#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 1.26 -0.62 2.46 2.07 -1.88 -1.01 116.25 118.53 1nwi h VAL 3 Ca 0.00 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1nwi h VAL 3 Cb 0.00 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.67 1nwi h VAL 3 CO 0.00 0.27 0.37 1.88 0.02 0.00 0.00 177.57 180.11 1nwi h TYR 4 N 1.30 0.81 0.05 1.57 0.05 -1.94 -0.53 116.97 118.28 1nwi h TYR 4 Ca 0.34 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.86 1nwi h TYR 4 Cb -0.05 -0.27 0.01 0.00 1.01 0.00 0.00 36.73 37.43 1nwi h TYR 4 CO 0.01 0.55 -1.08 -0.44 -1.05 0.00 0.00 178.16 176.14 1nwi h ASP 5 N 0.85 0.61 -0.53 3.88 3.32 -1.83 -3.20 116.42 119.52 1nwi h ASP 5 Ca 0.22 -0.54 -0.08 0.00 0.02 0.00 0.00 57.03 56.66 1nwi h ASP 5 Cb -0.02 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1nwi h ASP 5 CO -0.04 1.36 0.04 0.00 -1.72 0.00 0.00 179.24 178.87 1nwi h ALA 6 N 0.59 0.98 0.00 3.45 0.00 -0.75 -2.34 119.26 121.19 1nwi h ALA 6 Ca -0.12 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1nwi h ALA 6 Cb 1.74 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1nwi h ALA 6 CO 0.19 0.63 -0.17 0.00 0.00 0.00 0.00 179.25 179.89 1nwi h ALA 7 N 1.14 1.52 0.00 0.00 0.00 -1.16 -0.81 119.26 119.95 1nwi h ALA 7 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nwi h ALA 7 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1nwi h ALA 7 CO 0.02 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1nwi n ALA 8 N -2.42 1.75 0.22 0.00 0.00 -0.89 -2.35 120.51 116.83 1nwi n ALA 8 Ca -0.02 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.59 1nwi n ALA 8 Cb 0.25 -1.40 0.46 0.00 0.00 0.00 0.00 19.45 18.76 1nwi n ALA 8 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1nwi h GLN 9 N 0.00 0.00 -5.74 0.00 1.08 -1.12 -3.39 115.11 105.94 1nwi h GLN 9 Ca 0.00 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.74 1nwi h GLN 9 Cb 0.42 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.79 1nwi h GLN 9 CO 0.00 0.24 1.35 -0.51 -0.95 0.00 0.00 178.83 178.96 1nwi s LEU 10 N -6.85 3.35 0.94 1.46 1.43 -0.99 -4.96 118.68 113.07 1nwi s LEU 10 Ca 0.00 -1.59 -0.14 0.00 -1.03 0.00 0.00 54.13 51.37 1nwi s LEU 10 Cb 0.10 -2.58 0.16 0.00 0.03 0.00 0.00 46.19 43.91 1nwi s LEU 10 CO 0.64 -2.25 1.19 0.42 0.23 0.00 0.00 176.35 176.57 1nwi s THR 11 N 8.05 1.95 0.25 5.49 -4.23 -1.26 -4.76 115.64 121.12 1nwi s THR 11 Ca 0.61 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.08 1nwi s THR 11 Cb -0.01 -2.83 0.21 0.00 1.34 0.00 0.00 72.50 71.22 1nwi s THR 11 CO 0.05 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.90 1nwi h ALA 12 N -1.58 1.14 -0.44 3.99 0.00 -1.98 -1.25 119.26 119.13 1nwi h ALA 12 Ca -0.47 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 1nwi h ALA 12 Cb 1.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1nwi h ALA 12 CO 0.54 -0.06 -0.10 -0.44 0.00 0.00 0.00 179.25 179.19 1nwi h ASP 13 N 0.62 0.86 -0.59 0.00 3.32 -1.99 -2.39 116.42 116.25 1nwi h ASP 13 Ca 0.41 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1nwi h ASP 13 Cb 0.51 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1nwi h ASP 13 CO -0.32 1.02 0.22 0.58 -1.72 0.00 0.00 179.24 179.01 1nwi h VAL 14 N 0.68 1.23 -0.40 -1.35 2.07 -1.77 -2.23 116.25 114.49 1nwi h VAL 14 Ca 0.11 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1nwi h VAL 14 Cb 0.64 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1nwi h VAL 14 CO 0.04 0.29 -0.00 0.11 0.02 0.00 0.00 177.57 178.03 1nwi h LYS 15 N 0.82 0.64 -0.26 1.57 1.57 -1.19 -1.47 116.57 118.25 1nwi h LYS 15 Ca 0.19 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1nwi h LYS 15 Cb 0.23 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1nwi h LYS 15 CO -0.01 0.66 -0.45 -0.22 -0.57 0.00 0.00 179.45 178.85 1nwi h LYS 16 N 0.60 0.67 -0.10 3.15 3.64 -1.15 -1.80 116.57 121.58 1nwi h LYS 16 Ca 0.12 -0.37 -0.12 0.00 -1.27 0.00 0.00 60.65 59.01 1nwi h LYS 16 Cb 0.39 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1nwi h LYS 16 CO 0.01 0.98 -0.49 -0.44 -2.27 0.00 0.00 179.45 177.25 1nwi h ASP 17 N 0.54 0.27 -0.50 4.20 3.32 -1.07 -0.68 116.42 122.50 1nwi h ASP 17 Ca 0.03 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 56.84 1nwi h ASP 17 Cb 1.00 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1nwi h ASP 17 CO 0.09 0.72 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.12 1nwi h LEU 18 N 0.20 0.99 -0.07 1.55 3.38 -1.12 -2.28 115.31 117.95 1nwi h LEU 18 Ca 0.01 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1nwi h LEU 18 Cb 0.94 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1nwi h LEU 18 CO 0.08 1.13 -0.04 0.03 0.09 0.00 0.00 178.44 179.73 1nwi h ARG 19 N 0.83 0.15 -0.83 1.13 3.08 -1.10 -1.40 114.38 116.24 1nwi h ARG 19 Ca 0.12 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.12 1nwi h ARG 19 Cb 0.71 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 1nwi h ARG 19 CO 0.05 0.54 0.55 -0.44 -1.07 