#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 0.67 -0.19 2.46 3.04 -1.90 -2.35 116.25 117.98 1nwi h VAL 3 Ca 0.00 -0.73 -0.19 0.00 -1.01 0.00 0.00 66.70 64.77 1nwi h VAL 3 Cb 0.00 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1nwi h VAL 3 CO 0.00 0.17 -0.64 1.88 -1.01 0.00 0.00 177.57 177.97 1nwi h TYR 4 N 0.00 0.89 -0.28 3.17 0.05 -1.97 -2.00 116.97 116.83 1nwi h TYR 4 Ca -0.00 -0.35 -0.12 0.00 0.05 0.00 0.00 58.73 58.31 1nwi h TYR 4 Cb 0.44 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 1nwi h TYR 4 CO 0.00 1.14 -0.32 -0.44 -1.05 0.00 0.00 178.16 177.50 1nwi h ASP 5 N 0.50 0.62 -0.30 3.88 3.32 -1.88 -2.34 116.42 120.22 1nwi h ASP 5 Ca -0.01 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 56.67 1nwi h ASP 5 Cb 1.23 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1nwi h ASP 5 CO 0.13 0.90 -0.23 0.00 -1.72 0.00 0.00 179.24 178.31 1nwi h ALA 6 N 1.14 0.86 0.00 3.45 0.00 -1.41 -2.41 119.26 120.89 1nwi h ALA 6 Ca 0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1nwi h ALA 6 Cb 0.80 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1nwi h ALA 6 CO 0.07 0.64 -0.13 0.00 0.00 0.00 0.00 179.25 179.82 1nwi h ALA 7 N 1.05 1.23 0.00 0.00 0.00 -1.05 -1.76 119.26 118.73 1nwi h ALA 7 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nwi h ALA 7 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1nwi h ALA 7 CO 0.06 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1nwi h ALA 8 N 1.87 1.00 0.00 0.00 0.00 -0.90 -2.01 119.26 119.23 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 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1nwi h ALA 8 CO 0.02 0.00 0.00 1.96 0.00 0.00 0.00 179.25 181.23 1nwi h GLN 9 N 0.00 0.00 -4.99 0.00 1.08 -1.37 -3.37 115.11 106.46 1nwi h GLN 9 Ca 0.00 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.55 1nwi h GLN 9 Cb 0.44 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.82 1nwi h GLN 9 CO 0.00 0.00 2.44 1.28 -0.95 0.00 0.00 178.83 181.60 1nwi n LEU 10 N -3.06 5.35 -4.73 1.46 4.77 -0.76 -4.91 117.00 115.13 1nwi n LEU 10 Ca 0.01 -3.81 -0.29 0.00 -0.03 0.00 0.00 56.01 51.90 1nwi n LEU 10 Cb 0.35 -1.65 0.16 0.00 -2.33 0.00 0.00 43.42 39.96 1nwi n LEU 10 CO 0.28 0.23 0.67 0.42 -1.33 0.00 0.00 177.39 177.67 1nwi s THR 11 N 4.69 2.00 0.35 -5.08 -4.23 -1.26 -4.71 115.64 107.39 1nwi s THR 11 Ca 0.53 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.12 1nwi s THR 11 Cb 0.08 -2.61 0.31 0.00 1.34 0.00 0.00 72.50 71.62 1nwi s THR 11 CO 0.03 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 175.99 1nwi h ALA 12 N -1.74 1.78 -0.27 3.99 0.00 -1.96 -0.86 119.26 120.20 1nwi h ALA 12 Ca -0.53 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 1nwi h ALA 12 Cb 1.33 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1nwi h ALA 12 CO 0.60 0.00 -0.13 -0.44 0.00 0.00 0.00 179.25 179.27 1nwi h ASP 13 N 0.74 0.58 -0.66 0.00 3.32 -1.98 -2.27 116.42 116.16 1nwi h ASP 13 Ca 0.43 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1nwi h ASP 13 Cb 0.62 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1nwi h ASP 13 CO -0.20 0.86 0.27 0.58 -1.72 0.00 0.00 179.24 179.03 1nwi h VAL 14 N 0.30 1.24 -0.13 -1.35 2.07 -1.68 -1.90 116.25 114.81 1nwi h VAL 14 Ca 0.06 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1nwi h VAL 14 Cb 0.64 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1nwi h VAL 14 CO 0.04 0.29 -0.21 0.11 0.02 0.00 0.00 177.57 177.82 1nwi h LYS 15 N 0.93 0.22 -0.29 1.57 1.57 -1.17 -0.78 116.57 118.62 1nwi h LYS 15 Ca 0.22 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1nwi h LYS 15 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1nwi h LYS 15 CO -0.02 0.43 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.00 1nwi h LYS 16 N 0.20 0.56 -0.13 3.15 1.63 -0.93 -1.29 116.57 119.76 1nwi h LYS 16 Ca 0.04 -0.21 -0.09 0.00 -0.85 0.00 0.00 60.65 59.54 1nwi h LYS 16 Cb 0.49 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1nwi h LYS 16 CO 0.03 0.75 -0.32 -0.44 -3.45 0.00 0.00 179.45 176.03 1nwi h ASP 17 N 0.32 0.25 -0.14 4.20 3.32 -0.97 -1.59 116.42 121.80 1nwi h ASP 17 Ca 0.07 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1nwi h ASP 17 Cb 0.54 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 1nwi h ASP 17 CO 0.03 0.56 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.95 1nwi h LEU 18 N 0.21 0.32 -0.18 1.55 3.38 -0.97 -2.41 115.31 117.21 1nwi h LEU 18 Ca 0.03 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1nwi h LEU 18 Cb 0.67 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1nwi h LEU 18 CO 0.05 0.68 0.08 0.03 0.09 0.00 0.00 178.44 179.37 1nwi h ARG 19 N -0.04 0.27 -0.34 1.13 3.08 -1.10 0.97 114.38 118.36 1nwi h ARG 19 Ca 0.03 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.07 1nwi h ARG 19 Cb 0.57 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1nwi h ARG 19 CO 0.02 0.33 0.13 -0.44 -1.07 0.00 0.00 179.97 178.95 1nwi h ASP 20 N 0.15 0.16 -0.41 7.04 3.32 -1.34 -0.36 