#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwd s ASP 2 N 0.00 5.63 0.09 0.00 -4.77 -1.26 -4.87 116.67 111.49 1nwd s ASP 2 Ca 0.00 -1.36 -0.24 0.00 -3.30 0.00 0.00 52.55 47.65 1nwd s ASP 2 Cb 0.00 -2.57 0.06 0.00 -1.09 0.00 0.00 42.92 39.32 1nwd s ASP 2 CO 0.00 -2.36 0.58 0.00 0.70 0.00 0.00 175.17 174.09 1nwd s GLN 3 N 6.05 1.17 -0.16 2.11 -2.07 -1.26 -5.19 119.66 120.31 1nwd s GLN 3 Ca 0.62 -0.30 -0.29 0.00 -1.82 0.00 0.00 55.36 53.57 1nwd s GLN 3 Cb -0.02 0.54 0.10 0.00 -1.09 0.00 0.00 33.01 32.54 1nwd s GLN 3 CO 0.02 -0.46 0.88 -0.48 -1.32 0.00 0.00 175.29 173.93 1nwd s LEU 4 N -2.29 -0.51 0.31 2.60 0.05 -1.26 -5.20 118.68 112.38 1nwd s LEU 4 Ca -0.02 0.69 0.06 0.00 0.05 0.00 0.00 54.13 54.91 1nwd s LEU 4 Cb -0.00 2.14 -0.06 0.00 -2.05 0.00 0.00 46.19 46.21 1nwd s LEU 4 CO -0.06 -0.38 -0.02 0.28 -0.55 0.00 0.00 176.35 175.62 1nwd s THR 5 N -0.74 1.58 -1.65 5.48 -1.32 -1.26 -5.06 115.64 112.67 1nwd s THR 5 Ca -0.04 -2.07 0.27 0.00 -1.21 0.00 0.00 61.69 58.64 1nwd s THR 5 Cb -0.02 -2.63 0.60 0.00 -1.51 0.00 0.00 72.50 68.94 1nwd s THR 5 CO 0.03 -0.17 1.95 -0.62 -2.21 0.00 0.00 174.62 173.60 1nwd n GLU 6 N -0.67 0.57 -0.24 7.08 4.71 -1.26 -3.50 120.64 127.33 1nwd n GLU 6 Ca -0.04 0.02 -0.02 0.00 -0.01 0.00 0.00 57.16 57.11 1nwd n GLU 6 Cb 0.65 -1.50 0.10 0.00 -1.01 0.00 0.00 31.44 29.67 1nwd n GLU 6 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1nwd h GLU 7 N 0.00 0.72 -0.12 3.49 4.22 -1.99 -2.19 114.58 118.71 1nwd h GLU 7 Ca 0.00 -0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.43 1nwd h GLU 7 Cb 0.15 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1nwd h GLU 7 CO 0.00 0.48 -0.13 1.96 -2.18 0.00 0.00 179.01 179.13 1nwd h GLN 8 N 0.74 -0.16 -0.12 1.92 1.08 -1.99 -0.16 115.11 116.42 1nwd h GLN 8 Ca 0.30 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.55 1nwd h GLN 8 Cb 0.15 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.57 1nwd h GLN 8 CO -0.16 -0.11 -0.17 0.82 -0.95 0.00 0.00 178.83 178.26 1nwd h ILE 9 N -0.17 0.56 -0.93 2.54 2.04 -1.71 -2.02 117.51 117.82 1nwd h ILE 9 Ca 0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 1nwd h ILE 9 Cb 0.29 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 1nwd h ILE 9 CO -0.22 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.54 1nwd h ALA 10 N 0.81 1.43 -0.06 1.87 0.00 -1.25 -1.68 119.26 120.38 1nwd h ALA 10 Ca 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nwd h ALA 10 Cb 0.35 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1nwd h ALA 10 CO -0.25 0.46 0.03 1.49 0.00 0.00 0.00 179.25 180.98 1nwd h GLU 11 N 1.13 0.08 -0.49 0.00 4.57 -0.34 -1.46 114.58 118.08 1nwd h GLU 11 Ca 0.38 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.45 1nwd h GLU 11 Cb 0.07 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1nwd h GLU 11 CO -0.13 0.15 -0.07 0.74 -1.18 0.00 0.00 179.01 178.53 1nwd h PHE 12 N -0.01 0.95 -0.03 0.92 0.04 -1.30 -1.83 116.94 115.68 1nwd h PHE 12 Ca 0.02 -0.17 0.03 0.00 2.80 0.00 0.00 57.97 60.65 1nwd h PHE 12 Cb 0.10 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 37.96 1nwd h PHE 12 CO -0.04 0.90 -0.16 -0.22 -0.60 0.00 0.00 178.31 178.19 1nwd h LYS 13 N 0.79 -0.24 -0.21 1.51 3.64 -1.17 -1.55 116.57 119.35 1nwd h LYS 13 Ca 0.14 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1nwd h LYS 13 Cb 0.58 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1nwd h LYS 13 CO 0.04 -0.16 0.12 0.93 -2.27 0.00 0.00 179.45 178.11 1nwd h GLU 14 N -0.25 0.24 -0.21 1.90 5.08 -1.20 -1.51 114.58 118.63 1nwd h GLU 14 Ca 0.06 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1nwd h GLU 14 Cb 0.33 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1nwd h GLU 14 CO -0.18 0.16 0.00 0.00 -1.00 0.00 0.00 179.01 178.00 1nwd h ALA 15 N 1.10 0.19 -0.33 3.43 0.00 -1.17 -1.15 119.26 121.33 1nwd h ALA 15 Ca 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1nwd h ALA 15 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1nwd h ALA 15 CO -0.05 -0.43 0.19 0.35 0.00 0.00 0.00 179.25 179.32 1nwd h PHE 16 N 0.07 0.45 -1.00 0.00 3.57 -1.26 -3.12 116.94 115.66 1nwd h PHE 16 Ca 0.10 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.62 1nwd h PHE 16 Cb 0.12 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.66 1nwd h PHE 16 CO -0.18 0.35 0.66 1.03 -2.23 0.00 0.00 178.31 177.94 1nwd h SER 17 N 0.42 1.10 -0.21 0.41 0.87 -1.01 -1.76 113.55 113.37 1nwd h SER 17 Ca 0.12 -0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.71 1nwd h SER 17 Cb 0.05 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 61.70 1nwd h SER 17 CO -0.02 0.77 -0.08 0.25 -0.53 0.00 0.00 176.83 177.22 1nwd h LEU 18 N 1.29 -0.28 -0.32 2.23 5.85 -1.16 -2.82 115.31 120.10 1nwd h LEU 18 Ca 0.39 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.18 1nwd h LEU 18 Cb -0.04 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1nwd h LEU 18 CO -0.11 -0.11 0.20 -0.26 -0.34 0.00 0.00 178.44 177.82 1nwd h PHE 19 N -0.05 0.41 -1.81 1.25 -1.00 -1.45 -3.32 116.94 110.98 1nwd h PHE 19 Ca 0.11 0.00 -0.75 0.00 2.81 0.00 0.00 