0.00 0.00 179.97 179.60 1nwi h ASP 20 N -0.24 0.94 0.50 7.04 3.32 -1.14 -1.63 116.42 125.21 1nwi h ASP 20 Ca 0.01 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.83 1nwi h ASP 20 Cb 0.50 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1nwi h ASP 20 CO 0.01 0.68 -0.90 0.77 -1.72 0.00 0.00 179.24 178.08 1nwi h SER 21 N 1.11 0.35 0.63 6.45 4.64 -1.46 -3.17 113.55 122.11 1nwi h SER 21 Ca 0.31 -0.29 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 1nwi h SER 21 Cb -0.11 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1nwi h SER 21 CO -0.07 1.09 -0.24 -0.25 -0.87 0.00 0.00 176.83 176.48 1nwi h TRP 22 N 0.15 0.00 0.00 4.77 2.91 -0.93 -1.80 115.95 121.05 1nwi h TRP 22 Ca -0.06 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.93 1nwi h TRP 22 Cb 1.53 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.18 1nwi h TRP 22 CO 0.04 0.24 -0.18 -0.22 -1.03 0.00 0.00 178.44 177.29 1nwi h LYS 23 N 0.00 0.00 0.00 2.65 3.64 -1.27 0.17 116.57 121.75 1nwi h LYS 23 Ca -0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 1nwi h LYS 23 Cb 0.62 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1nwi h LYS 23 CO 0.03 0.18 -1.32 0.28 -2.27 0.00 0.00 179.45 176.36 1nwi n VAL 24 N -4.30 1.52 0.22 2.00 0.31 -0.89 -3.90 118.33 113.28 1nwi n VAL 24 Ca -0.02 -0.03 0.10 0.00 -0.01 0.00 0.00 64.34 64.37 1nwi n VAL 24 Cb 0.24 -2.07 0.40 0.00 -0.91 0.00 0.00 33.84 31.50 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 -1.00 0.49 -0.00 2.52 3.07 -1.40 -3.01 117.51 118.18 1nwi h ILE 25 Ca -0.34 -1.19 0.00 0.00 1.55 0.00 0.00 64.86 64.88 1nwi h ILE 25 Cb 1.23 1.84 0.00 0.00 -0.27 0.00 0.00 36.82 39.62 1nwi h ILE 25 CO -0.21 0.21 -0.20 0.61 -1.05 0.00 0.00 178.15 177.52 1nwi n GLY 26 N 0.35 -1.39 0.23 0.16 0.00 0.58 -3.74 105.19 101.38 1nwi n GLY 26 Ca 0.01 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 0.01 0.00 -2.80 1.61 4.64 -1.64 -3.34 113.55 112.03 1nwi h SER 27 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1nwi h SER 27 Cb 0.50 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.19 1nwi h SER 27 CO 0.00 0.17 -0.78 -0.62 -0.87 0.00 0.00 176.83 174.73 1nwi s ASP 28 N -6.09 3.14 0.22 4.97 2.15 -1.25 -4.98 116.67 114.84 1nwi s ASP 28 Ca 0.01 -3.36 -0.07 0.00 0.43 0.00 0.00 52.55 49.56 1nwi s ASP 28 Cb 0.09 -1.02 0.18 0.00 -0.30 0.00 0.00 42.92 41.88 1nwi s ASP 28 CO 0.62 -0.14 1.76 0.11 -0.17 0.00 0.00 175.17 177.35 1nwi h LYS 29 N 5.66 1.12 -0.14 4.34 1.57 -1.78 -1.71 116.57 125.63 1nwi h LYS 29 Ca 0.19 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1nwi h LYS 29 Cb 0.84 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1nwi h LYS 29 CO 0.53 0.95 -0.11 -0.22 -0.57 0.00 0.00 179.45 180.03 1nwi h LYS 30 N 1.08 0.32 0.57 3.15 3.64 -1.91 -0.97 116.57 122.45 1nwi h LYS 30 Ca 0.24 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1nwi h LYS 30 Cb 0.29 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1nwi h LYS 30 CO -0.01 0.69 -0.28 0.78 -2.27 0.00 0.00 179.45 178.37 1nwi h GLY 31 N -0.04 -0.80 2.00 5.01 0.00 -1.96 -2.52 103.07 104.76 1nwi h GLY 31 Ca 0.03 0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.58 1nwi h GLY 31 CO 0.03 -0.29 -0.34 3.43 0.00 0.00 0.00 176.54 179.37 1nwi h ASN 32 N -0.83 0.00 -0.21 0.19 2.35 -1.43 -2.41 115.58 113.24 1nwi h ASN 32 Ca -0.08 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1nwi h ASN 32 Cb 0.61 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1nwi h ASN 32 CO 0.13 0.34 -0.01 1.23 -1.65 0.00 0.00 177.43 177.47 1nwi h GLY 33 N 2.45 0.40 1.61 2.83 0.00 -1.14 -0.24 103.07 108.98 1nwi h GLY 33 Ca -0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 1nwi h GLY 33 CO 0.04 0.28 -0.34 -2.08 0.00 0.00 0.00 176.54 174.45 1nwi h VAL 34 N 0.13 1.29 -0.63 4.60 2.07 -1.44 -2.38 116.25 119.89 1nwi h VAL 34 Ca 0.06 -1.42 -0.05 0.00 0.82 0.00 0.00 66.70 66.10 1nwi h VAL 34 Cb 0.42 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1nwi h VAL 34 CO 0.01 0.44 0.19 0.00 0.02 0.00 0.00 177.57 178.24 1nwi h ALA 35 N 1.26 0.83 0.17 1.67 0.00 -1.23 -0.03 119.26 121.93 1nwi h ALA 35 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1nwi h ALA 35 Cb 0.78 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1nwi h ALA 35 CO 0.06 0.50 -0.08 -0.07 0.00 0.00 0.00 179.25 179.66 1nwi h LEU 36 N 0.91 -0.19 -0.40 0.00 3.38 -0.79 -1.88 115.31 116.35 1nwi h LEU 36 Ca 0.20 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1nwi h LEU 36 Cb 0.30 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1nwi h LEU 36 CO -0.01 -0.02 0.22 0.24 0.09 0.00 0.00 178.44 178.97 1nwi h MET 37 N -0.35 0.55 -0.36 1.13 2.86 -1.32 -1.09 114.93 116.34 1nwi h MET 37 Ca -0.02 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1nwi h MET 37 Cb 0.27 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1nwi h MET 37 CO 0.04 0.43 -0.00 1.79 1.06 0.00 0.00 176.91 180.23 1nwi h THR 38 N 0.51 1.21 -0.10 2.22 1.35 -1.00 -1.33 