116.42 124.98 1nwi h ASP 20 Ca 0.06 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 1nwi h ASP 20 Cb 0.16 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1nwi h ASP 20 CO -0.01 0.13 -0.26 0.77 -1.72 0.00 0.00 179.24 178.15 1nwi h SER 21 N 0.28 0.94 -0.01 6.45 4.64 -1.37 -3.05 113.55 121.44 1nwi h SER 21 Ca 0.15 -0.42 -0.05 0.00 -0.47 0.00 0.00 61.79 60.99 1nwi h SER 21 Cb 0.11 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 1nwi h SER 21 CO -0.14 1.16 -0.12 -0.25 -0.87 0.00 0.00 176.83 176.62 1nwi h TRP 22 N 0.73 0.29 -0.19 4.77 2.91 -0.52 -1.26 115.95 122.67 1nwi h TRP 22 Ca 0.08 -0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.13 1nwi h TRP 22 Cb 0.84 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.40 1nwi h TRP 22 CO 0.06 0.40 0.18 -0.22 -1.03 0.00 0.00 178.44 177.83 1nwi h LYS 23 N 0.26 0.00 0.00 2.65 3.64 -0.95 0.13 116.57 122.31 1nwi h LYS 23 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1nwi h LYS 23 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1nwi h LYS 23 CO 0.02 0.00 -0.59 0.28 -2.27 0.00 0.00 179.45 176.89 1nwi n VAL 24 N -4.03 1.31 0.31 2.00 0.31 -0.55 -3.95 118.33 113.73 1nwi n VAL 24 Ca 0.02 0.22 0.20 0.00 -0.01 0.00 0.00 64.34 64.77 1nwi n VAL 24 Cb 0.31 -2.30 0.95 0.00 -0.91 0.00 0.00 33.84 31.89 1nwi n VAL 24 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1nwi h ILE 25 N -0.91 0.06 -0.00 2.52 3.07 -1.38 -1.67 117.51 119.20 1nwi h ILE 25 Ca 0.00 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 66.14 1nwi h ILE 25 Cb 0.59 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 1nwi h ILE 25 CO 0.00 0.01 -0.28 0.61 -1.05 0.00 0.00 178.15 177.44 1nwi n GLY 26 N -0.57 -0.94 0.24 0.16 0.00 0.45 -3.77 105.19 100.75 1nwi n GLY 26 Ca -0.01 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 0.61 0.00 -2.43 1.61 4.64 -1.42 -3.35 113.55 113.21 1nwi h SER 27 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 1nwi h SER 27 Cb 0.47 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.18 1nwi h SER 27 CO 0.00 0.00 -0.94 -0.67 -0.87 0.00 0.00 176.83 174.35 1nwi n ASP 28 N -2.98 -0.17 -0.18 4.97 2.03 -1.25 -4.99 116.55 113.99 1nwi n ASP 28 Ca 0.02 -2.45 -0.02 0.00 0.52 0.00 0.00 54.79 52.86 1nwi n ASP 28 Cb 0.38 -0.57 0.19 0.00 -0.72 0.00 0.00 41.12 40.41 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 5.60 0.92 -0.02 -0.67 1.57 -1.76 -0.84 116.57 121.37 1nwi h LYS 29 Ca 0.26 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1nwi h LYS 29 Cb 0.89 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 1nwi h LYS 29 CO 0.40 0.75 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.79 1nwi h LYS 30 N 0.91 0.05 0.39 3.15 3.64 -1.91 0.11 116.57 122.91 1nwi h LYS 30 Ca 0.22 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1nwi h LYS 30 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1nwi h LYS 30 CO -0.02 0.56 -0.19 0.78 -2.27 0.00 0.00 179.45 178.31 1nwi h GLY 31 N -0.46 -0.55 2.00 5.01 0.00 -1.95 -2.14 103.07 104.98 1nwi h GLY 31 Ca 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.43 1nwi h GLY 31 CO 0.01 -0.20 -0.50 3.43 0.00 0.00 0.00 176.54 179.27 1nwi h ASN 32 N -0.58 0.00 -0.43 0.19 2.35 -1.27 -2.57 115.58 113.28 1nwi h ASN 32 Ca -0.05 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 1nwi h ASN 32 Cb 0.44 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1nwi h ASN 32 CO 0.09 0.50 -0.01 1.23 -1.65 0.00 0.00 177.43 177.59 1nwi h GLY 33 N 2.52 0.82 1.51 2.83 0.00 -0.73 -1.79 103.07 108.24 1nwi h GLY 33 Ca -0.01 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 46.59 1nwi h GLY 33 CO 0.07 0.56 -0.36 -2.08 0.00 0.00 0.00 176.54 174.73 1nwi h VAL 34 N 0.60 1.29 -0.42 4.60 2.07 -1.36 -2.91 116.25 120.12 1nwi h VAL 34 Ca 0.12 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 1nwi h VAL 34 Cb 0.50 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1nwi h VAL 34 CO 0.02 0.47 0.24 0.00 0.02 0.00 0.00 177.57 178.33 1nwi h ALA 35 N 1.15 0.53 -0.15 1.67 0.00 -1.22 -1.11 119.26 120.14 1nwi h ALA 35 Ca 0.05 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nwi h ALA 35 Cb 0.84 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1nwi h ALA 35 CO 0.07 0.04 0.06 -0.07 0.00 0.00 0.00 179.25 179.35 1nwi h LEU 36 N 0.55 0.07 -0.27 0.00 3.38 -1.23 -1.38 115.31 116.44 1nwi h LEU 36 Ca 0.15 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1nwi h LEU 36 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1nwi h LEU 36 CO -0.03 0.06 0.09 0.24 0.09 0.00 0.00 178.44 178.90 1nwi h MET 37 N 0.13 0.41 -0.12 1.13 2.86 -1.35 -1.39 114.93 116.60 1nwi h MET 37 Ca 0.06 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1nwi h MET 37 Cb 0.03 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1nwi h MET 37 CO -0.06 0.46 -0.24 1.79 1.06 0.00 0.00 176.91 179.93 1nwi h THR 38 N 0.27 1.22 -0.25 2.22 1.35 -1.16 -1.61 112.91 114.96 1nwi h THR 38 Ca 0.09 -1.04 -0.16 0.00 -0.55 0.00 0.00 66.41 64.74 1nwi h THR 38 Cb 