#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwd n ASP 2 N 0.00 -0.45 -2.56 0.00 8.00 -1.26 -5.13 116.55 115.15 1nwd n ASP 2 Ca 0.00 0.50 -0.05 0.00 0.71 0.00 0.00 54.79 55.95 1nwd n ASP 2 Cb 0.00 0.64 0.01 0.00 -0.02 0.00 0.00 41.12 41.75 1nwd n ASP 2 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1nwd n GLN 3 N -3.43 -2.12 -4.36 -1.24 7.27 -1.26 -5.09 117.38 107.15 1nwd n GLN 3 Ca 0.00 1.93 -0.18 0.00 0.07 0.00 0.00 57.00 58.82 1nwd n GLN 3 Cb 0.00 -4.81 -0.10 0.00 2.41 0.00 0.00 30.24 27.74 1nwd n GLN 3 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 1nwd s LEU 4 N -2.09 2.39 0.03 1.69 0.05 -1.26 -5.18 118.68 114.31 1nwd s LEU 4 Ca 0.16 -1.16 -0.14 0.00 0.05 0.00 0.00 54.13 53.04 1nwd s LEU 4 Cb -0.04 -0.47 0.02 0.00 -2.05 0.00 0.00 46.19 43.65 1nwd s LEU 4 CO 0.62 -0.38 0.30 -0.89 -0.55 0.00 0.00 176.35 175.45 1nwd s THR 5 N -3.20 0.08 -2.00 5.48 2.01 -1.26 -5.05 115.64 111.69 1nwd s THR 5 Ca 0.26 -0.64 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1nwd s THR 5 Cb 0.04 -0.87 0.11 0.00 0.01 0.00 0.00 72.50 71.79 1nwd s THR 5 CO 0.09 -0.35 0.80 -1.84 -0.69 0.00 0.00 174.62 172.62 1nwd n GLU 6 N 0.73 0.61 -0.03 4.92 0.28 -1.26 -3.83 120.64 122.07 1nwd n GLU 6 Ca -0.19 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.69 1nwd n GLU 6 Cb 0.59 -1.10 -0.06 0.00 1.43 0.00 0.00 31.44 32.30 1nwd n GLU 6 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1nwd h GLU 7 N 0.00 0.18 -0.33 3.44 4.39 -2.00 -2.79 114.58 117.47 1nwd h GLU 7 Ca 0.00 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1nwd h GLU 7 Cb 0.00 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1nwd h GLU 7 CO 0.00 0.31 -0.00 0.37 -1.16 0.00 0.00 179.01 178.52 1nwd h GLN 8 N 0.01 0.52 -0.26 2.33 4.15 -2.00 -1.34 115.11 118.52 1nwd h GLN 8 Ca 0.04 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1nwd h GLN 8 Cb 0.20 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1nwd h GLN 8 CO -0.00 0.55 0.17 0.82 -1.93 0.00 0.00 178.83 178.43 1nwd h ILE 9 N 0.50 1.08 -0.84 2.39 2.04 -1.79 -2.07 117.51 118.81 1nwd h ILE 9 Ca 0.11 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1nwd h ILE 9 Cb 0.33 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1nwd h ILE 9 CO 0.01 0.08 0.48 0.00 0.00 0.00 0.00 178.15 178.72 1nwd h ALA 10 N 1.08 1.26 0.22 1.87 0.00 -1.19 -2.44 119.26 120.05 1nwd h ALA 10 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nwd h ALA 10 Cb -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1nwd h ALA 10 CO -0.02 0.62 -0.20 1.49 0.00 0.00 0.00 179.25 181.14 1nwd h GLU 11 N 1.17 -0.42 -0.33 0.00 4.22 -0.92 -1.60 114.58 116.70 1nwd h GLU 11 Ca 0.30 0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.74 1nwd h GLU 11 Cb -0.00 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1nwd h GLU 11 CO -0.05 -0.28 0.07 0.74 -2.18 0.00 0.00 179.01 177.31 1nwd h PHE 12 N -0.44 0.49 0.41 0.92 0.04 -1.32 -0.73 116.94 116.30 1nwd h PHE 12 Ca -0.01 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1nwd h PHE 12 Cb 0.40 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 1nwd h PHE 12 CO -0.14 0.44 -0.41 -0.22 -0.60 0.00 0.00 178.31 177.38 1nwd h LYS 13 N 0.47 -0.81 -0.68 1.51 1.63 -1.13 -2.96 116.57 114.60 1nwd h LYS 13 Ca 0.11 0.06 0.04 0.00 -0.85 0.00 0.00 60.65 60.01 1nwd h LYS 13 Cb 0.20 0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 1nwd h LYS 13 CO -0.00 -0.54 0.41 0.93 -3.45 0.00 0.00 179.45 176.80 1nwd h GLU 14 N -0.84 0.75 -0.31 1.90 5.08 -0.98 -1.69 114.58 118.49 1nwd h GLU 14 Ca -0.04 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1nwd h GLU 14 Cb 0.75 -0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 1nwd h GLU 14 CO -0.07 0.50 -0.16 0.00 -1.00 0.00 0.00 179.01 178.28 1nwd h ALA 15 N 1.32 0.08 0.18 3.43 0.00 -1.10 -1.06 119.26 122.11 1nwd h ALA 15 Ca 0.29 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1nwd h ALA 15 Cb 0.10 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1nwd h ALA 15 CO -0.14 -0.55 -0.09 0.35 0.00 0.00 0.00 179.25 178.83 1nwd h PHE 16 N -0.11 -0.22 -0.83 0.00 3.57 -1.40 -3.33 116.94 114.62 1nwd h PHE 16 Ca 0.16 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.73 1nwd h PHE 16 Cb 0.36 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 1nwd h PHE 16 CO -0.36 0.05 0.54 1.03 -2.23 0.00 0.00 178.31 177.34 1nwd h SER 17 N -0.49 0.78 -0.70 0.41 0.87 -0.95 -0.58 113.55 112.89 1nwd h SER 17 Ca -0.02 0.01 0.09 0.00 -1.23 0.00 0.00 61.79 60.63 1nwd h SER 17 Cb 0.37 -0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.11 1nwd h SER 17 CO 0.04 0.49 0.36 0.25 -0.53 0.00 0.00 176.83 177.44 1nwd h LEU 18 N 0.88 0.48 -0.00 2.23 6.46 -1.31 -2.43 115.31 121.62 1nwd h LEU 18 Ca 0.36 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 58.17 1nwd h LEU 18 Cb 0.27 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1nwd h LEU 18 CO -0.13 0.28 -0.02 -0.26 -0.62 0.00 0.00 178.44 177.68 1nwd h PHE 19 N 0.62 0.03 -0.78 1.25 -1.00 -1.62 -3.40 116.94 112.04 1nwd h PHE 19 Ca 0.34 -0.01 -0.71 0.00 2.81 0.00 0.00 57.97 60.40 1nwd h PHE 19 Cb 0.33 -0.00 -0.09 0.00 3.61 0.00 0.00 