112.91 115.76 1nwi h THR 38 Ca 0.14 -0.82 -0.14 0.00 -0.55 0.00 0.00 66.41 65.04 1nwi h THR 38 Cb 0.04 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 1nwi h THR 38 CO -0.02 0.28 -0.55 0.74 -0.25 0.00 0.00 175.52 175.72 1nwi h THR 39 N 0.54 1.36 -0.23 6.82 2.02 -1.07 -1.32 112.91 121.04 1nwi h THR 39 Ca 0.11 -1.84 -0.04 0.00 0.77 0.00 0.00 66.41 65.42 1nwi h THR 39 Cb 0.35 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1nwi h THR 39 CO 0.01 0.55 -0.02 0.25 0.37 0.00 0.00 175.52 176.68 1nwi h LEU 40 N 0.23 0.41 -1.21 2.58 5.85 -0.52 -0.82 115.31 121.84 1nwi h LEU 40 Ca 0.00 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 58.31 1nwi h LEU 40 Cb 1.03 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1nwi h LEU 40 CO 0.09 0.64 -0.39 -0.26 -0.34 0.00 0.00 178.44 178.19 1nwi h PHE 41 N 0.17 0.00 0.00 1.25 0.04 -1.21 0.15 116.94 117.34 1nwi h PHE 41 Ca 0.06 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.68 1nwi h PHE 41 Cb 0.44 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.61 1nwi h PHE 41 CO 0.04 0.39 -0.60 0.00 -0.60 0.00 0.00 178.31 177.54 1nwi h ALA 42 N 1.61 0.07 0.00 2.45 0.00 -1.05 -2.92 119.26 119.42 1nwi h ALA 42 Ca -0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 1nwi h ALA 42 Cb 0.71 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1nwi h ALA 42 CO 0.05 0.35 -1.08 -0.44 0.00 0.00 0.00 179.25 178.13 1nwi h ASP 43 N -0.12 0.00 -2.09 0.00 3.32 -1.14 -3.39 116.42 113.01 1nwi h ASP 43 Ca -0.08 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.40 1nwi h ASP 43 Cb 1.32 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.46 1nwi h ASP 43 CO 0.12 0.66 -0.87 0.59 -1.72 0.00 0.00 179.24 178.01 1nwi n ASN 44 N -3.09 1.87 0.26 6.45 4.13 0.52 -4.95 115.26 120.45 1nwi n ASN 44 Ca -0.05 -3.06 0.18 0.00 1.68 0.00 0.00 54.58 53.33 1nwi n ASN 44 Cb 0.84 -0.65 0.84 0.00 -1.54 0.00 0.00 39.78 39.27 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 4.02 0.00 0.00 3.52 4.20 -1.68 -1.12 115.11 124.04 1nwi h GLN 45 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1nwi h GLN 45 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1nwi h GLN 45 CO 0.64 0.00 0.00 1.05 -0.67 0.00 0.00 178.83 179.85 1nwi h GLU 46 N 0.00 0.00 0.00 1.46 9.09 -1.92 -2.78 114.58 120.43 1nwi h GLU 46 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.47 1nwi h GLU 46 Cb 0.67 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.77 1nwi h GLU 46 CO -0.00 0.00 -0.12 1.79 0.05 0.00 0.00 179.01 180.73 1nwi h THR 47 N 0.00 0.00 -0.23 -1.06 1.35 -1.54 -3.29 112.91 108.14 1nwi h THR 47 Ca 0.00 -0.80 0.07 0.00 -0.55 0.00 0.00 66.41 65.13 1nwi h THR 47 Cb 0.37 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 1nwi h THR 47 CO 0.00 0.00 0.26 0.40 -0.25 0.00 0.00 175.52 175.93 1nwi h ILE 48 N 0.00 0.42 -0.06 6.82 2.04 -1.67 -1.47 117.51 123.60 1nwi h ILE 48 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1nwi h ILE 48 Cb 0.90 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1nwi h ILE 48 CO 0.00 0.00 -0.03 1.23 0.00 0.00 0.00 178.15 179.35 1nwi h GLY 49 N 0.00 0.09 2.00 5.37 0.00 -1.79 -2.03 103.07 106.71 1nwi h GLY 49 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1nwi h GLY 49 CO -0.00 0.04 -0.06 -0.97 0.00 0.00 0.00 176.54 175.55 1nwi h TYR 50 N 0.08 0.00 -0.84 5.60 0.05 -1.54 -3.30 116.97 117.02 1nwi h TYR 50 Ca 0.02 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.23 1nwi h TYR 50 Cb 0.11 0.00 -0.32 0.00 1.01 0.00 0.00 36.73 37.53 1nwi h TYR 50 CO 0.00 0.06 0.16 1.19 -1.05 0.00 0.00 178.16 178.52 1nwi n PHE 51 N -3.15 2.83 -0.37 4.88 3.72 -0.76 -4.75 117.46 119.86 1nwi n PHE 51 Ca 0.02 -2.54 -0.01 0.00 -0.05 0.00 0.00 57.45 54.87 1nwi n PHE 51 Cb 0.41 -0.93 0.13 0.00 -0.94 0.00 0.00 39.48 38.15 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 1.91 1.27 -0.14 -1.08 1.57 -1.65 -1.95 116.57 116.51 1nwi h LYS 52 Ca 0.49 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 59.23 1nwi h LYS 52 Cb 1.27 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1nwi h LYS 52 CO 1.15 0.84 0.18 -0.09 -0.57 0.00 0.00 179.45 180.96 1nwi h ARG 53 N 1.31 0.00 0.00 3.15 2.43 -1.92 0.13 114.38 119.48 1nwi h ARG 53 Ca 0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1nwi h ARG 53 Cb -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1nwi h ARG 53 CO -0.11 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.63 1nwi n LEU 54 N -3.65 0.30 0.00 3.80 4.77 -0.73 -5.02 117.00 116.47 1nwi n LEU 54 Ca 0.01 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1nwi n LEU 54 Cb 0.29 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1nwi n LEU 54 CO 0.25 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1nwi n GLY 55 N 1.07 -0.21 3.55 -0.72 0.00 0.03 -4.56 105.19 104.35 1nwi n GLY 55 Ca 0.06 -1.13 -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 5.88 0.00 1.61 2.47 -1.26 -4.84 114.94 114.80 1nwi s ASN 56 Ca 0.00 -0.48 