#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2av3 h VAL 3 N 0.00 1.21 -0.99 -3.33 2.07 -1.88 -1.67 116.25 111.66 2av3 h VAL 3 Ca 0.00 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.84 2av3 h VAL 3 Cb 0.00 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 2av3 h VAL 3 CO 0.00 0.23 0.66 1.88 0.02 0.00 0.00 177.57 180.35 2av3 h TYR 4 N 0.26 1.24 -0.60 1.57 0.05 -1.96 0.72 116.97 118.24 2av3 h TYR 4 Ca 0.08 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.83 2av3 h TYR 4 Cb 0.28 -0.42 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 2av3 h TYR 4 CO 0.01 0.76 0.12 -0.44 -1.05 0.00 0.00 178.16 177.56 2av3 h ASP 5 N 1.32 0.91 -0.11 3.88 3.32 -1.95 -1.67 116.42 122.11 2av3 h ASP 5 Ca 0.37 -0.19 -0.16 0.00 0.02 0.00 0.00 57.03 57.08 2av3 h ASP 5 Cb -0.10 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 2av3 h ASP 5 CO -0.09 0.90 -0.47 0.00 -1.72 0.00 0.00 179.24 177.85 2av3 h ALA 6 N 1.21 0.69 0.00 3.45 0.00 -0.58 -2.68 119.26 121.35 2av3 h ALA 6 Ca 0.19 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2av3 h ALA 6 Cb 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2av3 h ALA 6 CO 0.01 0.67 -0.11 0.00 0.00 0.00 0.00 179.25 179.82 2av3 h ALA 7 N 0.93 1.51 0.00 0.00 0.00 -0.42 -1.54 119.26 119.74 2av3 h ALA 7 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2av3 h ALA 7 Cb 1.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2av3 h ALA 7 CO 0.10 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.49 2av3 h ALA 8 N 1.89 1.00 0.00 0.00 0.00 -0.95 -0.97 119.26 120.22 2av3 h ALA 8 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2av3 h ALA 8 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2av3 h ALA 8 CO 0.01 0.00 -0.04 1.04 0.00 0.00 0.00 179.25 180.27 2av3 n GLN 9 N -2.58 0.01 -2.80 0.00 1.13 -0.58 -4.43 117.38 108.13 2av3 n GLN 9 Ca 0.00 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.63 2av3 n GLN 9 Cb 0.18 -1.51 -0.01 0.00 0.11 0.00 0.00 30.24 29.01 2av3 n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2av3 s LEU 10 N -3.03 4.53 0.81 1.08 1.43 -0.37 -4.92 118.68 118.20 2av3 s LEU 10 Ca 0.14 -2.35 -0.12 0.00 -1.03 0.00 0.00 54.13 50.77 2av3 s LEU 10 Cb 0.19 -2.47 0.08 0.00 0.03 0.00 0.00 46.19 44.02 2av3 s LEU 10 CO 0.54 -1.05 1.17 0.42 0.23 0.00 0.00 176.35 177.66 2av3 s THR 11 N 3.03 2.02 0.23 5.49 -4.23 -1.26 -4.75 115.64 116.17 2av3 s THR 11 Ca 0.43 -0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 60.86 2av3 s THR 11 Cb -0.01 -3.00 0.20 0.00 1.34 0.00 0.00 72.50 71.03 2av3 s THR 11 CO -0.03 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.77 2av3 h ALA 12 N -1.04 0.92 -0.24 3.99 0.00 -1.97 0.91 119.26 121.84 2av3 h ALA 12 Ca -0.46 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 2av3 h ALA 12 Cb 1.33 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2av3 h ALA 12 CO 0.65 -0.26 -0.31 -0.44 0.00 0.00 0.00 179.25 178.89 2av3 h ASP 13 N 0.36 0.50 -0.27 0.00 3.32 -1.99 -1.55 116.42 116.79 2av3 h ASP 13 Ca 0.38 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 2av3 h ASP 13 Cb 0.58 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2av3 h ASP 13 CO -0.42 0.78 -0.16 0.58 -1.72 0.00 0.00 179.24 178.31 2av3 h VAL 14 N 0.42 1.30 -0.82 -1.35 2.07 -1.53 -2.26 116.25 114.08 2av3 h VAL 14 Ca 0.05 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 2av3 h VAL 14 Cb 0.75 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 2av3 h VAL 14 CO 0.06 0.40 0.43 0.11 0.02 0.00 0.00 177.57 178.59 2av3 h LYS 15 N 0.31 1.15 -0.52 1.57 1.57 -0.76 -1.44 116.57 118.45 2av3 h LYS 15 Ca 0.05 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2av3 h LYS 15 Cb 0.69 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2av3 h LYS 15 CO 0.05 0.86 0.23 -0.22 -0.57 0.00 0.00 179.45 179.80 2av3 h LYS 16 N 1.15 0.76 -0.17 3.15 1.63 -1.17 -1.47 116.57 120.46 2av3 h LYS 16 Ca 0.29 -0.12 -0.11 0.00 -0.85 0.00 0.00 60.65 59.85 2av3 h LYS 16 Cb 0.06 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 2av3 h LYS 16 CO -0.04 0.65 -0.38 -0.44 -3.45 0.00 0.00 179.45 175.78 2av3 h ASP 17 N 0.69 0.38 -0.19 4.20 3.32 -1.08 -1.42 116.42 122.32 2av3 h ASP 17 Ca 0.18 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2av3 h ASP 17 Cb 0.15 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2av3 h ASP 17 CO -0.02 0.73 0.03 -0.07 -1.72 0.00 0.00 179.24 178.19 2av3 h LEU 18 N 0.31 0.31 -0.65 1.55 3.38 -0.99 -1.79 115.31 117.42 2av3 h LEU 18 Ca 0.03 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 2av3 h LEU 18 Cb 0.81 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2av3 h LEU 18 CO 0.07 0.49 0.10 0.03 0.09 0.00 0.00 178.44 179.22 2av3 h ARG 19 N 0.11 1.08 -0.47 1.13 3.08 -1.15 0.51 114.38 118.67 2av3 h ARG 19 Ca 0.06 -0.29 -0.08 0.00 0.07 0.00 0.00 59.98 59.73 2av3 h ARG 19 Cb 0.31 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2av3 h ARG 19 CO 0.00 1.00 -0.02 -0.44 -1.07 0.00 0.00 179.97 179.44 2av3 h ASP 20 N 1.00 0.84 0.21 7.04 5.19 -1.23 -1.73 116.42 127.74 2av3 h ASP 20 Ca 0.20 -0.32 -0.19 0.00 -0.62 0.00 0.00 57.03 56.10 2av3 h ASP 20 Cb 0.44 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 2av3 h ASP 20 CO 0.01 0.96 -0.73 0.77 -3.12 0.00 0.00 179.24 177.13 2av3 h SER 21 N 0.70 0.53 0.24 6.45 4.64 -1.23 -3.07 113.55 121.81 2av3 h SER 21 Ca 0.13 -0.34 -0.07 0.00 -0.47 0.00 0.00 61.79 61.04 2av3 h SER 21 Cb 0.54 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2av3 h SER 21 CO 0.03 1.09 -0.29 -0.25 -0.87 0.00 0.00 176.83 176.53 2av3 h TRP 22 N 0.30 0.09 -0.44 4.77 2.91 -0.79 -0.44 115.95 122.36 2av3 h TRP 22 Ca -0.03 -0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.10 2av3 h TRP 22 Cb 1.31 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.92 2av3 h TRP 22 CO 0.05 0.37 0.31 -0.22 -1.03 0.00 0.00 178.44 177.93 2av3 h LYS 23 N 0.08 0.01 0.00 2.65 3.64 -1.21 0.35 116.57 122.09 2av3 h LYS 23 Ca 0.01 -0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.05 2av3 h LYS 23 Cb 0.56 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 2av3 h LYS 23 CO 0.04 0.01 -1.92 0.28 -2.27 0.00 0.00 179.45 175.59 2av3 n VAL 24 N -4.41 1.53 -0.26 2.00 0.31 -0.86 -4.13 118.33 112.51 2av3 n VAL 24 Ca 0.07 -0.20 -0.05 0.00 -0.01 0.00 0.00 64.34 64.15 2av3 n VAL 24 Cb 0.51 -1.99 0.06 0.00 -0.91 0.00 0.00 33.84 31.51 2av3 n VAL 24 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2av3 h ILE 25 N -1.00 1.21 0.00 2.52 1.08 -0.94 -2.27 117.51 118.11 2av3 h ILE 25 Ca -0.51 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 2av3 h ILE 25 Cb 1.42 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 2av3 h ILE 25 CO -0.31 0.22 0.00 0.61 -0.69 0.00 0.00 178.15 177.98 2av3 n GLY 26 N -1.17 -0.91 0.09 5.37 0.00 0.12 -3.28 105.19 105.41 2av3 n GLY 26 Ca 0.06 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.07 2av3 n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2av3 n SER 27 N -0.90 0.77 -3.44 1.61 3.41 -0.85 -4.16 113.62 110.06 2av3 n SER 27 Ca 0.17 0.45 -0.27 0.00 -0.26 0.00 0.00 58.87 58.96 2av3 n SER 27 Cb 0.08 -0.53 -0.10 0.00 -0.26 0.00 0.00 64.21 63.40 2av3 n SER 27 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2av3 s ASP 28 N -4.42 1.75 0.25 4.04 2.15 -1.21 -5.00 116.67 114.23 2av3 s ASP 28 Ca 0.10 -3.15 -0.02 0.00 0.43 0.00 0.00 52.55 49.90 2av3 s ASP 28 Cb 0.13 -0.55 0.30 0.00 -0.30 0.00 0.00 42.92 42.49 2av3 s ASP 28 CO 0.63 -0.16 1.72 0.11 -0.17 0.00 0.00 175.17 177.30 2av3 h LYS 29 N 5.61 0.76 0.06 4.34 1.57 -1.76 -1.23 116.57 125.91 2av3 h LYS 29 Ca 0.26 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2av3 h LYS 29 Cb 0.89 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2av3 h LYS 29 CO 0.41 0.83 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.86 2av3 h LYS 30 N 0.70 -0.07 -0.06 3.15 3.64 -1.92 -0.40 116.57 121.60 2av3 h LYS 30 Ca 0.12 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2av3 h LYS 30 Cb 0.55 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2av3 h LYS 30 CO 0.03 0.40 0.03 0.78 -2.27 0.00 0.00 179.45 178.43 2av3 h GLY 31 N -0.59 0.09 1.88 5.01 0.00 -1.97 -1.67 103.07 105.82 2av3 h GLY 31 Ca -0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 47.33 47.09 2av3 h GLY 31 CO 0.01 0.04 -0.86 3.43 0.00 0.00 0.00 176.54 179.17 2av3 h ASN 32 N -0.00 0.14 -0.47 0.19 2.35 -1.33 -2.10 115.58 114.36 2av3 h ASN 32 Ca 0.02 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 2av3 h ASN 32 Cb 0.09 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2av3 h ASN 32 CO -0.00 0.93 0.12 1.23 -1.65 0.00 0.00 177.43 178.06 2av3 h GLY 33 N 2.12 0.81 1.21 2.83 0.00 -1.03 -0.31 103.07 108.69 2av3 h GLY 33 Ca -0.03 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.67 2av3 h GLY 33 CO 0.12 0.46 -0.27 -2.08 0.00 0.00 0.00 176.54 174.77 2av3 h VAL 34 N 0.63 1.27 -0.61 4.60 2.07 -1.30 -2.20 116.25 120.71 2av3 h VAL 34 Ca 0.15 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 2av3 h VAL 34 Cb 0.31 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2av3 h VAL 34 CO -0.00 0.48 0.28 0.00 0.02 0.00 0.00 177.57 178.36 2av3 h ALA 35 N 0.92 1.34 -0.05 1.67 0.00 -1.15 0.12 119.26 122.12 2av3 h ALA 35 Ca 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2av3 h ALA 35 Cb 0.83 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2av3 h ALA 35 CO 0.07 0.51 0.02 1.25 0.00 0.00 0.00 179.25 181.10 2av3 h LEU 36 N 0.87 0.06 -0.26 0.00 5.85 -0.74 -1.87 115.31 119.22 2av3 h LEU 36 Ca 0.21 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 2av3 h LEU 36 Cb 0.11 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2av3 h LEU 36 CO -0.03 0.21 -0.03 0.24 -0.34 0.00 0.00 178.44 178.50 2av3 h MET 37 N -0.09 0.47 0.00 1.25 2.86 -0.98 -1.86 114.93 116.58 2av3 h MET 37 Ca 0.02 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 2av3 h MET 37 Cb 0.17 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2av3 h MET 37 CO -0.00 0.66 -0.26 1.79 1.06 0.00 0.00 176.91 180.16 2av3 h THR 38 N 0.23 1.18 -0.13 2.22 1.35 -1.01 -1.37 112.91 115.38 2av3 h THR 38 Ca 0.07 -0.90 -0.20 0.00 -0.55 0.00 0.00 66.41 64.83 2av3 