57.97 60.15 1nwd h PHE 19 Cb 0.21 -0.14 -0.17 0.00 3.61 0.00 0.00 35.95 39.47 1nwd h PHE 19 CO -0.25 0.28 1.67 -0.25 -1.61 0.00 0.00 178.31 178.14 1nwd n ASP 20 N -4.85 5.17 -0.22 2.17 8.00 -0.69 -4.75 116.55 121.37 1nwd n ASP 20 Ca -0.01 -3.04 0.10 0.00 0.71 0.00 0.00 54.79 52.54 1nwd n ASP 20 Cb 0.04 -1.53 0.38 0.00 -0.02 0.00 0.00 41.12 39.99 1nwd n ASP 20 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1nwd h LYS 21 N 6.47 0.67 -0.66 -1.24 6.56 -1.67 -2.48 116.57 124.23 1nwd h LYS 21 Ca 0.35 -0.04 0.07 0.00 -1.06 0.00 0.00 60.65 59.98 1nwd h LYS 21 Cb 0.76 -0.15 -0.06 0.00 -0.57 0.00 0.00 32.23 32.20 1nwd h LYS 21 CO 1.42 0.45 0.34 -0.44 -2.06 0.00 0.00 179.45 179.16 1nwd h ASP 22 N 0.69 0.47 0.00 0.86 3.32 -1.91 -3.47 116.42 116.38 1nwd h ASP 22 Ca 0.38 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1nwd h ASP 22 Cb 0.53 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1nwd h ASP 22 CO -0.15 0.29 0.00 0.61 -1.72 0.00 0.00 179.24 178.27 1nwd n GLY 23 N -1.29 3.36 0.33 2.75 0.00 -0.94 -4.94 105.19 104.47 1nwd n GLY 23 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1nwd n GLY 23 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nwd h ASP 24 N 0.00 0.93 -1.71 1.61 3.32 -1.92 -3.48 116.42 115.18 1nwd h ASP 24 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nwd h ASP 24 Cb 0.00 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1nwd h ASP 24 CO 0.00 0.64 0.00 0.61 -1.72 0.00 0.00 179.24 178.77 1nwd n GLY 25 N -1.34 0.78 2.76 2.75 0.00 -1.26 -5.04 105.19 103.85 1nwd n GLY 25 Ca 0.11 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.57 -0.59 -1.11 2.61 -4.23 -1.26 -4.22 115.64 104.28 1nwd s THR 26 Ca 0.00 -1.16 -0.21 0.00 -1.18 0.00 0.00 61.69 59.13 1nwd s THR 26 Cb 0.00 -0.39 0.04 0.00 1.34 0.00 0.00 72.50 73.49 1nwd s THR 26 CO 0.00 -0.37 1.60 -0.63 -0.54 0.00 0.00 174.62 174.67 1nwd s ILE 27 N 0.99 3.94 0.65 2.99 1.01 -0.84 -4.68 121.20 125.26 1nwd s ILE 27 Ca 0.25 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1nwd s ILE 27 Cb -0.03 -5.01 0.10 0.00 0.01 0.00 0.00 42.46 37.52 1nwd s ILE 27 CO -0.08 -1.86 0.90 0.28 0.00 0.00 0.00 174.94 174.18 1nwd s THR 28 N 5.33 2.26 0.10 2.92 -1.32 -1.26 -3.08 115.64 120.59 1nwd s THR 28 Ca 0.51 -0.70 -0.27 0.00 -1.21 0.00 0.00 61.69 60.01 1nwd s THR 28 Cb 0.01 -2.56 -0.11 0.00 -1.51 0.00 0.00 72.50 68.33 1nwd s THR 28 CO -0.03 0.00 1.65 0.71 -2.21 0.00 0.00 174.62 174.75 1nwd h THR 29 N -0.24 0.50 -0.61 5.08 1.35 -1.89 -2.67 112.91 114.42 1nwd h THR 29 Ca -0.36 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1nwd h THR 29 Cb 1.28 0.50 -0.03 0.00 -1.73 0.00 0.00 68.15 68.16 1nwd h THR 29 CO 0.43 0.00 0.37 0.50 -0.25 0.00 0.00 175.52 176.57 1nwd h LYS 30 N -0.47 0.83 -0.09 4.72 3.64 -1.98 -0.76 116.57 122.47 1nwd h LYS 30 Ca 0.01 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1nwd h LYS 30 Cb 0.45 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 1nwd h LYS 30 CO -0.08 0.59 -0.14 1.49 -2.27 0.00 0.00 179.45 179.03 1nwd h GLU 31 N 0.83 -0.19 -0.74 1.90 4.81 -1.92 -2.06 114.58 117.21 1nwd h GLU 31 Ca 0.22 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.51 1nwd h GLU 31 Cb -0.03 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 1nwd h GLU 31 CO -0.04 -0.12 0.46 1.25 -0.73 0.00 0.00 179.01 179.82 1nwd h LEU 32 N -0.19 0.73 -0.65 1.64 7.12 -1.08 -1.96 115.31 120.92 1nwd h LEU 32 Ca 0.08 0.01 0.11 0.00 0.13 0.00 0.00 57.88 58.21 1nwd h LEU 32 Cb 0.31 -0.15 -0.08 0.00 -0.53 0.00 0.00 40.66 40.21 1nwd h LEU 32 CO -0.21 0.49 0.23 1.23 -0.13 0.00 0.00 178.44 180.06 1nwd h GLY 33 N 0.87 0.91 0.92 3.75 0.00 -0.86 -1.69 103.07 106.97 1nwd h GLY 33 Ca 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 1nwd h GLY 33 CO -0.14 -0.05 0.12 -0.84 0.00 0.00 0.00 176.54 175.63 1nwd h THR 34 N 0.40 1.19 0.01 4.70 2.02 -0.66 -1.15 112.91 119.41 1nwd h THR 34 Ca 0.34 -0.60 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1nwd h THR 34 Cb 0.45 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1nwd h THR 34 CO -0.35 0.21 -0.12 0.58 0.37 0.00 0.00 175.52 176.21 1nwd h VAL 35 N 0.38 0.69 -0.39 3.16 2.07 -0.99 -0.32 116.25 120.85 1nwd h VAL 35 Ca 0.11 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.68 1nwd h VAL 35 Cb 0.21 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1nwd h VAL 35 CO -0.01 0.00 0.09 0.24 0.02 0.00 0.00 177.57 177.92 1nwd h MET 36 N -0.22 0.22 -0.42 1.57 2.86 -1.29 -2.84 114.93 114.82 1nwd h MET 36 Ca 0.04 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1nwd h MET 36 Cb 0.27 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1nwd h MET 36 CO -0.12 0.15 0.25 -0.09 1.06 0.00 0.00 176.91 178.16 1nwd h ARG 37 N 0.23 0.56 0.00 1.72 9.65 -0.74 0.03 114.38 125.83 1nwd h ARG 37 Ca 0.18 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.00 1nwd h ARG 37 Cb 0.21 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.66 1nwd h ARG 37 CO -0.23 0.42 -0.07 0.77 2.80 0.00 0.00 179.97 183.66 1nwd h SER 38 N 0.55 0.00 0.00 -3.80 0.02 -0.97 -3.33 113.55 106.02 1nwd h SER 38 