00 2.72 1.75 -1.26 -4.82 119.30 123.29 1qwv s MET 43 Ca 0.30 0.41 0.11 0.00 -1.25 0.00 0.00 55.69 55.27 1qwv s MET 43 Cb -0.16 -4.13 -0.01 0.00 2.84 0.00 0.00 34.83 33.38 1qwv s MET 43 CO 0.09 -1.96 0.67 0.25 -0.65 0.00 0.00 175.02 173.42 1qwv n THR 44 N 6.84 0.00 -3.57 10.11 -2.24 -1.26 -4.88 114.28 119.28 1qwv n THR 44 Ca 0.12 -0.38 -0.36 0.00 -2.27 0.00 0.00 64.05 61.15 1qwv n THR 44 Cb 0.49 1.13 -0.07 0.00 -2.10 0.00 0.00 70.33 69.78 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 -1.47 6.45 0.42 3.42 -1.08 -1.26 -4.97 116.67 118.18 1qwv s ASP 45 Ca 0.09 0.52 0.23 0.00 -0.52 0.00 0.00 52.55 52.87 1qwv s ASP 45 Cb 0.09 -2.18 0.78 0.00 -1.46 0.00 0.00 42.92 40.15 1qwv s ASP 45 CO 0.28 0.14 1.76 0.03 0.52 0.00 0.00 175.17 177.91 1qwv h ARG 46 N 6.42 0.00 0.00 4.34 -0.00 -1.94 -2.43 114.38 120.78 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 1.17 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.14 1qwv h ARG 46 CO 0.74 0.25 0.00 -0.07 0.00 0.00 0.00 179.97 180.89 1qwv h LEU 47 N 0.00 0.00 0.00 3.04 -0.00 -1.96 -2.69 115.31 113.70 1qwv h LEU 47 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 1qwv h LEU 47 Cb 0.85 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.50 1qwv h LEU 47 CO 0.03 0.00 -0.43 0.00 -0.00 0.00 0.00 178.44 178.05 1qwv h ALA 48 N 2.17 0.06 -0.97 1.53 0.00 -1.80 -1.94 119.26 118.30 1qwv h ALA 48 Ca 0.00 -0.52 0.23 0.00 0.00 0.00 0.00 54.91 54.62 1qwv h ALA 48 Cb 0.82 0.31 -0.18 0.00 0.00 0.00 0.00 17.79 18.74 1qwv h ALA 48 CO 0.00 0.30 -0.11 0.41 0.00 0.00 0.00 179.25 179.85 1qwv n GLY 49 N 1.62 -1.48 0.27 0.00 0.00 -1.15 -0.83 105.19 103.62 1qwv n GLY 49 Ca -0.11 1.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.83 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 1.05 1.14 0.00 0.00 0.00 -0.15 -2.39 119.26 118.91 1qwv h ALA 51 Ca 0.19 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1qwv h ALA 51 Cb 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1qwv h ALA 51 CO -0.00 0.09 -0.18 0.82 0.00 0.00 0.00 179.25 179.97 1qwv h ILE 52 N 0.00 1.11 -0.77 0.00 1.08 -1.05 -3.27 117.51 114.60 1qwv h ILE 52 Ca -0.00 -0.63 -0.35 0.00 -0.39 0.00 0.00 64.86 63.48 1qwv h ILE 52 Cb 0.34 1.34 -0.41 0.00 -3.07 0.00 0.00 36.82 35.03 1qwv h ILE 52 CO 0.01 0.18 -1.08 -0.46 -0.69 0.00 0.00 178.15 176.11 1qwv n ASN 53 N -4.28 2.21 -0.05 1.72 0.23 -0.91 -4.78 115.26 109.39 1qwv n ASN 53 Ca -0.02 -2.63 -0.16 0.00 -0.53 0.00 0.00 54.58 51.24 1qwv n ASN 53 Cb 0.25 -0.48 -0.14 0.00 -2.08 0.00 0.00 39.78 37.33 1qwv n ASN 53 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1qwv h LEU 55 N 0.03 -0.04 -0.02 0.00 4.07 -1.89 -1.06 115.31 116.40 1qwv h LEU 55 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1qwv h LEU 55 Cb 2.03 0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.78 1qwv h LEU 55 CO 0.03 -0.02 -0.08 0.00 -1.08 0.00 0.00 178.44 177.29 1qwv n ALA 56 N -2.20 2.56 0.10 1.53 0.00 -1.26 -2.31 120.51 118.93 1qwv n ALA 56 Ca -0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 1qwv n ALA 56 Cb 0.02 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 17.91 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 0.05 1.46 0.00 0.00 2.02 -1.71 -2.68 112.91 112.05 1qwv