0.17 0.00 0.42 0.00 0.00 52.86 52.97 1nwi s ASN 56 Cb 0.00 -2.55 0.85 0.00 -1.45 0.00 0.00 41.25 38.10 1nwi s ASN 56 CO 0.00 -2.02 1.52 1.33 -3.72 0.00 0.00 177.10 174.21 1nwi n VAL 57 N 6.87 0.54 0.65 -5.21 0.24 -1.26 -2.78 118.33 117.38 1nwi n VAL 57 Ca 0.18 0.14 0.11 0.00 -2.04 0.00 0.00 64.34 62.73 1nwi n VAL 57 Cb 0.50 -0.85 0.46 0.00 -1.47 0.00 0.00 33.84 32.48 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 -1.32 0.33 0.00 -1.34 3.41 -1.26 -2.48 113.62 110.96 1nwi n SER 58 Ca 0.08 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 1nwi n SER 58 Cb 0.15 -0.63 0.54 0.00 -0.26 0.00 0.00 64.21 64.01 1nwi n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nwi n GLN 59 N -1.84 0.01 0.00 4.33 6.02 -1.12 -4.96 117.38 119.83 1nwi n GLN 59 Ca 0.05 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1nwi n GLN 59 Cb 0.29 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.05 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 1.11 3.38 0.37 1.08 0.00 -1.03 -2.15 105.19 107.94 1nwi n GLY 60 Ca 0.06 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 0.77 0.00 1.61 1.85 -1.92 -1.67 114.93 115.56 1nwi h MET 61 Ca 0.00 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.04 1nwi h MET 61 Cb 0.00 -0.17 0.00 0.00 0.43 0.00 0.00 31.60 31.86 1nwi h MET 61 CO 0.00 0.51 0.00 0.00 -0.40 0.00 0.00 176.91 177.02 1nwi h ALA 62 N 1.59 1.00 -1.99 0.39 0.00 -1.85 -3.41 119.26 114.98 1nwi h ALA 62 Ca 0.48 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.79 1nwi h ALA 62 Cb 0.69 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.37 1nwi h ALA 62 CO -0.25 0.00 0.52 1.21 0.00 0.00 0.00 179.25 180.73 1nwi s ASN 63 N -4.59 6.51 0.12 0.00 3.84 -0.63 -4.94 114.94 115.25 1nwi s ASN 63 Ca -0.00 0.17 -0.23 0.00 0.21 0.00 0.00 52.86 53.01 1nwi s ASN 63 Cb 0.09 -2.43 -0.07 0.00 -0.55 0.00 0.00 41.25 38.29 1nwi s ASN 63 CO 0.36 -0.96 1.68 0.44 -2.79 0.00 0.00 177.10 175.84 1nwi h ASP 64 N 8.90 -0.36 -0.97 -4.21 3.32 -1.86 -0.41 116.42 120.82 1nwi h ASP 64 Ca -0.24 0.06 0.11 0.00 0.02 0.00 0.00 57.03 56.97 1nwi h ASP 64 Cb 1.08 0.16 -0.08 0.00 0.22 0.00 0.00 39.33 40.71 1nwi h ASP 64 CO 0.99 -0.17 0.62 0.11 -1.72 0.00 0.00 179.24 179.07 1nwi h LYS 65 N -0.19 0.95 -0.26 3.56 1.57 -1.92 0.16 116.57 120.44 1nwi h LYS 65 Ca 0.05 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1nwi h LYS 65 Cb 0.27 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1nwi h LYS 65 CO -0.14 0.63 -0.57 1.25 -0.57 0.00 0.00 179.45 180.04 1nwi h LEU 66 N 0.98 0.93 -0.81 2.94 5.85 -1.70 -2.00 115.31 121.50 1nwi h LEU 66 Ca 0.46 -0.51 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 1nwi h LEU 66 Cb 0.43 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1nwi h LEU 66 CO -0.22 1.30 -0.22 -0.09 -0.34 0.00 0.00 178.44 178.87 1nwi h ARG 67 N 0.63 0.64 -0.40 1.25 2.43 -0.15 0.23 114.38 119.02 1nwi h ARG 67 Ca 0.01 -0.25 -0.10 0.00 -0.81 0.00 0.00 59.98 58.83 1nwi h ARG 67 Cb 1.18 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1nwi h ARG 67 CO 0.12 0.82 -0.14 0.78 -1.51 0.00 0.00 179.97 180.04 1nwi h GLY 68 N 0.99 0.87 0.94 2.80 0.00 -0.64 -2.06 103.07 105.97 1nwi h GLY 68 Ca 0.08 -0.74 -0.07 0.00 0.00 0.00 0.00 47.33 46.60 1nwi h GLY 68 CO 0.05 0.68 -0.06 0.84 0.00 0.00 0.00 176.54 178.05 1nwi h HIS 69 N 0.61 0.75 -0.51 5.60 -0.00 -1.20 -2.22 115.15 118.19 1nwi h HIS 69 Ca 0.10 -0.15 0.02 0.00 -0.00 0.00 0.00 60.37 60.33 1nwi h HIS 69 Cb 0.68 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.87 1nwi h HIS 69 CO 0.05 0.81 0.31 0.77 -0.00 0.00 0.00 177.93 179.88 1nwi h SER 70 N 0.47 0.51 -0.43 3.26 0.02 -0.89 -0.60 113.55 115.89 1nwi h SER 70 Ca 0.09 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 1nwi h SER 70 Cb 0.55 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1nwi h SER 70 CO 0.03 0.36 -0.02 0.40 -1.14 0.00 0.00 176.83 176.46 1nwi h ILE 71 N 0.62 1.26 -0.08 3.27 2.04 -1.34 -2.89 117.51 120.39 1nwi h ILE 71 Ca 0.20 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 1nwi h ILE 71 Cb -0.00 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1nwi h ILE 71 CO -0.08 0.37 -0.21 0.74 0.00 0.00 0.00 178.15 178.97 1nwi h THR 72 N 0.62 1.19 -0.62 -0.27 2.02 -1.13 -2.65 112.91 112.07 1nwi h THR 72 Ca 0.12 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 1nwi h THR 72 Cb 0.53 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1nwi h THR 72 CO 0.03 0.26 0.31 0.25 0.37 0.00 0.00 175.52 176.74 1nwi h LEU 73 N 0.12 0.80 -2.13 2.58 6.46 -0.90 -2.55 115.31 119.68 1nwi h LEU 73 Ca 0.02 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1nwi h LEU 73 Cb 0.44 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1nwi h LEU 73 CO 0.03 0.69 -0.06 0.24 -0.62 0.00 0.00 178.44 178.72 1nwi h MET 74 N 0.85 0.00 0.00 1.25 2.86 -1.36 -1.90 114.93 116.63 1nwi h MET 74 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1nwi h MET 74 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1nwi