0.22 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1nwi h THR 38 CO -0.00 0.31 -0.51 0.74 -0.25 0.00 0.00 175.52 175.81 1nwi h THR 39 N 0.18 1.30 -0.26 6.82 2.02 -1.09 -1.73 112.91 120.14 1nwi h THR 39 Ca 0.03 -1.72 -0.01 0.00 0.77 0.00 0.00 66.41 65.48 1nwi h THR 39 Cb 0.53 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1nwi h THR 39 CO 0.04 0.55 0.12 0.25 0.37 0.00 0.00 175.52 176.85 1nwi h LEU 40 N 0.54 0.35 -1.11 2.58 5.85 -0.72 -0.73 115.31 122.08 1nwi h LEU 40 Ca 0.02 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1nwi h LEU 40 Cb 1.07 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1nwi h LEU 40 CO 0.10 0.39 -0.13 -0.26 -0.34 0.00 0.00 178.44 178.20 1nwi h PHE 41 N 0.29 0.51 -0.07 1.25 0.04 -1.27 0.35 116.94 118.04 1nwi h PHE 41 Ca 0.09 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1nwi h PHE 41 Cb 0.14 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 1nwi h PHE 41 CO -0.02 0.59 -0.09 0.00 -0.60 0.00 0.00 178.31 178.20 1nwi h ALA 42 N 1.43 0.10 0.18 2.45 0.00 -1.02 -2.83 119.26 119.57 1nwi h ALA 42 Ca 0.08 -0.30 -0.30 0.00 0.00 0.00 0.00 54.91 54.39 1nwi h ALA 42 Cb 0.49 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.28 1nwi h ALA 42 CO 0.03 -0.06 -1.34 -0.44 0.00 0.00 0.00 179.25 177.44 1nwi h ASP 43 N -0.27 0.64 -2.68 0.00 3.32 -1.09 -3.39 116.42 112.94 1nwi h ASP 43 Ca 0.01 -0.67 -0.61 0.00 0.02 0.00 0.00 57.03 55.78 1nwi h ASP 43 Cb 0.62 -0.21 -0.42 0.00 0.22 0.00 0.00 39.33 39.55 1nwi h ASP 43 CO 0.02 1.52 -0.63 0.59 -1.72 0.00 0.00 179.24 179.02 1nwi n ASN 44 N -3.63 2.93 0.31 6.45 4.13 0.12 -4.93 115.26 120.64 1nwi n ASN 44 Ca -0.12 -3.22 0.19 0.00 1.68 0.00 0.00 54.58 53.11 1nwi n ASN 44 Cb 1.05 -0.71 1.06 0.00 -1.54 0.00 0.00 39.78 39.65 1nwi n ASN 44 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 1nwi h GLN 45 N 4.92 0.00 0.00 3.52 4.15 -1.67 -2.13 115.11 123.90 1nwi h GLN 45 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1nwi h GLN 45 Cb 0.74 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.43 1nwi h GLN 45 CO 0.73 0.00 0.00 1.05 -1.93 0.00 0.00 178.83 178.68 1nwi h GLU 46 N 0.00 0.00 0.00 1.69 9.09 -1.92 -2.77 114.58 120.67 1nwi h GLU 46 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1nwi h GLU 46 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 1nwi h GLU 46 CO -0.00 0.00 -0.06 0.25 0.05 0.00 0.00 179.01 179.25 1nwi n THR 47 N -2.39 0.49 0.18 -1.06 -2.24 -0.80 -3.59 114.28 104.87 1nwi n THR 47 Ca 0.02 -0.24 0.12 0.00 -2.27 0.00 0.00 64.05 61.68 1nwi n THR 47 Cb 0.26 -0.52 0.66 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.91 -0.37 2.28 2.04 -1.67 -1.83 117.51 118.87 1nwi h ILE 48 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1nwi h ILE 48 Cb 0.71 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1nwi h ILE 48 CO 0.00 0.00 0.25 1.23 0.00 0.00 0.00 178.15 179.63 1nwi h GLY 49 N 0.00 0.27 2.00 5.37 0.00 -1.79 -1.78 103.07 107.14 1nwi h GLY 49 Ca 0.08 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 1nwi h GLY 49 CO -0.00 0.07 -0.45 -0.97 0.00 0.00 0.00 176.54 175.18 1nwi h TYR 50 N 0.22 0.00 -0.93 5.60 0.05 -1.59 -3.21 116.97 117.10 1nwi h TYR 50 Ca 0.17 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.50 1nwi h TYR 50 Cb 0.38 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 37.86 1nwi h TYR 50 CO -0.00 0.45 0.56 1.19 -1.05 0.00 0.00 178.16 179.31 1nwi n PHE 51 N -3.81 2.90 -0.26 4.88 3.72 -0.67 -4.64 117.46 119.57 1nwi n PHE 51 Ca -0.01 -1.71 0.21 0.00 -0.05 0.00 0.00 57.45 55.89 1nwi n PHE 51 Cb 0.50 -0.88 0.53 0.00 -0.94 0.00 0.00 39.48 38.69 1nwi n PHE 51 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1nwi h LYS 52 N 1.36 0.36 -0.26 -1.08 2.10 -1.58 0.51 116.57 117.98 1nwi h LYS 52 Ca 0.55 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 59.18 1nwi h LYS 52 Cb 2.73 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 33.97 1nwi h LYS 52 CO 1.01 0.24 0.16 -0.09 -2.00 0.00 0.00 179.45 178.77 1nwi h ARG 53 N 0.37 0.35 0.00 0.07 2.43 -1.90 -2.32 114.38 113.37 1nwi h ARG 53 Ca 0.50 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1nwi h ARG 53 Cb 1.33 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1nwi h ARG 53 CO -0.19 0.24 0.00 1.28 -1.51 0.00 0.00 179.97 179.79 1nwi n LEU 54 N -4.48 0.41 0.00 3.80 4.77 0.17 -4.99 117.00 116.67 1nwi n LEU 54 Ca 0.01 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1nwi n LEU 54 Cb 0.08 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1nwi n LEU 54 CO 0.35 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 1nwi n GLY 55 N 0.06 0.35 3.56 -0.72 0.00 -0.88 -4.48 105.19 103.09 1nwi n GLY 55 Ca 0.03 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 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 6.30 0.00 1.61 2.47 -1.26 -4.83 114.94 115.23 1nwi s ASN 56 Ca 0.00 -1.31 0.10 0.00 0.42 0.00 0.00 52.86 52.07 1nwi s ASN 56 Cb 0.00 -2.57 0.45 0.00 -1.45 0.00 0.00 41.25 37.68 1nwi s ASN 56 CO 0.00 -1.69 