#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwi h VAL 3 N 0.00 1.43 -0.63 2.46 3.04 -1.91 -3.04 116.25 117.60 1nwi h VAL 3 Ca 0.00 -2.34 -0.07 0.00 -1.01 0.00 0.00 66.70 63.28 1nwi h VAL 3 Cb 0.00 2.27 -0.03 0.00 -2.01 0.00 0.00 31.29 31.52 1nwi h VAL 3 CO 0.00 0.69 0.13 1.88 -1.01 0.00 0.00 177.57 179.26 1nwi h TYR 4 N 0.18 1.09 -0.18 3.17 0.05 -1.98 -0.59 116.97 118.71 1nwi h TYR 4 Ca -0.04 -0.14 -0.08 0.00 0.05 0.00 0.00 58.73 58.53 1nwi h TYR 4 Cb 1.37 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 1nwi h TYR 4 CO 0.03 0.91 -0.23 -0.44 -1.05 0.00 0.00 178.16 177.39 1nwi h ASP 5 N 0.94 0.31 -0.27 3.88 3.45 -1.99 -0.97 116.42 121.78 1nwi h ASP 5 Ca 0.20 -0.09 -0.10 0.00 0.43 0.00 0.00 57.03 57.46 1nwi h ASP 5 Cb 0.39 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.07 1nwi h ASP 5 CO 0.01 0.55 -0.23 0.00 -1.57 0.00 0.00 179.24 178.00 1nwi h ALA 6 N 1.48 0.39 0.00 3.45 0.00 -1.33 -2.79 119.26 120.45 1nwi h ALA 6 Ca 0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1nwi h ALA 6 Cb 0.57 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1nwi h ALA 6 CO 0.04 0.36 -0.17 0.00 0.00 0.00 0.00 179.25 179.47 1nwi h ALA 7 N 0.70 1.46 0.00 0.00 0.00 -0.75 -1.10 119.26 119.57 1nwi h ALA 7 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nwi h ALA 7 Cb 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1nwi h ALA 7 CO 0.06 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1nwi h ALA 8 N 1.83 1.00 0.00 0.00 0.00 -0.90 -1.98 119.26 119.20 1nwi h ALA 8 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nwi h ALA 8 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1nwi h ALA 8 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.31 1nwi n GLN 9 N -2.47 0.22 -2.62 0.00 1.13 -0.42 -4.43 117.38 108.80 1nwi n GLN 9 Ca 0.01 0.26 -0.42 0.00 -1.94 0.00 0.00 57.00 54.91 1nwi n GLN 9 Cb 0.23 -1.80 -0.01 0.00 0.11 0.00 0.00 30.24 28.77 1nwi n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1nwi s LEU 10 N -4.37 3.87 0.91 1.08 1.43 -0.75 -4.94 118.68 115.90 1nwi s LEU 10 Ca 0.09 -2.11 -0.14 0.00 -1.03 0.00 0.00 54.13 50.93 1nwi s LEU 10 Cb 0.12 -2.55 0.15 0.00 0.03 0.00 0.00 46.19 43.93 1nwi s LEU 10 CO 0.52 -1.26 1.23 0.42 0.23 0.00 0.00 176.35 177.50 1nwi s THR 11 N 4.23 1.98 0.18 5.49 -4.23 -1.26 -4.74 115.64 117.29 1nwi s THR 11 Ca 0.49 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.84 1nwi s THR 11 Cb 0.02 -2.94 0.14 0.00 1.34 0.00 0.00 72.50 71.06 1nwi s THR 11 CO 0.00 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 175.73 1nwi h ALA 12 N -1.45 0.29 -0.44 3.99 0.00 -1.97 0.21 119.26 119.89 1nwi h ALA 12 Ca -0.46 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1nwi h ALA 12 Cb 1.29 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1nwi h ALA 12 CO 0.52 -0.46 0.24 -0.44 0.00 0.00 0.00 179.25 179.11 1nwi h ASP 13 N -0.02 0.54 -0.41 0.00 3.32 -1.99 -1.09 116.42 116.77 1nwi h ASP 13 Ca 0.23 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1nwi h ASP 13 Cb 0.37 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1nwi h ASP 13 CO -0.51 0.47 0.27 0.58 -1.72 0.00 0.00 179.24 178.33 1nwi h VAL 14 N 0.57 1.11 -0.50 -1.35 2.07 -1.73 -1.34 116.25 115.08 1nwi h VAL 14 Ca 0.15 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 1nwi h VAL 14 Cb 0.04 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1nwi h VAL 14 CO -0.03 0.11 0.10 0.11 0.02 0.00 0.00 177.57 177.88 1nwi h LYS 15 N 0.56 0.77 -0.08 1.57 1.57 -0.77 -1.25 116.57 118.93 1nwi h LYS 15 Ca 0.15 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1nwi h LYS 15 Cb -0.05 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1nwi h LYS 15 CO -0.03 0.71 0.02 -0.22 -0.57 0.00 0.00 179.45 179.36 1nwi h LYS 16 N 0.74 0.12 -0.39 3.15 1.63 -0.78 -2.02 116.57 119.02 1nwi h LYS 16 Ca 0.16 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.91 1nwi h LYS 16 Cb 0.31 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 1nwi h LYS 16 CO 0.00 0.29 0.13 -0.44 -3.45 0.00 0.00 179.45 175.98 1nwi h ASP 17 N -0.08 0.51 -0.29 4.20 3.32 -1.01 -0.40 116.42 122.67 1nwi h ASP 17 Ca 0.02 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1nwi h ASP 17 Cb 0.22 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1nwi h ASP 17 CO -0.00 0.49 0.04 -0.07 -1.72 0.00 0.00 179.24 177.98 1nwi h LEU 18 N 0.55 0.46 -0.21 1.55 3.38 -1.06 -1.62 115.31 118.37 1nwi h LEU 18 Ca 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1nwi h LEU 18 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1nwi h LEU 18 CO -0.01 0.61 0.04 0.03 0.09 0.00 0.00 178.44 179.20 1nwi h ARG 19 N 0.29 0.34 -0.50 1.13 3.08 -0.88 0.25 114.38 118.09 1nwi h ARG 19 Ca 0.09 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1nwi h ARG 19 Cb 0.35 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1nwi h ARG 19 CO 0.01 0.48 0.31 -0.44 -1.07 0.00 0.00 179.97 179.25 1nwi h ASP 20 N 0.15 0.51 -0.34 7.04 3.32 -1.06 -0.65 116.42 125.39 1nwi h ASP 20 Ca 0.06 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 