h MET 74 CO -0.03 0.06 -0.10 1.88 1.06 0.00 0.00 176.91 179.78 1nwi h TYR 75 N 0.00 0.00 -0.02 -0.22 0.05 -1.44 -1.66 116.97 113.68 1nwi h TYR 75 Ca -0.00 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.52 1nwi h TYR 75 Cb 0.27 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.03 1nwi h TYR 75 CO 0.00 0.00 -1.00 0.00 -1.05 0.00 0.00 178.16 176.11 1nwi h ALA 76 N 2.04 0.15 -0.57 3.88 0.00 -1.31 -2.07 119.26 121.38 1nwi h ALA 76 Ca 0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 54.91 54.13 1nwi h ALA 76 Cb 0.98 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1nwi h ALA 76 CO 0.00 0.67 -0.03 -0.07 0.00 0.00 0.00 179.25 179.82 1nwi h LEU 77 N 0.40 1.01 -0.75 0.00 3.38 -1.44 -1.76 115.31 116.14 1nwi h LEU 77 Ca -0.12 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.60 1nwi h LEU 77 Cb 1.65 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 42.07 1nwi h LEU 77 CO 0.20 1.07 0.46 -0.61 0.09 0.00 0.00 178.44 179.65 1nwi h GLN 78 N 0.93 0.85 0.29 1.13 5.75 -1.26 -1.23 115.11 121.57 1nwi h GLN 78 Ca 0.16 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1nwi h GLN 78 Cb 0.58 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.94 1nwi h GLN 78 CO 0.03 0.56 -0.17 -0.97 -2.65 0.00 0.00 178.83 175.64 1nwi h ASN 79 N 0.87 -0.43 -0.66 -0.69 -0.00 -0.84 -1.47 115.58 112.36 1nwi h ASN 79 Ca 0.32 0.03 0.07 0.00 -0.00 0.00 0.00 56.30 56.71 1nwi h ASN 79 Cb 0.10 0.13 -0.06 0.00 -0.00 0.00 0.00 38.32 38.48 1nwi h ASN 79 CO -0.14 -0.28 0.35 -0.26 -0.00 0.00 0.00 177.43 177.10 1nwi h PHE 80 N -0.44 0.63 -0.82 0.67 0.04 -0.91 -1.78 116.94 114.33 1nwi h PHE 80 Ca -0.03 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.78 1nwi h PHE 80 Cb 0.36 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.28 1nwi h PHE 80 CO -0.08 0.28 0.54 0.82 -0.60 0.00 0.00 178.31 179.26 1nwi h ILE 81 N 0.63 1.18 0.00 -0.55 1.08 -1.00 -2.05 117.51 116.80 1nwi h ILE 81 Ca 0.31 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1nwi h ILE 81 Cb 0.24 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.00 1nwi h ILE 81 CO -0.21 0.20 0.00 0.47 -0.69 0.00 0.00 178.15 177.92 1nwi n ASP 82 N -4.54 0.72 -0.70 1.72 8.00 -0.58 -2.76 116.55 118.41 1nwi n ASP 82 Ca 0.09 0.67 0.12 0.00 0.71 0.00 0.00 54.79 56.38 1nwi n ASP 82 Cb 0.04 -0.82 0.17 0.00 -0.02 0.00 0.00 41.12 40.48 1nwi n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nwi n GLN 83 N -2.28 1.81 0.29 -1.24 1.13 -0.78 -4.45 117.38 111.86 1nwi n GLN 83 Ca 0.02 -1.42 0.18 0.00 -1.94 0.00 0.00 57.00 53.85 1nwi n GLN 83 Cb 0.25 -1.47 0.95 0.00 0.11 0.00 0.00 30.24 30.08 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 3.46 0.00 -0.36 1.08 3.38 -1.39 -1.58 115.31 119.89 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 0.82 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1nwi h LEU 84 CO 0.00 0.00 -0.79 0.44 0.09 0.00 0.00 178.44 178.18 1nwi h ASP 85 N 0.00 0.00 -3.63 -0.43 3.32 -1.84 -3.41 116.42 110.44 1nwi h ASP 85 Ca 0.03 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.44 1nwi h ASP 85 Cb 0.41 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.56 1nwi h ASP 85 CO -0.00 0.79 -0.72 0.21 -1.72 0.00 0.00 179.24 177.80 1nwi s ASN 86 N -6.74 4.50 0.60 6.45 3.84 -0.59 -4.98 114.94 118.02 1nwi s ASN 86 Ca 0.00 -2.15 0.29 0.00 0.21 0.00 0.00 52.86 51.22 1nwi s ASN 86 Cb 0.11 -1.43 1.64 0.00 -0.55 0.00 0.00 41.25 41.02 1nwi s ASN 86 CO 0.79 -0.37 2.05 1.55 -2.79 0.00 0.00 177.10 178.32 1nwi h PRO 87 N 7.56 0.00 -0.20 0.43 0.13 -1.80 -0.12 132.00 138.00 1nwi h PRO 87 Ca -0.06 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.91 1nwi h PRO 87 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1nwi h PRO 87 CO 0.52 0.00 -0.51 -0.44 -0.23 0.00 0.00 178.00 177.35 1nwi h ASP 88 N 0.00 0.62 0.38 1.44 3.32 -1.94 -1.96 116.42 118.29 1nwi h ASP 88 Ca 0.11 -0.32 -0.28 0.00 0.02 0.00 0.00 57.03 56.56 1nwi h ASP 88 Cb 0.65 -0.18 0.02 0.00 0.22 0.00 0.00 39.33 40.04 1nwi h ASP 88 CO -0.00 1.02 -1.20 0.44 -1.72 0.00 0.00 179.24 177.77 1nwi h ASP 89 N 0.45 0.63 -0.89 6.45 3.32 -1.36 -2.84 116.42 122.17 1nwi h ASP 89 Ca 0.02 -0.60 -0.02 0.00 0.02 0.00 0.00 57.03 56.45 1nwi h ASP 89 Cb 1.04 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 1nwi h ASP 89 CO 0.10 1.44 0.50 0.25 -1.72 0.00 0.00 179.24 179.80 1nwi h LEU 90 N 0.18 1.10 -0.31 1.55 5.85 -1.27 -1.83 115.31 120.58 1nwi h LEU 90 Ca -0.15 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 1nwi h LEU 90 Cb 1.89 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 1nwi h LEU 90 CO 0.21 0.88 -0.09 0.58 -0.34 0.00 0.00 178.44 179.69 1nwi h VAL 91 N 1.24 1.28 0.00 1.05 2.07 -1.38 -1.51 116.25 119.01 1nwi h VAL 91 Ca 0.32 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 1nwi h VAL 91 Cb 0.01 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1nwi h VAL 91 CO -0.05 0.37 -0.33 0.00 0.02 0.00 0.00 177.57 177.57 1nwi h VAL 93 N 0.00 1.40 -0.63 0.00 -1.51 -1.26 -2.74 116.25 111.51 1nwi h VAL 93 Ca -0.00 -2.94 -0.08 0.00 -1.23 0.00 0.00 66.70 62.44 1nwi h VAL 93 Cb 0.69 2.95 -0.02 0.00 -2.13 0.00 0.00 31.29 32.78 1nwi h VAL 93 CO 0.04 0.87 0.08 0.58 -1.23 0.00 0.00 177.57 177.91 1nwi h VAL 94 N 0.09 1.26 -0.57 7.19 2.07 -1.12 -0.13 116.25 125.05 1nwi h VAL 94 Ca -0.18 -1.