1.31 1.33 -3.72 0.00 0.00 177.10 174.33 1nwi n VAL 57 N 7.01 1.22 0.37 -5.21 0.24 -1.26 -2.48 118.33 118.22 1nwi n VAL 57 Ca 0.33 0.30 0.14 0.00 -2.04 0.00 0.00 64.34 63.07 1nwi n VAL 57 Cb 0.50 -1.13 0.53 0.00 -1.47 0.00 0.00 33.84 32.28 1nwi n VAL 57 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1nwi h SER 58 N 0.00 0.00 1.22 -1.34 4.64 -1.99 -2.40 113.55 113.67 1nwi h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nwi h SER 58 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1nwi h SER 58 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1nwi n GLN 59 N -2.56 0.20 0.00 4.77 6.02 -1.03 -4.97 117.38 119.81 1nwi n GLN 59 Ca 0.02 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 1nwi n GLN 59 Cb 0.29 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.78 1nwi n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nwi n GLY 60 N 1.00 3.26 0.32 1.08 0.00 -0.91 -2.40 105.19 107.55 1nwi n GLY 60 Ca 0.05 -0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.21 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 0.26 -0.23 1.61 1.85 -1.92 0.21 114.93 116.70 1nwi h MET 61 Ca 0.00 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.07 1nwi h MET 61 Cb 0.00 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 31.96 1nwi h MET 61 CO 0.00 0.17 0.10 0.00 -0.40 0.00 0.00 176.91 176.78 1nwi h ALA 62 N 1.82 1.76 -1.96 0.39 0.00 -1.89 -3.41 119.26 115.96 1nwi h ALA 62 Ca 0.64 -0.06 -0.57 0.00 0.00 0.00 0.00 54.91 54.92 1nwi h ALA 62 Cb 1.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1nwi h ALA 62 CO -0.64 0.20 1.24 1.21 0.00 0.00 0.00 179.25 181.27 1nwi s ASN 63 N -6.85 6.04 0.18 0.00 3.84 0.06 -4.89 114.94 113.32 1nwi s ASN 63 Ca -0.07 1.54 -0.14 0.00 0.21 0.00 0.00 52.86 54.40 1nwi s ASN 63 Cb 0.17 -2.53 0.10 0.00 -0.55 0.00 0.00 41.25 38.44 1nwi s ASN 63 CO 0.71 -1.55 1.81 0.44 -2.79 0.00 0.00 177.10 175.73 1nwi h ASP 64 N 12.23 0.48 -0.53 -4.21 3.32 -1.85 0.31 116.42 126.17 1nwi h ASP 64 Ca -0.35 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 1nwi h ASP 64 Cb 1.17 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 1nwi h ASP 64 CO 1.01 0.34 0.18 0.11 -1.72 0.00 0.00 179.24 179.16 1nwi h LYS 65 N 0.59 0.81 -0.62 3.56 1.57 -1.90 -0.41 116.57 120.18 1nwi h LYS 65 Ca 0.21 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1nwi h LYS 65 Cb 0.03 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1nwi h LYS 65 CO -0.10 0.73 0.10 1.25 -0.57 0.00 0.00 179.45 180.86 1nwi h LEU 66 N 0.72 0.98 -0.73 2.94 5.85 -1.72 -1.50 115.31 121.85 1nwi h LEU 66 Ca 0.17 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 1nwi h LEU 66 Cb 0.25 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1nwi h LEU 66 CO -0.01 1.00 0.21 -0.09 -0.34 0.00 0.00 178.44 179.21 1nwi h ARG 67 N 0.93 1.15 -0.48 1.25 2.43 -0.72 0.08 114.38 119.02 1nwi h ARG 67 Ca 0.19 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1nwi h ARG 67 Cb 0.43 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1nwi h ARG 67 CO 0.01 0.99 0.22 0.78 -1.51 0.00 0.00 179.97 180.47 1nwi h GLY 68 N 1.10 0.75 1.09 2.80 0.00 -0.76 -1.42 103.07 106.64 1nwi h GLY 68 Ca 0.23 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 1nwi h GLY 68 CO -0.00 0.36 -0.13 0.84 0.00 0.00 0.00 176.54 177.61 1nwi h HIS 69 N 0.64 1.14 -0.66 5.60 -0.00 -1.02 -1.95 115.15 118.89 1nwi h HIS 69 Ca 0.17 -0.24 -0.05 0.00 -0.00 0.00 0.00 60.37 60.24 1nwi h HIS 69 Cb 0.14 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.24 1nwi h HIS 69 CO -0.00 1.06 0.23 0.77 -0.00 0.00 0.00 177.93 179.99 1nwi h SER 70 N 0.88 0.94 -0.40 3.26 0.02 -0.79 0.17 113.55 117.63 1nwi h SER 70 Ca 0.13 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.80 1nwi h SER 70 Cb 0.70 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1nwi h SER 70 CO 0.05 0.88 -0.11 0.40 -1.14 0.00 0.00 176.83 176.92 1nwi h ILE 71 N 0.95 1.28 -0.57 3.27 2.04 -1.21 -2.98 117.51 120.29 1nwi h ILE 71 Ca 0.22 -1.21 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 1nwi h ILE 71 Cb 0.26 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1nwi h ILE 71 CO -0.01 0.40 0.03 0.74 0.00 0.00 0.00 178.15 179.31 1nwi h THR 72 N 0.60 1.26 -0.66 -0.27 2.02 -1.11 -2.93 112.91 111.81 1nwi h THR 72 Ca 0.10 -1.06 0.09 0.00 0.77 0.00 0.00 66.41 66.31 1nwi h THR 72 Cb 0.64 0.79 -0.07 0.00 -1.74 0.00 0.00 68.15 67.77 1nwi h THR 72 CO 0.04 0.38 0.31 0.25 0.37 0.00 0.00 175.52 176.88 1nwi h LEU 73 N 0.88 0.40 -1.83 2.58 6.46 -0.54 -1.77 115.31 121.49 1nwi h LEU 73 Ca 0.17 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1nwi h LEU 73 Cb 0.48 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1nwi h LEU 73 CO 0.02 0.23 -0.10 0.24 -0.62 0.00 0.00 178.44 178.21 1nwi h MET 74 N 0.55 0.00 0.00 1.25 2.86 -1.37 -2.16 114.93 116.06 1nwi h MET 74 Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1nwi h MET 74 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1nwi h MET 74 CO -0.26 0.10 0.00 1.88 