1nwi h ASP 20 Cb 0.29 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1nwi h ASP 20 CO 0.00 0.37 -0.26 0.77 -1.72 0.00 0.00 179.24 178.40 1nwi h SER 21 N 0.62 0.82 0.11 6.45 4.64 -1.25 -3.07 113.55 121.87 1nwi h SER 21 Ca 0.20 -0.44 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 1nwi h SER 21 Cb -0.01 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1nwi h SER 21 CO -0.08 1.09 -0.09 -0.25 -0.87 0.00 0.00 176.83 176.63 1nwi h TRP 22 N 0.56 0.00 -0.27 4.77 2.91 -0.58 -1.64 115.95 121.70 1nwi h TRP 22 Ca 0.07 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.11 1nwi h TRP 22 Cb 0.82 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.46 1nwi h TRP 22 CO 0.06 0.09 0.18 -0.22 -1.03 0.00 0.00 178.44 177.53 1nwi h LYS 23 N 0.00 0.28 0.00 2.65 3.64 -1.02 0.18 116.57 122.30 1nwi h LYS 23 Ca -0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1nwi h LYS 23 Cb 0.17 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1nwi h LYS 23 CO 0.01 0.18 -0.47 0.28 -2.27 0.00 0.00 179.45 177.19 1nwi h VAL 24 N 0.28 0.12 0.00 2.00 2.07 -1.42 -3.34 116.25 115.97 1nwi h VAL 24 Ca 0.11 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 1nwi h VAL 24 Cb 0.09 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1nwi h VAL 24 CO -0.02 0.04 -0.23 0.16 0.02 0.00 0.00 177.57 177.53 1nwi h ILE 25 N -1.00 0.84 0.00 4.57 3.07 -1.49 -2.59 117.51 120.90 1nwi h ILE 25 Ca -0.03 -0.92 0.00 0.00 1.55 0.00 0.00 64.86 65.46 1nwi h ILE 25 Cb 0.49 1.55 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 1nwi h ILE 25 CO -0.02 0.23 0.00 0.61 -1.05 0.00 0.00 178.15 177.92 1nwi n GLY 26 N -0.46 -1.49 0.14 0.16 0.00 0.64 -3.32 105.19 100.86 1nwi n GLY 26 Ca -0.01 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.04 1nwi n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nwi h SER 27 N 0.00 0.00 -2.08 1.61 4.64 -1.57 -3.34 113.55 112.80 1nwi h SER 27 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1nwi h SER 27 Cb 0.51 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.19 1nwi h SER 27 CO 0.00 0.00 -0.93 -0.67 -0.87 0.00 0.00 176.83 174.36 1nwi n ASP 28 N -2.47 1.68 -0.25 4.97 2.03 -1.21 -4.96 116.55 116.33 1nwi n ASP 28 Ca 0.05 -3.04 0.08 0.00 0.52 0.00 0.00 54.79 52.40 1nwi n ASP 28 Cb 0.44 -0.64 0.33 0.00 -0.72 0.00 0.00 41.12 40.52 1nwi n ASP 28 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1nwi h LYS 29 N 3.85 0.79 -0.05 -0.67 1.57 -1.73 -0.74 116.57 119.59 1nwi h LYS 29 Ca 0.12 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1nwi h LYS 29 Cb 0.80 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1nwi h LYS 29 CO 0.61 0.52 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.74 1nwi h LYS 30 N 0.81 0.12 0.27 3.15 3.64 -1.92 -1.12 116.57 121.52 1nwi h LYS 30 Ca 0.39 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1nwi h LYS 30 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1nwi h LYS 30 CO -0.16 0.59 -0.13 0.78 -2.27 0.00 0.00 179.45 178.26 1nwi h GLY 31 N -0.33 -0.37 2.00 5.01 0.00 -1.91 -2.71 103.07 104.76 1nwi h GLY 31 Ca 0.01 0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 1nwi h GLY 31 CO 0.01 -0.14 -0.35 3.43 0.00 0.00 0.00 176.54 179.50 1nwi h ASN 32 N -0.67 0.00 -0.20 0.19 2.35 -1.27 -2.10 115.58 113.88 1nwi h ASN 32 Ca -0.04 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 1nwi h ASN 32 Cb 0.47 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1nwi h ASN 32 CO 0.06 0.35 -0.11 1.23 -1.65 0.00 0.00 177.43 177.31 1nwi h GLY 33 N 1.89 0.46 1.27 2.83 0.00 -1.23 -1.35 103.07 106.95 1nwi h GLY 33 Ca -0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 1nwi h GLY 33 CO 0.05 0.38 -0.19 -2.08 0.00 0.00 0.00 176.54 174.70 1nwi h VAL 34 N 0.11 1.27 -0.94 4.60 2.07 -1.43 -2.42 116.25 119.52 1nwi h VAL 34 Ca 0.04 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1nwi h VAL 34 Cb 0.61 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1nwi h VAL 34 CO 0.03 0.44 0.56 0.00 0.02 0.00 0.00 177.57 178.63 1nwi h ALA 35 N 1.04 1.20 -0.26 1.67 0.00 -1.30 0.17 119.26 121.78 1nwi h ALA 35 Ca 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nwi h ALA 35 Cb 0.71 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1nwi h ALA 35 CO 0.05 0.66 0.08 1.25 0.00 0.00 0.00 179.25 181.30 1nwi h LEU 36 N 1.30 0.38 -0.39 0.00 5.85 -0.98 -1.93 115.31 119.54 1nwi h LEU 36 Ca 0.34 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 1nwi h LEU 36 Cb -0.04 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1nwi h LEU 36 CO -0.06 0.48 -0.10 0.24 -0.34 0.00 0.00 178.44 178.65 1nwi h MET 37 N 0.25 0.76 -0.06 1.25 2.86 -1.13 -2.23 114.93 116.64 1nwi h MET 37 Ca 0.08 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.35 1nwi h MET 37 Cb 0.23 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1nwi h MET 37 CO -0.00 0.90 -0.33 1.79 1.06 0.00 0.00 176.91 180.33 1nwi h THR 38 N 0.56 1.26 -0.12 2.22 1.35 -0.96 -1.75 112.91 115.47 1nwi h THR 38 Ca 0.10 -1.22 -0.17 0.00 -0.55 