35.95 39.80 1nwd h PHE 19 CO -0.10 0.76 2.41 -3.47 -1.61 0.00 0.00 178.31 176.30 1nwd n ASP 20 N -4.71 4.61 -0.05 2.17 -0.08 -0.26 -4.68 116.55 113.55 1nwd n ASP 20 Ca -0.09 -2.92 -0.15 0.00 -1.51 0.00 0.00 54.79 50.12 1nwd n ASP 20 Cb 0.38 -1.66 -0.07 0.00 2.34 0.00 0.00 41.12 42.11 1nwd n ASP 20 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1nwd h LYS 21 N 6.73 0.57 -1.15 -0.67 6.56 -1.78 -3.35 116.57 123.48 1nwd h LYS 21 Ca 0.47 -0.39 0.32 0.00 -1.06 0.00 0.00 60.65 59.99 1nwd h LYS 21 Cb 0.76 0.06 -0.07 0.00 -0.57 0.00 0.00 32.23 32.41 1nwd h LYS 21 CO 1.61 1.01 0.79 -0.44 -2.06 0.00 0.00 179.45 180.36 1nwd h ASP 22 N 0.22 0.18 0.00 0.86 5.19 -1.92 -3.46 116.42 117.49 1nwd h ASP 22 Ca -0.00 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1nwd h ASP 22 Cb 1.02 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.54 1nwd h ASP 22 CO 0.09 0.02 0.00 0.61 -3.12 0.00 0.00 179.24 176.84 1nwd n GLY 23 N -1.65 2.93 0.44 2.75 0.00 -1.26 -4.88 105.19 103.53 1nwd n GLY 23 Ca 0.26 -0.79 0.25 0.00 0.00 0.00 0.00 46.02 45.74 1nwd n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1nwd h ASP 24 N 0.00 0.00 0.00 1.61 3.04 -1.92 -3.45 116.42 115.69 1nwd h ASP 24 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1nwd h ASP 24 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1nwd h ASP 24 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1nwd n GLY 25 N -1.64 1.23 3.08 7.15 0.00 -1.26 -5.08 105.19 108.67 1nwd n GLY 25 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1nwd n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwd s THR 26 N -2.00 0.13 -0.54 2.61 -4.23 -1.26 -3.29 115.64 107.06 1nwd s THR 26 Ca 0.00 -1.11 0.05 0.00 -1.18 0.00 0.00 61.69 59.45 1nwd s THR 26 Cb 0.00 -0.79 0.18 0.00 1.34 0.00 0.00 72.50 73.23 1nwd s THR 26 CO 0.00 -0.61 0.44 -0.38 -0.54 0.00 0.00 174.62 173.53 1nwd n ILE 27 N 0.93 0.15 -1.40 2.99 5.41 -1.10 -4.91 119.36 121.43 1nwd n ILE 27 Ca -0.20 -4.14 -0.30 0.00 1.00 0.00 0.00 62.75 59.11 1nwd n ILE 27 Cb 0.58 -1.91 0.23 0.00 -0.71 0.00 0.00 39.64 37.82 1nwd n ILE 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1nwd s THR 28 N -0.78 1.72 0.20 1.39 -1.32 -1.26 -4.11 115.64 111.48 1nwd s THR 28 Ca 0.30 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.65 1nwd s THR 28 Cb 0.02 -2.68 0.17 0.00 -1.51 0.00 0.00 72.50 68.50 1nwd s THR 28 CO -0.17 0.00 1.66 0.71 -2.21 0.00 0.00 174.62 174.61 1nwd h THR 29 N -2.30 0.52 0.43 5.08 1.35 -1.88 -0.53 112.91 115.59 1nwd h THR 29 Ca -0.44 -0.03 -0.01 0.00 -0.55 0.00 0.00 66.41 65.39 1nwd h THR 29 Cb 1.27 0.44 -0.03 0.00 -1.73 0.00 0.00 68.15 68.10 1nwd h THR 29 CO 0.33 0.01 -0.51 0.50 -0.25 0.00 0.00 175.52 175.61 1nwd h LYS 30 N 0.08 -0.92 -0.28 4.72 3.11 -1.95 -2.06 116.57 119.27 1nwd h LYS 30 Ca 0.28 0.06 0.04 0.00 -2.81 0.00 0.00 60.65 58.22 1nwd h LYS 30 Cb 0.43 0.21 -0.04 0.00 -1.00 0.00 0.00 32.23 31.84 1nwd h LYS 30 CO -0.50 -0.62 0.05 0.93 -2.81 0.00 0.00 179.45 176.51 1nwd h GLU 31 N -0.96 0.15 -0.15 1.90 5.08 -1.77 -0.53 114.58 118.30 1nwd h GLU 31 Ca -0.05 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1nwd h GLU 31 Cb 0.85 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 1nwd h GLU 31 CO -0.10 0.10 -0.14 1.25 -1.00 0.00 0.00 179.01 179.12 1nwd h LEU 32 N 0.16 -0.44 -0.69 1.33 7.12 -1.14 -1.71 115.31 119.95 1nwd h LEU 32 Ca 0.13 0.09 0.09 0.00 0.13 0.00 0.00 57.88 58.32 1nwd h LEU 32 Cb 0.13 0.22 -0.07 0.00 -0.53 0.00 0.00 40.66 40.41 1nwd h LEU 32 CO -0.17 -0.18 0.33 1.23 -0.13 0.00 0.00 178.44 179.52 1nwd h GLY 33 N -0.16 1.02 1.00 3.75 0.00 -0.98 -2.69 103.07 105.00 1nwd h GLY 33 Ca 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1nwd h GLY 33 CO -0.25 0.05 0.36 -0.84 0.00 0.00 0.00 176.54 175.86 1nwd h THR 34 N 0.57 1.18 -0.24 4.70 2.02 -0.57 0.39 112.91 120.96 1nwd h THR 34 Ca 0.34 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 67.18 1nwd h THR 34 Cb 0.36 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 1nwd h THR 34 CO -0.27 0.18 -0.09 0.58 0.37 0.00 0.00 175.52 176.29 1nwd h VAL 35 N 0.80 0.69 0.00 3.16 2.07 -1.02 -2.42 116.25 119.52 1nwd h VAL 35 Ca 0.21 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.68 1nwd h VAL 35 Cb -0.02 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1nwd h VAL 35 CO -0.04 0.00 -0.24 0.24 0.02 0.00 0.00 177.57 177.55 1nwd h MET 36 N -0.05 0.00 0.87 1.57 2.86 -1.18 -3.33 114.93 115.67 1nwd h MET 36 Ca 0.12 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1nwd h MET 36 Cb 0.24 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.91 1nwd h MET 36 CO -0.27 0.24 -0.42 -0.09 1.06 0.00 0.00 176.91 177.43 1nwd h ARG 37 N 0.00 -1.13 -0.36 1.72 9.65 -0.40 -1.20 114.38 122.66 1nwd h ARG 37 Ca -0.00 0.08 0.08 0.00 -1.10 0.00 0.00 59.98 59.03 1nwd h ARG 37 Cb 0.57 0.26 -0.08 0.00 -1.39 0.00 0.00 29.97 29.32 1nwd h ARG 37 CO 0.03 -0.74 -0.22 1.03 2.80 0.00 0.00 179.97 182.86 1nwd h SER 38 N -1.23 -0.75 0.10 -3.80 0.87 -1.68 -2.24 113.55 104.82 1nwd h SER 38 Ca -0.12 0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1nwd h SER 38 Cb 0.90 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1nwd