1.06 0.00 0.00 176.91 179.69 1nwi h TYR 75 N 0.00 0.00 0.19 -0.22 0.05 -1.32 -0.64 116.97 115.03 1nwi h TYR 75 Ca -0.00 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.47 1nwi h TYR 75 Cb 0.18 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.96 1nwi h TYR 75 CO 0.00 0.00 -1.32 0.00 -1.05 0.00 0.00 178.16 175.79 1nwi h ALA 76 N 2.27 -0.10 -0.29 3.88 0.00 -1.38 -2.51 119.26 121.12 1nwi h ALA 76 Ca 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 54.91 54.01 1nwi h ALA 76 Cb 0.56 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1nwi h ALA 76 CO 0.00 0.65 -0.22 -0.07 0.00 0.00 0.00 179.25 179.61 1nwi h LEU 77 N 0.14 0.55 -1.12 0.00 3.38 -1.43 -1.47 115.31 115.37 1nwi h LEU 77 Ca -0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 1nwi h LEU 77 Cb 2.02 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.59 1nwi h LEU 77 CO 0.25 0.77 0.33 -0.61 0.09 0.00 0.00 178.44 179.28 1nwi h GLN 78 N 0.49 0.95 0.25 1.13 5.75 -1.11 -0.57 115.11 122.00 1nwi h GLN 78 Ca 0.07 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1nwi h GLN 78 Cb 0.65 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.02 1nwi h GLN 78 CO 0.05 0.73 -0.12 -0.97 -2.65 0.00 0.00 178.83 175.87 1nwi h ASN 79 N 0.95 -0.29 -0.44 -0.69 -0.73 -0.91 -2.04 115.58 111.43 1nwi h ASN 79 Ca 0.24 -0.14 0.06 0.00 1.87 0.00 0.00 56.30 58.32 1nwi h ASN 79 Cb 0.08 0.07 -0.05 0.00 0.27 0.00 0.00 38.32 38.70 1nwi h ASN 79 CO -0.03 -0.02 0.15 -0.26 -0.37 0.00 0.00 177.43 176.90 1nwi h PHE 80 N -0.56 0.27 -0.76 0.67 0.04 -0.99 -2.26 116.94 113.35 1nwi h PHE 80 Ca -0.03 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1nwi h PHE 80 Cb 0.41 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.47 1nwi h PHE 80 CO 0.00 0.09 0.49 0.82 -0.60 0.00 0.00 178.31 179.12 1nwi h ILE 81 N 0.32 1.20 0.00 -0.55 1.08 -1.08 -2.33 117.51 116.15 1nwi h ILE 81 Ca 0.21 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 1nwi h ILE 81 Cb 0.20 0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 34.05 1nwi h ILE 81 CO -0.21 0.20 -0.06 0.44 -0.69 0.00 0.00 178.15 177.82 1nwi h ASP 82 N 1.03 0.00 -0.24 1.72 3.32 -0.86 -2.86 116.42 118.53 1nwi h ASP 82 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1nwi h ASP 82 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1nwi h ASP 82 CO -0.06 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1nwi n GLN 83 N -3.23 2.20 -0.22 3.56 1.13 -0.90 -4.54 117.38 115.39 1nwi n GLN 83 Ca -0.00 -1.80 0.17 0.00 -1.94 0.00 0.00 57.00 53.42 1nwi n GLN 83 Cb 0.29 -1.47 0.49 0.00 0.11 0.00 0.00 30.24 29.66 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 3.75 0.43 0.00 1.08 3.38 -1.31 -1.80 115.31 120.83 1nwi h LEU 84 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1nwi h LEU 84 Cb 0.82 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1nwi h LEU 84 CO 0.00 0.20 0.00 0.47 0.09 0.00 0.00 178.44 179.20 1nwi n ASP 85 N -4.50 0.00 -3.62 -0.43 8.00 -1.26 -4.36 116.55 110.37 1nwi n ASP 85 Ca 0.17 0.25 -0.29 0.00 0.71 0.00 0.00 54.79 55.64 1nwi n ASP 85 Cb 0.61 -0.42 -0.12 0.00 -0.02 0.00 0.00 41.12 41.17 1nwi n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1nwi s ASN 86 N -2.83 3.23 0.66 -2.24 3.84 -0.68 -4.98 114.94 111.94 1nwi s ASN 86 Ca 0.19 -2.75 0.30 0.00 0.21 0.00 0.00 52.86 50.81 1nwi s ASN 86 Cb 0.19 -0.86 1.64 0.00 -0.55 0.00 0.00 41.25 41.67 1nwi s ASN 86 CO 0.50 -0.24 1.93 1.55 -2.79 0.00 0.00 177.10 178.05 1nwi h PRO 87 N 6.44 0.00 -0.36 0.43 0.13 -1.76 0.43 132.00 137.30 1nwi h PRO 87 Ca 0.07 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.05 1nwi h PRO 87 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1nwi h PRO 87 CO 0.44 0.00 -0.37 -0.44 -0.23 0.00 0.00 178.00 177.40 1nwi h ASP 88 N 0.00 0.96 0.45 1.44 3.32 -1.94 -1.40 116.42 119.25 1nwi h ASP 88 Ca 0.01 -0.47 -0.30 0.00 0.02 0.00 0.00 57.03 56.30 1nwi h ASP 88 Cb 0.68 -0.27 0.02 0.00 0.22 0.00 0.00 39.33 39.98 1nwi h ASP 88 CO -0.00 1.23 -1.31 0.44 -1.72 0.00 0.00 179.24 177.88 1nwi h ASP 89 N 0.70 0.61 -0.45 6.45 3.32 -1.27 -3.00 116.42 122.79 1nwi h ASP 89 Ca 0.06 -0.64 0.02 0.00 0.02 0.00 0.00 57.03 56.49 1nwi h ASP 89 Cb 0.97 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 1nwi h ASP 89 CO 0.09 1.49 0.27 0.25 -1.72 0.00 0.00 179.24 179.62 1nwi h LEU 90 N 0.12 0.45 -0.46 1.55 5.85 -1.24 -1.48 115.31 120.10 1nwi h LEU 90 Ca -0.18 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1nwi h LEU 90 Cb 2.01 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.93 1nwi h LEU 90 CO 0.23 0.32 0.17 0.58 -0.34 0.00 0.00 178.44 179.40 1nwi h VAL 91 N 0.55 1.21 -0.20 1.05 2.07 -1.33 -1.51 116.25 118.10 1nwi h VAL 91 Ca 0.17 -0.68 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 1nwi h VAL 91 Cb -0.01 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1nwi h VAL 91 CO -0.07 0.25 -0.27 0.00 0.02 0.00 0.00 177.57 177.50 1nwi h VAL 93 N 0.34 1.57 -0.40 0.00 -1.51 -1.19 -2.57 116.25 112.49 1nwi h VAL 93 Ca 0.05 -2.84 -0.11 0.00 -1.23 0.00 0.00 66.70 62.56 1nwi h VAL 93 Cb 0.66 2.57 -0.01 0.00 -2.13 0.00 0.00 31.29 32.38 1nwi h VAL 93 CO 0.05 0.82 -0.20 0.58 -1.23 0.00 0.00 177.57 177.59 1nwi h VAL 94 N 0.05 1.28 -0.36 7.19 2.07 -1.02 -1.04 116.25 124.42 1nwi h VAL 94 Ca -0.03 -1.34 -0.09 0.00 0.82 0.00 0.00 66.70 66.06 1nwi h VAL 94 Cb 1.55 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1nwi h VAL 94 CO 0.13 0.45 -0.16 -0.33 0.02 0.00 0.00 177.57 177.67 1nwi h GLU 95 N 0.65 0.65 -0.61 1.57 5.08 -1.32 -0.84 114.58 119.75 1nwi h GLU 95 Ca 0.09 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1nwi h GLU 95 Cb 0.76 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1nwi h GLU 95 CO 0.06 0.78 0.02 -0.22 -1.00 0.00 0.00 179.01 178.65 1nwi h LYS 96 N 0.59 1.07 -0.72 2.33 1.63 -1.33 -2.98 116.57 117.16 1nwi h LYS 96 Ca 0.10 -0.33 -0.04 0.00 -0.85 0.00 0.00 60.65 59.53 1nwi h LYS 96 Cb 0.61 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 1nwi h LYS 96 CO 0.04 1.04 0.31 0.35 -3.45 0.00 0.00 179.45 177.74 1nwi h PHE 97 N 0.98 1.07 -0.08 1.91 3.57 -0.67 -3.16 116.94 120.56 1nwi h PHE 97 Ca 0.18 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 1nwi h PHE 97 Cb 0.54 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1nwi h PHE 97 CO 0.04 0.81 -0.34 0.00 -2.23 0.00 0.00 178.31 176.59 1nwi h ALA 98 N 1.15 1.29 -0.93 2.41 0.00 -1.02 -3.34 119.26 118.82 1nwi h ALA 98 Ca 0.24 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1nwi h ALA 98 Cb 0.18 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.77 1nwi h ALA 98 CO -0.02 0.50 -0.58 0.28 0.00 0.00 0.00 179.25 179.42 1nwi h VAL 99 N 0.13 0.00 -0.56 0.00 2.07 -1.50 0.93 116.25 117.32 1nwi h VAL 99 Ca 0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1nwi h VAL 99 Cb 0.67 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1nwi h VAL 99 CO 0.05 0.00 0.20 0.78 0.02 0.00 0.00 177.57 178.62 1nwi h ASN 100 N -0.04 0.74 0.59 0.57 2.35 -1.79 -2.08 115.58 115.94 1nwi h ASN 100 Ca 0.15 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 1nwi h ASN 100 Cb 0.42 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1nwi h ASN 100 CO -0.89 0.69 -0.45 0.45 -1.65 0.00 0.00 177.43 175.58 1nwi h HIS 101 N 0.80 0.00 -0.17 1.19 3.86 -1.37 -2.38 115.15 117.08 1nwi h HIS 101 Ca 0.19 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.29 1nwi h HIS 101 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1nwi h HIS 101 CO 0.01 0.45 -0.30 0.82 0.86 0.00 0.00 177.93 179.77 1nwi h ILE 102 N 0.00 1.35 0.00 2.45 2.04 -0.36 -1.01 117.51 121.98 1nwi h ILE 102 Ca -0.00 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.30 1nwi h ILE 102 Cb 0.86 1.94 -0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1nwi h ILE 102 CO 0.06 0.46 -0.07 0.71 0.00 0.00 0.00 178.15 179.31 1nwi h THR 103 N 0.13 0.52 -0.01 -0.27 1.35 -1.24 0.09 112.91 113.49 1nwi h THR 103 Ca 0.01 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1nwi h THR 103 Cb 0.89 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1nwi h THR 103 CO 0.07 0.07 -0.03 0.54 -0.25 0.00 0.00 175.52 175.92 1nwi n ARG 104 N -3.68 1.22 -2.21 4.72 1.74 -0.91 -4.92 116.66 112.62 1nwi n ARG 104 Ca -0.02 -0.47 -0.10 0.00 -0.77 0.00 0.00 57.85 56.49 1nwi n ARG 104 Cb 0.18 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.12 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 -0.48 -0.86 -2.95 5.56 4.76 0.02 -4.98 118.16 119.23 1nwi n LYS 105 Ca 0.20 0.49 -0.43 0.00 -2.87 0.00 0.00 58.31 55.69 1nwi n LYS 105 Cb 0.25 -4.54 -0.05 0.00 -1.84 0.00 0.00 35.03 28.86 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 -2.51 4.56 0.89 -0.18 -1.09 -0.40 -5.04 121.20 117.42 1nwi s ILE 106 Ca 0.01 -0.02 -0.12 0.00 -2.23 0.00 0.00 60.65 58.29 1nwi s ILE 106 Cb -0.00 -4.46 0.12 0.00 -1.58 0.00 0.00 42.46 36.54 1nwi s ILE 106 CO 0.01 -1.02 1.11 -0.94 -1.23 0.00 0.00 174.94 172.87 1nwi s SER 107 N 2.82 3.65 0.37 3.58 1.04 -1.26 -4.63 113.70 119.27 1nwi s SER 107 Ca 0.25 1.17 0.06 0.00 0.48 0.00 0.00 55.95 57.90 1nwi s SER 107 Cb -0.15 -1.82 0.72 0.00 0.10 0.00 0.00 66.02 64.87 1nwi s SER 107 CO 0.16 -2.49 1.96 0.00 0.98 0.00 0.00 173.24 173.85 1nwi h ALA 108 N -1.45 1.52 -0.26 5.32 0.00 -1.87 -0.22 119.26 122.30 1nwi h ALA 108 Ca -0.50 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 1nwi h ALA 108 Cb 1.31 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1nwi h ALA 108 CO 0.60 0.36 -0.23 0.00 0.00 0.00 0.00 179.25 179.98 1nwi h ALA 109 N 1.61 0.38 -0.44 0.00 0.00 -1.94 -1.98 119.26 116.88 1nwi h ALA 109 Ca 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1nwi h ALA 109 Cb 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1nwi h ALA 109 CO -0.01 0.34 0.23 0.93 0.00 0.00 0.00 179.25 180.74 1nwi h GLU 110 N 0.33 0.62 -0.35 0.00 4.39 -1.79 -2.38 114.58 115.40 1nwi h GLU 110 Ca 0.04 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1nwi h GLU 110 Cb 0.78 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1nwi