h THR 57 Ca 0.00 -3.03 -0.03 0.00 0.77 0.00 0.00 66.41 64.12 1qwv h THR 57 Cb 0.45 2.93 -0.00 0.00 -1.74 0.00 0.00 68.15 69.79 1qwv h THR 57 CO 0.00 0.88 -0.16 0.11 0.37 0.00 0.00 175.52 176.72 1qwv h LYS 58 N 0.08 0.00 0.32 6.66 1.79 -0.92 -3.33 116.57 121.17 1qwv h LYS 58 Ca -0.15 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.31 1qwv h LYS 58 Cb 1.98 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.64 1qwv h LYS 58 CO 0.20 0.16 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.51 1qwv h LEU 59 N 0.00 -0.36 -6.19 2.94 3.38 -1.42 -3.48 115.31 110.18 1qwv h LEU 59 Ca -0.00 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.22 1qwv h LEU 59 Cb 1.01 0.09 -0.26 0.00 0.09 0.00 0.00 40.66 41.59 1qwv h LEU 59 CO 0.02 -0.21 0.44 -0.62 0.09 0.00 0.00 178.44 178.16 1qwv s ASP 60 N -3.14 -0.22 -0.01 -0.43 -1.08 -1.01 -5.07 116.67 105.71 1qwv s ASP 60 Ca -0.06 0.30 0.00 0.00 -0.52 0.00 0.00 52.55 52.27 1qwv s ASP 60 Cb 0.01 1.25 0.01 0.00 -1.46 0.00 0.00 42.92 42.73 1qwv s ASP 60 CO 0.19 -0.04 0.28 0.55 0.52 0.00 0.00 175.17 176.67 1qwv n VAL 61 N 4.70 0.00 -3.63 1.11 3.14 -1.26 -4.79 118.33 117.60 1qwv n VAL 61 Ca -0.07 -0.03 -0.38 0.00 -2.96 0.00 0.00 64.34 60.90 1qwv n VAL 61 Cb 0.55 0.24 -0.11 0.00 -1.06 0.00 0.00 33.84 33.45 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 4.94 0.00 1.55 -7.23 -1.26 -4.02 120.40 114.39 1qwv s VAL 62 Ca 0.00 -0.05 -0.25 0.00 -1.81 0.00 0.00 61.98 59.87 1qwv s VAL 62 Cb 0.01 -3.39 -0.16 0.00 0.56 0.00 0.00 36.38 33.41 1qwv s VAL 62 CO -0.00 0.21 1.16 -0.78 -0.31 0.00 0.00 175.10 175.38 1qwv h ASP 63 N 8.35 -0.45 0.00 4.85 3.58 -1.85 -3.47 116.42 127.43 1qwv h ASP 63 Ca -0.35 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1qwv h ASP 63 Cb 1.18 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1qwv h ASP 63 CO 0.58 -0.07 0.00 -0.81 -2.88 0.00 0.00 179.24 176.06 1qwv n PRO 64 N -5.18 3.13 0.00 0.28 -0.05 -1.26 -4.90 135.00 127.02 1qwv n PRO 64 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.35 1qwv n PRO 64 Cb 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.73 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 0.10 0.00 3.54 9.92 -1.26 -4.84 116.55 124.01 1qwv n ASP 65 Ca 0.00 -1.63 0.00 0.00 -0.53 0.00 0.00 54.79 52.63 1qwv n ASP 65 Cb 0.00 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 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 0.29 1.82 3.82 0.44 0.00 -1.26 -5.10 105.19 105.19 1qwv n GLY 66 Ca 0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.16 5.50 -0.72 1.61 4.22 -1.26 -4.31 114.94 117.82 1qwv s ASN 67 Ca 0.00 1.63 -0.03 0.00 -2.14 0.00 0.00 52.86 52.31 1qwv s ASN 67 Cb 0.00 -2.50 0.00 0.00 1.28 0.00 0.00 41.25 40.04 1qwv s ASN 67 CO 0.00 -1.36 0.62 0.18 -2.04 0.00 0.00 177.10 174.50 1qwv n LEU 68 N -2.95 -2.89 -4.23 3.54 7.99 -1.26 -4.49 117.00 112.70 1qwv n LEU 68 Ca 0.08 -0.31 -0.43 0.00 -0.01 0.00 0.00 56.01 55.33 1qwv n LEU 68 Cb 0.53 -1.92 0.00 0.00 -0.11 0.00 0.00 43.42 41.93 1qwv n LEU 68 CO 0.55 0.31 2.04 0.00 -1.51 0.00 0.00 177.39 178.78 1qwv n HIS 69 N -3.51 4.19 -0.05 -1.77 1.44 -1.26 -4.58 115.22 109.67 1qwv n HIS 69 Ca -0.05 -2.98 -0.02 0.00 -2.01 0.00 0.00 57.72 52.66 1qwv n HIS 69 Cb 0.55 -2.43 -0.01 0.00 0.12 0.00 0.00 29.99 28.23 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 6.81 0.00 0.23 -1.40 6.17 -1.91 -3.30 115.15 121.74 1qwv h HIS 70 Ca 0.45 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.52 1qwv h HIS 70 Cb 0.78 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.70 1qwv h HIS 70 CO 1.34 0.00 -0.15 0.78 0.71 0.00 0.00 177.93 180.62 1qwv h GLY 71 N -0.81 -0.37 1.07 5.26 0.00 -1.96 -2.42 103.07 103.84 1qwv h GLY 71 Ca 0.00 0.16 0.08 0.00 0.00 0.00 0.00 47.33 47.57 1qwv h GLY 71 CO 0.00 -0.15 0.42 -0.57 0.00 0.00 0.00 176.54 176.24 1qwv h ASN 72 N -0.37 0.48 -0.03 0.19 -0.73 -1.84 0.13 115.58 113.41 1qwv h ASN 72 Ca -0.02 0.01 -0.14 0.00 1.87 0.00 0.00 56.30 58.01 1qwv h ASN 72 Cb 0.31 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 1qwv h ASN 72 CO 0.02 0.30 -0.46 0.00 -0.37 0.00 0.00 177.43 176.92 1qwv h ALA 73 N 1.67 0.78 0.13 1.57 0.00 -1.53 0.40 119.26 122.29 1qwv h ALA 73 Ca 0.28 -0.47 -0.27 0.00 0.00 0.00 0.00 54.91 54.45 1qwv h ALA 73 Cb 0.41 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1qwv h ALA 73 CO -0.09 0.66 -1.24 0.87 0.00 0.00 0.00 179.25 179.45 1qwv h LYS 74 N 0.46 0.29 -0.40 0.00 1.79 -0.90 -2.45 116.57 115.35 1qwv h LYS 74 Ca 0.03 -0.48 -0.05 0.00 -2.18 0.00 0.00 60.65 57.96 1qwv h LYS 74 Cb 0.97 0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.78 1qwv h LYS 74 CO 0.09 1.23 0.02 0.22 -1.08 0.00 0.00 179.45 179.93 1qwv h ASP 75 N 0.08 0.60 -0.40 0.86 3.58 -0.66 -1.91 116.42 118.56 1qwv h ASP 75 Ca -0.14 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.17 1qwv h ASP 75 Cb 1.96 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.83 1qwv h ASP 75 CO 0.21 0.65 0.17 0.15 -2.88 0.00 0.00 179.24 177.54 1qwv h PHE 76 N 0.61 0.65 -0.13 0.28 3.57 -0.03 -1.61 116.94 120.28 1qwv h PHE 76 Ca 0.13 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 1qwv h PHE 76 Cb 0.35 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1qwv h PHE 76 CO 0.01 0.52 -0.42 0.00 -2.23 0.00 0.00 178.31 176.19 1qwv h ALA 77 N 1.54 1.03 -0.44 2.41 0.00 -0.88 0.97 119.26 123.88 1qwv h ALA 77 Ca 0.16 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1qwv h ALA 77 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1qwv h ALA 77 CO -0.01 0.61 -0.23 0.52 0.00 0.00 0.00 179.25 180.14 1qwv h MET 78 N 0.26 0.91 -0.01 0.00 2.86 -0.73 -1.56 114.93 116.66 1qwv h MET 78 Ca 0.02 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1qwv h MET 78 Cb 0.86 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1qwv h MET 78 CO 0.07 1.05 -0.40 0.36 1.06 0.00 0.00 176.91 179.05 1qwv n LYS 79 N -4.10 0.76 -3.55 1.72 2.85 -0.72 -4.40 118.16 110.72 1qwv n LYS 79 Ca -0.00 -0.52 -0.29 0.00 -1.05 0.00 0.00 58.31 56.45 1qwv n LYS 79 Cb 0.46 -1.49 -0.12 0.00 -0.65 0.00 0.00 35.03 33.23 1qwv n LYS 79 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1qwv s HIS 80 N -2.59 1.23 0.00 5.58 3.76 0.33 -4.99 115.29 118.60 1qwv s HIS 80 Ca 0.20 -1.99 0.00 0.00 -0.15 0.00 0.00 55.06 53.12 1qwv s HIS 80 Cb 0.18 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.60 1qwv s HIS 80 CO 0.58 -0.81 0.00 0.41 -0.85 0.00 0.00 174.74 174.07 1qwv n GLY 81 N 3.73 2.31 3.77 -2.22 0.00 -1.22 -4.45 105.19 107.11 1qwv n