h SER 38 CO 0.20 -0.25 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.13 1nwd h LEU 39 N -0.17 -0.11 0.00 2.23 3.38 -1.65 -3.44 115.31 115.55 1nwd h LEU 39 Ca 0.18 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1nwd h LEU 39 Cb 0.45 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1nwd h LEU 39 CO -0.47 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.68 1nwd n GLY 40 N -0.91 -1.86 1.16 0.83 0.00 -0.54 -5.13 105.19 98.74 1nwd n GLY 40 Ca -0.08 0.83 0.15 0.00 0.00 0.00 0.00 46.02 46.92 1nwd n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nwd n GLN 41 N 0.00 -2.47 -3.66 1.61 6.02 -0.69 -4.90 117.38 113.29 1nwd n GLN 41 Ca 0.00 1.80 -0.07 0.00 -0.01 0.00 0.00 57.00 58.72 1nwd n GLN 41 Cb 0.00 -2.96 -0.08 0.00 1.02 0.00 0.00 30.24 28.22 1nwd n GLN 41 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1nwd s ASN 42 N -6.64 -0.75 0.54 1.08 3.84 -1.26 -4.35 114.94 107.40 1nwd s ASN 42 Ca 0.00 1.26 0.00 0.00 0.21 0.00 0.00 52.86 54.33 1nwd s ASN 42 Cb 0.00 1.37 0.00 0.00 -0.55 0.00 0.00 41.25 42.07 1nwd s ASN 42 CO 0.00 -0.22 0.00 -2.65 -2.79 0.00 0.00 177.10 171.44 1nwd n PRO 43 N 4.67 -0.35 -1.65 0.43 -0.02 -1.26 -4.90 135.00 131.93 1nwd n PRO 43 Ca -0.18 0.00 -0.48 0.00 -2.02 0.00 0.00 63.50 60.83 1nwd n PRO 43 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.98 1nwd n PRO 43 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1nwd n THR 44 N -2.15 0.06 0.66 3.45 -2.24 -1.26 -4.89 114.28 107.90 1nwd n THR 44 Ca 0.00 -0.01 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 1nwd n THR 44 Cb 0.00 -1.41 0.40 0.00 -2.10 0.00 0.00 70.33 67.22 1nwd n THR 44 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1nwd n GLU 45 N 3.55 0.02 -0.33 -0.78 0.28 -1.26 -2.84 120.64 119.28 1nwd n GLU 45 Ca 0.18 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.36 1nwd n GLU 45 Cb 0.26 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 31.77 1nwd n GLU 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nwd h ALA 46 N 2.66 1.23 -0.96 -1.84 0.00 -2.00 -2.79 119.26 115.55 1nwd h ALA 46 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nwd h ALA 46 Cb 0.30 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1nwd h ALA 46 CO 0.00 0.40 0.64 0.93 0.00 0.00 0.00 179.25 181.22 1nwd h GLU 47 N 1.10 1.25 -0.06 0.00 4.39 -1.91 -2.53 114.58 116.82 1nwd h GLU 47 Ca 0.38 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 1nwd h GLU 47 Cb 0.08 -0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 28.44 1nwd h GLU 47 CO -0.14 0.83 0.03 -0.07 -1.16 0.00 0.00 179.01 178.50 1nwd h LEU 48 N 1.29 0.07 0.33 1.33 3.38 -1.68 -2.55 115.31 117.48 1nwd h LEU 48 Ca 0.36 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 1nwd h LEU 48 Cb -0.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1nwd h LEU 48 CO -0.08 0.05 -0.16 -0.61 0.09 0.00 0.00 178.44 177.74 1nwd h GLN 49 N 0.08 -0.42 -0.57 1.13 4.15 -1.46 -3.34 115.11 114.67 1nwd h GLN 49 Ca 0.02 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.54 1nwd h GLN 49 Cb -0.00 0.10 -0.10 0.00 0.21 0.00 0.00 27.48 27.69 1nwd h GLN 49 CO -0.00 -0.28 -0.54 -0.44 -1.93 0.00 0.00 178.83 175.63 1nwd h ASP 50 N -0.91 -1.86 -1.01 -0.69 3.32 -1.44 -1.77 116.42 112.07 1nwd h ASP 50 Ca -0.04 0.26 0.24 0.00 0.02 0.00 0.00 57.03 57.51 1nwd h ASP 50 Cb 0.34 0.79 -0.12 0.00 0.22 0.00 0.00 39.33 40.55 1nwd h ASP 50 CO 0.07 -0.36 0.60 0.00 -1.72 0.00 0.00 179.24 177.84 1nwd h MET 51 N -0.28 0.57 0.37 3.56 -0.00 -1.65 -0.13 114.93 117.36 1nwd h MET 51 Ca 0.11 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.76 1nwd h MET 51 Cb 0.55 -0.13 0.00 0.00 -0.00 0.00 0.00 31.60 32.03 1nwd h MET 51 CO -0.69 0.38 -0.18 0.82 -0.00 0.00 0.00 176.91 177.24 1nwd h ILE 52 N 0.58 0.27 0.00 -0.10 1.08 -1.49 -3.35 117.51 114.51 1nwd h ILE 52 Ca 0.64 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1nwd h ILE 52 Cb 1.22 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 35.41 1nwd h ILE 52 CO -0.46 0.06 0.00 0.78 -0.69 0.00 0.00 178.15 177.85 1nwd h ASN 53 N -1.05 0.00 0.49 1.72 2.35 -0.60 -0.60 115.58 117.89 1nwd h ASN 53 Ca -0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1nwd h ASN 53 Cb 0.48 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 1nwd h ASN 53 CO 0.08 0.00 -0.29 -0.33 -1.65 0.00 0.00 177.43 175.25 1nwd h GLU 54 N 0.00 -0.70 0.09 0.81 3.07 -1.17 -3.36 114.58 113.31 1nwd h GLU 54 Ca 0.00 0.05 -0.28 0.00 -0.50 0.00 0.00 59.36 58.63 1nwd h GLU 54 Cb 0.19 0.16 0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1nwd h GLU 54 CO 0.00 -0.46 -1.16 0.28 -1.40 0.00 0.00 179.01 176.26 1nwd h VAL 55 N -0.72 1.34 -3.07 3.13 2.07 -1.62 -3.43 116.25 113.94 1nwd h VAL 55 Ca -0.07 -2.52 -0.57 0.00 0.82 0.00 0.00 66.70 64.37 1nwd h VAL 55 Cb 0.57 2.64 -0.05 0.00 -1.52 0.00 0.00 31.29 32.93 1nwd h VAL 55 CO 0.08 0.76 1.13 -0.62 0.02 0.00 0.00 177.57 178.94 1nwd s ASP 56 N -7.31 6.19 0.14 0.57 -1.08 -0.27 -3.86 116.67 111.05 1nwd s ASP 56 Ca -0.08 0.86 -0.25 0.00 -0.52 0.00 0.00 52.55 52.56 1nwd s ASP 56 Cb 0.07 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 