h GLU 110 CO 0.06 0.51 0.16 0.35 -1.16 0.00 0.00 179.01 178.93 1nwi h PHE 111 N 0.57 0.48 0.00 4.33 3.57 -1.01 -2.54 116.94 122.34 1nwi h PHE 111 Ca 0.15 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1nwi h PHE 111 Cb 0.08 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1nwi h PHE 111 CO -0.02 0.36 0.00 0.78 -2.23 0.00 0.00 178.31 177.21 1nwi h GLY 112 N 0.61 0.00 2.00 2.40 0.00 -0.81 -2.56 103.07 104.71 1nwi h GLY 112 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1nwi h GLY 112 CO -0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.80 1nwi n LYS 113 N -2.67 0.04 0.07 4.80 5.02 -0.96 -1.76 118.16 122.70 1nwi n LYS 113 Ca -0.01 0.39 0.13 0.00 -2.02 0.00 0.00 58.31 56.79 1nwi n LYS 113 Cb 0.10 -1.59 0.47 0.00 -0.02 0.00 0.00 35.03 33.99 1nwi n LYS 113 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1nwi n ILE 114 N -1.67 0.45 -0.20 -0.18 0.13 -0.97 -3.55 119.36 113.36 1nwi n ILE 114 Ca 0.02 -0.14 -0.06 0.00 -1.10 0.00 0.00 62.75 61.46 1nwi n ILE 114 Cb 0.11 -0.62 0.09 0.00 -0.84 0.00 0.00 39.64 38.38 1nwi n ILE 114 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 1nwi h ASN 115 N 0.00 0.97 0.36 9.51 -0.26 -1.58 -2.17 115.58 122.41 1nwi h ASN 115 Ca 0.00 -0.22 -0.02 0.00 -0.56 0.00 0.00 56.30 55.50 1nwi h ASN 115 Cb 0.62 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1nwi h ASN 115 CO 0.00 0.97 -0.17 1.23 -1.06 0.00 0.00 177.43 178.40 1nwi h GLY 116 N 1.04 -0.51 0.73 2.83 0.00 -1.78 -1.86 103.07 103.51 1nwi h GLY 116 Ca 0.19 0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.79 1nwi h GLY 116 CO 0.01 -0.19 0.62 -2.55 0.00 0.00 0.00 176.54 174.44 1nwi h PRO 117 N -0.56 1.05 -0.81 4.80 0.11 -1.73 -1.56 132.00 133.30 1nwi h PRO 117 Ca -0.05 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 1nwi h PRO 117 Cb 0.42 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 31.25 1nwi h PRO 117 CO 0.08 0.69 0.40 0.82 -0.21 0.00 0.00 178.00 179.78 1nwi h ILE 118 N 1.08 1.25 -0.67 4.15 2.04 -1.23 -1.40 117.51 122.74 1nwi h ILE 118 Ca 0.43 -0.70 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 1nwi h ILE 118 Cb 0.25 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1nwi h ILE 118 CO -0.18 0.30 0.10 0.50 0.00 0.00 0.00 178.15 178.87 1nwi h LYS 119 N 1.15 1.10 -0.35 2.37 3.64 -0.45 -1.45 116.57 122.58 1nwi h LYS 119 Ca 0.28 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1nwi h LYS 119 Cb 0.11 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1nwi h LYS 119 CO -0.04 1.01 0.01 0.87 -2.27 0.00 0.00 179.45 179.04 1nwi h LYS 120 N 1.03 0.61 -0.80 1.90 1.57 -1.07 -0.64 116.57 119.16 1nwi h LYS 120 Ca 0.20 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1nwi h LYS 120 Cb 0.44 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 1nwi h LYS 120 CO 0.01 0.71 0.39 0.28 -0.57 0.00 0.00 179.45 180.28 1nwi h VAL 121 N 0.42 1.25 -0.17 0.50 2.07 -1.14 -1.89 116.25 117.29 1nwi h VAL 121 Ca 0.10 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1nwi h VAL 121 Cb 0.43 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1nwi h VAL 121 CO 0.02 0.30 0.02 -0.07 0.02 0.00 0.00 177.57 177.85 1nwi h LEU 122 N 1.13 0.28 -0.84 2.57 3.38 -1.11 -3.10 115.31 117.62 1nwi h LEU 122 Ca 0.28 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1nwi h LEU 122 Cb 0.11 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 1nwi h LEU 122 CO -0.04 0.48 0.49 0.00 0.09 0.00 0.00 178.44 179.46 1nwi h ALA 123 N 0.81 1.19 0.00 1.53 0.00 -0.87 0.53 119.26 122.46 1nwi h ALA 123 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nwi h ALA 123 Cb 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1nwi h ALA 123 CO 0.00 0.13 0.00 0.66 0.00 0.00 0.00 179.25 180.04 1nwi h SER 124 N 0.82 0.00 -0.30 0.00 4.64 -1.27 0.98 113.55 118.42 1nwi h SER 124 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1nwi h SER 124 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1nwi h SER 124 CO -0.24 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.01 1nwi n LYS 125 N -2.50 2.15 -2.41 4.77 4.76 0.09 -4.97 118.16 120.05 1nwi n LYS 125 Ca -0.01 -1.97 -0.03 0.00 -2.87 0.00 0.00 58.31 53.42 1nwi n LYS 125 Cb 0.10 -1.38 0.01 0.00 -1.84 0.00 0.00 35.03 31.91 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 1.05 -2.24 -4.17 4.39 3.02 0.34 -5.04 115.26 112.60 1nwi n ASN 126 Ca 0.14 -0.05 -0.35 0.00 -0.03 0.00 0.00 54.58 54.30 1nwi n ASN 126 Cb 0.48 -1.13 -0.14 0.00 -0.61 0.00 0.00 39.78 38.39 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 -2.68 3.29 0.00 3.10 0.40 -0.68 -4.99 117.98 116.42 1nwi s PHE 127 Ca 0.05 -1.91 0.00 0.00 -0.60 0.00 0.00 56.93 54.47 1nwi s PHE 127 Cb -0.02 -2.20 0.00 0.00 0.51 0.00 0.00 43.02 41.31 1nwi s PHE 127 CO 0.06 -0.81 0.00 0.41 0.70 0.00 0.00 175.22 175.58 1nwi n GLY 128 N 4.62 -2.36 0.37 4.36 0.00 -1.26 -3.17 105.19 107.75 1nwi n GLY 128 Ca -0.12 -1.41 0.10 0.00 0.00 0.00 0.00 46.02 44.58 1nwi n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nwi