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.19 1nwi h VAL 94 Cb 2.03 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 1nwi h VAL 94 CO 0.22 0.39 -0.04 -0.33 0.02 0.00 0.00 177.57 177.82 1nwi h GLU 95 N 0.97 1.04 -0.78 1.57 5.08 -1.41 -0.74 114.58 120.30 1nwi h GLU 95 Ca 0.19 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1nwi h GLU 95 Cb 0.46 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1nwi h GLU 95 CO 0.02 1.04 0.40 -0.22 -1.00 0.00 0.00 179.01 179.25 1nwi h LYS 96 N 0.92 1.10 -0.61 2.33 1.63 -1.23 -2.67 116.57 118.04 1nwi h LYS 96 Ca 0.16 -0.14 -0.05 0.00 -0.85 0.00 0.00 60.65 59.77 1nwi h LYS 96 Cb 0.61 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.00 1nwi h LYS 96 CO 0.04 0.82 0.18 0.35 -3.45 0.00 0.00 179.45 177.39 1nwi h PHE 97 N 1.10 0.99 -0.38 1.91 3.57 -0.48 -3.21 116.94 120.44 1nwi h PHE 97 Ca 0.27 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 1nwi h PHE 97 Cb 0.07 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1nwi h PHE 97 CO 0.01 0.82 -0.17 0.00 -2.23 0.00 0.00 178.31 176.75 1nwi h ALA 98 N 1.06 0.99 -0.51 2.41 0.00 -0.82 -3.35 119.26 119.04 1nwi h ALA 98 Ca 0.19 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1nwi h ALA 98 Cb 0.31 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1nwi h ALA 98 CO -0.00 0.60 -0.30 0.28 0.00 0.00 0.00 179.25 179.82 1nwi n VAL 99 N -4.14 -0.35 -0.07 0.00 0.31 -1.10 -0.19 118.33 112.79 1nwi n VAL 99 Ca 0.01 1.61 0.01 0.00 -0.01 0.00 0.00 64.34 65.96 1nwi n VAL 99 Cb 0.39 -2.02 0.32 0.00 -0.91 0.00 0.00 33.84 31.62 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 0.62 1.15 4.52 4.21 -1.78 -2.01 115.58 122.29 1nwi h ASN 100 Ca 0.08 -0.05 -0.05 0.00 1.21 0.00 0.00 56.30 57.49 1nwi h ASN 100 Cb 0.21 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.25 1nwi h ASN 100 CO -0.48 0.52 -0.23 0.45 -1.29 0.00 0.00 177.43 176.39 1nwi h HIS 101 N 0.70 0.00 0.04 1.19 3.86 -0.76 -2.89 115.15 117.29 1nwi h HIS 101 Ca 0.18 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.15 1nwi h HIS 101 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1nwi h HIS 101 CO 0.00 0.23 -1.02 0.82 0.86 0.00 0.00 177.93 178.82 1nwi h ILE 102 N 0.00 1.41 0.00 2.45 2.04 0.14 -0.38 117.51 123.17 1nwi h ILE 102 Ca -0.00 -2.57 -0.01 0.00 1.00 0.00 0.00 64.86 63.28 1nwi h ILE 102 Cb 0.87 2.55 -0.00 0.00 -0.74 0.00 0.00 36.82 39.50 1nwi h ILE 102 CO 0.03 0.77 -0.03 0.71 0.00 0.00 0.00 178.15 179.63 1nwi h THR 103 N 0.20 0.06 -0.46 -0.27 1.35 -1.32 -0.95 112.91 111.53 1nwi h THR 103 Ca -0.10 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1nwi h THR 103 Cb 1.68 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 1nwi h THR 103 CO 0.18 0.03 0.00 0.54 -0.25 0.00 0.00 175.52 176.01 1nwi n ARG 104 N -3.12 2.65 -3.88 4.72 1.74 -1.10 -4.92 116.66 112.74 1nwi n ARG 104 Ca 0.01 -1.89 -0.25 0.00 -0.77 0.00 0.00 57.85 54.95 1nwi n ARG 104 Cb 0.37 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.76 -4.17 -3.34 5.56 4.01 -0.36 -4.92 118.16 115.70 1nwi n LYS 105 Ca 0.17 0.51 -0.42 0.00 -0.51 0.00 0.00 58.31 58.06 1nwi n LYS 105 Cb 0.58 -4.94 -0.09 0.00 -0.51 0.00 0.00 35.03 30.07 1nwi n LYS 105 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1nwi s ILE 106 N -3.71 5.11 0.79 -0.18 -1.09 -0.16 -5.03 121.20 116.93 1nwi s ILE 106 Ca 0.15 -0.12 -0.12 0.00 -2.23 0.00 0.00 60.65 58.34 1nwi s ILE 106 Cb -0.08 -3.95 0.07 0.00 -1.58 0.00 0.00 42.46 36.92 1nwi s ILE 106 CO 0.86 -0.27 1.14 -0.94 -1.23 0.00 0.00 174.94 174.49 1nwi s SER 107 N 1.78 4.62 0.43 3.58 1.04 -1.26 -4.67 113.70 119.22 1nwi s SER 107 Ca 0.13 0.99 0.11 0.00 0.48 0.00 0.00 55.95 57.65 1nwi s SER 107 Cb -0.17 -1.63 0.95 0.00 0.10 0.00 0.00 66.02 65.28 1nwi s SER 107 CO 0.13 -1.86 2.03 0.00 0.98 0.00 0.00 173.24 174.52 1nwi h ALA 108 N -1.02 1.71 -0.18 5.32 0.00 -1.90 0.15 119.26 123.35 1nwi h ALA 108 Ca -0.47 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 1nwi h ALA 108 Cb 1.