GLY 81 Ca 0.13 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.96 3.73 0.87 4.61 0.00 -0.60 -4.75 121.76 124.66 1qwv s ALA 82 Ca 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 51.96 51.18 1qwv s ALA 82 Cb 0.00 -2.14 0.12 0.00 0.00 0.00 0.00 23.12 21.10 1qwv s ALA 82 CO 0.00 0.27 1.21 0.16 0.00 0.00 0.00 175.76 177.40 1qwv s ASP 83 N 0.01 3.93 0.19 0.00 -4.77 -1.26 -3.85 116.67 110.92 1qwv s ASP 83 Ca 0.11 0.66 -0.11 0.00 -3.30 0.00 0.00 52.55 49.90 1qwv s ASP 83 Cb -0.12 -1.03 0.21 0.00 -1.09 0.00 0.00 42.92 40.89 1qwv s ASP 83 CO 0.00 -2.26 1.77 -0.33 0.70 0.00 0.00 175.17 175.05 1qwv h GLU 84 N -1.30 0.45 -0.96 2.11 5.08 -1.97 -1.35 114.58 116.64 1qwv h GLU 84 Ca -0.46 -0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.01 1qwv h GLU 84 Cb 1.30 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.36 1qwv h GLU 84 CO 0.57 0.30 0.58 0.00 -1.00 0.00 0.00 179.01 179.46 1qwv h THR 85 N 0.46 0.85 0.19 1.13 1.03 -1.97 0.65 112.91 115.25 1qwv h THR 85 Ca 0.26 -0.30 -0.32 0.00 -0.01 0.00 0.00 66.41 66.04 1qwv h THR 85 Cb 0.25 -0.10 0.02 0.00 -1.07 0.00 0.00 68.15 67.25 1qwv h THR 85 CO -0.23 0.16 -1.52 0.24 -0.01 0.00 0.00 175.52 174.16 1qwv h MET 86 N 0.87 0.40 -0.80 0.00 2.86 -1.64 -1.04 114.93 115.59 1qwv h MET 86 Ca 0.50 -0.69 0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1qwv h MET 86 Cb 0.58 0.26 -0.05 0.00 0.06 0.00 0.00 31.60 32.45 1qwv h MET 86 CO -0.30 1.31 0.52 0.00 1.06 0.00 0.00 176.91 179.50 1qwv h ALA 87 N 0.29 1.53 0.00 6.32 0.00 -0.88 -0.95 119.26 125.58 1qwv h ALA 87 Ca -0.26 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1qwv h ALA 87 Cb 2.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1qwv h ALA 87 CO 0.22 0.39 -0.34 1.96 0.00 0.00 0.00 179.25 181.47 1qwv h GLN 88 N 0.97 0.00 0.00 0.00 7.50 0.55 0.29 115.11 124.42 1qwv h GLN 88 Ca 0.32 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.40 1qwv h GLN 88 Cb 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.58 1qwv h GLN 88 CO -0.10 0.34 -0.31 1.96 -1.50 0.00 0.00 178.83 179.22 1qwv h GLN 89 N 0.00 0.00 0.03 1.46 1.08 -0.25 -3.32 115.11 114.11 1qwv h GLN 89 Ca -0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.97 1qwv h GLN 89 Cb 0.95 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.35 1qwv h GLN 89 CO 0.04 0.31 -1.21 1.25 -0.95 0.00 0.00 178.83 178.28 1qwv h LEU 90 N 0.00 0.09 -1.19 1.46 5.85 -0.39 -3.38 115.31 117.74 1qwv h LEU 90 Ca -0.00 -0.65 0.07 0.00 0.84 0.00 0.00 57.88 58.14 1qwv h LEU 90 Cb 1.13 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 1qwv h LEU 90 CO 0.04 1.49 0.57 -0.37 -0.34 0.00 0.00 178.44 179.83 1qwv h VAL 91 N -0.81 1.04 -0.33 1.05 -1.51 -0.58 -1.74 116.25 113.37 1qwv h VAL 91 Ca -0.31 -0.33 -0.09 0.00 -1.23 0.00 0.00 66.70 64.74 1qwv h VAL 91 Cb 1.40 -0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.55 1qwv h VAL 91 CO -0.13 0.18 -0.14 -0.78 -1.23 0.00 0.00 177.57 175.47 1qwv h ASP 92 N 0.96 0.69 -0.63 4.19 3.58 -1.77 -1.90 116.42 121.54 1qwv h ASP 92 Ca 0.38 -0.40 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1qwv h ASP 92 Cb 0.24 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 1qwv h ASP 92 CO -0.14 0.93 0.33 0.40 -2.88 0.00 0.00 179.24 177.88 1qwv