38.97 1nwd s ASP 56 CO 0.91 -1.55 1.62 0.00 0.52 0.00 0.00 175.17 176.67 1nwd h ALA 57 N 11.34 -0.34 -0.44 3.66 0.00 -1.85 -2.56 119.26 129.06 1nwd h ALA 57 Ca -0.29 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1nwd h ALA 57 Cb 1.12 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1nwd h ALA 57 CO 1.09 -0.78 0.15 0.38 0.00 0.00 0.00 179.25 180.09 1nwd h ASP 58 N -0.38 0.59 -5.80 0.00 3.04 -1.92 -3.48 116.42 108.47 1nwd h ASP 58 Ca 0.10 -0.07 -0.35 0.00 -3.24 0.00 0.00 57.03 53.46 1nwd h ASP 58 Cb 0.53 -0.15 0.13 0.00 -1.04 0.00 0.00 39.33 38.80 1nwd h ASP 58 CO -0.34 0.56 -0.83 0.61 -2.04 0.00 0.00 179.24 177.20 1nwd n GLY 59 N -1.08 -0.59 0.07 7.15 0.00 -0.96 -4.96 105.19 104.82 1nwd n GLY 59 Ca 0.03 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 1nwd n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1nwd h ASN 60 N -1.70 -0.00 0.00 1.61 -0.26 -1.92 -3.49 115.58 109.82 1nwd h ASN 60 Ca -0.61 -0.92 0.00 0.00 -0.56 0.00 0.00 56.30 54.22 1nwd h ASN 60 Cb 1.34 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.60 1nwd h ASN 60 CO 0.51 0.95 0.00 0.61 -1.06 0.00 0.00 177.43 178.44 1nwd n GLY 61 N 1.61 1.97 2.81 2.83 0.00 -1.26 -5.12 105.19 108.03 1nwd n GLY 61 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 1nwd n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwd s THR 62 N -2.00 -0.43 -0.79 2.61 -4.23 -1.26 -4.51 115.64 105.03 1nwd s THR 62 Ca 0.00 -0.71 -0.26 0.00 -1.18 0.00 0.00 61.69 59.54 1nwd s THR 62 Cb 0.00 -0.76 0.01 0.00 1.34 0.00 0.00 72.50 73.09 1nwd s THR 62 CO 0.00 -0.48 1.55 -0.51 -0.54 0.00 0.00 174.62 174.64 1nwd s ILE 63 N 1.84 3.64 1.13 2.99 1.10 -1.26 -4.87 121.20 125.78 1nwd s ILE 63 Ca 0.14 0.01 -0.19 0.00 -0.51 0.00 0.00 60.65 60.09 1nwd s ILE 63 Cb -0.14 -4.59 0.28 0.00 0.15 0.00 0.00 42.46 38.16 1nwd s ILE 63 CO -0.15 -1.52 1.15 0.47 -2.11 0.00 0.00 174.94 172.78 1nwd n ASP 64 N 10.71 -1.39 0.17 4.50 9.92 -1.26 -2.71 116.55 136.48 1nwd n ASP 64 Ca 0.19 -1.26 -0.14 0.00 -0.53 0.00 0.00 54.79 53.05 1nwd n ASP 64 Cb 0.50 -0.99 -0.07 0.00 -0.64 0.00 0.00 41.12 39.92 1nwd n ASP 64 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1nwd h PHE 65 N -2.42 -0.55 -0.23 1.24 3.04 -1.94 -0.35 116.94 115.74 1nwd h PHE 65 Ca -0.41 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.54 1nwd h PHE 65 Cb 1.22 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.92 1nwd h PHE 65 CO 0.00 -0.32 0.14 -1.35 -2.02 0.00 0.00 178.31 174.77 1nwd h PRO 66 N -0.47 0.31 -0.34 6.41 0.11 -1.94 -2.90 132.00 133.17 1nwd h PRO 66 Ca -0.01 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 1nwd h PRO 66 Cb 0.43 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 1nwd h PRO 66 CO -0.02 0.24 -0.00 0.93 -0.21 0.00 0.00 178.00 178.93 1nwd h GLU 67 N 0.30 0.53 -0.02 1.05 5.08 -1.89 -1.94 114.58 117.69 1nwd h GLU 67 Ca 0.08 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1nwd h GLU 67 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1nwd h GLU 67 CO -0.02 0.56 -0.06 0.35 -1.00 0.00 0.00 179.01 178.85 1nwd h PHE 68 N 0.51 0.10 -0.56 4.33 3.57 -1.04 -0.57 116.94 123.28 1nwd h PHE 68 Ca 0.11 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1nwd h PHE 68 Cb 0.33 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.00 1nwd h PHE 68 CO 0.01 0.67 0.22 1.25 -2.23 0.00 0.00 178.31 178.23 1nwd h LEU 69 N -0.50 0.25 0.33 0.59 6.46 -1.42 -2.01 115.31 119.02 1nwd h LEU 69 Ca -0.00 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1nwd h LEU 69 Cb 0.67 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.59 1nwd h LEU 69 CO 0.01 0.17 -0.51 0.74 -0.62 0.00 0.00 178.44 178.23 1nwd h THR 70 N 0.42 0.00 -0.93 1.05 2.02 -1.40 -0.57 112.91 113.50 1nwd h THR 70 Ca 0.27 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.70 1nwd h THR 70 Cb 0.28 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.52 1nwd h THR 70 CO -0.25 0.00 0.09 -0.03 0.37 0.00 0.00 175.52 175.70 1nwd h MET 71 N -0.88 0.06 0.15 6.66 1.85 -0.40 0.21 114.93 122.58 1nwd h MET 71 Ca -0.04 -0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.04 1nwd h MET 71 Cb 0.81 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.82 1nwd h MET 71 CO -0.16 0.04 -0.07 0.52 -0.40 0.00 0.00 176.91 176.84 1nwd h MET 72 N 0.06 -0.20 0.00 0.39 2.07 -1.37 -3.39 114.93 112.50 1nwd h MET 72 Ca 0.57 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 58.21 1nwd h MET 72 Cb 1.17 0.04 0.00 0.00 -1.87 0.00 0.00 31.60 30.94 1nwd h MET 72 CO -0.82 -0.13 0.00 0.00 1.07 0.00 0.00 176.91 177.03 1nwd n ALA 73 N -2.50 -0.03 0.12 6.32 0.00 -0.23 -4.71 120.51 119.47 1nwd n ALA 73 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 1nwd n ALA 73 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 1nwd n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nwd h ARG 74 N 0.00 -0.32 0.00 0.00 -0.00 -1.30 -3.46 114.38 109.29 1nwd h ARG 74 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 1nwd h ARG 74 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.04 1nwd h ARG 74 CO 0.00 -0.22 0.00 1.17 0.00 0.00 0.00 179.97 180.92 1nwd n LYS 75 N -3.81 0.00 -1.13 0.04 4.81 