h THR 38 Cb 0.47 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2av3 h THR 38 CO 0.02 0.26 -0.73 0.74 -0.25 0.00 0.00 175.52 175.55 2av3 h THR 39 N 0.00 1.33 -0.42 6.82 2.02 -1.22 -1.51 112.91 119.93 2av3 h THR 39 Ca -0.00 -2.03 -0.02 0.00 0.77 0.00 0.00 66.41 65.12 2av3 h THR 39 Cb 0.46 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 2av3 h THR 39 CO 0.03 0.63 0.17 0.25 0.37 0.00 0.00 175.52 176.97 2av3 h LEU 40 N 0.42 0.58 -0.93 2.58 5.85 -0.73 -0.88 115.31 122.20 2av3 h LEU 40 Ca -0.04 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 2av3 h LEU 40 Cb 1.33 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2av3 h LEU 40 CO 0.14 0.59 -0.28 -0.26 -0.34 0.00 0.00 178.44 178.29 2av3 h PHE 41 N 0.54 0.52 -0.18 1.25 0.04 -1.21 -0.23 116.94 117.67 2av3 h PHE 41 Ca 0.14 -0.11 -0.13 0.00 2.80 0.00 0.00 57.97 60.67 2av3 h PHE 41 Cb 0.19 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.21 2av3 h PHE 41 CO 0.00 0.69 -0.39 0.00 -0.60 0.00 0.00 178.31 178.01 2av3 h ALA 42 N 1.31 0.28 0.00 2.45 0.00 -1.00 -2.79 119.26 119.51 2av3 h ALA 42 Ca 0.06 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 2av3 h ALA 42 Cb 0.70 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2av3 h ALA 42 CO 0.05 0.38 -0.78 -0.44 0.00 0.00 0.00 179.25 178.46 2av3 h ASP 43 N 0.23 0.00 -2.16 0.00 3.32 -1.14 -3.39 116.42 113.28 2av3 h ASP 43 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.48 2av3 h ASP 43 Cb 1.00 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.15 2av3 h ASP 43 CO 0.09 0.47 -0.99 0.59 -1.72 0.00 0.00 179.24 177.68 2av3 n ASN 44 N -3.09 0.61 -0.26 6.45 4.13 -0.10 -4.98 115.26 118.02 2av3 n ASN 44 Ca -0.01 -2.74 0.28 0.00 1.68 0.00 0.00 54.58 53.79 2av3 n ASN 44 Cb 0.75 -0.63 0.66 0.00 -1.54 0.00 0.00 39.78 39.01 2av3 n ASN 44 CO 0.00 0.00 0.00 0.06 0.28 0.00 0.00 177.26 177.60 2av3 h GLN 45 N 4.47 0.14 0.00 3.52 3.07 -1.68 -0.97 115.11 123.66 2av3 h GLN 45 Ca 0.14 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.87 2av3 h GLN 45 Cb 0.85 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.38 2av3 h GLN 45 CO 0.50 0.09 -0.00 1.05 0.09 0.00 0.00 178.83 180.56 2av3 h GLU 46 N 0.14 0.00 0.00 0.06 9.09 -1.92 -1.80 114.58 120.15 2av3 h GLU 46 Ca 0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.92 2av3 h GLU 46 Cb 1.75 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.85 2av3 h GLU 46 CO -0.10 0.00 0.00 1.79 0.05 0.00 0.00 179.01 180.76 2av3 h THR 47 N 0.00 0.00 0.00 -1.06 1.35 -1.51 -2.60 112.91 109.09 2av3 h THR 47 Ca -0.00 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.54 2av3 h THR 47 Cb 0.00 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 2av3 h THR 47 CO 0.00 0.00 -0.05 0.40 -0.25 0.00 0.00 175.52 175.62 2av3 h ILE 48 N 0.00 0.51 -0.17 6.82 2.04 -1.51 -2.28 117.51 122.92 2av3 h ILE 48 Ca 0.00 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.68 2av3 h ILE 48 Cb 0.39 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2av3 h ILE 48 CO 0.00 0.05 0.19 1.23 0.00 0.00 0.00 178.15 179.62 2av3 h GLY 49 N 0.37 0.00 1.47 5.37 0.00 -1.67 -0.20 103.07 108.41 2av3 h GLY 49 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2av3 h GLY 49 CO 0.01 0.00 -0.34 -1.72 0.00 0.00 0.00 176.54 174.49 2av3 n TYR 50 N -3.76 0.38 -1.61 5.60 4.01 -0.86 -4.23 117.16 116.69 2av3 n TYR 50 Ca 0.01 0.11 -0.15 0.00 -0.16 0.00 0.00 57.90 57.71 2av3 n TYR 50 Cb 0.31 -0.58 0.13 0.00 -0.31 0.00 0.00 39.34 38.89 2av3 n TYR 50 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2av3 n PHE 51 N -1.86 1.88 -0.10 -0.72 3.72 -0.09 -4.75 117.46 115.55 2av3 n PHE 51 Ca 0.05 -2.01 0.12 0.00 -0.05 0.00 0.00 57.45 55.56 2av3 n PHE 51 Cb 0.39 -0.60 0.49 0.00 -0.94 0.00 0.00 39.48 38.82 2av3 n PHE 51 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2av3 h LYS 52 N 1.49 0.43 0.00 -1.08 3.64 -1.73 -1.23 116.57 118.09 2av3 h LYS 52 Ca 0.32 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 2av3 h LYS 52 Cb 1.49 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2av3 h LYS 52 CO 0.68 0.29 -0.06 -0.09 -2.27 0.00 0.00 179.45 177.99 2av3 h ARG 53 N 0.45 0.00 0.00 1.90 2.43 -1.94 -2.15 114.38 115.07 2av3 h ARG 53 Ca 0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2av3 h ARG 53 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2av3 h ARG 53 CO -0.09 0.06 0.00 1.28 -1.51 0.00 0.00 179.97 179.72 2av3 n LEU 54 N -3.87 0.52 0.00 3.80 4.77 -0.46 -5.00 117.00 116.76 2av3 n LEU 54 Ca -0.03 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2av3 n LEU 54 Cb 0.15 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2av3 n LEU 54 CO 0.30 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 2av3 n GLY 55 N 0.67 0.91 3.57 -0.72 0.00 -0.81 -4.56 105.19 104.25 2av3 n GLY 55 Ca 0.04 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 2av3 n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2av3 s ASP 56 N -4.00 6.09 0.24 1.61 -1.08 -1.26 -4.78 116.67 113.49 2av3 s ASP 56 Ca 0.00 -1.71 0.20 0.00 -0.52 0.00 0.00 52.55 50.52 2av3 s ASP 56 Cb 0.00 -2.58 0.94 0.00 -1.46 0.00 0.00 42.92 39.83 2av3 s ASP 56 CO 0.00 -1.92 1.61 1.33 0.52 0.00 0.00 175.17 176.71 2av3 n VAL 57 N 7.07 1.02 0.47 1.11 0.24 -1.26 -2.05 118.33 124.93 2av3 n VAL 57 Ca 0.42 0.44 0.10 0.00 -2.04 0.00 0.00 64.34 63.26 2av3 n VAL 57 Cb 0.48 -1.39 0.42 0.00 -1.47 0.00 0.00 33.84 31.88 2av3 n VAL 57 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2av3 n SER 58 N -2.12 0.38 0.15 -1.34 3.41 -1.26 -2.16 113.62 110.68 2av3 n SER 58 Ca 0.01 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 2av3 n SER 58 Cb 0.13 -0.67 0.44 0.00 -0.26 0.00 0.00 64.21 63.85 2av3 n SER 58 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2av3 h GLN 59 N 0.00 0.00 0.00 4.33 4.20 -1.82 -3.48 115.11 118.33 2av3 h GLN 59 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2av3 h GLN 59 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2av3 h GLN 59 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 2av3 n GLY 60 N 0.70 3.38 0.43 3.46 0.00 -0.92 -2.62 105.19 109.63 2av3 n GLY 60 Ca 0.04 -0.18 0.24 0.00 0.00 0.00 0.00 46.02 46.11 2av3 n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2av3 h MET 61 N 0.00 0.27 0.00 1.61 1.85 -1.93 -0.94 114.93 115.79 2av3 h MET 61 Ca 0.00 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.07 2av3 h MET 61 Cb 0.00 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 31.97 2av3 h MET 61 CO 0.00 0.18 -0.02 0.00 -0.40 0.00 0.00 176.91 176.67 2av3 h ALA 62 N 1.58 1.01 -1.64 0.39 0.00 -1.92 -3.42 119.26 115.26 2av3 h ALA 62 Ca 0.51 -0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.84 2av3 h ALA 62 Cb 1.50 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 2av3 h ALA 62 CO -0.16 0.02 0.92 1.21 0.00 0.00 0.00 179.25 181.24 2av3 s ASN 63 N -5.69 6.48 0.25 0.00 3.04 -0.36 -4.92 114.94 113.74 2av3 s ASN 63 Ca 0.00 0.14 -0.03 0.00 0.04 0.00 0.00 52.86 53.01 2av3 s ASN 63 Cb 0.09 -2.54 0.46 0.00 -1.54 0.00 0.00 41.25 37.72 2av3 s ASN 63 CO 0.54 -1.41 1.76 0.44 -3.04 0.00 0.00 177.10 175.39 2av3 h ASP 64 N 9.45 0.46 -0.48 -4.21 3.32 -1.86 0.58 116.42 123.67 2av3 h ASP 64 Ca -0.25 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 2av3 h ASP 64 Cb 1.06 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 2av3 h ASP 64 CO 1.16 0.21 0.03 0.11 -1.72 0.00 0.00 179.24 179.04 2av3 h LYS 65 N 0.58 0.83 -0.55 3.56 1.57 -1.91 0.14 116.57 120.80 2av3 h LYS 65 Ca 0.42 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2av3 h LYS 65 Cb 0.56 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2av3 h LYS 65 CO -0.34 0.86 0.13 1.25 -0.57 0.00 0.00 179.45 180.78 2av3 h LEU 66 N 0.70 0.83 -0.66 2.94 5.85 -1.65 -0.90 115.31 122.42 2av3 h LEU 66 Ca 0.14 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 2av3 h LEU 66 Cb 0.46 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2av3 h LEU 66 CO 0.02 0.85 0.20 -0.09 -0.34 0.00 0.00 178.44 179.08 2av3 h ARG 67 N 0.78 1.02 -0.74 1.25 2.43 -0.68 0.50 114.38 118.94 2av3 h ARG 67 Ca 0.17 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2av3 h ARG 67 Cb 0.34 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 2av3 h ARG 67 CO 0.00 0.89 0.35 0.78 -1.51 0.00 0.00 179.97 180.49 2av3 h GLY 68 N 0.96 1.14 0.89 2.80 0.00 -0.42 -1.29 103.07 107.15 2av3 h GLY 68 Ca 0.21 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 2av3 h GLY 68 CO -0.01 0.54 -0.11 0.84 0.00 0.00 0.00 176.54 177.81 2av3 h HIS 69 N 1.04 0.66 -0.49 5.60 -0.00 -0.82 -2.64 115.15 118.50 2av3 h HIS 69 Ca 0.25 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 2av3 h HIS 69 Cb 0.13 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 2av3 h HIS 69 CO 0.01 0.80 0.31 0.77 -0.00 0.00 0.00 177.93 179.81 2av3 h SER 70 N 0.33 0.57 -0.49 3.26 0.02 -0.66 -0.15 113.55 116.44 2av3 h SER 70 Ca 0.07 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 2av3 h SER 70 Cb 0.61 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 2av3 h SER 70 CO 0.04 0.44 0.06 0.40 -1.14 0.00 0.00 176.83 176.62 2av3 h ILE 71 N 0.65 1.25 -0.43 3.27 2.04 -1.28 -2.86 117.51 120.15 2av3 h ILE 71 Ca 0.18 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 2av3 h ILE 71 Cb -0.04 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2av3 h ILE 71 CO -0.04 0.34 0.09 0.74 0.00 0.00 0.00 178.15 179.28 2av3 h THR 72 N 0.69 1.20 -0.73 -0.27 2.02 -1.19 -2.31 112.91 112.33 2av3 h THR 72 Ca 0.15 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 2av3 h THR 72 Cb 0.43 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2av3 h THR 72 CO 0.01 0.26 0.30 0.25 0.37 0.00 0.00 175.52 176.72 2av3 h LEU 73 N 0.63 0.98 -1.69 2.58 6.46 -0.81 -2.34 115.31 121.12 2av3 h LEU 73 Ca 0.14 -0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.73 2av3 h LEU 73 Cb 0.27 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 2av3 h LEU 73 CO -0.00 0.87 -0.18 0.24 -0.62 0.00 0.00 178.44 178.75 2av3 h MET 74 N 1.05 0.00 0.00 1.25 2.86 -1.21 -1.76 114.93 117.11 2av3 h MET 74 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2av3 h MET 74 