h ILE 93 N 0.44 1.20 -0.45 2.25 5.03 -1.60 -1.98 117.51 122.40 1qwv h ILE 93 Ca 0.08 -0.53 0.06 0.00 -0.12 0.00 0.00 64.86 64.34 1qwv h ILE 93 Cb 0.66 0.41 -0.05 0.00 -3.03 0.00 0.00 36.82 34.81 1qwv h ILE 93 CO 0.04 0.23 0.15 0.40 -0.68 0.00 0.00 178.15 178.29 1qwv h ILE 94 N 0.85 0.84 -0.31 -0.67 2.04 -1.05 -1.81 117.51 117.41 1qwv h ILE 94 Ca 0.22 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 1qwv h ILE 94 Cb 0.06 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1qwv h ILE 94 CO -0.03 0.06 -0.12 0.45 0.00 0.00 0.00 178.15 178.50 1qwv h HIS 95 N 0.32 0.56 0.00 1.37 3.86 -0.86 -2.10 115.15 118.30 1qwv h HIS 95 Ca 0.21 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1qwv h HIS 95 Cb 0.22 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1qwv h HIS 95 CO -0.16 0.63 -0.08 0.78 0.86 0.00 0.00 177.93 179.95 1qwv h GLY 96 N 0.93 0.00 2.00 2.45 0.00 -0.68 -2.55 103.07 105.23 1qwv h GLY 96 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.31 1qwv h GLY 96 CO 0.03 0.00 -0.51 0.00 0.00 0.00 0.00 176.54 176.06 1qwv h GLU 98 N 0.00 0.93 -0.48 0.00 4.22 -1.53 0.47 114.58 118.19 1qwv h GLU 98 Ca -0.01 -0.25 -0.05 0.00 0.08 0.00 0.00 59.36 59.13 1qwv h GLU 98 Cb 1.09 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1qwv h GLU 98 CO 0.07 0.90 0.11 -0.22 -2.18 0.00 0.00 179.01 177.68 1qwv h LYS 99 N 0.86 0.77 -0.69 1.92 3.64 -0.98 -3.07 116.57 119.02 1qwv h LYS 99 Ca 0.17 -0.19 -0.26 0.00 -1.27 0.00 0.00 60.65 59.10 1qwv h LYS 99 Cb 0.46 -0.10 -0.16 0.00 -0.41 0.00 0.00 32.23 32.02 1qwv h LYS 99 CO 0.02 0.76 0.28 0.43 -2.27 0.00 0.00 179.45 178.67 1qwv n SER 100 N -4.47 4.08 -4.76 4.20 7.64 0.07 -4.98 113.62 115.39 1qwv n SER 100 Ca 0.01 -3.39 -0.33 0.00 1.01 0.00 0.00 58.87 56.17 1qwv n SER 100 Cb 0.23 -0.73 0.06 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 -3.10 2.38 1.04 -0.43 0.00 0.16 -4.93 121.76 116.88 1qwv s ALA 101 Ca 0.53 0.56 -0.15 0.00 0.00 0.00 0.00 51.96 52.89 1qwv s ALA 101 Cb 0.44 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 20.32 1qwv s ALA 101 CO 0.10 -1.44 0.36 -2.30 0.00 0.00 0.00 175.76 172.48 1qwv n PRO 102 N -2.63 -1.09 -0.03 0.00 -0.02 -1.26 -4.77 135.00 125.20 1qwv n PRO 102 Ca 0.11 -0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1qwv n PRO 102 Cb 0.52 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 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 -2.42 0.44 -3.93 0.52 -0.02 -1.26 -4.41 135.00 123.92 1qwv n PRO 103 Ca 0.04 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.22 1qwv n PRO 103 Cb 0.57 -1.28 -0.14 0.00 -0.02 0.00 0.00 33.50 32.63 1qwv n PRO 103 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1qwv s ASN 104 N 1.12 4.39 -0.84 2.55 -0.87 -1.26 -5.05 114.94 114.99 1qwv s ASN 104 Ca 0.00 -2.52 -0.25 0.00 -1.57 0.00 0.00 52.86 48.53 1qwv s ASN 104 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 41.25 39.71 1qwv s ASN 104 CO 0.00 -0.31 1.84 -0.62 -2.57 0.00 0.00 177.10 175.44 1qwv s ASP 105 N 0.42 5.37 -0.54 -1.22 2.15 -1.26 -4.92 116.67 116.66 1qwv s ASP 105 Ca 0.14 -0.51 -0.21 0.00 0.43 0.00 0.00 52.55 52.40 1qwv s ASP 105 Cb -0.22 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 39.90 1qwv s ASP 105 CO -0.05 -2.48 