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nwi h ALA 108 CO 0.64 0.22 -0.24 0.00 0.00 0.00 0.00 179.25 179.87 1nwi h ALA 109 N 1.78 0.27 0.00 0.00 0.00 -1.95 -1.70 119.26 117.67 1nwi h ALA 109 Ca 0.07 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1nwi h ALA 109 Cb 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1nwi h ALA 109 CO -0.00 0.25 -0.00 0.93 0.00 0.00 0.00 179.25 180.42 1nwi h GLU 110 N 0.14 -0.01 -0.66 0.00 4.39 -1.73 -2.65 114.58 114.06 1nwi h GLU 110 Ca 0.02 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.74 1nwi h GLU 110 Cb 0.81 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 1nwi h GLU 110 CO 0.06 -0.00 0.44 0.35 -1.16 0.00 0.00 179.01 178.69 1nwi h PHE 111 N -0.01 0.80 0.00 4.33 3.57 -1.00 -1.78 116.94 122.85 1nwi h PHE 111 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1nwi h PHE 111 Cb 0.01 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1nwi h PHE 111 CO -0.08 0.49 0.00 0.78 -2.23 0.00 0.00 178.31 177.26 1nwi h GLY 112 N 0.85 0.00 2.00 2.40 0.00 -0.93 -2.11 103.07 105.28 1nwi h GLY 112 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1nwi h GLY 112 CO -0.06 0.00 0.00 0.50 0.00 0.00 0.00 176.54 176.98 1nwi h LYS 113 N 0.00 0.00 0.00 4.80 1.57 -1.30 -2.21 116.57 119.43 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 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 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 -0.93 1.86 6.09 -1.57 -3.18 117.51 119.78 1nwi h ILE 114 Ca 0.00 -0.51 0.04 0.00 -1.37 0.00 0.00 64.86 63.02 1nwi h ILE 114 Cb 0.29 1.46 -0.05 0.00 0.47 0.00 0.00 36.82 38.99 1nwi h ILE 114 CO 0.00 0.00 0.61 0.78 -3.07 0.00 0.00 178.15 176.47 1nwi h ASN 115 N 0.00 1.00 0.65 2.19 -0.26 -1.62 -1.92 115.58 115.62 1nwi h ASN 115 Ca 0.00 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 1nwi h ASN 115 Cb 0.54 -0.23 0.01 0.00 -1.06 0.00 0.00 38.32 37.58 1nwi h ASN 115 CO 0.00 0.69 -0.31 1.23 -1.06 0.00 0.00 177.43 177.97 1nwi h GLY 116 N 1.16 -0.91 0.49 2.83 0.00 -1.77 -1.53 103.07 103.34 1nwi h GLY 116 Ca 0.37 0.34 0.12 0.00 0.00 0.00 0.00 47.33 48.15 1nwi h GLY 116 CO -0.11 -0.33 0.63 -2.55 0.00 0.00 0.00 176.54 174.18 1nwi h PRO 117 N -0.93 0.96 -0.60 4.80 0.11 -1.70 -1.11 132.00 133.53 1nwi h PRO 117 Ca -0.09 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.93 1nwi h PRO 117 Cb 0.69 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.55 1nwi h PRO 117 CO 0.15 0.64 0.24 0.82 -0.21 0.00 0.00 178.00 179.63 1nwi h ILE 118 N 0.99 1.23 -0.77 4.15 2.04 -1.24 -0.74 117.51 123.17 1nwi h ILE 118 Ca 0.49 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1nwi h ILE 118 Cb 0.49 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1nwi h ILE 118 CO -0.26 0.28 0.36 0.50 0.00 0.00 0.00 178.15 179.03 1nwi h LYS 119 N 0.84 1.11 -0.34 2.37 3.64 -0.17 -1.48 116.57 122.55 1nwi h LYS 119 Ca 0.20 -0.17 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 1nwi h LYS 119 Cb 0.21 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1nwi h LYS 119 CO -0.02 0.88 -0.42 0.87 -2.27 0.00 0.00 179.45 178.49 1nwi h LYS 120 N 1.09 0.89 -0.43 1.90 1.57 -1.00 -0.50 116.57 120.08 1nwi h LYS 120 Ca 0.26 -0.50 -0.09 0.00 -1.87 0.00 0.00 60.65 58.45 1nwi h LYS 120 Cb 0.14 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1nwi h LYS 120 CO -0.03 1.14 -0.11 0.28 -0.57 0.00 0.00 179.45 180.16 1nwi h VAL 121 N 0.69 1.26 -0.18 0.50 2.07 -1.02 -1.01 116.25 118.56 1nwi h VAL 121 Ca 0.04 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 1nwi h VAL 121 Cb 1.02 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1nwi h VAL 121 CO 0.10 0.40 -0.07 -0.07 0.02 0.00 0.00 177.57 177.94 1nwi h LEU 122 N 0.69 0.37 -1.38 2.57 3.38 -1.19 -2.98 115.31 116.76 1nwi h LEU 122 Ca 0.12 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.75 1nwi h LEU 122 Cb 0.58 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1nwi h LEU 122 CO 0.04 0.69 0.47 0.00 0.09 0.00 0.00 178.44 179.73 1nwi h ALA 123 N 0.70 1.71 0.00 1.53 0.00 -0.88 0.21 119.26 122.53 1nwi h ALA 123 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nwi h ALA 123 Cb 0.54 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1nwi h ALA 123 CO 0.02 0.18 -0.02 0.66 0.00 0.00 0.00 179.25 180.09 1nwi h SER 124 N 0.75 0.00 -0.49 0.00 4.64 -1.04 -1.84 113.55 115.56 1nwi h SER 124 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1nwi h SER 124 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1nwi h SER 124 CO -0.10 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.17 1nwi n LYS 125 N -3.15 3.89 -1.98 4.77 4.76 0.60 -4.94 118.16 122.10 1nwi n LYS 125 Ca -0.01 -2.92 -0.09 0.00 -2.87 0.00 0.00 58.31 52.42 1nwi n LYS 125 Cb 0.25 -1.97 -0.01 0.00 -1.84 0.00 0.00 35.03 31.45 1nwi n LYS 125 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1nwi n ASN 126 N 0.45 -3.40 -4.22 4.39 2.85 -0.69 -5.01 115.26 109.63 1nwi n ASN 126 Ca 0.24 0.04 -0.36 0.00 -0.11 0.00 0.00 54.58 54.39 1nwi n ASN 126 Cb 0.97 -2.48 -0.13 0.00 1.24 0.00 0.00 39.78 39.39 1nwi n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1nwi s PHE 127 N -2.44 3.28 0.00 1.20 0.40 -0.33 -4.98 117.98 115.10 1nwi s PHE 127 Ca 0.00 -1.70 0.00 0.00 -0.60 0.00 0.00 56.93 54.63 1nwi s PHE 127 Cb 0.00 -2.28 0.00 0.00 0.51 0.00 0.00 43.02 41.25 1nwi s PHE 127 CO 0.00 -0.78 0.00 0.41 0.70 0.00 0.00 175.22 175.55 1nwi n GLY 128 N 4.71 -1.81 0.38 4.36 0.00 -1.26 -2.90 105.19 108.67 1nwi n GLY 128 Ca -0.12 -1.50 0.15 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.29 