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1nwd h SER 38 Cb -0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1nwd h SER 38 CO -0.03 0.07 0.00 0.18 -1.14 0.00 0.00 176.83 175.91 1nwd n LEU 39 N -3.62 0.38 0.00 5.07 4.77 -0.96 -5.05 117.00 117.58 1nwd n LEU 39 Ca -0.02 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1nwd n LEU 39 Cb 0.18 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1nwd n LEU 39 CO 0.28 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1nwd n GLY 40 N 1.94 -0.12 3.11 -0.72 0.00 -0.10 -5.11 105.19 104.19 1nwd n GLY 40 Ca 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1nwd n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nwd s GLN 41 N 0.00 0.39 -0.54 1.61 -0.21 -0.64 -5.01 119.66 115.26 1nwd s GLN 41 Ca 0.00 -0.07 0.06 0.00 0.02 0.00 0.00 55.36 55.37 1nwd s GLN 41 Cb 0.00 0.17 0.20 0.00 1.00 0.00 0.00 33.01 34.39 1nwd s GLN 41 CO 0.00 -0.08 0.51 -1.71 -2.12 0.00 0.00 175.29 171.89 1nwd n ASN 42 N 2.12 1.59 -4.83 5.90 4.05 -1.26 -2.24 115.26 120.59 1nwd n ASN 42 Ca -0.18 -2.92 -0.32 0.00 0.45 0.00 0.00 54.58 51.62 1nwd n ASN 42 Cb 0.57 -0.66 0.02 0.00 1.23 0.00 0.00 39.78 40.94 1nwd n ASN 42 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1nwd s PRO 43 N -1.20 3.37 0.80 1.20 0.04 -1.26 -5.09 135.00 132.86 1nwd s PRO 43 Ca 0.33 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.20 1nwd s PRO 43 Cb 0.07 -2.05 0.07 0.00 0.04 0.00 0.00 34.50 32.63 1nwd s PRO 43 CO -0.13 -0.75 1.14 -0.08 0.04 0.00 0.00 177.00 177.21 1nwd s THR 44 N -2.88 2.59 0.18 1.26 -1.32 -1.26 -5.01 115.64 109.21 1nwd s THR 44 Ca 0.59 0.19 -0.08 0.00 -1.21 0.00 0.00 61.69 61.17 1nwd s THR 44 Cb -0.13 -3.10 0.05 0.00 -1.51 0.00 0.00 72.50 67.81 1nwd s THR 44 CO 0.47 -0.25 1.62 -0.08 -2.21 0.00 0.00 174.62 174.17 1nwd h GLU 45 N -1.03 1.02 0.17 7.08 4.81 -1.99 -3.20 114.58 121.44 1nwd h GLU 45 Ca -0.47 -0.36 0.01 0.00 -0.13 0.00 0.00 59.36 58.41 1nwd h GLU 45 Cb 1.30 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.57 1nwd h GLU 45 CO 0.64 1.04 -0.46 0.00 -0.73 0.00 0.00 179.01 179.50 1nwd h ALA 46 N 0.98 -0.97 -0.47 2.92 0.00 -1.99 0.91 119.26 120.65 1nwd h ALA 46 Ca 0.15 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1nwd h ALA 46 Cb 0.64 0.81 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 1nwd h ALA 46 CO 0.04 -1.07 0.31 1.05 0.00 0.00 0.00 179.25 179.58 1nwd h GLU 47 N -0.70 0.47 -0.40 0.00 4.11 -1.98 -1.64 114.58 114.43 1nwd h GLU 47 Ca -0.02 -0.03 -0.11 0.00 0.07 0.00 0.00 59.36 59.28 1nwd h GLU 47 Cb 0.68 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1nwd h GLU 47 CO -0.21 0.31 -0.17 -0.07 0.07 0.00 0.00 179.01 178.94 1nwd h LEU 48 N 0.49 0.84 0.21 3.06 3.38 -1.46 -3.32 115.31 118.51 1nwd h LEU 48 Ca 0.19 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1nwd h LEU 48 Cb 0.16 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1nwd h LEU 48 CO -0.05 1.05 -0.10 -0.61 0.09 0.00 0.00 178.44 178.82 1nwd h GLN 49 N 0.63 -0.27 -0.24 1.13 4.15 -0.17 -3.34 115.11 117.00 1nwd h GLN 49 Ca 0.09 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.59 1nwd h GLN 49 Cb 0.72 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.40 1nwd h GLN 49 CO 0.05 -0.08 -0.27 -0.44 -1.93 0.00 0.00 178.83 176.17 1nwd h ASP 50 N -1.04 -0.85 -1.00 -0.69 3.32 -1.51 -2.29 116.42 112.35 1nwd h ASP 50 Ca -0.03 0.15 0.17 0.00 0.02 0.00 0.00 57.03 57.34 1nwd h ASP 50 Cb 0.32 0.39 -0.10 0.00 0.22 0.00 0.00 39.33 40.16 1nwd h ASP 50 CO 0.05 -0.30 0.62 0.00 -1.72 0.00 0.00 179.24 177.89 1nwd h MET 51 N -0.28 0.80 0.08 3.56 -0.00 -1.75 -1.08 114.93 116.27 1nwd h MET 51 Ca 0.13 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.70 59.78 1nwd h MET 51 Cb 0.49 -0.18 0.00 0.00 -0.00 0.00 0.00 31.60 31.91 1nwd h MET 51 CO -0.40 0.53 -0.04 0.82 -0.00 0.00 0.00 176.91 177.82 1nwd h ILE 52 N 0.82 1.18 -0.21 -0.10 2.04 -1.55 -3.29 117.51 116.40 1nwd h ILE 52 Ca 0.56 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 1nwd h ILE 52 Cb 0.80 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1nwd h ILE 52 CO -0.35 0.28 -0.08 0.78 0.00 0.00 0.00 178.15 178.78 1nwd h ASN 53 N -0.66 0.31 -0.82 1.72 2.35 -1.12 0.11 115.58 117.46 1nwd h ASN 53 Ca -0.01 -0.06 0.19 0.00 -0.55 0.00 0.00 56.30 55.87 1nwd h ASN 53 Cb 0.54 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.77 1nwd h ASN 53 CO 0.02 0.43 0.56 -0.33 -1.65 0.00 0.00 177.43 176.45 1nwd h GLU 54 N 0.31 0.30 0.01 0.81 3.07 -1.29 -3.16 114.58 114.64 1nwd h GLU 54 Ca 0.07 -0.02 -0.38 0.00 -0.50 0.00 0.00 59.36 58.53 1nwd h GLU 54 Cb 0.34 -0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.11 1nwd h GLU 54 CO 0.02 0.20 -2.43 0.28 -1.40 0.00 0.00 179.01 175.68 1nwd n VAL 55 N -4.45 1.48 -2.34 3.13 0.31 -0.61 -3.43 118.33 112.42 1nwd n VAL 55 Ca 0.17 -0.64 -0.42 0.00 -0.01 0.00 0.00 64.34 63.43 1nwd n VAL 55 Cb 0.68 -1.21 -0.03 0.00 -0.91 0.00 0.00 33.84 32.37 1nwd n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1nwd s ASP 56 N -6.30 6.97 0.01 4.52 -1.08 0.27 -2.25 116.67 118.80 1nwd s ASP 56 Ca -0.28 2.03 -0.04 0.00 -0.52 0.00 0.00 52.55 53.73 1nwd s ASP 56 Cb 0.08 -2.57 -0.02 0.00 -1.46 0.00 0.00 42.92 38.95 1nwd s ASP 56 CO 0.66 -0.60 1.06 0.00 0.52 0.00 0.00 175.17 176.81 1nwd h ALA 57 N 7.31 -0.93 -0.18 3.66 0.00 -1.82 -3.30 119.26 124.00 1nwd h ALA 57 Ca -0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1nwd h ALA 57 Cb 1.19 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1nwd h ALA 57 CO 0.87 -0.93 0.04 0.38 0.00 0.00 0.00 179.25 179.62 1nwd h ASP 58 N -0.13 0.27 -4.38 0.00 3.04 -1.94 -3.45 116.42 109.84 1nwd h ASP 58 Ca -0.01 -0.23 -0.14 0.00 -3.24 0.00 0.00 57.03 53.41 1nwd h ASP 58 Cb 0.10 -0.07 0.11 0.00 -1.04 0.00 0.00 39.33 38.43 1nwd h ASP 58 CO 0.01 0.43 -0.49 0.61 -2.04 0.00 0.00 179.24 177.76 1nwd n GLY 59 N -0.53 -0.26 0.06 7.15 0.00 -1.24 -5.01 105.19 105.36 1nwd n GLY 59 Ca -0.04 0.21 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.62 0.00 0.00 1.61 -0.26 -1.94 -3.50 115.58 110.87 1nwd h ASN 60 Ca -0.35 -0.51 0.00 0.00 -0.56 0.00 0.00 56.30 54.88 1nwd h ASN 60 Cb 1.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.44 1nwd h ASN 60 CO 0.25 0.77 0.00 0.61 -1.06 0.00 0.00 177.43 178.00 1nwd n GLY 61 N 1.69 0.71 3.54 2.83 0.00 -1.26 -5.14 105.19 107.55 1nwd n GLY 61 Ca -0.06 0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1nwd n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nwd n THR 62 N 0.00 0.00 -3.57 2.61 -2.24 -1.26 -4.47 114.28 105.36 1nwd n THR 62 Ca 0.00 -0.18 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 1nwd n THR 62 Cb 0.00 -0.89 -0.14 0.00 -2.10 0.00 0.00 70.33 67.19 1nwd n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1nwd s ILE 63 N -2.50 0.16 1.14 2.28 -1.09 -1.18 -4.89 121.20 115.13 1nwd s ILE 63 Ca 0.65 -1.07 -0.19 0.00 -2.23 0.00 0.00 60.65 57.81 1nwd s ILE 63 Cb -0.22 -1.15 0.27 0.00 -1.58 0.00 0.00 42.46 39.78 1nwd s ILE 63 CO 0.62 -0.77 1.18 -0.62 -1.23 0.00 0.00 174.94 174.13 1nwd s ASP 64 N 1.81 1.47 0.12 3.58 2.15 -1.26 -1.98 116.67 122.57 1nwd s ASP 64 Ca 0.11 0.47 -0.25 0.00 0.43 0.00 0.00 52.55 53.31 1nwd s ASP 64 Cb -0.18 -0.62 -0.05 0.00 -0.30 0.00 0.00 42.92 41.78 1nwd s ASP 64 CO -0.28 -3.77 1.64 0.15 -0.17 0.00 0.00 175.17 172.74 1nwd h PHE 65 N -2.34 -0.68 -0.78 -5.34 3.04 -1.97 -1.77 116.94 107.10 1nwd h PHE 65 Ca -0.44 0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.58 1nwd h PHE 65 Cb 1.27 0.31 -0.05 0.00 2.56 0.00 0.00 35.95 40.03 1nwd h PHE 65 CO -2.01 -0.34 0.48 -1.35 -2.02 0.00 0.00 178.31 173.07 1nwd h PRO 66 N -0.38 0.89 -0.20 6.41 0.11 -1.97 -2.75 132.00 134.10 1nwd h PRO 66 Ca 0.07 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 1nwd h PRO 66 Cb 0.48 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1nwd h PRO 66 CO -0.24 0.59 -0.01 0.93 -0.21 0.00 0.00 178.00 179.06 1nwd h GLU 67 N 0.91 0.29 -0.16 1.05 5.08 -1.80 -1.17 114.58 118.78 1nwd h GLU 67 Ca 0.33 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 1nwd h GLU 67 Cb 0.09 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1nwd h GLU 67 CO -0.14 0.33 -0.22 0.35 -1.00 0.00 0.00 179.01 178.33 1nwd h PHE 68 N 0.28 0.53 -0.63 4.33 3.57 -1.04 -0.75 116.94 123.24 1nwd h PHE 68 Ca 0.07 -0.17 0.06 0.00 3.53 0.00 0.00 57.97 61.45 1nwd h PHE 68 Cb 0.22 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1nwd h PHE 68 CO 0.00 0.85 0.42 -0.07 -2.23 0.00 0.00 178.31 177.28 1nwd h LEU 69 N 0.07 0.55 0.68 0.59 4.07 -1.33 -0.85 115.31 119.09 1nwd h LEU 69 Ca 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 1nwd h LEU 69 Cb 0.78 -0.12 0.01 0.00 1.08 0.00 0.00 40.66 42.41 1nwd h LEU 69 CO 0.05 0.36 -0.33 0.74 -1.08 0.00 0.00 178.44 178.18 1nwd h THR 70 N 0.63 0.00 -0.85 0.22 2.02 -1.10 -1.05 112.91 112.78 1nwd h THR 70 Ca 0.27 -0.19 0.21 0.00 0.77 0.00 0.00 66.41 67.47 1nwd h THR 70 Cb 0.27 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.53 1nwd h THR 70 CO -0.08 0.00 0.01 0.24 0.37 0.00 0.00 175.52 176.06 1nwd h MET 71 N -1.10 0.07 0.00 6.66 2.86 -0.85 0.20 114.93 122.77 1nwd h MET 71 Ca -0.09 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1nwd h MET 71 Cb 0.70 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1nwd h MET 71 CO 0.15 0.05 0.00 -1.33 1.06 0.00 0.00 176.91 176.84 1nwd n MET 72 N -5.40 0.00 -0.00 1.72 2.00 -0.35 -4.28 117.12 110.81 1nwd n MET 72 Ca 0.17 0.45 -0.01 0.00 0.00 0.00 0.00 57.70 58.31 1nwd n MET 72 Cb 0.57 -1.10 -0.01 0.00 0.00 0.00 0.00 33.22 32.68 1nwd n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1nwd h ALA 73 N -2.00 -0.10 0.36 3.04 0.00 -1.16 -3.41 119.26 115.99 1nwd h ALA 73 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1nwd h ALA 73 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1nwd h ALA 73 CO 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 179.25 178.98 1nwd h ARG 74 N -0.89 -0.47 -1.04 0.00 -0.00 -1.52 -3.47 114.38 107.00 1nwd h ARG 74 Ca -0.01 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 1nwd h ARG 74 Cb 0.07 0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.15 1nwd h ARG 74 CO 0.02 -0.31 -0.25 1.17 0.00 0.00 0.00 179.97 180.59 