0.00 0.00 66.41 64.57 1nwi h THR 38 Cb 0.62 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 1nwi h THR 38 CO 0.04 0.36 -0.63 0.74 -0.25 0.00 0.00 175.52 175.78 1nwi h THR 39 N 0.10 1.35 -0.26 6.82 2.02 -1.25 -2.23 112.91 119.46 1nwi h THR 39 Ca 0.01 -1.96 -0.02 0.00 0.77 0.00 0.00 66.41 65.21 1nwi h THR 39 Cb 0.63 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 1nwi h THR 39 CO 0.05 0.60 0.07 0.25 0.37 0.00 0.00 175.52 176.85 1nwi h LEU 40 N 0.32 0.40 -1.50 2.58 5.85 -0.91 -0.37 115.31 121.68 1nwi h LEU 40 Ca -0.01 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1nwi h LEU 40 Cb 1.18 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1nwi h LEU 40 CO 0.11 0.52 -0.23 -0.26 -0.34 0.00 0.00 178.44 178.24 1nwi h PHE 41 N 0.26 0.00 0.15 1.25 0.04 -1.29 0.28 116.94 117.63 1nwi h PHE 41 Ca 0.08 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.64 1nwi h PHE 41 Cb 0.27 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.44 1nwi h PHE 41 CO 0.01 0.23 -0.95 0.00 -0.60 0.00 0.00 178.31 177.00 1nwi h ALA 42 N 1.77 -0.06 0.00 2.45 0.00 -1.13 -3.20 119.26 119.09 1nwi h ALA 42 Ca -0.00 -0.77 -0.21 0.00 0.00 0.00 0.00 54.91 53.93 1nwi h ALA 42 Cb 0.55 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1nwi h ALA 42 CO 0.03 0.47 -1.00 -0.44 0.00 0.00 0.00 179.25 178.31 1nwi h ASP 43 N -0.32 0.00 -2.23 0.00 3.32 -0.98 -3.39 116.42 112.81 1nwi h ASP 43 Ca -0.18 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.29 1nwi h ASP 43 Cb 1.70 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.85 1nwi h ASP 43 CO 0.15 0.96 -0.88 0.59 -1.72 0.00 0.00 179.24 178.33 1nwi n ASN 44 N -3.32 1.38 0.14 6.45 4.13 0.99 -4.94 115.26 120.08 1nwi n ASN 44 Ca -0.01 -2.90 0.19 0.00 1.68 0.00 0.00 54.58 53.54 1nwi n ASN 44 Cb 0.93 -0.65 0.78 0.00 -1.54 0.00 0.00 39.78 39.30 1nwi n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1nwi h GLN 45 N 4.48 0.00 0.00 3.52 4.20 -1.74 -1.21 115.11 124.36 1nwi h GLN 45 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1nwi h GLN 45 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1nwi h GLN 45 CO 0.58 0.00 0.00 -0.85 -0.67 0.00 0.00 178.83 177.89 1nwi n GLU 46 N -3.79 0.22 0.01 1.46 0.00 -1.26 -2.16 120.64 115.11 1nwi n GLU 46 Ca 0.05 0.13 0.11 0.00 0.00 0.00 0.00 57.16 57.45 1nwi n GLU 46 Cb 0.48 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.29 1nwi n GLU 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1nwi n THR 47 N -1.22 0.08 -0.29 3.84 -2.24 -0.46 -4.40 114.28 109.59 1nwi n THR 47 Ca 0.06 -0.42 0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1nwi n THR 47 Cb 0.08 0.11 0.45 0.00 -2.10 0.00 0.00 70.33 68.87 1nwi n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1nwi h ILE 48 N 0.00 0.67 -0.17 2.28 2.04 -1.60 -0.86 117.51 119.88 1nwi h ILE 48 Ca 0.00 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.73 1nwi h ILE 48 Cb 0.91 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1nwi h ILE 48 CO 0.00 0.10 0.38 1.23 0.00 0.00 0.00 178.15 179.86 1nwi h GLY 49 N 0.53 0.00 2.00 5.37 0.00 -1.78 0.24 103.07 109.42 1nwi h GLY 49 Ca 0.52 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.71 1nwi h GLY 49 CO -0.26 0.00 -0.65 -0.97 0.00 0.00 0.00 176.54 174.66 1nwi h TYR 50 N 0.00 0.00 -0.94 5.60 0.05 -1.47 -3.31 116.97 116.90 1nwi h TYR 50 Ca 0.08 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 58.22 1nwi h TYR 50 Cb 0.85 0.00 -0.32 0.00 1.01 0.00 0.00 36.73 38.27 1nwi h TYR 50 CO 0.00 0.65 0.48 1.19 -1.05 0.00 0.00 178.16 179.43 1nwi n PHE 51 N -3.44 3.11 0.25 4.88 3.72 0.07 -4.68 117.46 121.36 1nwi n PHE 51 Ca 0.00 -2.82 0.10 0.00 -0.05 0.00 0.00 57.45 54.68 1nwi n PHE 51 Cb 0.73 -1.19 0.65 0.00 -0.94 0.00 0.00 39.48 38.72 1nwi n PHE 51 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1nwi h LYS 52 N 2.02 0.00 0.00 -1.08 1.57 -1.66 -1.89 116.57 115.53 1nwi h LYS 52 Ca 0.55 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1nwi h LYS 52 Cb 1.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1nwi h LYS 52 CO 1.39 0.14 -0.01 -0.09 -0.57 0.00 0.00 179.45 180.31 1nwi h ARG 53 N 0.00 0.00 -0.17 3.15 2.43 -1.92 -2.80 114.38 115.07 1nwi h ARG 53 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1nwi h ARG 53 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1nwi h ARG 53 CO 0.02 0.01 0.00 1.28 -1.51 0.00 0.00 179.97 179.77 1nwi n LEU 54 N -3.12 1.06 0.00 3.80 4.77 -0.71 -5.03 117.00 117.78 1nwi n LEU 54 Ca -0.00 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1nwi n LEU 54 Cb 0.25 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1nwi n LEU 54 CO 0.26 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1nwi n GLY 55 N 0.89 1.80 3.56 -0.72 0.00 -1.06 -4.32 105.19 105.34 1nwi n GLY 55 Ca 0.10 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 1nwi n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nwi s ASN 56 N -4.00 6.28 0.24 1.61 2.47 -1.26 -4.83 114.94 115.44 1nwi s ASN 56 Ca 0.00 -1.12 0.21 0.00 0.42 0.00 0.00 52.86 52.37 1nwi