h ASP 129 N -0.54 0.73 -0.78 1.61 5.19 -1.99 -2.08 116.42 118.55 1nwi h ASP 129 Ca 0.00 0.04 0.11 0.00 -0.62 0.00 0.00 57.03 56.56 1nwi h ASP 129 Cb 0.00 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 39.35 1nwi h ASP 129 CO 0.00 0.39 0.51 0.50 -3.12 0.00 0.00 179.24 177.52 1nwi h LYS 130 N 0.78 0.63 0.05 3.56 3.64 -1.99 0.16 116.57 123.40 1nwi h LYS 130 Ca 0.45 -0.04 -0.27 0.00 -1.27 0.00 0.00 60.65 59.52 1nwi h LYS 130 Cb 0.61 -0.14 0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1nwi h LYS 130 CO -0.21 0.41 -1.11 1.88 -2.27 0.00 0.00 179.45 178.16 1nwi h TYR 131 N 0.65 0.88 -0.84 1.91 0.05 -1.70 -2.65 116.97 115.27 1nwi h TYR 131 Ca 0.37 -0.52 -0.02 0.00 0.05 0.00 0.00 58.73 58.62 1nwi h TYR 131 Cb 0.56 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.18 1nwi h TYR 131 CO -0.00 1.36 0.46 0.00 -1.05 0.00 0.00 178.16 178.92 1nwi h ALA 132 N 0.47 1.22 -0.63 3.88 0.00 -0.96 -1.59 119.26 121.64 1nwi h ALA 132 Ca -0.14 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1nwi h ALA 132 Cb 1.77 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1nwi h ALA 132 CO 0.21 0.63 0.05 -0.91 0.00 0.00 0.00 179.25 179.22 1nwi h ASN 133 N 1.18 1.05 -0.51 0.00 4.21 -0.74 -1.08 115.58 119.68 1nwi h ASN 133 Ca 0.30 -0.28 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1nwi h ASN 133 Cb 0.03 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 36.92 1nwi h ASN 133 CO -0.05 1.07 0.33 0.00 -1.29 0.00 0.00 177.43 177.49 1nwi h ALA 134 N 1.04 0.65 -0.07 -0.83 0.00 -0.99 -2.28 119.26 116.77 1nwi h ALA 134 Ca 0.19 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1nwi h ALA 134 Cb 0.51 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1nwi h ALA 134 CO 0.02 0.11 -0.47 -1.49 0.00 0.00 0.00 179.25 177.42 1nwi h TRP 135 N 0.69 0.21 -0.09 0.00 4.06 -1.12 -2.55 115.95 117.16 1nwi h TRP 135 Ca 0.19 -0.06 -0.03 0.00 2.06 0.00 0.00 58.89 61.05 1nwi h TRP 135 Cb -0.06 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.05 1nwi h TRP 135 CO -0.04 0.62 -0.06 0.00 -3.56 0.00 0.00 178.44 175.40 1nwi h ALA 136 N 1.37 1.73 -0.03 1.49 0.00 -0.66 -0.42 119.26 122.74 1nwi h ALA 136 Ca 0.01 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1nwi h ALA 136 Cb 0.89 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1nwi h ALA 136 CO 0.07 0.20 -0.79 0.87 0.00 0.00 0.00 179.25 179.61 1nwi h LYS 137 N 0.13 0.27 -0.27 0.00 1.57 -1.02 -1.55 116.57 115.70 1nwi h LYS 137 Ca 0.03 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.44 1nwi h LYS 137 Cb 0.20 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1nwi h LYS 137 CO 0.01 0.93 -0.29 1.25 -0.57 0.00 0.00 179.45 180.78 1nwi h LEU 138 N 0.17 0.72 -1.50 2.94 5.85 -1.12 -2.66 115.31 119.71 1nwi h LEU 138 Ca -0.04 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 1nwi h LEU 138 Cb 1.38 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1nwi h LEU 138 CO 0.13 1.06 0.25 0.58 -0.34 0.00 0.00 178.44 180.12 1nwi h VAL 139 N 0.40 1.13 -0.03 1.05 2.07 -1.07 -1.26 116.25 118.54 1nwi h VAL 139 Ca 0.04 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1nwi h VAL 139 Cb 0.87 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1nwi h VAL 139 CO 0.07 0.14 -0.12 0.00 0.02 0.00 0.00 177.57 177.68 1nwi h ALA 140 N 1.68 1.74 -0.56 1.67 0.00 -0.94 -0.44 119.26 122.41 1nwi h ALA 140 Ca 0.16 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1nwi h ALA 140 Cb -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1nwi h ALA 140 CO -0.03 0.19 -0.03 0.28 0.00 0.00 0.00 179.25 179.67 1nwi h VAL 141 N 0.05 1.26 -0.23 0.00 2.07 -1.00 -1.84 116.25 116.56 1nwi h VAL 141 Ca 0.01 -1.16 -0.21 0.00 0.82 0.00 0.00 66.70 66.17 1nwi h VAL 141 Cb 0.24 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1nwi h VAL 141 CO 0.02 0.42 -0.66 0.58 0.02 0.00 0.00 177.57 177.94 1nwi h VAL 142 N 0.91 1.27 -0.52 2.57 2.07 -1.25 -3.09 116.25 118.21 1nwi h VAL 142 Ca 0.16 -1.85 -0.00 0.00 0.82 0.00 0.00 66.70 65.83 1nwi h VAL 142 Cb 0.57 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1nwi h VAL 142 CO 0.03 0.60 0.32 1.56 0.02 0.00 0.00 177.57 180.10 1nwi h GLN 143 N 0.62 0.70 0.00 1.57 4.20 -0.96 -0.12 115.11 121.11 1nwi h GLN 143 Ca -0.02 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1nwi h GLN 143 Cb 1.28 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1nwi h GLN 143 CO 0.14 0.48 0.00 0.00 -0.67 0.00 0.00 178.83 178.78 1nwi h ALA 144 N 1.64 1.00 -0.02 3.87 0.00 -1.25 -1.25 119.26 123.26 1nwi h ALA 144 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1nwi h ALA 144 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nwi h ALA 144 CO -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 179.25 179.06 1nwi n ALA 145 N -2.06 2.83 0.85 0.00 0.00 -0.08 -4.56 120.51 117.49 1nwi n ALA 145 Ca -0.01 -0.62 0.10 0.00 0.00 0.00 0.00 53.44 52.91 1nwi n ALA 145 Cb 0.18 -0.89 0.09 0.00 0.00 0.00 0.00 19.45 18.82 1nwi n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78