0.63 -0.90 1.61 5.19 -1.98 -1.82 116.42 118.86 1nwi h ASP 129 Ca 0.00 0.06 0.14 0.00 -0.62 0.00 0.00 57.03 56.61 1nwi h ASP 129 Cb 0.00 -0.05 -0.07 0.00 0.18 0.00 0.00 39.33 39.39 1nwi h ASP 129 CO 0.00 0.25 0.58 0.50 -3.12 0.00 0.00 179.24 177.45 1nwi h LYS 130 N 0.63 0.71 0.13 3.56 3.64 -1.99 0.23 116.57 123.47 1nwi h LYS 130 Ca 0.52 -0.04 -0.30 0.00 -1.27 0.00 0.00 60.65 59.55 1nwi h LYS 130 Cb 0.97 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1nwi h LYS 130 CO -0.27 0.47 -1.47 1.88 -2.27 0.00 0.00 179.45 177.79 1nwi h TYR 131 N 0.73 0.51 -0.76 1.91 0.05 -1.66 -2.85 116.97 114.89 1nwi h TYR 131 Ca 0.45 -0.37 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 1nwi h TYR 131 Cb 0.69 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.37 1nwi h TYR 131 CO -0.00 1.38 0.44 0.00 -1.05 0.00 0.00 178.16 178.93 1nwi h ALA 132 N 0.48 0.97 -0.10 3.88 0.00 -0.88 -0.85 119.26 122.75 1nwi h ALA 132 Ca -0.22 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1nwi h ALA 132 Cb 2.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1nwi h ALA 132 CO 0.18 0.45 -0.36 -0.91 0.00 0.00 0.00 179.25 178.61 1nwi h ASN 133 N 1.04 0.22 -0.31 0.00 -0.26 -0.67 -1.33 115.58 114.26 1nwi h ASN 133 Ca 0.27 -0.08 -0.04 0.00 -0.56 0.00 0.00 56.30 55.89 1nwi h ASN 133 Cb -0.01 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 1nwi h ASN 133 CO -0.05 0.57 0.05 0.00 -1.06 0.00 0.00 177.43 176.94 1nwi h ALA 134 N 1.44 0.42 0.00 -0.83 0.00 -1.05 -2.50 119.26 116.74 1nwi h ALA 134 Ca 0.02 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1nwi h ALA 134 Cb 0.73 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1nwi h ALA 134 CO 0.06 0.11 -0.39 -1.49 0.00 0.00 0.00 179.25 177.54 1nwi h TRP 135 N 0.34 0.00 -0.42 0.00 4.06 -0.95 -2.35 115.95 116.63 1nwi h TRP 135 Ca 0.09 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.99 1nwi h TRP 135 Cb 0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.49 1nwi h TRP 135 CO 0.02 0.39 0.03 0.00 -3.56 0.00 0.00 178.44 175.32 1nwi h ALA 136 N 1.61 1.27 -0.31 1.49 0.00 -0.95 -0.81 119.26 121.56 1nwi h ALA 136 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1nwi h ALA 136 Cb 0.73 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1nwi h ALA 136 CO 0.05 0.49 0.16 0.87 0.00 0.00 0.00 179.25 180.83 1nwi h LYS 137 N 0.63 0.44 -0.45 0.00 1.79 -0.99 -0.04 116.57 117.95 1nwi h LYS 137 Ca 0.13 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.50 1nwi h LYS 137 Cb 0.35 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 1nwi h LYS 137 CO 0.01 0.39 0.11 1.25 -1.08 0.00 0.00 179.45 180.13 1nwi h LEU 138 N 0.38 0.68 -1.56 2.94 5.85 -1.29 -2.35 115.31 119.95 1nwi h LEU 138 Ca 0.11 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1nwi h LEU 138 Cb 0.08 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1nwi h LEU 138 CO -0.02 0.73 0.27 0.58 -0.34 0.00 0.00 178.44 179.66 1nwi h VAL 139 N 0.59 1.12 -0.33 1.05 2.07 -0.93 -1.25 116.25 118.57 1nwi h VAL 139 Ca 0.14 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1nwi h VAL 139 Cb 0.31 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1nwi h VAL 139 CO 0.00 0.12 0.21 0.00 0.02 0.00 0.00 177.57 177.92 1nwi h ALA 140 N 1.72 1.76 -0.65 1.67 0.00 -0.45 -0.36 119.26 122.95 1nwi h ALA 140 Ca 0.15 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1nwi h ALA 140 Cb -0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1nwi h ALA 140 CO -0.03 0.22 0.12 0.28 0.00 0.00 0.00 179.25 179.84 1nwi h VAL 141 N 0.44 1.26 -0.21 0.00 2.07 -1.09 -1.62 116.25 117.10 1nwi h VAL 141 Ca 0.12 -0.99 -0.19 0.00 0.82 0.00 0.00 66.70 66.46 1nwi h VAL 141 Cb -0.05 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1nwi h VAL 141 CO -0.03 0.37 -0.63 0.58 0.02 0.00 0.00 177.57 177.89 1nwi h VAL 142 N 1.00 1.29 -0.83 2.57 2.07 -1.21 -3.15 116.25 117.99 1nwi h VAL 142 Ca 0.20 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 1nwi h VAL 142 Cb 0.40 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 1nwi h VAL 142 CO 0.01 0.59 0.48 1.56 0.02 0.00 0.00 177.57 180.23 1nwi h GLN 143 N 0.56 1.14 0.00 1.57 4.20 -0.85 -1.53 115.11 120.19 1nwi h GLN 143 Ca -0.01 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1nwi h GLN 143 Cb 1.22 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1nwi h GLN 143 CO 0.13 0.81 0.00 0.00 -0.67 0.00 0.00 178.83 179.10 1nwi n ALA 144 N -2.41 1.50 0.90 3.87 0.00 -0.63 -1.85 120.51 121.87 1nwi n ALA 144 Ca 0.09 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.69 1nwi n ALA 144 Cb 0.08 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 1nwi n ALA 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nwi n ALA 145 N -1.68 3.62 1.51 0.00 0.00 -0.59 -4.11 120.51 119.25 1nwi n ALA 145 Ca 0.02 -0.59 0.14 0.00 0.00 0.00 0.00 53.44 53.00 1nwi n ALA 145 Cb 0.16 -0.70 0.53 0.00 0.00 0.00 0.00 19.45 19.44 1nwi n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78