1nwd n LYS 75 N -4.54 -1.30 0.00 0.04 4.81 0.68 -3.35 118.16 114.51 1nwd n LYS 75 Ca -0.06 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1nwd n LYS 75 Cb 0.19 -1.06 0.00 0.00 0.02 0.00 0.00 35.03 34.18 1nwd n LYS 75 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1nwd n MET 76 N -0.64 0.00 -1.57 1.64 1.56 -1.26 -4.28 117.12 112.57 1nwd n MET 76 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.01 1nwd n MET 76 Cb 0.00 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.34 1nwd n MET 76 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1nwd n LYS 77 N 1.54 2.23 -3.54 2.12 2.85 -0.96 -4.61 118.16 117.80 1nwd n LYS 77 Ca 0.00 -2.32 -0.13 0.00 -1.05 0.00 0.00 58.31 54.80 1nwd n LYS 77 Cb 0.00 -3.18 -0.05 0.00 -0.65 0.00 0.00 35.03 31.16 1nwd n LYS 77 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1nwd n ASP 78 N 7.36 -0.61 0.00 -5.58 8.00 -1.26 -4.78 116.55 119.68 1nwd n ASP 78 Ca 0.50 -2.53 0.00 0.00 0.71 0.00 0.00 54.79 53.48 1nwd n ASP 78 Cb 0.41 1.34 0.00 0.00 -0.02 0.00 0.00 41.12 42.85 1nwd n ASP 78 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1nwd n THR 79 N -0.45 0.00 -1.78 -3.53 -2.24 -1.26 -4.43 114.28 100.60 1nwd n THR 79 Ca 0.04 0.35 -0.40 0.00 -2.27 0.00 0.00 64.05 61.78 1nwd n THR 79 Cb 0.43 -0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 67.69 1nwd n THR 79 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1nwd n ASP 80 N -1.38 7.83 0.24 3.42 8.00 -1.26 -4.80 116.55 128.60 1nwd n ASP 80 Ca 0.00 -2.93 0.07 0.00 0.71 0.00 0.00 54.79 52.65 1nwd n ASP 80 Cb 0.00 -1.45 0.57 0.00 -0.02 0.00 0.00 41.12 40.22 1nwd n ASP 80 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1nwd h SER 81 N 4.91 0.00 -0.99 -2.24 0.02 -1.84 -1.73 113.55 111.69 1nwd h SER 81 Ca 0.73 0.00 0.26 0.00 -0.84 0.00 0.00 61.79 61.94 1nwd h SER 81 Cb 0.34 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.75 1nwd h SER 81 CO 1.62 0.16 0.55 1.05 -1.14 0.00 0.00 176.83 179.07 1nwd h GLU 82 N 0.00 0.47 -0.14 3.45 4.11 -1.74 -2.41 114.58 118.33 1nwd h GLU 82 Ca -0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 1nwd h GLU 82 Cb 0.31 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1nwd h GLU 82 CO 0.02 0.31 0.03 0.93 0.07 0.00 0.00 179.01 180.38 1nwd h GLU 83 N 0.49 0.23 0.00 1.06 4.39 -1.64 0.19 114.58 119.29 1nwd h GLU 83 Ca 0.65 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 60.26 1nwd h GLU 83 Cb 1.30 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1nwd h GLU 83 CO -0.52 0.39 -0.15 0.93 -1.16 0.00 0.00 179.01 178.51 1nwd h GLU 84 N 0.03 0.00 0.16 2.33 3.07 -1.59 -0.53 114.58 118.05 1nwd h GLU 84 Ca 0.04 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.61 1nwd h GLU 84 Cb 0.27 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1nwd h GLU 84 CO 0.00 0.15 -1.31 0.82 -1.40 0.00 0.00 179.01 177.27 1nwd h ILE 85 N 0.00 1.44 -0.61 3.13 1.08 -1.32 -1.52 117.51 119.71 1nwd h ILE 85 Ca -0.00 -2.97 0.06 0.00 -0.39 0.00 0.00 64.86 61.56 1nwd h ILE 85 Cb 0.29 2.97 -0.05 0.00 -3.07 0.00 0.00 36.82 36.95 1nwd h ILE 85 CO 0.02 0.87 0.32 -0.09 -0.69 0.00 0.00 178.15 178.58 1nwd h ARG 86 N 0.09 0.57 0.27 2.37 1.12 -0.39 0.20 114.38 118.61 1nwd h ARG 86 Ca -0.17 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.66 1nwd h ARG 86 Cb 2.02 -0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 31.85 1nwd h ARG 86 CO 0.22 0.38 -0.16 1.49 -3.11 0.00 0.00 179.97 178.78 1nwd h GLU 87 N 0.59 -0.40 -0.93 0.20 4.22 -1.15 -2.20 114.58 114.90 1nwd h GLU 87 Ca 0.28 0.03 0.10 0.00 0.08 0.00 0.00 59.36 59.85 1nwd h GLU 87 Cb 0.21 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 1nwd h GLU 87 CO -0.20 -0.27 0.57 0.00 -2.18 0.00 0.00 179.01 176.94 1nwd h ALA 88 N 0.29 1.36 -0.44 2.92 0.00 -0.92 -1.54 119.26 120.93 1nwd h ALA 88 Ca -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nwd h ALA 88 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1nwd h ALA 88 CO 0.03 0.22 0.24 0.74 0.00 0.00 0.00 179.25 180.48 1nwd h PHE 89 N 0.95 0.60 0.00 0.00 0.04 -0.88 -0.97 116.94 116.69 1nwd h PHE 89 Ca 0.45 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.19 1nwd h PHE 89 Cb 0.38 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 1nwd h PHE 89 CO -0.02 0.45 -0.08 0.00 -0.60 0.00 0.00 178.31 178.06 1nwd h ARG 90 N 0.58 0.00 0.13 1.51 3.08 -0.67 0.83 114.38 119.84 1nwd h ARG 90 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1nwd h ARG 90 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1nwd h ARG 90 CO -0.03 0.08 -0.06 0.28 -1.07 0.00 0.00 179.97 179.17 1nwd h VAL 91 N 0.00 0.47 0.70 2.04 2.07 -0.93 -3.41 116.25 117.18 1nwd h VAL 91 Ca -0.00 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 1nwd h VAL 91 Cb 0.26 0.85 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1nwd h VAL 91 CO 0.01 0.14 -0.33 -0.26 0.02 0.00 0.00 177.57 177.15 1nwd h PHE 92 N -1.00 -0.87 -3.96 1.57 -1.00 -1.03 -3.45 116.94 107.21 1nwd h PHE 92 Ca -0.02 -0.02 -0.46 0.00 2.81 0.00 0.00 57.97 60.29 1nwd h PHE 92 Cb 0.36 0.29 -0.02 0.00 3.61 0.00 0.00 35.95 40.19 1nwd h