0.59 -3.48 118.16 115.17 1nwd n LYS 75 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1nwd n LYS 75 Cb 0.13 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.18 1nwd n LYS 75 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1nwd n MET 76 N 3.00 -3.22 -2.57 1.64 2.81 -1.25 -4.65 117.12 112.87 1nwd n MET 76 Ca 0.00 2.36 -0.42 0.00 -1.81 0.00 0.00 57.70 57.83 1nwd n MET 76 Cb 0.00 -2.63 -0.01 0.00 -0.71 0.00 0.00 33.22 29.87 1nwd n MET 76 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1nwd s LYS 77 N -3.69 3.87 0.38 0.03 2.36 -1.26 -4.84 119.74 116.58 1nwd s LYS 77 Ca 0.00 -1.73 -0.10 0.00 -2.55 0.00 0.00 55.97 51.59 1nwd s LYS 77 Cb 0.00 -5.48 0.04 0.00 -1.05 0.00 0.00 37.83 31.33 1nwd s LYS 77 CO 0.00 -2.24 0.67 -0.51 1.55 0.00 0.00 175.35 174.81 1nwd s ASP 78 N 4.46 0.44 0.00 1.43 1.01 -1.26 -4.79 116.67 117.95 1nwd s ASP 78 Ca 0.52 -1.33 0.00 0.00 0.71 0.00 0.00 52.55 52.45 1nwd s ASP 78 Cb 0.03 0.79 0.00 0.00 1.01 0.00 0.00 42.92 44.74 1nwd s ASP 78 CO 0.02 -1.56 0.21 0.35 0.21 0.00 0.00 175.17 174.40 1nwd n THR 79 N -0.56 0.00 -2.55 -1.27 -2.24 -1.26 -4.54 114.28 101.86 1nwd n THR 79 Ca -0.05 0.49 -0.41 0.00 -2.27 0.00 0.00 64.05 61.82 1nwd n THR 79 Cb 0.61 -1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 1nwd n THR 79 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nwd s ASP 80 N -1.85 6.49 -0.07 3.42 1.01 -1.26 -4.68 116.67 119.73 1nwd s ASP 80 Ca 0.00 -1.53 -0.03 0.00 0.71 0.00 0.00 52.55 51.70 1nwd s ASP 80 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1nwd s ASP 80 CO 0.00 -1.52 -0.09 -1.20 0.21 0.00 0.00 175.17 172.57 1nwd n SER 81 N 9.00 0.92 0.21 0.27 7.64 -1.26 -4.06 113.62 126.33 1nwd n SER 81 Ca 0.35 0.07 0.13 0.00 1.01 0.00 0.00 58.87 60.43 1nwd n SER 81 Cb 0.50 -0.20 0.74 0.00 -1.01 0.00 0.00 64.21 64.24 1nwd n SER 81 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1nwd h GLU 82 N -0.23 0.00 -0.12 1.43 4.11 -1.83 -1.83 114.58 116.12 1nwd h GLU 82 Ca -0.18 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.07 1nwd h GLU 82 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1nwd h GLU 82 CO -0.10 0.00 -0.66 1.49 0.07 0.00 0.00 179.01 179.81 1nwd h GLU 83 N 0.00 0.46 -1.01 1.06 4.81 -1.88 -3.07 114.58 114.96 1nwd h GLU 83 Ca 0.06 -0.34 0.09 0.00 -0.13 0.00 0.00 59.36 59.04 1nwd h GLU 83 Cb 0.28 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.64 1nwd h GLU 83 CO -0.00 0.97 0.64 1.49 -0.73 0.00 0.00 179.01 181.38 1nwd h GLU 84 N 0.33 1.07 0.20 1.92 4.81 -1.47 0.02 114.58 121.46 1nwd h GLU 84 Ca -0.02 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1nwd h GLU 84 Cb 1.23 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1nwd h GLU 84 CO 0.12 0.71 -0.10 0.82 -0.73 0.00 0.00 179.01 179.83 1nwd h ILE 85 N 1.10 0.80 -0.71 2.32 1.08 -1.55 -2.22 117.51 118.34 1nwd h ILE 85 Ca 0.46 -0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.93 1nwd h ILE 85 Cb 0.31 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 1nwd h ILE 85 CO -0.21 0.00 0.43 -0.09 -0.69 0.00 0.00 178.15 177.59 1nwd h ARG 86 N -0.27 0.95 -0.33 2.37 2.43 -1.21 0.12 114.38 118.44 1nwd h ARG 86 Ca -0.03 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1nwd h ARG 86 Cb 0.21 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1nwd h ARG 86 CO 0.05 0.66 0.13 0.93 -1.51 0.00 0.00 179.97 180.22 1nwd h GLU 87 N 0.97 0.49 0.00 0.20 5.08 -1.04 -2.71 114.58 117.57 1nwd h GLU 87 Ca 0.26 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1nwd h GLU 87 Cb -0.05 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1nwd h GLU 87 CO -0.05 0.49 -0.13 0.00 -1.00 0.00 0.00 179.01 178.32 1nwd h ALA 88 N 0.97 1.28 0.18 3.43 0.00 -0.66 -1.83 119.26 122.62 1nwd h ALA 88 Ca 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nwd h ALA 88 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1nwd h ALA 88 CO -0.01 0.16 -0.08 0.74 0.00 0.00 0.00 179.25 180.06 1nwd h PHE 89 N 0.00 -0.22 -0.64 0.00 -1.00 -0.81 -1.24 116.94 113.03 1nwd h PHE 89 Ca -0.00 -0.01 0.09 0.00 2.81 0.00 0.00 57.97 60.87 1nwd h PHE 89 Cb 0.37 0.07 -0.07 0.00 3.61 0.00 0.00 35.95 39.93 1nwd h PHE 89 CO 0.00 0.01 0.26 0.00 -1.61 0.00 0.00 178.31 176.97 1nwd h ARG 90 N -0.41 0.45 0.51 1.51 2.47 -1.08 0.18 114.38 118.00 1nwd h ARG 90 Ca -0.02 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 1nwd h ARG 90 Cb 0.32 -0.10 0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1nwd h ARG 90 CO 0.04 0.30 -0.25 0.28 0.56 0.00 0.00 179.97 180.90 1nwd h VAL 91 N 0.46 0.48 0.08 2.04 2.07 -1.39 -3.40 116.25 116.59 1nwd h VAL 91 Ca 0.32 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 1nwd h VAL 91 Cb 0.38 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1nwd h VAL 91 CO -0.30 0.03 -0.04 0.15 0.02 0.00 0.00 177.57 177.43 1nwd h PHE 92 N -0.78 -0.09 -3.81 1.57 3.04 -0.91 -3.45 116.94 112.50 1nwd h PHE 92 Ca -0.07 -0.00 -0.50 0.00 3.98 0.00 0.00 57.97 61.38 1nwd h PHE 92 Cb 0.57 0.03 0.01 0.00 2.56 0.00 0.00 35.95 39.12 1nwd h PHE 92 CO -0.02 -0.06 0.45 0.34 -2.02 0.00 0.00 178.31 177.00 1nwd s ASP 93 N -3.62 7.29 0.00 0.41 2.15 0.59 -4.67 116.67 