s ASN 56 Cb 0.00 -2.57 0.95 0.00 -1.45 0.00 0.00 41.25 38.18 1nwi s ASN 56 CO 0.00 -1.71 1.64 1.33 -3.72 0.00 0.00 177.10 174.64 1nwi n VAL 57 N 6.87 0.96 0.42 -5.21 0.24 -1.26 -2.34 118.33 118.01 1nwi n VAL 57 Ca 0.27 0.37 0.09 0.00 -2.04 0.00 0.00 64.34 63.03 1nwi n VAL 57 Cb 0.50 -1.31 0.40 0.00 -1.47 0.00 0.00 33.84 31.96 1nwi n VAL 57 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1nwi n SER 58 N -2.14 0.34 0.26 -1.34 3.41 -1.26 -2.28 113.62 110.62 1nwi n SER 58 Ca 0.01 0.59 0.16 0.00 -0.26 0.00 0.00 58.87 59.37 1nwi n SER 58 Cb 0.16 -0.66 0.54 0.00 -0.26 0.00 0.00 64.21 63.99 1nwi n SER 58 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1nwi h GLN 59 N 0.00 0.00 0.00 4.33 4.20 -1.88 -3.48 115.11 118.27 1nwi h GLN 59 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1nwi h GLN 59 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1nwi h GLN 59 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1nwi n GLY 60 N 0.33 2.90 0.43 3.46 0.00 -0.96 -2.85 105.19 108.50 1nwi n GLY 60 Ca 0.02 -0.26 0.24 0.00 0.00 0.00 0.00 46.02 46.01 1nwi n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1nwi h MET 61 N 0.00 0.07 0.00 1.61 1.85 -1.93 -1.32 114.93 115.21 1nwi h MET 61 Ca 0.00 -0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 1nwi h MET 61 Cb 0.00 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 32.01 1nwi h MET 61 CO 0.00 0.05 -0.08 0.00 -0.40 0.00 0.00 176.91 176.47 1nwi h ALA 62 N 1.62 1.05 -1.78 0.39 0.00 -1.95 -3.41 119.26 115.19 1nwi h ALA 62 Ca 0.38 -0.08 -0.57 0.00 0.00 0.00 0.00 54.91 54.64 1nwi h ALA 62 Cb 1.40 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 1nwi h ALA 62 CO -0.03 0.10 0.82 1.21 0.00 0.00 0.00 179.25 181.35 1nwi s ASN 63 N -5.86 6.57 0.47 0.00 3.84 -0.50 -4.90 114.94 114.56 1nwi s ASN 63 Ca -0.00 0.32 0.21 0.00 0.21 0.00 0.00 52.86 53.59 1nwi s ASN 63 Cb 0.10 -2.52 1.18 0.00 -0.55 0.00 0.00 41.25 39.46 1nwi s ASN 63 CO 0.56 -1.21 2.00 -2.24 -2.79 0.00 0.00 177.10 173.43 1nwi h ASP 64 N 9.21 0.00 0.12 -4.21 3.04 -1.86 -0.77 116.42 121.94 1nwi h ASP 64 Ca -0.23 0.00 -0.22 0.00 -3.24 0.00 0.00 57.03 53.33 1nwi h ASP 64 Cb 1.06 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.36 1nwi h ASP 64 CO 1.10 0.18 -0.87 0.11 -2.04 0.00 0.00 179.24 177.73 1nwi h LYS 65 N 0.00 0.57 -0.18 4.15 1.57 -1.90 -2.38 116.57 118.40 1nwi h LYS 65 Ca -0.00 -0.54 -0.19 0.00 -1.87 0.00 0.00 60.65 58.05 1nwi h LYS 65 Cb 0.40 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1nwi h LYS 65 CO 0.02 1.16 -0.64 1.25 -0.57 0.00 0.00 179.45 180.68 1nwi h LEU 66 N 0.36 0.76 -0.78 2.94 5.85 -1.72 -2.63 115.31 120.09 1nwi h LEU 66 Ca -0.07 -0.45 -0.07 0.00 0.84 0.00 0.00 57.88 58.13 1nwi h LEU 66 Cb 1.49 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 1nwi h LEU 66 CO 0.16 1.21 0.15 -0.09 -0.34 0.00 0.00 178.44 179.53 1nwi h ARG 67 N 0.49 1.07 -0.64 1.25 2.43 -1.16 0.70 114.38 118.52 1nwi h ARG 67 Ca -0.01 -0.26 -0.08 0.00 -0.81 0.00 0.00 59.98 58.82 1nwi h ARG 67 Cb 1.23 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1nwi h ARG 67 CO 0.13 0.95 0.07 0.78 -1.51 0.00 0.00 179.97 180.39 1nwi h GLY 68 N 1.06 1.17 0.94 2.80 0.00 -1.37 -1.97 103.07 105.71 1nwi h GLY 68 Ca 0.21 -0.80 -0.11 0.00 0.00 0.00 0.00 47.33 46.63 1nwi h GLY 68 CO 0.00 0.74 -0.24 0.84 0.00 0.00 0.00 176.54 177.88 1nwi h HIS 69 N 1.00 0.79 -0.83 5.60 -0.00 -1.17 -2.49 115.15 118.05 1nwi h HIS 69 Ca 0.19 -0.23 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 1nwi h HIS 69 Cb 0.48 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.68 1nwi h HIS 69 CO 0.04 0.95 0.45 0.77 -0.00 0.00 0.00 177.93 180.13 1nwi h SER 70 N 0.40 1.05 -0.13 3.26 0.02 -0.75 0.31 113.55 117.71 1nwi h SER 70 Ca 0.05 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 1nwi h SER 70 Cb 0.80 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1nwi h SER 70 CO 0.06 0.86 -0.06 0.40 -1.14 0.00 0.00 176.83 176.95 1nwi h ILE 71 N 1.17 1.31 -0.68 3.27 2.04 -1.38 -2.95 117.51 120.28 1nwi h ILE 71 Ca 0.29 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 65.10 1nwi h ILE 71 Cb 0.05 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1nwi h ILE 71 CO -0.04 0.31 0.45 0.74 0.00 0.00 0.00 178.15 179.61 1nwi h THR 72 N -0.08 1.12 -0.91 -0.27 2.02 -1.24 -2.02 112.91 111.53 1nwi h THR 72 Ca 0.03 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1nwi h THR 72 Cb 0.51 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1nwi h THR 72 CO 0.02 0.15 0.55 0.25 0.37 0.00 0.00 175.52 176.86 1nwi h LEU 73 N 0.85 1.10 -1.98 2.58 6.46 -0.83 -2.12 115.31 121.37 1nwi h LEU 73 Ca 0.27 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1nwi h LEU 73 Cb 0.02 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 39.67 1nwi h LEU 73 CO -0.07 0.85 -0.07 0.24 -0.62 0.00 0.00 178.44 178.76 1nwi h MET 74 N 1.26 0.00 0.00 1.25 2.86 -1.20 -1.92 114.93 117.18 1nwi h MET 74 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1nwi h MET 74 Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1nwi h MET 74 CO -0.06 0.07 -0.04 1.88 1.06 0.00 0.00 176.91 179.82 1nwi h TYR 75 N 0.00 0.00 0.09 -0.22 0.05 -1.31 -1.76 116.97 113.82 1nwi h TYR 75 Ca -0.00 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.50 1nwi h TYR 75 Cb 0.33 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.10 1nwi h TYR 75 CO 0.00 0.00 -1.15 0.00 -1.05 0.00 0.00 178.16 175.96 1nwi h ALA 76 N 2.35 0.02 -0.23 3.88 0.00 -1.31 -2.56 119.26 121.40 1nwi h ALA 76 Ca 0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 54.91 54.07 1nwi h ALA 76 Cb 0.83 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1nwi h ALA 76 CO 0.00 0.65 -0.29 -0.07 0.00 0.00 0.00 179.25 179.54 1nwi h LEU 77 N 0.24 0.47 -0.97 0.00 3.38 -1.44 -2.25 115.31 114.75 1nwi h LEU 77 Ca -0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1nwi h LEU 77 Cb 1.83 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.41 1nwi h LEU 77 CO 0.22 0.75 0.48 -0.61 0.09 0.00 0.00 178.44 179.37 1nwi h GLN 78 N 0.40 1.20 -0.35 1.13 5.75 -1.28 -1.78 115.11 120.18 1nwi h GLN 78 Ca 0.05 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.38 1nwi h GLN 78 Cb 0.72 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1nwi h GLN 78 CO 0.05 0.87 0.05 -0.97 -2.65 0.00 0.00 178.83 176.19 1nwi h ASN 79 N 1.21 0.56 -0.66 -0.69 -0.73 -1.05 -2.17 115.58 112.05 1nwi h ASN 79 Ca 0.31 -0.26 -0.02 0.00 1.87 0.00 0.00 56.30 58.19 1nwi h ASN 79 Cb 0.02 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.43 1nwi h ASN 79 CO -0.05 0.68 0.32 -0.26 -0.37 0.00 0.00 177.43 177.75 1nwi h PHE 80 N 0.41 0.95 -0.70 0.67 0.04 -1.03 -2.55 116.94 114.73 1nwi h PHE 80 Ca 0.11 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 1nwi h PHE 80 Cb 0.36 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 1nwi h PHE 80 CO 0.02 0.71 0.20 0.82 -0.60 0.00 0.00 178.31 179.46 1nwi h ILE 81 N 0.91 1.26 0.00 -0.55 1.08 -1.26 -2.57 117.51 116.39 1nwi h ILE 81 Ca 0.23 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 1nwi h ILE 81 Cb 0.11 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 34.38 1nwi h ILE 81 CO -0.03 0.36 0.00 0.44 -0.69 0.00 0.00 178.15 178.23 1nwi h ASP 82 N 1.05 0.00 -0.44 1.72 3.32 -1.11 -2.78 116.42 118.18 1nwi h ASP 82 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1nwi h ASP 82 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1nwi h ASP 82 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1nwi n GLN 83 N -2.80 2.48 0.30 3.56 1.13 -0.98 -4.47 117.38 116.60 1nwi n GLN 83 Ca 0.01 -2.25 0.16 0.00 -1.94 0.00 0.00 57.00 52.98 1nwi n GLN 83 Cb 0.25 -1.51 0.96 0.00 0.11 0.00 0.00 30.24 30.04 1nwi n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1nwi h LEU 84 N 4.25 0.00 -0.49 1.08 3.38 -1.41 -2.43 115.31 119.69 1nwi h LEU 84 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1nwi h LEU 84 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1nwi h LEU 84 CO 0.00 0.00 -0.74 0.44 0.09 0.00 0.00 178.44 178.23 1nwi h ASP 85 N 0.00 0.20 -3.62 -0.43 3.32 -1.84 -3.41 116.42 110.65 1nwi h ASP 85 Ca -0.00 -0.14 -0.64 0.00 0.02 0.00 0.00 57.03 56.27 1nwi h ASP 85 Cb 0.01 -0.06 -0.40 0.00 0.22 0.00 0.00 39.33 39.10 1nwi h ASP 85 CO 0.00 0.86 -0.74 0.21 -1.72 0.00 0.00 179.24 177.86 1nwi s ASN 86 N -6.89 4.55 0.58 6.45 3.84 -0.91 -4.99 114.94 117.57 1nwi s ASN 86 Ca -0.03 -1.93 0.28 0.00 0.21 0.00 0.00 52.86 51.39 1nwi s ASN 86 Cb 0.11 -1.46 1.65 0.00 -0.55 0.00 0.00 41.25 41.00 1nwi s ASN 86 CO 0.80 -0.36 2.14 1.55 -2.79 0.00 0.00 177.10 178.45 1nwi h PRO 87 N 7.73 0.00 -0.46 0.43 0.13 -1.80 -1.21 132.00 136.81 1nwi h PRO 87 Ca -0.08 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.93 1nwi h PRO 87 Cb 1.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1nwi h PRO 87 CO 0.50 0.00 -0.19 -0.44 -0.23 0.00 0.00 178.00 177.64 1nwi h ASP 88 N 0.00 0.93 0.40 1.44 3.32 -1.94 -0.96 116.42 119.62 1nwi h ASP 88 Ca 0.07 -0.34 -0.26 0.00 0.02 0.00 0.00 57.03 56.52 1nwi h ASP 88 Cb 0.35 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.66 1nwi h ASP 88 CO -0.00 1.10 -1.13 0.44 -1.72 0.00 0.00 179.24 177.93 1nwi h ASP 89 N 0.80 0.57 -0.64 6.45 3.32 -1.62 -2.87 116.42 122.43 1nwi h ASP 89 Ca 0.11 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1nwi h ASP 89 Cb 0.74 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 1nwi h ASP 89 CO 0.06 1.36 0.41 0.25 -1.72 0.00 0.00 179.24 179.61 1nwi h LEU 90 N 0.18 0.75 -0.48 1.55 5.85 -1.15 -2.02 115.31 119.98 1nwi h LEU 90 Ca -0.13 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1nwi h LEU 90 Cb 1.81 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 1nwi h LEU 90 CO 0.20 0.56 0.11 0.58 -0.34 0.00 0.00 178.44 179.55 1nwi h VAL 91 N 0.87 1.24 0.00 1.05 2.07 -1.21 -1.89 116.25 118.38 1nwi h VAL 91 Ca 0.23 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 1nwi h VAL 91 Cb -0.07 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1nwi h VAL 91 CO -0.05 0.30 -0.32 0.00 0.02 0.00 0.00 177.57 177.52 1nwi h VAL 93 N 0.00 