PHE 92 CO 0.06 -0.53 0.29 -0.51 -1.61 0.00 0.00 178.31 176.02 1nwd s ASP 93 N -4.48 6.97 -0.66 2.17 1.01 0.27 -4.79 116.67 117.16 1nwd s ASP 93 Ca -0.14 1.63 -0.02 0.00 0.71 0.00 0.00 52.55 54.73 1nwd s ASP 93 Cb 0.02 -2.51 0.36 0.00 1.01 0.00 0.00 42.92 41.79 1nwd s ASP 93 CO 0.44 -0.28 2.10 0.29 0.21 0.00 0.00 175.17 177.94 1nwd n LYS 94 N -0.37 2.57 0.10 8.23 4.76 -1.26 -4.47 118.16 127.72 1nwd n LYS 94 Ca 0.05 -3.05 0.00 0.00 -2.87 0.00 0.00 58.31 52.44 1nwd n LYS 94 Cb 0.53 -2.18 0.00 0.00 -1.84 0.00 0.00 35.03 31.54 1nwd n LYS 94 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1nwd n ASP 95 N -0.49 -1.77 0.00 4.39 5.75 -1.26 -5.15 116.55 118.02 1nwd n ASP 95 Ca 0.55 0.62 0.00 0.00 -0.01 0.00 0.00 54.79 55.95 1nwd n ASP 95 Cb 0.52 1.90 0.00 0.00 -1.03 0.00 0.00 41.12 42.50 1nwd n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nwd n GLY 96 N -1.22 -0.42 2.51 6.12 0.00 -1.26 -4.96 105.19 105.95 1nwd n GLY 96 Ca 0.00 0.29 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 1nwd n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nwd n ASN 97 N 0.00 -0.71 -0.06 1.61 5.15 -1.26 -4.48 115.26 115.51 1nwd n ASN 97 Ca 0.00 -3.21 -0.12 0.00 -0.60 0.00 0.00 54.58 50.65 1nwd n ASN 97 Cb 0.00 0.62 -0.04 0.00 -0.53 0.00 0.00 39.78 39.83 1nwd n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1nwd n GLY 98 N 0.19 -0.33 2.70 8.20 0.00 -1.26 -4.11 105.19 110.56 1nwd n GLY 98 Ca 0.13 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.48 -0.10 -0.93 1.61 2.02 -1.25 -4.14 117.35 112.08 1nwd s TYR 99 Ca -0.22 -0.89 -0.24 0.00 -0.37 0.00 0.00 57.07 55.36 1nwd s TYR 99 Cb 0.06 -0.53 0.04 0.00 -0.40 0.00 0.00 41.96 41.13 1nwd s TYR 99 CO 0.30 -0.93 1.43 0.42 -1.57 0.00 0.00 175.55 175.19 1nwd s ILE 100 N 1.52 3.83 0.60 2.71 1.01 -0.53 -4.77 121.20 125.58 1nwd s ILE 100 Ca 0.16 -0.39 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 1nwd s ILE 100 Cb -0.17 -4.96 -0.03 0.00 0.01 0.00 0.00 42.46 37.32 1nwd s ILE 100 CO -0.08 -1.86 1.17 -0.55 0.00 0.00 0.00 174.94 173.62 1nwd s SER 101 N 4.79 5.23 0.28 3.58 0.15 -1.26 -2.92 113.70 123.56 1nwd s SER 101 Ca 0.44 2.27 0.02 0.00 0.70 0.00 0.00 55.95 59.38 1nwd s SER 101 Cb -0.03 -2.59 0.69 0.00 -1.71 0.00 0.00 66.02 62.39 1nwd s SER 101 CO -0.02 -1.56 1.69 0.00 1.20 0.00 0.00 173.24 174.55 1nwd h ALA 102 N 0.73 1.36 -0.72 5.45 0.00 -1.94 -1.01 119.26 123.14 1nwd h ALA 102 Ca -0.50 0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.73 1nwd h ALA 102 Cb 1.28 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 19.15 1nwd h ALA 102 CO 0.55 -0.36 0.21 0.00 0.00 0.00 0.00 179.25 179.66 1nwd h ALA 103 N 1.71 0.95 -0.86 0.00 0.00 -1.92 -2.44 119.26 116.69 1nwd h ALA 103 Ca 0.54 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.65 1nwd h ALA 103 Cb 1.02 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1nwd h ALA 103 CO -0.54 -0.29 0.56 0.93 0.00 0.00 0.00 179.25 179.92 1nwd h GLU 104 N 0.33 0.96 0.04 0.00 5.08 -1.54 -0.44 114.58 119.01 1nwd h GLU 104 Ca 0.40 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1nwd h GLU 104 Cb 0.63 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1nwd h GLU 104 CO -0.45 0.64 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.11 1nwd h LEU 105 N 0.99 -0.04 -1.10 1.33 -0.00 -1.58 -3.26 115.31 111.66 1nwd h LEU 105 Ca 0.36 -0.50 0.16 0.00 -0.00 0.00 0.00 57.88 57.91 1nwd h LEU 105 Cb 0.16 0.01 -0.09 0.00 -0.00 0.00 0.00 40.66 40.74 1nwd h LEU 105 CO -0.13 0.49 0.61 -0.09 -0.00 0.00 0.00 178.44 179.33 1nwd h ARG 106 N -0.59 0.78 0.54 1.13 1.12 -0.90 -1.66 114.38 114.80 1nwd h ARG 106 Ca -0.00 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 58.80 1nwd h ARG 106 Cb 0.53 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.31 1nwd h ARG 106 CO 0.01 0.52 -0.34 0.45 -3.11 0.00 0.00 179.97 177.50 1nwd h HIS 107 N 0.81 -0.90 -0.94 2.20 3.86 -1.20 -1.12 115.15 117.84 1nwd h HIS 107 Ca 0.52 -0.01 0.22 0.00 -1.16 0.00 0.00 60.37 59.94 1nwd h HIS 107 Cb 0.75 0.32 -0.12 0.00 1.06 0.00 0.00 27.41 29.42 1nwd h HIS 107 CO -0.00 -0.52 0.50 0.28 0.86 0.00 0.00 177.93 179.05 1nwd h VAL 108 N -0.84 0.54 -0.13 2.45 2.07 -1.36 -0.16 116.25 118.82 1nwd h VAL 108 Ca -0.06 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1nwd h VAL 108 Cb 0.69 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1nwd h VAL 108 CO 0.06 0.10 0.00 0.24 0.02 0.00 0.00 177.57 177.99 1nwd h MET 109 N 0.52 0.22 -0.75 1.57 2.07 -1.16 -3.27 114.93 114.13 1nwd h MET 109 Ca 0.59 -0.07 -0.01 0.00 -2.07 0.00 0.00 59.70 58.14 1nwd h MET 109 Cb 1.08 -0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 30.76 1nwd h MET 109 CO -0.48 0.45 0.44 1.15 1.07 0.00 0.00 176.91 179.54 1nwd h THR 110 N -0.04 1.22 -0.75 2.22 2.02 -0.02 -2.68 112.91 114.88 1nwd h THR 110 Ca 0.04 -0.51 0.15 0.00 0.77 0.00 0.00 66.41 66.86 1nwd h THR 110 Cb 0.35 0.20 -0.10 0.00 -1.74 0.00 0.00 68.15 66.85 1nwd h THR 110 CO 0.01 0.23 0.25 0.78 0.37 0.00 0.00 175.52 177.16 1nwd h ASN 111 N 1.03 0.16 -0.07 4.18 4.21 -1.13 -1.25 115.58 122.72 1nwd h ASN 111 Ca 0.27 