118.81 1nwd s ASP 93 Ca -0.01 2.20 0.25 0.00 0.43 0.00 0.00 52.55 55.41 1nwd s ASP 93 Cb 0.00 -2.62 1.45 0.00 -0.30 0.00 0.00 42.92 41.45 1nwd s ASP 93 CO 0.04 -0.12 1.94 0.29 -0.17 0.00 0.00 175.17 177.15 1nwd n LYS 94 N 1.13 1.03 0.01 4.34 4.76 -1.26 -4.19 118.16 123.98 1nwd n LYS 94 Ca -0.01 -0.05 -0.01 0.00 -2.87 0.00 0.00 58.31 55.38 1nwd n LYS 94 Cb 0.46 -1.39 -0.00 0.00 -1.84 0.00 0.00 35.03 32.25 1nwd n LYS 94 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1nwd n ASP 95 N -0.84 0.55 -2.19 4.39 8.00 -1.26 -5.10 116.55 120.10 1nwd n ASP 95 Ca 0.19 0.08 -0.01 0.00 0.71 0.00 0.00 54.79 55.75 1nwd n ASP 95 Cb 0.10 -0.22 0.01 0.00 -0.02 0.00 0.00 41.12 40.98 1nwd n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nwd n GLY 96 N 3.17 -0.57 2.59 0.44 0.00 -1.26 -4.82 105.19 104.75 1nwd n GLY 96 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1nwd n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nwd n ASN 97 N -1.52 1.66 -3.74 1.61 6.94 -1.26 -4.84 115.26 114.12 1nwd n ASN 97 Ca -0.01 -2.12 -0.25 0.00 -0.02 0.00 0.00 54.58 52.19 1nwd n ASN 97 Cb 0.51 -0.45 0.04 0.00 -2.36 0.00 0.00 39.78 37.53 1nwd n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nwd n GLY 98 N -0.46 -0.41 3.47 4.83 0.00 -1.26 -4.99 105.19 106.37 1nwd n GLY 98 Ca 0.09 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.29 1nwd n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nwd s TYR 99 N -3.45 -0.42 -0.26 1.61 2.02 -1.25 -4.12 117.35 111.47 1nwd s TYR 99 Ca 0.33 0.77 -0.00 0.00 -0.37 0.00 0.00 57.07 57.80 1nwd s TYR 99 Cb -0.16 0.25 0.08 0.00 -0.40 0.00 0.00 41.96 41.73 1nwd s TYR 99 CO 0.80 -0.21 0.03 0.42 -1.57 0.00 0.00 175.55 175.02 1nwd s ILE 100 N 1.81 1.13 0.44 2.71 1.01 -0.95 -4.45 121.20 122.91 1nwd s ILE 100 Ca -0.05 -1.25 -0.23 0.00 0.00 0.00 0.00 60.65 59.12 1nwd s ILE 100 Cb -0.04 -1.66 -0.08 0.00 0.01 0.00 0.00 42.46 40.69 1nwd s ILE 100 CO -0.15 -0.39 1.13 -0.55 0.00 0.00 0.00 174.94 174.98 1nwd s SER 101 N 1.53 6.33 0.35 3.58 0.15 -1.26 -1.19 113.70 123.19 1nwd s SER 101 Ca 0.03 2.23 0.06 0.00 0.70 0.00 0.00 55.95 58.96 1nwd s SER 101 Cb -0.18 -2.60 0.73 0.00 -1.71 0.00 0.00 66.02 62.26 1nwd s SER 101 CO -0.14 -0.80 1.93 0.00 1.20 0.00 0.00 173.24 175.43 1nwd h ALA 102 N 2.15 1.71 -0.99 5.45 0.00 -1.97 -1.55 119.26 124.05 1nwd h ALA 102 Ca -0.49 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1nwd h ALA 102 Cb 1.24 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1nwd h ALA 102 CO 0.61 0.14 0.65 0.00 0.00 0.00 0.00 179.25 180.65 1nwd h ALA 103 N 1.59 1.31 -0.08 0.00 0.00 -1.95 -2.81 119.26 117.31 1nwd h ALA 103 Ca 0.36 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 1nwd h ALA 103 Cb 0.37 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1nwd h ALA 103 CO -0.13 0.63 -0.68 0.93 0.00 0.00 0.00 179.25 180.00 1nwd h GLU 104 N 1.32 0.35 0.63 0.00 5.08 -1.69 -3.08 114.58 117.19 1nwd h GLU 104 Ca 0.37 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1nwd h GLU 104 Cb -0.12 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1nwd h GLU 104 CO -0.09 0.90 -0.45 -0.07 -1.00 0.00 0.00 179.01 178.30 1nwd h LEU 105 N 0.25 -1.18 -1.92 1.33 3.38 -1.21 -3.10 115.31 112.85 1nwd h LEU 105 Ca -0.02 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.11 1nwd h LEU 105 Cb 1.23 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 1nwd h LEU 105 CO 0.11 -0.66 0.23 0.08 0.09 0.00 0.00 178.44 178.30 1nwd h ARG 106 N -1.03 0.09 0.83 1.13 0.11 -1.59 -2.93 114.38 110.99 1nwd h ARG 106 Ca -0.08 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 59.95 1nwd h ARG 106 Cb 0.85 -0.02 0.01 0.00 1.11 0.00 0.00 29.97 31.92 1nwd h ARG 106 CO 0.04 0.06 -0.40 1.25 0.10 0.00 0.00 179.97 181.02 1nwd h HIS 107 N 0.09 -1.04 0.00 4.08 2.76 -1.46 -1.24 115.15 118.34 1nwd h HIS 107 Ca 0.15 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.25 1nwd h HIS 107 Cb 0.50 0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.80 1nwd h HIS 107 CO -0.00 -0.64 -0.25 -0.24 -1.30 0.00 0.00 177.93 175.51 1nwd h VAL 108 N -1.17 0.88 -0.17 5.26 3.04 -1.52 -0.61 116.25 121.94 1nwd h VAL 108 Ca -0.11 -0.96 -0.02 0.00 -1.01 0.00 0.00 66.70 64.60 1nwd h VAL 108 Cb 0.86 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.70 1nwd h VAL 108 CO 0.19 0.24 0.03 0.24 -1.01 0.00 0.00 177.57 177.26 1nwd h MET 109 N 0.00 0.29 -0.39 4.17 2.07 -1.43 -3.14 114.93 116.49 1nwd h MET 109 Ca -0.00 -0.08 -0.06 0.00 -2.07 0.00 0.00 59.70 57.50 1nwd h MET 109 Cb 0.55 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.22 1nwd h MET 109 CO 0.03 0.45 0.01 1.15 1.07 0.00 0.00 176.91 179.62 1nwd h THR 110 N 0.08 1.21 -1.01 2.22 2.02 -0.87 -3.23 112.91 113.33 1nwd h THR 110 Ca 0.05 -0.85 0.24 0.00 0.77 0.00 0.00 66.41 66.63 1nwd h THR 110 Cb 0.30 0.91 -0.10 0.00 -1.74 0.00 0.00 68.15 67.53 1nwd h THR 110 CO 0.00 0.29 0.64 -1.13 0.37 0.00 0.00 175.52 175.70 1nwd h ASN 111 N 0.59 0.53 0.25 4.18 -0.73 -1.06 -1.43 115.58 117.90 1nwd h ASN 111 Ca 0.12 0.09 0.01 0.00 1.87 0.00 0.00 56.30 58.39 1nwd h ASN 111 Cb 0.36 -0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.91 