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2av3 h MET 74 CO -0.02 0.18 0.00 1.88 1.06 0.00 0.00 176.91 180.00 2av3 h TYR 75 N 0.00 0.00 0.01 -0.22 0.05 -1.29 -0.80 116.97 114.72 2av3 h TYR 75 Ca -0.00 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.51 2av3 h TYR 75 Cb 0.43 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.19 2av3 h TYR 75 CO 0.00 0.00 -1.06 0.00 -1.05 0.00 0.00 178.16 176.05 2av3 h ALA 76 N 2.32 0.13 -0.34 3.88 0.00 -1.24 -1.79 119.26 122.21 2av3 h ALA 76 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 54.91 54.07 2av3 h ALA 76 Cb 0.76 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2av3 h ALA 76 CO 0.00 0.70 -0.34 -0.07 0.00 0.00 0.00 179.25 179.54 2av3 h LEU 77 N 0.38 0.80 -0.75 0.00 3.38 -1.32 -1.30 115.31 116.49 2av3 h LEU 77 Ca -0.13 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.50 2av3 h LEU 77 Cb 1.72 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 42.21 2av3 h LEU 77 CO 0.21 1.07 0.49 -0.61 0.09 0.00 0.00 178.44 179.69 2av3 h GLN 78 N 0.64 0.99 0.09 1.13 5.75 -1.11 -0.12 115.11 122.48 2av3 h GLN 78 Ca 0.07 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 2av3 h GLN 78 Cb 0.88 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 2av3 h GLN 78 CO 0.08 0.66 -0.12 -0.97 -2.65 0.00 0.00 178.83 175.83 2av3 h ASN 79 N 1.02 -0.34 -0.32 -0.69 -0.73 -0.98 -1.40 115.58 112.14 2av3 h ASN 79 Ca 0.27 0.04 0.03 0.00 1.87 0.00 0.00 56.30 58.51 2av3 h ASN 79 Cb -0.11 0.13 -0.03 0.00 0.27 0.00 0.00 38.32 38.58 2av3 h ASN 79 CO -0.06 -0.19 0.14 -0.26 -0.37 0.00 0.00 177.43 176.70 2av3 h PHE 80 N -0.25 0.26 -0.77 0.67 0.04 -0.71 -2.26 116.94 113.91 2av3 h PHE 80 Ca 0.02 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.81 2av3 h PHE 80 Cb 0.26 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.30 2av3 h PHE 80 CO -0.14 0.13 0.50 0.82 -0.60 0.00 0.00 178.31 179.02 2av3 h ILE 81 N 0.30 1.18 0.00 -0.55 1.08 -0.88 -2.02 117.51 116.62 2av3 h ILE 81 Ca 0.14 -0.35 -0.03 0.00 -0.39 0.00 0.00 64.86 64.23 2av3 h ILE 81 Cb 0.07 0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 33.89 2av3 h ILE 81 CO -0.11 0.19 -0.12 0.44 -0.69 0.00 0.00 178.15 177.85 2av3 h ASP 82 N 1.02 0.00 -0.17 1.72 3.32 -0.86 -2.80 116.42 118.65 2av3 h ASP 82 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 2av3 h ASP 82 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2av3 h ASP 82 CO -0.07 0.12 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 2av3 n GLN 83 N -3.61 2.14 -0.32 3.56 1.13 -0.78 -4.58 117.38 114.91 2av3 n GLN 83 Ca -0.02 -1.69 0.15 0.00 -1.94 0.00 0.00 57.00 53.51 2av3 n GLN 83 Cb 0.25 -1.47 0.39 0.00 0.11 0.00 0.00 30.24 29.52 2av3 n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2av3 h LEU 84 N 3.69 0.66 0.00 1.08 3.38 -1.21 -1.57 115.31 121.34 2av3 h LEU 84 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2av3 h LEU 84 Cb 0.80 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2av3 h LEU 84 CO 0.00 0.23 0.00 0.47 0.09 0.00 0.00 178.44 179.23 2av3 n ASP 85 N -4.69 0.00 -3.61 -0.43 8.00 -1.26 -4.36 116.55 110.20 2av3 n ASP 85 Ca 0.23 -0.55 -0.29 0.00 0.71 0.00 0.00 54.79 54.88 2av3 n ASP 85 Cb 0.63 -0.12 -0.13 0.00 -0.02 0.00 0.00 41.12 41.49 2av3 n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2av3 s ASN 86 N -2.23 3.47 0.51 -2.24 3.84 -0.59 -5.00 114.94 112.70 2av3 s ASN 86 Ca 0.35 -2.19 0.25 0.00 0.21 0.00 0.00 52.86 51.48 2av3 s ASN 86 Cb 0.19 -0.73 1.35 0.00 -0.55 0.00 0.00 41.25 41.51 2av3 s ASN 86 CO 0.35 -0.32 1.95 1.55 -2.79 0.00 0.00 177.10 177.84 2av3 h PRO 87 N 7.20 0.08 -0.70 0.43 0.13 -1.76 -0.01 132.00 137.36 2av3 h PRO 87 Ca -0.02 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.05 2av3 h PRO 87 Cb 0.96 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.05 2av3 h PRO 87 CO 0.40 0.05 0.24 -0.44 -0.23 0.00 0.00 178.00 178.02 2av3 h ASP 88 N 0.08 1.01 0.16 1.44 3.32 -1.94 0.32 116.42 120.81 2av3 h ASP 88 Ca 0.33 -0.20 -0.28 0.00 0.02 0.00 0.00 57.03 56.90 2av3 h ASP 88 Cb 1.19 -0.26 0.02 0.00 0.22 0.00 0.00 39.33 40.49 2av3 h ASP 88 CO -0.03 0.94 -1.17 0.44 -1.72 0.00 0.00 179.24 177.70 2av3 h ASP 89 N 1.03 0.82 -0.42 6.45 3.32 -1.50 -2.76 116.42 123.35 2av3 h ASP 89 Ca 0.23 -0.73 0.01 0.00 0.02 0.00 0.00 57.03 56.56 2av3 h ASP 89 Cb 0.28 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2av3 h ASP 89 CO -0.01 1.54 0.27 0.25 -1.72 0.00 0.00 179.24 179.56 2av3 h LEU 90 N 0.29 0.45 -0.59 1.55 5.85 -0.90 -2.11 115.31 119.85 2av3 h LEU 90 Ca -0.16 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2av3 h LEU 90 Cb 1.84 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.74 2av3 h LEU 90 CO 0.22 0.32 0.31 0.58 -0.34 0.00 0.00 178.44 179.54 2av3 h VAL 91 N 0.54 1.20 -0.08 1.05 2.07 -0.98 -1.47 116.25 118.57 2av3 h VAL 91 Ca 0.16 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 2av3 h VAL 91 Cb -0.03 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2av3 h VAL 91 CO -0.05 0.21 -0.36 0.00 0.02 0.00 0.00 177.57 177.39 2av3 h VAL 93 N 0.14 1.12 -0.17 0.00 -1.51 -1.19 -2.48 