0.88 -0.02 0.00 -1.51 -1.25 -2.77 116.25 111.57 1nwi h VAL 93 Ca -0.00 -2.36 -0.23 0.00 -1.23 0.00 0.00 66.70 62.87 1nwi h VAL 93 Cb 0.66 2.37 0.01 0.00 -2.13 0.00 0.00 31.29 32.19 1nwi h VAL 93 CO 0.04 0.50 -0.94 0.58 -1.23 0.00 0.00 177.57 176.53 1nwi h VAL 94 N 0.00 1.35 -0.18 7.19 2.07 -1.02 -1.68 116.25 123.97 1nwi h VAL 94 Ca -0.07 -2.31 -0.16 0.00 0.82 0.00 0.00 66.70 64.99 1nwi h VAL 94 Cb 1.54 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 33.63 1nwi h VAL 94 CO 0.07 0.70 -0.53 -0.33 0.02 0.00 0.00 177.57 177.50 1nwi h GLU 95 N 0.32 0.53 -0.31 1.57 5.08 -1.34 -0.70 114.58 119.73 1nwi h GLU 95 Ca -0.09 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1nwi h GLU 95 Cb 1.57 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 1nwi h GLU 95 CO 0.17 0.93 0.07 -0.22 -1.00 0.00 0.00 179.01 178.97 1nwi h LYS 96 N 0.41 0.50 -0.44 2.33 1.63 -1.50 -2.81 116.57 116.70 1nwi h LYS 96 Ca 0.01 -0.12 0.05 0.00 -0.85 0.00 0.00 60.65 59.74 1nwi h LYS 96 Cb 1.07 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.59 1nwi h LYS 96 CO 0.10 0.57 0.16 0.35 -3.45 0.00 0.00 179.45 177.18 1nwi h PHE 97 N 0.34 0.29 -0.66 1.91 3.57 -1.08 -2.71 116.94 118.60 1nwi h PHE 97 Ca 0.10 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1nwi h PHE 97 Cb 0.29 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1nwi h PHE 97 CO 0.01 0.11 0.44 0.00 -2.23 0.00 0.00 178.31 176.64 1nwi h ALA 98 N 1.28 1.57 -0.96 2.41 0.00 -0.95 -3.30 119.26 119.32 1nwi h ALA 98 Ca 0.20 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.18 1nwi h ALA 98 Cb 0.19 -0.25 -0.13 0.00 0.00 0.00 0.00 17.79 17.61 1nwi h ALA 98 CO -0.20 0.38 -0.51 0.28 0.00 0.00 0.00 179.25 179.19 1nwi n VAL 99 N -4.45 -0.61 -0.17 0.00 0.31 -1.02 -0.06 118.33 112.33 1nwi n VAL 99 Ca 0.07 2.30 -0.07 0.00 -0.01 0.00 0.00 64.34 66.63 1nwi n VAL 99 Cb 0.08 -2.89 0.07 0.00 -0.91 0.00 0.00 33.84 30.19 1nwi n VAL 99 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1nwi h ASN 100 N 0.00 0.94 0.40 4.52 2.35 -1.75 -1.98 115.58 120.07 1nwi h ASN 100 Ca 0.20 -0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 1nwi h ASN 100 Cb 0.44 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1nwi h ASN 100 CO -0.91 1.01 -0.41 0.45 -1.65 0.00 0.00 177.43 175.92 1nwi h HIS 101 N 0.88 0.01 -0.32 1.19 3.86 -1.31 -1.87 115.15 117.59 1nwi h HIS 101 Ca 0.16 -0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.19 1nwi h HIS 101 Cb 0.54 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 1nwi h HIS 101 CO 0.03 0.42 -0.49 0.82 0.86 0.00 0.00 177.93 179.57 1nwi h ILE 102 N 0.01 1.27 -0.18 2.45 2.04 -0.20 -0.47 117.51 122.43 1nwi h ILE 102 Ca -0.00 -1.67 -0.03 0.00 1.00 0.00 0.00 64.86 64.16 1nwi h ILE 102 Cb 0.73 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1nwi h ILE 102 CO 0.05 0.55 -0.03 0.74 0.00 0.00 0.00 178.15 179.47 1nwi h THR 103 N 0.71 1.14 -0.02 -0.27 2.02 -0.95 0.35 112.91 115.88 1nwi h THR 103 Ca 0.03 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1nwi h THR 103 Cb 1.09 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1nwi h THR 103 CO 0.11 0.18 0.00 0.54 0.37 0.00 0.00 175.52 176.72 1nwi n ARG 104 N -4.36 1.11 -1.72 6.66 1.74 -0.74 -4.88 116.66 114.47 1nwi n ARG 104 Ca -0.00 -0.16 -0.13 0.00 -0.77 0.00 0.00 57.85 56.79 1nwi n ARG 104 Cb 0.20 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.46 30.27 1nwi n ARG 104 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1nwi n LYS 105 N -0.65 -0.97 -2.45 5.56 4.76 0.11 -4.97 118.16 119.55 1nwi n LYS 105 Ca 0.16 0.84 -0.43 0.00 -2.87 0.00 0.00 58.31 56.01 1nwi n LYS 105 Cb 0.11 -4.96 -0.02 0.00 -1.84 0.00 0.00 35.03 28.32 1nwi n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1nwi s ILE 106 N -2.55 4.32 0.52 -0.18 -1.09 -0.21 -5.02 121.20 116.98 1nwi s ILE 106 Ca 0.00 1.60 0.01 0.00 -2.23 0.00 0.00 60.65 60.03 1nwi s ILE 106 Cb 0.00 -4.03 0.02 0.00 -1.58 0.00 0.00 42.46 36.87 1nwi s ILE 106 CO 0.00 -0.12 0.74 -0.94 -1.23 0.00 0.00 174.94 173.39 1nwi s SER 107 N 1.83 5.48 0.37 3.58 1.04 -1.26 -4.57 113.70 120.17 1nwi s SER 107 Ca 0.54 0.11 0.04 0.00 0.48 0.00 0.00 55.95 57.13 1nwi s SER 107 Cb -0.21 -1.13 0.72 0.00 0.10 0.00 0.00 66.02 65.49 1nwi s SER 107 CO 0.15 -0.98 2.01 0.00 0.98 0.00 0.00 173.24 175.40 1nwi h ALA 108 N 0.18 1.63 -0.75 5.32 0.00 -1.88 -1.14 119.26 122.62 1nwi h ALA 108 Ca -0.44 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1nwi h ALA 108 Cb 1.28 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1nwi h ALA 108 CO 0.54 0.32 0.24 0.00 0.00 0.00 0.00 179.25 180.36 1nwi h ALA 109 N 1.64 0.98 0.89 0.00 0.00 -1.95 -1.82 119.26 119.00 1nwi h ALA 109 Ca 0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1nwi h ALA 109 Cb 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.51 1nwi h ALA 109 CO -0.06 0.65 -0.43 0.93 0.00 0.00 0.00 179.25 180.35 1nwi h GLU 110 N 1.11 -1.16 -0.99 0.00 4.39 -1.63 -3.19 114.58 113.11 1nwi h GLU 110 Ca 0.24 0.08 0.17 0.00 0.34 0.00 0.00 59.36 60.19 1nwi