1nwd h ASN 111 CO 0.01 0.14 -0.38 -0.07 -0.37 0.00 0.00 177.43 176.76 1nwd h LEU 112 N 0.49 -1.08 0.00 0.34 3.38 -1.65 -3.47 115.31 113.31 1nwd h LEU 112 Ca 0.58 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.66 1nwd h LEU 112 Cb 1.31 0.38 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1nwd h LEU 112 CO -0.31 -0.49 0.00 0.61 0.09 0.00 0.00 178.44 178.33 1nwd n GLY 113 N -1.47 -0.13 3.54 0.83 0.00 -0.54 -5.19 105.19 102.24 1nwd n GLY 113 Ca -0.09 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 1nwd n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nwd s GLU 114 N 0.00 1.32 -0.30 1.61 -1.05 -1.22 -5.09 118.70 113.97 1nwd s GLU 114 Ca 0.00 -0.57 -0.01 0.00 -0.15 0.00 0.00 54.97 54.24 1nwd s GLU 114 Cb 0.00 0.56 0.13 0.00 -0.44 0.00 0.00 34.13 34.37 1nwd s GLU 114 CO 0.00 -0.59 0.25 0.15 0.95 0.00 0.00 175.26 176.02 1nwd s LYS 115 N -3.68 0.32 0.16 -4.83 1.02 -1.26 -4.40 119.74 107.06 1nwd s LYS 115 Ca 0.04 -0.35 0.11 0.00 0.02 0.00 0.00 55.97 55.79 1nwd s LYS 115 Cb -0.02 -0.83 -0.04 0.00 -0.52 0.00 0.00 37.83 36.42 1nwd s LYS 115 CO -0.07 -1.05 -0.23 -0.51 -0.92 0.00 0.00 175.35 172.56 1nwd s LEU 116 N 2.17 2.46 0.11 3.17 1.43 -1.26 -5.11 118.68 121.65 1nwd s LEU 116 Ca 0.10 -0.75 -0.31 0.00 -1.03 0.00 0.00 54.13 52.14 1nwd s LEU 116 Cb -0.15 -1.28 -0.07 0.00 0.03 0.00 0.00 46.19 44.72 1nwd s LEU 116 CO -0.31 0.15 1.24 0.42 0.23 0.00 0.00 176.35 178.08 1nwd s THR 117 N -1.34 3.75 0.51 5.49 -4.23 -1.26 -4.93 115.64 113.62 1nwd s THR 117 Ca 0.18 1.31 0.37 0.00 -1.18 0.00 0.00 61.69 62.37 1nwd s THR 117 Cb -0.09 -3.84 0.39 0.00 1.34 0.00 0.00 72.50 70.30 1nwd s THR 117 CO 0.09 0.13 2.23 -0.78 -0.54 0.00 0.00 174.62 175.75 1nwd h ASP 118 N 6.36 0.00 -0.28 3.99 3.58 -2.00 -2.61 116.42 125.46 1nwd h ASP 118 Ca -0.43 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.11 1nwd h ASP 118 Cb 1.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 1nwd h ASP 118 CO 0.80 0.03 0.20 1.05 -2.88 0.00 0.00 179.24 178.44 1nwd h GLU 119 N 0.00 0.00 -0.65 0.28 -0.00 -1.99 -0.83 114.58 111.40 1nwd h GLU 119 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1nwd h GLU 119 Cb 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.88 1nwd h GLU 119 CO 0.00 0.00 0.37 0.93 -0.00 0.00 0.00 179.01 180.31 1nwd h GLU 120 N 0.00 0.89 0.19 1.06 4.39 -1.86 -2.04 114.58 117.20 1nwd h GLU 120 Ca 0.13 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1nwd h GLU 120 Cb 0.54 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1nwd h GLU 120 CO -0.00 0.66 -0.09 0.28 -1.16 0.00 0.00 179.01 178.70 1nwd h VAL 121 N 0.88 0.92 -0.92 3.13 2.07 -1.38 -3.04 116.25 117.91 1nwd h VAL 121 Ca 0.23 -0.65 0.19 0.00 0.82 0.00 0.00 66.70 67.29 1nwd h VAL 121 Cb 0.02 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 1nwd h VAL 121 CO -0.04 0.15 0.60 -0.78 0.02 0.00 0.00 177.57 177.51 1nwd h ASP 122 N -0.58 0.53 0.64 0.57 1.82 -1.20 -0.45 116.42 117.76 1nwd h ASP 122 Ca -0.03 0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.64 1nwd h ASP 122 Cb 0.43 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 40.40 1nwd h ASP 122 CO 0.04 0.22 -0.31 -0.08 -1.61 0.00 0.00 179.24 177.50 1nwd h GLU 123 N 0.53 -0.83 0.00 0.28 4.57 -1.38 -2.06 114.58 115.69 1nwd h GLU 123 Ca 0.49 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.72 1nwd h GLU 123 Cb 1.03 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1nwd h GLU 123 CO -0.22 -0.52 0.00 0.00 -1.18 0.00 0.00 179.01 177.09 1nwd n MET 124 N -5.42 0.19 0.33 1.92 0.00 -0.63 -0.66 117.12 112.85 1nwd n MET 124 Ca -0.13 0.46 -0.13 0.00 0.00 0.00 0.00 57.70 57.90 1nwd n MET 124 Cb 0.36 -1.89 -0.06 0.00 0.00 0.00 0.00 33.22 31.63 1nwd n MET 124 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1nwd h ILE 125 N 0.00 0.00 -0.83 3.17 2.04 -1.11 -3.34 117.51 117.44 1nwd h ILE 125 Ca 0.00 -0.36 0.19 0.00 1.00 0.00 0.00 64.86 65.69 1nwd h ILE 125 Cb 0.31 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.34 1nwd h ILE 125 CO 0.00 0.00 0.56 0.03 0.00 0.00 0.00 178.15 178.74 1nwd h ARG 126 N -1.24 0.34 -0.74 2.37 2.47 -0.46 -1.80 114.38 115.32 1nwd h ARG 126 Ca -0.09 -0.02 0.15 0.00 -1.26 0.00 0.00 59.98 58.76 1nwd h ARG 126 Cb 0.67 -0.08 -0.14 0.00 -1.65 0.00 0.00 29.97 28.78 1nwd h ARG 126 CO 0.15 0.22 -0.19 0.93 0.56 0.00 0.00 179.97 181.64 1nwd h GLU 127 N 0.35 -0.00 -0.88 0.04 4.39 -1.01 -2.99 114.58 114.48 1nwd h GLU 127 Ca 0.42 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.70 1nwd h GLU 127 Cb 1.10 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.34 1nwd h GLU 127 CO -0.13 -0.00 -0.99 0.00 -1.16 0.00 0.00 179.01 176.73 1nwd n ALA 128 N -3.23 3.88 -2.66 3.43 0.00 -1.10 -5.07 120.51 115.76 1nwd n ALA 128 Ca 0.10 -3.42 -0.43 0.00 0.00 0.00 0.00 53.44 49.70 1nwd n ALA 128 Cb 0.38 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 1nwd n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nwd s ASP 129 N -3.53 7.06 -0.16 0.00 2.15 -0.70 -4.66 116.67 116.83 1nwd s ASP 129 Ca 0.37 1.32 -0.12 0.00 0.43 0.00 0.00 52.55 54.54 1nwd s ASP 129 Cb 0.39 -2.52 -0.08 0.00 -0.30 0.00 0.00 42.92 40.42 1nwd s