116.25 112.16 2av3 h VAL 93 Ca 0.02 -2.53 -0.16 0.00 -1.23 0.00 0.00 66.70 62.80 2av3 h VAL 93 Cb 0.71 2.52 0.00 0.00 -2.13 0.00 0.00 31.29 32.39 2av3 h VAL 93 CO 0.05 0.63 -0.50 0.58 -1.23 0.00 0.00 177.57 177.10 2av3 h VAL 94 N 0.00 1.33 -0.08 7.19 2.07 -0.95 -2.09 116.25 123.72 2av3 h VAL 94 Ca -0.01 -1.75 -0.06 0.00 0.82 0.00 0.00 66.70 65.70 2av3 h VAL 94 Cb 1.46 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 2av3 h VAL 94 CO 0.08 0.54 -0.24 -0.33 0.02 0.00 0.00 177.57 177.65 2av3 h GLU 95 N 0.32 0.13 -0.06 1.57 5.08 -1.21 -1.12 114.58 119.29 2av3 h GLU 95 Ca -0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2av3 h GLU 95 Cb 1.12 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2av3 h GLU 95 CO 0.11 0.37 0.02 -0.22 -1.00 0.00 0.00 179.01 178.28 2av3 h LYS 96 N 0.12 0.09 -0.90 2.33 1.63 -1.31 -2.72 116.57 115.81 2av3 h LYS 96 Ca 0.02 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.83 2av3 h LYS 96 Cb 0.49 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.06 2av3 h LYS 96 CO 0.03 0.27 0.58 1.25 -3.45 0.00 0.00 179.45 178.13 2av3 h LEU 97 N -0.11 0.97 -1.43 5.20 7.12 -1.01 -2.75 115.31 123.30 2av3 h LEU 97 Ca 0.02 -0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.00 2av3 h LEU 97 Cb 0.22 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 2av3 h LEU 97 CO -0.00 0.67 0.14 0.00 -0.13 0.00 0.00 178.44 179.12 2av3 h ALA 98 N 1.37 1.55 -0.45 1.25 0.00 -1.00 -3.28 119.26 118.70 2av3 h ALA 98 Ca 0.36 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.23 2av3 h ALA 98 Cb -0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.54 2av3 h ALA 98 CO -0.12 0.35 -0.43 0.28 0.00 0.00 0.00 179.25 179.33 2av3 h VAL 99 N 0.53 0.10 0.00 0.00 2.07 -1.18 0.10 116.25 117.87 2av3 h VAL 99 Ca 0.13 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.58 2av3 h VAL 99 Cb 0.12 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2av3 h VAL 99 CO -0.01 0.00 -0.36 0.78 0.02 0.00 0.00 177.57 178.00 2av3 h ASN 100 N -0.30 0.00 0.58 0.57 2.35 -1.74 -2.36 115.58 114.68 2av3 h ASN 100 Ca 0.15 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.73 2av3 h ASN 100 Cb 0.58 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 2av3 h ASN 100 CO -0.60 0.36 -0.75 0.45 -1.65 0.00 0.00 177.43 175.23 2av3 h HIS 101 N 0.00 0.19 -0.24 1.19 3.86 -1.39 -2.06 115.15 116.70 2av3 h HIS 101 Ca -0.00 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.07 2av3 h HIS 101 Cb 0.73 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 2av3 h HIS 101 CO 0.00 0.83 -0.05 0.82 0.86 0.00 0.00 177.93 180.40 2av3 h ILE 102 N 0.09 1.28 -0.41 2.45 2.04 -0.58 -1.43 117.51 120.94 2av3 h ILE 102 Ca -0.02 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 64.84 2av3 h ILE 102 Cb 1.32 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 2av3 h ILE 102 CO 0.11 0.32 0.27 0.74 0.00 0.00 0.00 178.15 179.59 2av3 h THR 103 N 0.19 1.02 -0.00 -0.27 2.02 -1.34 0.26 112.91 114.80 2av3 h THR 103 Ca 0.06 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2av3 h THR 103 Cb 0.50 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2av3 h THR 103 CO 0.02 0.08 0.00 0.54 0.37 0.00 0.00 175.52 176.53 2av3 n ARG 104 N -4.48 1.01 -3.51 6.66 1.74 -0.78 -4.90 116.66 112.40 2av3 n ARG 104 Ca 0.04 -0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 56.90 2av3 n ARG 104 Cb 0.16 -1.45 0.08 0.00 -1.02 0.00 0.00 32.46 30.23 2av3 n ARG 104 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2av3 n LYS 105 N -0.94 -7.33 -3.41 5.56 5.02 0.93 -4.97 118.16 113.01 2av3 n LYS 105 Ca 0.21 0.80 -0.42 0.00 -2.02 0.00 0.00 58.31 56.89 2av3 n LYS 105 Cb 0.10 -5.75 -0.09 0.00 -0.02 0.00 0.00 35.03 29.26 2av3 n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2av3 s ILE 106 N -3.32 5.18 0.88 -0.18 1.01 -0.57 -5.04 121.20 119.17 2av3 s ILE 106 Ca 0.41 -0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.66 2av3 s ILE 106 Cb -0.18 -3.90 0.12 0.00 0.01 0.00 0.00 42.46 38.51 2av3 s ILE 106 CO 0.70 -0.23 1.13 -0.94 0.00 0.00 0.00 174.94 175.60 2av3 s SER 107 N 1.74 3.73 0.30 3.58 1.04 -1.26 -4.63 113.70 118.21 2av3 s SER 107 Ca 0.09 1.05 0.01 0.00 0.48 0.00 0.00 55.95 57.58 2av3 s SER 107 Cb -0.17 -1.66 0.48 0.00 0.10 0.00 0.00 66.02 64.76 2av3 s SER 107 CO 0.12 -2.42 1.86 0.00 0.98 0.00 0.00 173.24 173.77 2av3 h ALA 108 N -1.40 1.29 -0.40 5.32 0.00 -1.87 -0.70 119.26 121.49 2av3 h ALA 108 Ca -0.50 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.18 2av3 h ALA 108 Cb 1.32 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2av3 h ALA 108 CO 0.61 0.50 0.07 0.00 0.00 0.00 0.00 179.25 180.44 2av3 h ALA 109 N 1.41 0.53 -0.35 0.00 0.00 -1.95 -0.99 119.26 117.92 2av3 h ALA 109 Ca 0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2av3 h ALA 109 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2av3 h ALA 109 CO -0.00 0.23 0.07 1.49 0.00 0.00 0.00 179.25 181.04 2av3 h GLU 110 N 0.51 0.57 -0.65 0.00 4.57 -1.84 -2.77 114.58 114.97 2av3 h GLU 110 Ca 0.12 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2av3 