0.13 -0.00 0.00 1.21 0.00 0.00 56.30 57.90 1nwd h ASN 111 Cb -0.01 0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1nwd h ASN 111 CO -0.05 0.03 0.03 -0.07 -1.29 0.00 0.00 177.43 176.08 1nwd h LEU 112 N 0.36 0.10 0.00 1.61 3.38 -1.56 -3.48 115.31 115.72 1nwd h LEU 112 Ca 0.42 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1nwd h LEU 112 Cb 0.68 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1nwd h LEU 112 CO -0.46 0.26 0.00 0.61 0.09 0.00 0.00 178.44 178.94 1nwd n GLY 113 N -0.62 3.21 3.68 0.83 0.00 -0.47 -5.13 105.19 106.69 1nwd n GLY 113 Ca -0.06 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 1nwd n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nwd n GLU 114 N 0.00 2.57 -3.39 1.61 1.02 -1.12 -4.81 120.64 116.52 1nwd n GLU 114 Ca 0.00 0.94 -0.26 0.00 -0.02 0.00 0.00 57.16 57.82 1nwd n GLU 114 Cb 0.00 -2.82 -0.09 0.00 -0.02 0.00 0.00 31.44 28.52 1nwd n GLU 114 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1nwd n LYS 115 N 5.93 1.33 -2.55 3.49 5.02 -1.26 -3.06 118.16 127.06 1nwd n LYS 115 Ca 0.19 -3.83 -0.28 0.00 -2.02 0.00 0.00 58.31 52.36 1nwd n LYS 115 Cb 0.35 -1.76 -0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1nwd n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nwd s LEU 116 N -1.41 3.60 0.02 -0.35 1.43 -1.26 -5.01 118.68 115.70 1nwd s LEU 116 Ca 0.35 1.05 -0.30 0.00 -1.03 0.00 0.00 54.13 54.20 1nwd s LEU 116 Cb 0.11 -4.00 -0.08 0.00 0.03 0.00 0.00 46.19 42.25 1nwd s LEU 116 CO -0.10 -0.59 1.87 0.42 0.23 0.00 0.00 176.35 178.18 1nwd s THR 117 N -2.75 3.12 -0.50 5.49 -4.23 -1.26 -4.88 115.64 110.63 1nwd s THR 117 Ca 0.49 0.20 0.17 0.00 -1.18 0.00 0.00 61.69 61.37 1nwd s THR 117 Cb -0.10 -3.13 0.17 0.00 1.34 0.00 0.00 72.50 70.77 1nwd s THR 117 CO 0.44 -0.02 1.51 -0.90 -0.54 0.00 0.00 174.62 175.11 1nwd n ASP 118 N 7.24 0.41 0.07 3.99 5.75 -1.26 -2.95 116.55 129.81 1nwd n ASP 118 Ca 0.19 0.66 0.04 0.00 -0.01 0.00 0.00 54.79 55.67 1nwd n ASP 118 Cb 0.41 -0.73 0.44 0.00 -1.03 0.00 0.00 41.12 40.22 1nwd n ASP 118 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1nwd h GLU 119 N 0.00 0.37 -0.85 0.11 -0.00 -1.99 -2.05 114.58 110.17 1nwd h GLU 119 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 1nwd h GLU 119 Cb 0.10 -0.07 -0.04 0.00 -0.00 0.00 0.00 28.75 28.73 1nwd h GLU 119 CO 0.00 0.32 0.54 0.93 -0.00 0.00 0.00 179.01 180.80 1nwd h GLU 120 N 0.38 1.13 0.14 1.06 3.07 -1.94 -1.08 114.58 117.34 1nwd h GLU 120 Ca 0.09 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1nwd h GLU 120 Cb 0.09 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 1nwd h GLU 120 CO -0.01 0.77 -0.07 0.28 -1.40 0.00 0.00 179.01 178.59 1nwd h VAL 121 N 1.16 0.91 -0.88 3.13 2.07 -1.61 -2.62 116.25 118.40 1nwd h VAL 121 Ca 0.31 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.75 1nwd h VAL 121 Cb -0.09 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1nwd h VAL 121 CO -0.06 0.04 0.57 0.44 0.02 0.00 0.00 177.57 178.58 1nwd h ASP 122 N -0.26 0.80 0.43 0.57 3.32 -1.26 -0.79 116.42 119.23 1nwd h ASP 122 Ca -0.02 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1nwd h ASP 122 Cb 0.21 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1nwd h ASP 122 CO 0.03 0.48 -0.21 -0.08 -1.72 0.00 0.00 179.24 177.74 1nwd h GLU 123 N 0.89 -0.56 0.00 3.56 4.57 -1.10 -1.48 114.58 120.46 1nwd h GLU 123 Ca 0.40 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 1nwd h GLU 123 Cb 0.37 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1nwd h GLU 123 CO -0.17 -0.30 0.00 0.00 -1.18 0.00 0.00 179.01 177.36 1nwd n MET 124 N -5.28 0.74 -0.07 1.92 0.00 -1.00 -1.60 117.12 111.83 1nwd n MET 124 Ca -0.11 0.01 -0.13 0.00 0.00 0.00 0.00 57.70 57.47 1nwd n MET 124 Cb 0.28 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 31.89 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 1.35 -0.08 3.17 2.04 -1.04 -3.39 117.51 119.56 1nwd h ILE 125 Ca 0.00 -2.08 0.02 0.00 1.00 0.00 0.00 64.86 63.80 1nwd h ILE 125 Cb 0.02 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1nwd h ILE 125 CO 0.00 0.46 0.09 0.03 0.00 0.00 0.00 178.15 178.73 1nwd h ARG 126 N -1.00 0.00 -0.87 2.37 2.47 -0.51 -3.19 114.38 113.65 1nwd h ARG 126 Ca -0.05 0.00 0.19 0.00 -1.26 0.00 0.00 59.98 58.86 1nwd h ARG 126 Cb 0.87 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.13 1nwd h ARG 126 CO -0.03 0.00 0.58 1.05 0.56 0.00 0.00 179.97 182.13 1nwd h GLU 127 N 0.00 0.41 -0.59 0.04 4.11 -1.49 -3.27 114.58 113.79 1nwd h GLU 127 Ca 0.04 -0.02 -0.31 0.00 0.07 0.00 0.00 59.36 59.13 1nwd h GLU 127 Cb 0.22 -0.09 -0.22 0.00 0.50 0.00 0.00 28.75 29.16 1nwd h GLU 127 CO -0.00 0.27 -0.67 0.00 0.07 0.00 0.00 179.01 178.68 1nwd n ALA 128 N -2.51 -0.11 -3.20 1.06 0.00 -1.21 -5.08 120.51 109.44 1nwd n ALA 128 Ca 0.18 -2.01 -0.46 0.00 0.00 0.00 0.00 53.44 51.15 1nwd n ALA 128 Cb 0.65 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.58 6.75 0.20 0.00 -1.08 -1.21 -4.55 116.67 115.19 1nwd s ASP 129 Ca 0.30 -2.53 -0.11 0.00 -0.52 0.00 0.00 52.55 49.69 1nwd s ASP 129 Cb 0.27 -2.27 0.15 0.00 -1.46 0.00 0.00 42.92 