0.77 -0.62 -0.17 0.00 0.00 175.17 172.62 1qwv s ASP 106 N 7.51 6.25 0.00 -0.34 -1.08 -1.26 -4.98 116.67 122.78 1qwv s ASP 106 Ca 0.65 -0.78 0.00 0.00 -0.52 0.00 0.00 52.55 51.91 1qwv s ASP 106 Cb -0.07 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1qwv s ASP 106 CO 0.04 -1.08 0.58 1.17 0.52 0.00 0.00 175.17 176.40 1qwv n LYS 107 N 6.77 0.00 0.00 4.34 4.81 -1.26 -1.24 118.16 131.57 1qwv n LYS 107 Ca -0.04 0.58 0.12 0.00 -0.87 0.00 0.00 58.31 58.10 1qwv n LYS 107 Cb 0.46 -0.94 0.23 0.00 0.02 0.00 0.00 35.03 34.79 1qwv n LYS 107 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qwv h MET 109 N 0.07 0.00 -0.56 0.00 2.86 -1.47 -3.37 114.93 112.46 1qwv h MET 109 Ca 0.00 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1qwv h MET 109 Cb 0.50 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.10 1qwv h MET 109 CO 0.00 0.13 0.23 1.57 1.06 0.00 0.00 176.91 179.89 1qwv h LYS 110 N 0.00 0.42 0.00 1.72 -0.00 -1.38 0.31 116.57 117.64 1qwv h LYS 110 Ca -0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.58 1qwv h LYS 110 Cb 1.20 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 33.33 1qwv h LYS 110 CO 0.02 0.28 0.22 -2.37 -0.00 0.00 0.00 179.45 177.60 1qwv n THR 111 N -4.96 0.71 -0.02 0.07 5.66 -1.26 -0.84 114.28 113.64 1qwv n THR 111 Ca 0.07 0.75 -0.20 0.00 -3.05 0.00 0.00 64.05 61.62 1qwv n THR 111 Cb 0.22 -1.75 -0.14 0.00 -1.55 0.00 0.00 70.33 67.12 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 -2.11 1.72 -0.29 1.09 -0.00 0.11 -1.88 119.36 117.99 1qwv n ILE 112 Ca -0.01 -0.66 0.02 0.00 -0.00 0.00 0.00 62.75 62.11 1qwv n ILE 112 Cb 0.25 -1.61 0.22 0.00 -0.00 0.00 0.00 39.64 38.50 1qwv n ILE 112 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1qwv h ASP 113 N 0.05 0.93 0.61 4.38 1.82 -0.77 0.62 116.42 124.07 1qwv h ASP 113 Ca -0.44 -0.01 -0.28 0.00 -0.39 0.00 0.00 57.03 55.92 1qwv h ASP 113 Cb 2.02 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 41.81 1qwv h ASP 113 CO 0.06 0.63 -1.35 -0.37 -1.61 0.00 0.00 179.24 176.59 1qwv h VAL 114 N 1.07 1.35 -0.69 2.25 -1.51 -1.39 -3.05 116.25 114.28 1qwv h VAL 114 Ca 0.36 -2.99 0.03 0.00 -1.23 0.00 0.00 66.70 62.86 1qwv h VAL 114 Cb 0.07 2.82 -0.04 0.00 -2.13 0.00 0.00 31.29 32.00 1qwv h VAL 114 CO -0.11 0.85 0.43 0.00 -1.23 0.00 0.00 177.57 177.51 1qwv h ALA 115 N 0.65 0.90 0.00 5.19 0.00 -0.97 -1.30 119.26 123.73 1qwv h ALA 115 Ca -0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1qwv h ALA 115 Cb 1.96 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1qwv h ALA 115 CO 0.16 0.21 -0.00 0.00 0.00 0.00 0.00 179.25 179.62 1qwv h MET 116 N 0.85 0.00 -0.03 0.00 -0.00 -0.85 0.73 114.93 115.63 1qwv h MET 116 Ca 0.28 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.90 1qwv h MET 116 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.60 1qwv h MET 116 CO -0.10 0.00 -0.33 0.00 -0.00 0.00 0.00 176.91 176.48 1qwv h PHE 118 N 0.05 0.40 0.00 0.00 3.57 -0.58 -2.35 116.94 118.03 1qwv h PHE 118 Ca 0.00 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 1qwv h PHE 118 Cb 0.61 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 1qwv h PHE 118 CO 0.00 0.84 -0.10 1.57 -2.23 0.00 0.00 178.31 178.39 1qwv h LYS 119 N -0.15 0.00 -0.24 1.11 -0.00 -1.44 -1.14 116.57 114.72 1qwv h LYS 119 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 60.65 60.68 1qwv h LYS 119 Cb 0.84 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.04 1qwv h LYS 119 CO 0.05 0.10 0.04 0.87 -0.00 0.00 0.00 179.45 180.52 1qwv h LYS 120 N 0.00 0.13 0.12 0.07 6.56 -1.22 0.15 116.57 122.38 1qwv h LYS 120 Ca -0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1qwv h LYS 120 Cb 0.61 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.23 1qwv h LYS 120 CO 0.01 0.09 -0.12 0.93 -2.06 0.00 0.00 179.45 178.30 1qwv h GLU 121 N 0.13 -0.26 -0.70 3.15 4.39 -0.77 -0.88 114.58 119.65 1qwv h GLU 121 Ca 0.11 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.91 1qwv h GLU 121 Cb 0.11 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 1qwv h GLU 121 CO -0.15 -0.17 0.46 0.97 -1.16 0.00 0.00 179.01 178.97 1qwv h ILE 122 N -0.27 0.97 0.00 3.13 -0.00 -1.09 0.11 117.51 120.36 1qwv h ILE 122 Ca 0.01 -0.23 0.00 0.00 -0.00 0.00 0.00 64.86 64.64 1qwv h ILE 122 Cb 0.26 0.26 0.00 0.00 -0.00 0.00 0.00 36.82 37.33 1qwv h ILE 122 CO -0.04 0.12 0.00 0.45 -0.00 0.00 0.00 178.15 178.68 1qwv h HIS 123 N 0.66 0.00 0.10 2.19 3.86 -0.22 -2.37 115.15 119.37 1qwv h HIS 123 Ca 0.31 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 59.26 1qwv h HIS 123 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1qwv h HIS 123 CO -0.00 0.00 -1.17 -0.22 0.86 0.00 0.00 177.93 177.40 1qwv h LYS 124 N 0.00 0.29 -0.16 2.45 1.63 0.61 -3.35 116.57 118.04 1qwv h LYS 124 Ca 0.00 -0.45 -0.22 0.00 -0.85 0.00 0.00 60.65 59.13 1qwv h LYS 124 Cb 0.56 0.16 0.01 0.00 -0.60 0.00 0.00 32.23 32.36 1qwv h LYS 124 CO 0.00 1.19 -0.75 -0.07 -3.45 0.00 0.00 179.45 176.36 1qwv h LEU 125 N 0.10 0.92 0.00 5.20 3.38 -1.09 -3.46 115.31 120.36 1qwv h LEU 125 Ca -0.12 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1qwv h LEU 125 Cb 1.88 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1qwv h LEU 125 CO 0.19 1.39 0.00 0.59 0.09 0.00 0.00 178.44 180.70 1qwv n ASN 126 N -3.93 0.00 -4.57 -0.43 3.02 -0.92 -4.69 115.26 103.74 1qwv n ASN 126 Ca -0.07 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.09 1qwv n ASN 126 Cb 0.73 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.87 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 1.21 -0.33 3.10 0.51 -1.26 -4.93 118.94 117.24 1qwv s TRP 127 Ca 0.00 1.13 0.02 0.00 -2.12 0.00 0.00 56.10 55.13 1qwv s TRP 127 Cb 0.00 -3.77 0.10 0.00 -0.81 0.00 0.00 33.47 28.99 1qwv s TRP 127 CO 0.00 -2.99 0.06 0.14 -0.51 0.00 0.00 176.95 173.65 1qwv s VAL 128 N 10.39 1.79 0.00 4.03 -7.23 -1.26 -5.08 120.40 123.05 1qwv s VAL 128 Ca 0.94 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1qwv s VAL 128 Cb -0.22 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1qwv s VAL 128 CO 0.29 -0.60 0.19 -0.81 -0.31 0.00 0.00 175.10 173.85 1qwv n PRO 129 N 4.46 0.00 -0.83 4.82 -0.04 -1.26 -4.32 135.00 137.83 1qwv n PRO 129 Ca 0.01 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.42 1qwv n PRO 129 Cb 0.42 -0.66 0.21 0.00 -0.04 0.00 0.00 33.50 33.43 1qwv n PRO 129 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1qwv n ASN 130 N -0.20 2.95 -2.63 3.54 0.23 -1.26 -4.76 115.26 113.12 1qwv n ASN 130 Ca 0.00 -3.63 -0.25 0.00 -0.53 0.00 0.00 54.58 50.17 1qwv n ASN 130 Cb 0.00 -0.66 -0.10 0.00 -2.08 0.00 0.00 39.78 36.94 1qwv n ASN 130 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1qwv n MET 131 N -1.01 2.83 -3.39 -3.83 2.81 -1.26 -4.65 117.12 108.63 1qwv n MET 131 Ca 0.36 -1.63 -0.13 0.00 -1.81 0.00 0.00 57.70 54.49 1qwv n MET 131 Cb 1.13 -2.37 -0.09 0.00 -0.71 0.00 0.00 33.22 31.17 1qwv n MET 131 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1qwv s ASP 132 N 1.99 0.92 -1.11 7.83 2.15 -1.26 -4.65 116.67 122.55 1qwv s ASP 132 Ca 0.68 -0.26 -0.21 0.00 0.43 0.00 0.00 52.55 53.18 1qwv s ASP 132 Cb 0.26 0.79 0.06 0.00 -0.30 0.00 0.00 42.92 43.72 1qwv s ASP 132 CO -0.03 -0.34 1.55 -0.22 -0.17 0.00 0.00 175.17 175.95 1qwv s LEU 133 N 2.45 3.61 0.33 -1.34 2.96 -1.26 -4.95 118.68 120.47 1qwv s LEU 133 Ca 0.10 -1.77 -0.27 0.00 -0.22 0.00 0.00 54.13 51.97 1qwv s LEU 133 Cb -0.14 -2.57 -0.09 0.00 0.50 0.00 0.00 46.19 43.88 1qwv s LEU 133 CO -0.23 -1.41 1.12 0.54 -1.32 0.00 0.00 176.35 175.05 1qwv s VAL 134 N 4.78 3.41 -0.18 1.68 0.11 -1.26 -4.18 120.40 124.76 1qwv s VAL 134 Ca 0.49 1.30 -0.04 0.00 -2.93 0.00 0.00 61.98 60.80 1qwv s VAL 134 Cb 0.01 -3.78 -0.02 0.00 -1.53 0.00 0.00 36.38 31.06 1qwv s VAL 134 CO -0.04 0.22 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.29 1qwv s ILE 135 N -1.31 3.75 -0.14 7.04 -1.09 -1.26 -5.07 121.20 123.12 1qwv s ILE 135 Ca 0.50 -0.39 -0.07 0.00 -2.23 0.00 0.00 60.65 58.46 1qwv s ILE 135 Cb -0.30 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 1qwv s ILE 135 CO 0.39 0.46 0.09 -0.83 -1.23 0.00 0.00 174.94 173.82 1qwv s GLY 136 N 0.78 2.01 0.21 6.18 0.00 -1.26 -5.08 107.32 110.16 1qwv s GLY 136 Ca -0.01 -0.71 -0.30 0.00 0.00 0.00 0.00 44.72 43.70 1qwv s GLY 136 CO 0.02 -0.22 1.01 -0.54 0.00 0.00 0.00 173.10 173.38 1qwv s GLU 137 N -0.39 4.73 -0.13 2.90 2.02 -1.26 -5.03 118.70 121.53 1qwv s GLU 137 Ca 0.10 1.60 -0.15 0.00 0.02 0.00 0.00 54.97 56.54 1qwv s GLU 137 Cb -0.12 -3.28 -0.05 0.00 0.10 0.00 0.00 34.13 30.79 1qwv s GLU 137 CO 0.02 0.30 0.35 0.08 0.02 0.00 0.00 175.26 176.03 1qwv s VAL 138 N -0.75 5.24 0.18 2.63 1.01 -1.26 -5.07 120.40 122.38 1qwv s VAL 138 Ca 0.45 0.68 -0.09 0.00 0.00 0.00 0.00 61.98 63.01 1qwv s VAL 138 Cb -0.27 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 1qwv s VAL 138 CO 0.34 0.41 0.49 -1.48 0.00 0.00 0.00 175.10 174.86 1qwv s LEU 139 N 0.23 4.24 0.00 3.92 2.34 -1.26 -5.03 118.68 123.13 1qwv s LEU 139 Ca 0.20 0.85 0.00 0.00 0.06 0.00 0.00 54.13 55.24 1qwv s LEU 139 Cb -0.14 -3.44 0.00 0.00 -0.56 0.00 0.00 46.19 42.05 1qwv s LEU 139 CO 0.07 0.02 0.00 0.00 -1.06 0.00 0.00 176.35 175.37 1qwv n ALA 140 N 0.20 0.54 -0.93 1.48 0.00 -1.26 -5.14 120.51 115.40 1qwv n ALA 140 Ca -0.02 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.41 1qwv n ALA 140 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 1qwv n ALA 140 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1qwv n GLU 141 N -1.81 -2.27 0.00 0.00 2.13 -1.26 -5.37 120.64 112.06 1qwv n GLU 141 Ca 0.00 1.82 0.00 0.00 0.66 0.00 0.00 57.16 59.64 1qwv n GLU 141 Cb 0.00 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.24 1qwv n GLU 141 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27