h GLU 110 Cb 0.36 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 2av3 h GLU 110 CO 0.01 0.63 0.42 0.35 -1.18 0.00 0.00 179.01 179.24 2av3 h PHE 111 N 0.42 0.83 0.00 0.92 3.57 -1.00 -1.73 116.94 119.96 2av3 h PHE 111 Ca 0.11 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2av3 h PHE 111 Cb 0.33 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.79 2av3 h PHE 111 CO 0.02 0.54 0.00 0.41 -2.23 0.00 0.00 178.31 177.05 2av3 n GLY 112 N -1.40 -0.83 0.14 2.40 0.00 -0.39 -2.31 105.19 102.80 2av3 n GLY 112 Ca 0.07 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.23 2av3 n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2av3 n LYS 113 N -1.75 0.16 0.15 1.61 5.02 -0.65 -1.83 118.16 120.87 2av3 n LYS 113 Ca 0.01 0.51 0.13 0.00 -2.02 0.00 0.00 58.31 56.95 2av3 n LYS 113 Cb 0.09 -1.89 0.47 0.00 -0.02 0.00 0.00 35.03 33.68 2av3 n LYS 113 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2av3 h ILE 114 N 0.00 0.00 -0.95 -0.18 6.09 -1.68 -3.24 117.51 117.55 2av3 h ILE 114 Ca 0.00 -0.40 -0.00 0.00 -1.37 0.00 0.00 64.86 63.08 2av3 h ILE 114 Cb 0.19 1.27 -0.05 0.00 0.47 0.00 0.00 36.82 38.71 2av3 h ILE 114 CO 0.00 0.00 0.58 0.78 -3.07 0.00 0.00 178.15 176.44 2av3 h ASN 115 N 0.00 1.14 0.01 2.19 -0.26 -1.61 -2.02 115.58 115.02 2av3 h ASN 115 Ca 0.00 -0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.67 2av3 h ASN 115 Cb 0.55 -0.29 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 2av3 h ASN 115 CO 0.00 0.87 -0.01 1.23 -1.06 0.00 0.00 177.43 178.46 2av3 h GLY 116 N 1.31 -0.02 0.86 2.83 0.00 -1.79 -1.23 103.07 105.03 2av3 h GLY 116 Ca 0.34 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.71 2av3 h GLY 116 CO -0.07 -0.01 0.56 -2.55 0.00 0.00 0.00 176.54 174.48 2av3 h PRO 117 N -0.12 1.05 -0.34 4.80 0.11 -1.71 -1.62 132.00 134.17 2av3 h PRO 117 Ca -0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 2av3 h PRO 117 Cb 0.12 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 2av3 h PRO 117 CO 0.00 0.69 0.14 0.82 -0.21 0.00 0.00 178.00 179.45 2av3 h ILE 118 N 1.08 1.18 -0.94 4.15 2.04 -1.21 0.06 117.51 123.86 2av3 h ILE 118 Ca 0.35 -0.53 0.07 0.00 1.00 0.00 0.00 64.86 65.75 2av3 h ILE 118 Cb 0.02 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 2av3 h ILE 118 CO -0.12 0.19 0.59 0.50 0.00 0.00 0.00 178.15 179.31 2av3 h LYS 119 N 0.40 1.02 -0.21 2.37 3.64 -0.77 0.24 116.57 123.26 2av3 h LYS 119 Ca 0.11 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 2av3 h LYS 119 Cb 0.16 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2av3 h LYS 119 CO -0.01 0.68 -0.43 0.87 -2.27 0.00 0.00 179.45 178.28 2av3 h LYS 120 N 1.05 0.67 -0.63 1.90 1.57 -0.87 -1.74 116.57 118.51 2av3 h LYS 120 Ca 0.42 -0.43 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2av3 h LYS 120 Cb 0.23 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2av3 h LYS 120 CO -0.19 1.05 0.24 0.28 -0.57 0.00 0.00 179.45 180.26 2av3 h VAL 121 N 0.37 1.24 -0.30 0.50 2.07 -0.59 -1.44 116.25 118.10 2av3 h VAL 121 Ca 0.01 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2av3 h VAL 121 Cb 1.04 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2av3 h VAL 121 CO 0.10 0.30 0.19 -0.07 0.02 0.00 0.00 177.57 178.10 2av3 h LEU 122 N 0.89 0.36 -1.53 2.57 3.38 -0.94 -2.69 115.31 117.34 2av3 h LEU 122 Ca 0.21 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2av3 h LEU 122 Cb 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2av3 h LEU 122 CO -0.01 0.29 -0.03 0.00 0.09 0.00 0.00 178.44 178.78 2av3 h ALA 123 N 1.08 1.62 0.00 1.53 0.00 -1.03 -0.28 119.26 122.19 2av3 h ALA 123 Ca 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2av3 h ALA 123 Cb -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2av3 h ALA 123 CO -0.02 0.28 -0.02 0.66 0.00 0.00 0.00 179.25 180.15 2av3 h SER 124 N 0.26 0.00 -0.52 0.00 4.64 -0.93 -0.07 113.55 116.93 2av3 h SER 124 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2av3 h SER 124 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2av3 h SER 124 CO 0.01 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 2av3 n LYS 125 N -3.16 3.08 -2.34 4.77 4.76 -0.44 -4.97 118.16 119.86 2av3 n LYS 125 Ca -0.01 -2.53 -0.11 0.00 -2.87 0.00 0.00 58.31 52.79 2av3 n LYS 125 Cb 0.21 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 2av3 n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2av3 n ASN 126 N 0.86 -3.69 -4.42 4.39 3.02 -0.04 -5.02 115.26 110.36 2av3 n ASN 126 Ca 0.20 -0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.29 2av3 n ASN 126 Cb 0.66 -2.83 -0.11 0.00 -0.61 0.00 0.00 39.78 36.89 2av3 n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2av3 s PHE 127 N -2.64 3.23 0.00 3.10 0.08 -0.24 -4.96 117.98 116.54 2av3 s PHE 127 Ca 0.05 -0.72 0.00 0.00 0.12 0.00 0.00 56.93 56.38 2av3 s PHE 127 Cb -0.02 -2.46 0.00 0.00 -0.57 0.00 0.00 43.02 39.97 2av3 s PHE 127 CO 0.06 -0.57 0.00 0.41 -0.10 0.00 0.00 175.22 175.02 2av3 n GLY 128 N 5.04 -1.82 0.38 4.36 0.00 -1.26 -3.22 105.19 108.67 2av3 n GLY 128 Ca -0.12 -1.53 0.18 