39.60 1nwd s ASP 129 CO -0.13 -0.71 1.87 0.40 0.52 0.00 0.00 175.17 177.13 1nwd h ILE 130 N 5.05 1.19 0.85 4.11 1.08 -1.91 -3.20 117.51 124.69 1nwd h ILE 130 Ca 0.13 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 1nwd h ILE 130 Cb 1.03 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1nwd h ILE 130 CO 0.87 0.18 -0.46 -0.78 -0.69 0.00 0.00 178.15 177.27 1nwd h ASP 131 N 0.99 -1.14 0.00 1.72 3.58 -1.91 -3.48 116.42 116.18 1nwd h ASP 131 Ca 0.27 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.77 1nwd h ASP 131 Cb -0.11 0.31 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1nwd h ASP 131 CO -0.06 -0.75 0.00 0.61 -2.88 0.00 0.00 179.24 176.17 1nwd n GLY 132 N -1.61 0.50 0.00 -0.78 0.00 -1.21 -5.14 105.19 96.94 1nwd n GLY 132 Ca -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1nwd n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nwd n ASP 133 N 0.00 1.90 -1.78 1.61 5.68 -1.26 -5.06 116.55 117.64 1nwd n ASP 133 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 1nwd n ASP 133 Cb 0.00 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.05 1nwd n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nwd n GLY 134 N 0.00 5.22 3.41 6.12 0.00 -1.26 -4.75 105.19 113.94 1nwd n GLY 134 Ca 0.00 -2.05 -0.20 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.36 1.53 -0.04 1.61 -0.21 -1.26 -3.23 119.66 114.70 1nwd s GLN 135 Ca 0.44 -1.80 -0.01 0.00 0.02 0.00 0.00 55.36 54.02 1nwd s GLN 135 Cb 0.39 -0.97 0.03 0.00 1.00 0.00 0.00 33.01 33.45 1nwd s GLN 135 CO -0.01 -0.05 0.02 0.08 -2.12 0.00 0.00 175.29 173.22 1nwd s VAL 136 N -3.17 0.10 0.02 1.09 1.01 -1.15 -4.87 120.40 113.43 1nwd s VAL 136 Ca 0.31 0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.50 1nwd s VAL 136 Cb 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.17 1nwd s VAL 136 CO 0.12 0.17 0.02 0.59 0.00 0.00 0.00 175.10 176.01 1nwd n ASN 137 N 4.70 0.03 0.25 3.32 3.02 -1.26 -1.45 115.26 123.87 1nwd n ASN 137 Ca -0.16 -1.03 -0.10 0.00 -0.03 0.00 0.00 54.58 53.27 1nwd n ASN 137 Cb 0.50 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.61 1nwd n ASN 137 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 1nwd h TYR 138 N -0.45 -0.60 0.00 3.10 0.05 -1.82 -2.42 116.97 114.83 1nwd h TYR 138 Ca -0.01 -0.01 -0.56 0.00 0.05 0.00 0.00 58.73 58.20 1nwd h TYR 138 Cb 0.03 0.20 0.01 0.00 1.01 0.00 0.00 36.73 37.98 1nwd h TYR 138 CO 0.00 -0.38 3.03 0.39 -1.05 0.00 0.00 178.16 180.16 1nwd n GLU 139 N -4.26 3.26 0.00 4.88 1.02 -1.26 -3.02 120.64 121.26 1nwd n GLU 139 Ca -0.08 -1.92 0.00 0.00 -0.02 0.00 0.00 57.16 55.14 1nwd n GLU 139 Cb 0.26 -2.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.05 1nwd n GLU 139 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1nwd n GLU 140 N 3.45 0.00 -0.02 3.49 2.13 -1.24 -4.72 120.64 123.73 1nwd n GLU 140 Ca 0.70 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 58.40 1nwd n GLU 140 Cb 0.33 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.99 1nwd n GLU 140 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1nwd h PHE 141 N 0.00 0.16 -0.05 4.31 3.57 -1.34 -0.30 116.94 123.29 1nwd h PHE 141 Ca 0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1nwd h PHE 141 Cb 0.00 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1nwd h PHE 141 CO 0.00 0.20 -0.02 0.28 -2.23 0.00 0.00 178.31 176.54 1nwd h VAL 142 N 0.08 0.94 -0.93 1.41 2.07 -1.83 -2.82 116.25 115.17 1nwd h VAL 142 Ca 0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.61 1nwd h VAL 142 Cb 0.09 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 1nwd h VAL 142 CO -0.01 0.00 0.60 -0.61 0.02 0.00 0.00 177.57 177.57 1nwd h GLN 143 N -0.01 1.09 0.25 1.57 5.75 -1.79 0.35 115.11 122.33 1nwd h GLN 143 Ca 0.03 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1nwd h GLN 143 Cb 0.04 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.33 1nwd h GLN 143 CO -0.05 0.72 -0.23 0.52 -2.65 0.00 0.00 178.83 177.13 1nwd h MET 144 N 1.12 -0.49 0.00 1.69 2.86 -1.03 -2.30 114.93 116.78 1nwd h MET 144 Ca 0.39 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.06 1nwd h MET 144 Cb 0.09 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1nwd h MET 144 CO -0.15 -0.33 0.00 -1.33 1.06 0.00 0.00 176.91 176.16 1nwd n MET 145 N -5.36 0.05 -3.13 1.72 2.81 -0.91 -3.82 117.12 108.47 1nwd n MET 145 Ca -0.09 0.17 -0.22 0.00 -1.81 0.00 0.00 57.70 55.75 1nwd n MET 145 Cb 0.27 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.24 1nwd n MET 145 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1nwd n THR 146 N -1.46 0.97 -2.66 2.03 -1.04 0.12 -5.03 114.28 107.21 1nwd n THR 146 Ca 0.05 -4.88 -0.43 0.00 -2.04 0.00 0.00 64.05 56.75 1nwd n THR 146 Cb 0.21 -0.96 -0.02 0.00 -1.82 0.00 0.00 70.33 67.73 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 -2.61 3.43 0.00 2.41 0.00 -0.91 -4.62 121.76 119.47 1nwd s ALA 147 Ca 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1nwd s ALA 147 Cb 0.29 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1nwd s ALA 147 CO -0.10 -1.62 0.00 1.17 0.00 0.00 0.00 175.76 175.21