ASP 129 CO -0.03 -0.60 -0.05 0.40 -0.17 0.00 0.00 175.17 174.72 1nwd h ILE 130 N 5.39 0.27 0.00 4.11 2.04 -1.92 -3.45 117.51 123.95 1nwd h ILE 130 Ca -0.22 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.30 1nwd h ILE 130 Cb 1.08 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1nwd h ILE 130 CO 0.94 0.09 0.00 -0.90 0.00 0.00 0.00 178.15 178.28 1nwd n ASP 131 N -4.57 0.00 0.00 1.72 5.75 -1.26 -4.97 116.55 113.22 1nwd n ASP 131 Ca -0.14 0.44 0.00 0.00 -0.01 0.00 0.00 54.79 55.08 1nwd n ASP 131 Cb 0.37 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1nwd n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nwd n GLY 132 N -0.43 0.00 3.82 6.12 0.00 -1.26 -5.01 105.19 108.42 1nwd n GLY 132 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1nwd n GLY 132 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nwd n ASP 133 N 0.00 -1.60 0.00 1.61 2.03 -1.26 -4.95 116.55 112.38 1nwd n ASP 133 Ca 0.00 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.36 1nwd n ASP 133 Cb 0.00 -3.44 0.00 0.00 -0.72 0.00 0.00 41.12 36.96 1nwd n ASP 133 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nwd n GLY 134 N -1.80 0.07 3.07 0.27 0.00 -1.26 -5.05 105.19 100.49 1nwd n GLY 134 Ca -0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 1nwd n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nwd s GLN 135 N 0.00 1.21 -0.92 1.61 -0.21 -1.26 -4.36 119.66 115.72 1nwd s GLN 135 Ca 0.00 -0.45 -0.24 0.00 0.02 0.00 0.00 55.36 54.69 1nwd s GLN 135 Cb 0.00 -1.12 0.02 0.00 1.00 0.00 0.00 33.01 32.91 1nwd s GLN 135 CO 0.00 0.22 1.59 0.08 -2.12 0.00 0.00 175.29 175.06 1nwd s VAL 136 N -0.05 3.73 1.04 1.09 1.01 -0.33 -4.61 120.40 122.27 1nwd s VAL 136 Ca 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1nwd s VAL 136 Cb -0.08 -4.67 0.21 0.00 0.00 0.00 0.00 36.38 31.84 1nwd s VAL 136 CO 0.00 -1.58 1.09 0.54 0.00 0.00 0.00 175.10 175.16 1nwd s ASN 137 N 5.89 2.23 0.20 3.32 2.20 -1.26 -2.25 114.94 125.27 1nwd s ASN 137 Ca 0.53 1.08 -0.11 0.00 -0.94 0.00 0.00 52.86 53.42 1nwd s ASN 137 Cb -0.04 -1.68 0.23 0.00 -2.00 0.00 0.00 41.25 37.77 1nwd s ASN 137 CO -0.02 -3.36 1.76 1.88 -2.94 0.00 0.00 177.10 174.41 1nwd h TYR 138 N -2.05 0.43 -0.30 1.54 0.05 -1.95 0.74 116.97 115.43 1nwd h TYR 138 Ca -0.54 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.29 1nwd h TYR 138 Cb 1.33 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.94 1nwd h TYR 138 CO -0.09 0.15 0.14 0.93 -1.05 0.00 0.00 178.16 178.23 1nwd h GLU 139 N 0.45 0.28 -0.31 4.88 5.08 -1.94 -0.58 114.58 122.43 1nwd h GLU 139 Ca 0.28 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1nwd h GLU 139 Cb 0.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1nwd h GLU 139 CO -0.26 0.19 0.08 1.49 -1.00 0.00 0.00 179.01 179.50 1nwd h GLU 140 N 0.29 0.50 -0.63 2.33 4.81 -1.84 -2.70 114.58 117.34 1nwd h GLU 140 Ca 0.13 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1nwd h GLU 140 Cb 0.06 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 1nwd h GLU 140 CO -0.10 0.57 0.36 0.35 -0.73 0.00 0.00 179.01 179.46 1nwd h PHE 141 N 0.34 0.67 0.87 0.92 3.04 -0.41 0.31 116.94 122.68 1nwd h PHE 141 Ca 0.10 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.03 1nwd h PHE 141 Cb 0.29 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 38.60 1nwd h PHE 141 CO 0.01 0.35 -0.42 0.28 -2.02 0.00 0.00 178.31 176.52 1nwd h VAL 142 N 0.69 0.09 0.00 1.41 2.07 -1.18 -3.26 116.25 116.07 1nwd h VAL 142 Ca 0.27 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.64 1nwd h VAL 142 Cb 0.10 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1nwd h VAL 142 CO -0.14 0.00 -0.32 1.56 0.02 0.00 0.00 177.57 178.69 1nwd h GLN 143 N -1.23 0.00 -0.03 1.57 1.08 -1.11 0.23 115.11 115.61 1nwd h GLN 143 Ca -0.12 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.97 1nwd h GLN 143 Cb 0.90 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.31 1nwd h GLN 143 CO 0.20 0.32 -0.49 0.00 -0.95 0.00 0.00 178.83 177.90 1nwd h MET 144 N 0.00 0.08 0.00 1.46 -0.00 -1.07 -0.03 114.93 115.37 1nwd h MET 144 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 1nwd h MET 144 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.18 1nwd h MET 144 CO 0.04 0.55 -0.57 0.52 -0.00 0.00 0.00 176.91 177.46 1nwd h MET 145 N 0.06 0.00 -1.92 -0.10 2.86 -1.46 -3.40 114.93 110.97 1nwd h MET 145 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 1nwd h MET 145 Cb 0.89 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 32.15 1nwd h MET 145 CO 0.07 0.00 -1.04 2.41 1.06 0.00 0.00 176.91 179.41 1nwd n THR 146 N -2.74 0.92 -2.86 2.22 -1.04 0.77 -5.06 114.28 106.50 1nwd n THR 146 Ca 0.02 -4.66 -0.43 0.00 -2.04 0.00 0.00 64.05 56.94 1nwd n THR 146 Cb 0.52 -0.48 -0.04 0.00 -1.82 0.00 0.00 70.33 68.51 1nwd n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nwd s ALA 147 N -2.84 3.19 0.00 2.41 0.00 -0.05 -4.50 121.76 119.97 1nwd s ALA 147 Ca 0.41 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1nwd s ALA 147 Cb 0.35 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1nwd s ALA 147 CO -0.09 -2.27 0.00 1.17 0.00 0.00 0.00 175.76 174.57