h GLU 110 Cb 0.29 0.26 -0.09 0.00 -0.10 0.00 0.00 28.75 29.11 1nwi h GLU 110 CO -0.01 -0.77 0.62 0.35 -1.16 0.00 0.00 179.01 178.04 1nwi h PHE 111 N -1.25 1.04 0.00 4.33 3.57 -1.22 -1.43 116.94 121.98 1nwi h PHE 111 Ca -0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1nwi h PHE 111 Cb 0.92 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1nwi h PHE 111 CO -0.00 0.30 0.06 0.78 -2.23 0.00 0.00 178.31 177.22 1nwi h GLY 112 N 0.81 0.00 2.00 2.40 0.00 -1.31 -1.76 103.07 105.21 1nwi h GLY 112 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1nwi h GLY 112 CO -0.32 0.00 0.00 0.50 0.00 0.00 0.00 176.54 176.72 1nwi h LYS 113 N 0.00 0.00 0.00 4.80 1.57 -1.36 -2.30 116.57 119.29 1nwi h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nwi h LYS 113 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1nwi h LYS 113 CO 0.00 0.00 0.00 0.97 -0.57 0.00 0.00 179.45 179.85 1nwi h ILE 114 N 0.00 0.00 -0.76 1.86 6.09 -1.52 -3.17 117.51 120.01 1nwi h ILE 114 Ca 0.00 -0.43 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 1nwi h ILE 114 Cb 0.26 1.32 -0.04 0.00 0.47 0.00 0.00 36.82 38.83 1nwi h ILE 114 CO 0.00 0.00 0.48 0.78 -3.07 0.00 0.00 178.15 176.34 1nwi h ASN 115 N 0.00 0.88 0.53 2.19 -0.26 -1.63 -2.23 115.58 115.06 1nwi h ASN 115 Ca 0.00 -0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 1nwi h ASN 115 Cb 0.52 -0.22 0.01 0.00 -1.06 0.00 0.00 38.32 37.56 1nwi h ASN 115 CO 0.00 0.66 -0.25 1.23 -1.06 0.00 0.00 177.43 178.00 1nwi h GLY 116 N 1.04 -0.74 0.56 2.83 0.00 -1.78 -1.68 103.07 103.30 1nwi h GLY 116 Ca 0.27 0.28 0.11 0.00 0.00 0.00 0.00 47.33 47.99 1nwi h GLY 116 CO -0.06 -0.27 0.63 -2.55 0.00 0.00 0.00 176.54 174.29 1nwi h PRO 117 N -0.85 0.98 -0.34 4.80 0.11 -1.72 -1.51 132.00 133.46 1nwi h PRO 117 Ca -0.07 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.94 1nwi h PRO 117 Cb 0.60 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1nwi h PRO 117 CO 0.12 0.65 0.06 0.82 -0.21 0.00 0.00 178.00 179.44 1nwi h ILE 118 N 1.01 1.23 -0.88 4.15 2.04 -1.35 -0.33 117.51 123.39 1nwi h ILE 118 Ca 0.47 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.54 1nwi h ILE 118 Cb 0.42 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 1nwi h ILE 118 CO -0.23 0.27 0.58 0.50 0.00 0.00 0.00 178.15 179.27 1nwi h LYS 119 N 0.40 1.12 -0.33 2.37 3.64 -0.56 -0.35 116.57 122.86 1nwi h LYS 119 Ca 0.11 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.25 1nwi h LYS 119 Cb 0.34 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1nwi h LYS 119 CO 0.01 0.74 -0.45 0.87 -2.27 0.00 0.00 179.45 178.34 1nwi h LYS 120 N 1.15 0.87 -0.51 1.90 1.57 -1.09 -1.43 116.57 119.02 1nwi h LYS 120 Ca 0.33 -0.49 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 1nwi h LYS 120 Cb -0.07 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1nwi h LYS 120 CO -0.09 1.13 0.04 0.28 -0.57 0.00 0.00 179.45 180.24 1nwi h VAL 121 N 0.69 1.26 -0.35 0.50 2.07 -0.71 -1.68 116.25 118.03 1nwi h VAL 121 Ca 0.04 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1nwi h VAL 121 Cb 1.04 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1nwi h VAL 121 CO 0.10 0.36 0.20 -0.07 0.02 0.00 0.00 177.57 178.18 1nwi h LEU 122 N 0.75 0.44 -1.14 2.57 3.38 -1.02 -2.73 115.31 117.56 1nwi h LEU 122 Ca 0.15 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1nwi h LEU 122 Cb 0.46 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1nwi h LEU 122 CO 0.02 0.39 0.59 0.00 0.09 0.00 0.00 178.44 179.52 1nwi h ALA 123 N 1.07 1.44 0.00 1.53 0.00 -1.04 0.63 119.26 122.89 1nwi h ALA 123 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nwi h ALA 123 Cb 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1nwi h ALA 123 CO -0.02 0.46 0.00 0.66 0.00 0.00 0.00 179.25 180.35 1nwi h SER 124 N 1.11 0.00 -0.40 0.00 4.64 -1.00 -0.97 113.55 116.93 1nwi h SER 124 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1nwi h SER 124 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1nwi h SER 124 CO -0.11 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.14 1nwi n LYS 125 N -2.53 3.47 -1.23 4.77 4.76 0.06 -4.95 118.16 122.51 1nwi n LYS 125 Ca 0.00 -2.82 -0.08 0.00 -2.87 0.00 0.00 58.31 52.55 1nwi n LYS 125 Cb 0.18 -1.87 -0.03 0.00 -1.84 0.00 0.00 35.03 31.47 1nwi n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1nwi n ASN 126 N 0.11 -4.02 -4.66 4.39 3.02 -0.37 -5.02 115.26 108.71 1nwi n ASN 126 Ca 0.22 0.19 -0.36 0.00 -0.03 0.00 0.00 54.58 54.60 1nwi n ASN 126 Cb 0.90 -2.21 -0.09 0.00 -0.61 0.00 0.00 39.78 37.77 1nwi n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1nwi s PHE 127 N -2.26 3.32 0.00 3.10 0.40 -0.28 -4.97 117.98 117.29 1nwi s PHE 127 Ca 0.00 0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.53 1nwi s PHE 127 Cb 0.00 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.31 1nwi s PHE 127 CO 0.00 0.11 0.00 0.41 0.70 0.00 0.00 175.22 176.44 1nwi n GLY 128 N 4.05 1.15 0.33 4.36 0.00 -1.26 -2.83 105.19 110.99 1nwi n GLY 128 Ca -0.15 -1.98 -0.02 0.00 