0.00 0.00 0.00 0.00 46.02 44.55 2av3 n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2av3 h ASP 129 N -0.45 0.57 -0.56 1.61 3.32 -1.98 -1.28 116.42 117.66 2av3 h ASP 129 Ca 0.00 0.08 0.11 0.00 0.02 0.00 0.00 57.03 57.24 2av3 h ASP 129 Cb 0.00 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.44 2av3 h ASP 129 CO 0.00 0.17 0.03 0.50 -1.72 0.00 0.00 179.24 178.21 2av3 h LYS 130 N 0.53 0.14 -0.09 3.56 3.64 -2.00 0.39 116.57 122.75 2av3 h LYS 130 Ca 0.57 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.73 2av3 h LYS 130 Cb 1.21 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2av3 h LYS 130 CO -0.31 0.09 -0.78 1.88 -2.27 0.00 0.00 179.45 178.06 2av3 h TYR 131 N 0.14 0.74 -0.83 1.91 0.05 -1.56 -2.86 116.97 114.57 2av3 h TYR 131 Ca 0.29 -0.34 -0.04 0.00 0.05 0.00 0.00 58.73 58.69 2av3 h TYR 131 Cb 0.44 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 38.04 2av3 h TYR 131 CO -0.32 1.13 0.36 0.00 -1.05 0.00 0.00 178.16 178.28 2av3 h ALA 132 N 0.78 1.07 -0.47 3.88 0.00 -0.99 -1.38 119.26 122.14 2av3 h ALA 132 Ca -0.05 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2av3 h ALA 132 Cb 1.38 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2av3 h ALA 132 CO 0.14 0.67 0.00 -0.91 0.00 0.00 0.00 179.25 179.15 2av3 h ASN 133 N 1.19 0.74 -0.44 0.00 2.35 -0.92 -0.69 115.58 117.81 2av3 h ASN 133 Ca 0.28 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 2av3 h ASN 133 Cb 0.17 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2av3 h ASN 133 CO -0.03 0.81 0.10 0.00 -1.65 0.00 0.00 177.43 176.66 2av3 h ALA 134 N 1.27 0.58 -0.23 -0.83 0.00 -1.19 -2.37 119.26 116.49 2av3 h ALA 134 Ca 0.14 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2av3 h ALA 134 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2av3 h ALA 134 CO 0.02 0.27 -0.20 -1.49 0.00 0.00 0.00 179.25 177.85 2av3 h TRP 135 N 0.58 0.45 -0.31 0.00 4.06 -0.90 -2.11 115.95 117.74 2av3 h TRP 135 Ca 0.14 -0.08 -0.05 0.00 2.06 0.00 0.00 58.89 60.96 2av3 h TRP 135 Cb 0.33 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.36 2av3 h TRP 135 CO 0.02 0.60 -0.01 0.00 -3.56 0.00 0.00 178.44 175.49 2av3 h ALA 136 N 1.42 1.42 -0.13 1.49 0.00 -0.86 -0.92 119.26 121.67 2av3 h ALA 136 Ca 0.06 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2av3 h ALA 136 Cb 0.57 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2av3 h ALA 136 CO 0.04 0.41 -0.41 0.87 0.00 0.00 0.00 179.25 180.16 2av3 h LYS 137 N 0.45 0.28 -0.14 0.00 1.57 -0.87 -0.76 116.57 117.10 2av3 h LYS 137 Ca 0.10 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 2av3 h LYS 137 Cb 0.32 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.63 2av3 h LYS 137 CO 0.01 0.65 -0.54 1.25 -0.57 0.00 0.00 179.45 180.25 2av3 h LEU 138 N 0.23 0.72 -1.62 2.94 5.85 -1.06 -2.96 115.31 119.41 2av3 h LEU 138 Ca 0.02 -0.61 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 2av3 h LEU 138 Cb 0.83 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2av3 h LEU 138 CO 0.07 1.21 0.07 0.58 -0.34 0.00 0.00 178.44 180.03 2av3 h VAL 139 N 0.27 1.10 0.00 1.05 2.07 -1.02 -1.49 116.25 118.24 2av3 h VAL 139 Ca -0.03 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 2av3 h VAL 139 Cb 1.17 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2av3 h VAL 139 CO 0.11 0.13 -0.17 0.00 0.02 0.00 0.00 177.57 177.66 2av3 h ALA 140 N 1.77 1.45 -0.54 1.67 0.00 -0.98 -0.86 119.26 121.77 2av3 h ALA 140 Ca 0.08 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2av3 h ALA 140 Cb 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2av3 h ALA 140 CO -0.01 0.22 -0.11 0.28 0.00 0.00 0.00 179.25 179.63 2av3 h VAL 141 N 0.00 1.27 -0.27 0.00 2.07 -1.19 -1.34 116.25 116.79 2av3 h VAL 141 Ca -0.00 -1.27 -0.11 0.00 0.82 0.00 0.00 66.70 66.14 2av3 h VAL 141 Cb 0.37 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2av3 h VAL 141 CO 0.02 0.45 -0.26 0.58 0.02 0.00 0.00 177.57 178.38 2av3 h VAL 142 N 0.91 1.31 -0.69 2.57 2.07 -1.38 -2.96 116.25 118.07 2av3 h VAL 142 Ca 0.14 -1.43 0.11 0.00 0.82 0.00 0.00 66.70 66.34 2av3 h VAL 142 Cb 0.68 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 2av3 h VAL 142 CO 0.05 0.45 0.46 1.56 0.02 0.00 0.00 177.57 180.11 2av3 h GLN 143 N 0.39 0.50 0.00 1.57 4.20 -0.94 0.62 115.11 121.45 2av3 h GLN 143 Ca 0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2av3 h GLN 143 Cb 0.82 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2av3 h GLN 143 CO 0.07 0.33 0.00 0.00 -0.67 0.00 0.00 178.83 178.56 2av3 h ALA 144 N 1.65 1.00 -0.01 3.87 0.00 -1.07 -2.50 119.26 122.20 2av3 h ALA 144 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2av3 h ALA 144 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2av3 h ALA 144 CO -0.11 0.00 -0.56 0.00 0.00 0.00 0.00 179.25 178.59 2av3 n ALA 145 N -1.99 3.75 1.15 0.00 0.00 0.20 -3.65 120.51 119.97 2av3 n ALA 145 Ca -0.00 -0.55 0.13 0.00 0.00 0.00 0.00 53.44 53.01 2av3 n ALA 145 Cb 0.21 -0.89 0.23 0.00 0.00 0.00 0.00 19.45 18.99 2av3 n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78