0.00 0.00 0.00 46.02 43.86 1nwi n GLY 128 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nwi n ASP 129 N -1.99 -0.60 -0.31 1.61 9.92 -1.26 -0.65 116.55 123.27 1nwi n ASP 129 Ca 0.00 1.48 0.16 0.00 -0.53 0.00 0.00 54.79 55.90 1nwi n ASP 129 Cb 0.00 -0.32 0.34 0.00 -0.64 0.00 0.00 41.12 40.51 1nwi n ASP 129 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1nwi h LYS 130 N 0.00 0.23 0.01 -1.24 3.64 -1.99 0.22 116.57 117.44 1nwi h LYS 130 Ca 0.27 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.40 1nwi h LYS 130 Cb 0.48 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1nwi h LYS 130 CO -0.83 0.15 -0.98 1.88 -2.27 0.00 0.00 179.45 177.39 1nwi h TYR 131 N 0.24 0.67 -0.58 1.91 0.05 -1.23 -2.55 116.97 115.47 1nwi h TYR 131 Ca 0.61 -0.37 -0.07 0.00 0.05 0.00 0.00 58.73 58.94 1nwi h TYR 131 Cb 1.28 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.93 1nwi h TYR 131 CO -0.20 1.20 0.08 0.00 -1.05 0.00 0.00 178.16 178.20 1nwi h ALA 132 N 0.67 1.05 -0.59 3.88 0.00 -0.47 -2.02 119.26 121.78 1nwi h ALA 132 Ca -0.09 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1nwi h ALA 132 Cb 1.63 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1nwi h ALA 132 CO 0.17 0.61 0.01 -0.91 0.00 0.00 0.00 179.25 179.13 1nwi h ASN 133 N 0.89 1.01 -0.37 0.00 -0.26 -0.67 -1.66 115.58 114.50 1nwi h ASN 133 Ca 0.18 -0.30 -0.00 0.00 -0.56 0.00 0.00 56.30 55.62 1nwi h ASN 133 Cb 0.41 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.38 1nwi h ASN 133 CO 0.01 1.06 0.23 0.00 -1.06 0.00 0.00 177.43 177.67 1nwi h ALA 134 N 0.98 0.48 0.00 -0.83 0.00 -1.11 -2.23 119.26 116.56 1nwi h ALA 134 Ca 0.17 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1nwi h ALA 134 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1nwi h ALA 134 CO 0.03 -0.04 -0.31 -1.49 0.00 0.00 0.00 179.25 177.44 1nwi h TRP 135 N 0.49 0.00 -0.06 0.00 4.06 -1.23 -2.31 115.95 116.91 1nwi h TRP 135 Ca 0.14 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.02 1nwi h TRP 135 Cb -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 1nwi h TRP 135 CO -0.04 0.31 -0.26 0.00 -3.56 0.00 0.00 178.44 174.89 1nwi h ALA 136 N 1.69 1.47 -0.06 1.49 0.00 -0.71 -1.80 119.26 121.35 1nwi h ALA 136 Ca -0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1nwi h ALA 136 Cb 0.66 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1nwi h ALA 136 CO 0.04 0.38 -0.67 0.87 0.00 0.00 0.00 179.25 179.87 1nwi h LYS 137 N 0.09 0.25 -0.26 0.00 1.57 -1.04 -2.10 116.57 115.09 1nwi h LYS 137 Ca 0.01 -0.20 -0.19 0.00 -1.87 0.00 0.00 60.65 58.41 1nwi h LYS 137 Cb 0.51 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1nwi h LYS 137 CO 0.04 0.83 -0.58 1.25 -0.57 0.00 0.00 179.45 180.42 1nwi h LEU 138 N 0.18 0.95 -1.28 2.94 5.85 -1.33 -3.00 115.31 119.63 1nwi h LEU 138 Ca -0.02 -0.55 -0.06 0.00 0.84 0.00 0.00 57.88 58.09 1nwi h LEU 138 Cb 1.21 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1nwi h LEU 138 CO 0.11 1.33 -0.11 0.58 -0.34 0.00 0.00 178.44 180.01 1nwi h VAL 139 N 0.61 1.20 -0.48 1.05 2.07 -1.30 -2.09 116.25 117.32 1nwi h VAL 139 Ca -0.00 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1nwi h VAL 139 Cb 1.20 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1nwi h VAL 139 CO 0.13 0.28 0.28 0.00 0.02 0.00 0.00 177.57 178.27 1nwi h ALA 140 N 1.55 1.59 -0.61 1.67 0.00 -1.24 -0.17 119.26 122.06 1nwi h ALA 140 Ca 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1nwi h ALA 140 Cb 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1nwi h ALA 140 CO 0.02 0.35 0.28 0.28 0.00 0.00 0.00 179.25 180.19 1nwi h VAL 141 N 0.65 1.22 -0.51 0.00 2.07 -1.30 -0.83 116.25 117.55 1nwi h VAL 141 Ca 0.17 -0.63 -0.11 0.00 0.82 0.00 0.00 66.70 66.95 1nwi h VAL 141 Cb -0.01 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1nwi h VAL 141 CO -0.03 0.25 -0.11 0.58 0.02 0.00 0.00 177.57 178.28 1nwi h VAL 142 N 0.84 1.27 -0.88 2.57 2.07 -1.25 -3.04 116.25 117.84 1nwi h VAL 142 Ca 0.21 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1nwi h VAL 142 Cb 0.14 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1nwi h VAL 142 CO -0.02 0.44 0.50 1.56 0.02 0.00 0.00 177.57 180.06 1nwi h GLN 143 N 0.85 1.21 0.00 1.57 4.20 -0.69 -1.40 115.11 120.85 1nwi h GLN 143 Ca 0.13 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1nwi h GLN 143 Cb 0.67 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1nwi h GLN 143 CO 0.05 0.88 0.00 0.00 -0.67 0.00 0.00 178.83 179.08 1nwi h ALA 144 N 1.27 1.00 -0.01 3.87 0.00 -1.04 -1.34 119.26 123.01 1nwi h ALA 144 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1nwi h ALA 144 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nwi h ALA 144 CO -0.05 0.00 -0.51 0.00 0.00 0.00 0.00 179.25 178.69 1nwi n ALA 145 N -1.93 3.64 1.30 0.00 0.00 -0.55 -4.56 120.51 118.42 1nwi n ALA 145 Ca -0.01 -0.53 0.13 0.00 0.00 0.00 0.00 53.44 53.04 1nwi n ALA 145 Cb 0.15 -0.93 0.36 0.00 0.00 0.00 0.00 19.45 19.03 1nwi n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78