#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 -0.35 -0.04 0.00 2.15 -1.26 -5.19 116.67 111.98 1nwd s ASP 2 Ca 0.00 0.50 -0.08 0.00 0.43 0.00 0.00 52.55 53.40 1nwd s ASP 2 Cb 0.00 0.45 0.01 0.00 -0.30 0.00 0.00 42.92 43.08 1nwd s ASP 2 CO 0.00 -0.25 0.19 0.00 -0.17 0.00 0.00 175.17 174.95 1nwd s GLN 3 N -0.63 0.39 0.36 4.34 1.03 -1.26 -5.11 119.66 118.78 1nwd s GLN 3 Ca 0.01 -0.04 0.00 0.00 0.04 0.00 0.00 55.36 55.37 1nwd s GLN 3 Cb -0.02 0.17 0.00 0.00 0.03 0.00 0.00 33.01 33.19 1nwd s GLN 3 CO -0.02 -0.08 0.00 1.28 -2.54 0.00 0.00 175.29 173.92 1nwd n LEU 4 N 2.15 -1.08 -4.82 2.60 4.77 -1.26 -5.00 117.00 114.36 1nwd n LEU 4 Ca -0.18 1.78 -0.33 0.00 -0.03 0.00 0.00 56.01 57.25 1nwd n LEU 4 Cb 0.57 -1.56 -0.05 0.00 -2.33 0.00 0.00 43.42 40.05 1nwd n LEU 4 CO 0.20 -0.46 0.68 0.28 -1.33 0.00 0.00 177.39 176.76 1nwd s THR 5 N -4.76 4.30 -0.36 -5.08 -1.32 -1.26 -4.99 115.64 102.16 1nwd s THR 5 Ca 0.00 1.30 0.27 0.00 -1.21 0.00 0.00 61.69 62.05 1nwd s THR 5 Cb 0.00 -3.60 0.32 0.00 -1.51 0.00 0.00 72.50 67.71 1nwd s THR 5 CO 0.00 -0.44 1.79 -0.08 -2.21 0.00 0.00 174.62 173.68 1nwd h GLU 6 N 1.42 0.00 -0.77 7.08 4.81 -2.02 -3.29 114.58 121.82 1nwd h GLU 6 Ca -0.48 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 58.90 1nwd h GLU 6 Cb 1.19 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.47 1nwd h GLU 6 CO 0.61 0.00 0.29 0.93 -0.73 0.00 0.00 179.01 180.10 1nwd h GLU 7 N 0.00 0.39 -0.53 1.92 5.08 -1.99 -1.33 114.58 118.13 1nwd h GLU 7 Ca 0.00 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1nwd h GLU 7 Cb 0.61 -0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.66 1nwd h GLU 7 CO 0.00 0.26 -0.25 0.37 -1.00 0.00 0.00 179.01 178.39 1nwd h GLN 8 N 0.41 -0.12 -0.24 2.33 5.75 -1.99 -1.94 115.11 119.32 1nwd h GLN 8 Ca 0.43 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.91 1nwd h GLN 8 Cb 0.69 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 1nwd h GLN 8 CO -0.44 -0.08 0.03 0.82 -2.65 0.00 0.00 178.83 176.51 1nwd h ILE 9 N -0.12 1.23 -0.93 2.39 2.04 -1.51 -3.04 117.51 117.57 1nwd h ILE 9 Ca 0.24 -0.79 0.12 0.00 1.00 0.00 0.00 64.86 65.43 1nwd h ILE 9 Cb 0.50 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.80 1nwd h ILE 9 CO -0.60 0.25 0.59 0.00 0.00 0.00 0.00 178.15 178.39 1nwd h ALA 10 N 0.84 1.67 -0.34 1.87 0.00 -0.98 -1.21 119.26 121.11 1nwd h ALA 10 Ca 0.07 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1nwd h ALA 10 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1nwd h ALA 10 CO 0.01 0.11 -0.01 0.93 0.00 0.00 0.00 179.25 180.29 1nwd h GLU 11 N 0.85 0.60 -0.58 0.00 5.08 -1.27 -1.65 114.58 117.62 1nwd h GLU 11 Ca 0.45 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 1nwd h GLU 11 Cb 0.55 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1nwd h GLU 11 CO -0.22 0.73 0.13 0.74 -1.00 0.00 0.00 179.01 179.40 1nwd h PHE 12 N 0.41 0.98 -0.03 4.33 0.04 -1.34 -0.28 116.94 121.04 1nwd h PHE 12 Ca 0.09 -0.12 0.03 0.00 2.80 0.00 0.00 57.97 60.77 1nwd h PHE 12 Cb 0.46 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 1nwd h PHE 12 CO 0.04 0.84 -0.14 0.87 -0.60 0.00 0.00 178.31 179.32 1nwd h LYS 13 N 0.84 -0.20 -0.19 1.51 1.57 -1.21 -1.12 116.57 117.77 1nwd h LYS 13 Ca 0.18 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1nwd h LYS 13 Cb 0.36 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1nwd h LYS 13 CO 0.00 -0.14 0.12 1.49 -0.57 0.00 0.00 179.45 180.36 1nwd h GLU 14 N -0.21 0.24 -0.30 3.15 4.22 -1.19 -2.10 114.58 118.39 1nwd h GLU 14 Ca 0.06 -0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.54 1nwd h GLU 14 Cb 0.29 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1nwd h GLU 14 CO -0.16 0.16 -0.04 0.00 -2.18 0.00 0.00 179.01 176.80 1nwd h ALA 15 N 1.07 0.23 -0.39 2.92 0.00 -0.94 -2.81 119.26 119.34 1nwd h ALA 15 Ca 0.07 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1nwd h ALA 15 Cb -0.03 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1nwd h ALA 15 CO -0.02 -0.44 0.21 0.35 0.00 0.00 0.00 179.25 179.36 1nwd h PHE 16 N 0.04 0.40 -0.80 0.00 3.57 -1.05 -3.13 116.94 115.97 1nwd h PHE 16 Ca 0.14 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1nwd h PHE 16 Cb 0.21 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 1nwd h PHE 16 CO -0.26 0.22 0.53 0.77 -2.23 0.00 0.00 178.31 177.34 1nwd h SER 17 N 0.43 0.84 -0.32 0.41 0.02 -1.12 -0.55 113.55 113.26 1nwd h SER 17 Ca 0.16 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1nwd h SER 17 Cb 0.04 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1nwd h SER 17 CO -0.10 0.57 0.11 -0.07 -1.14 0.00 0.00 176.83 176.20 1nwd h LEU 18 N 0.97 0.11 -0.00 5.07 3.38 -1.46 -3.06 115.31 120.32 1nwd h LEU 18 Ca 0.32 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 1nwd h LEU 18 Cb 0.07 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1nwd h LEU 18 CO -0.10 0.10 -0.25 -0.26 0.09 0.00 0.00 178.44 178.03 1nwd h PHE 19 N 0.25 0.26 -0.22 1.13 0.04 -1.63 -3.38 116.94 113.38 1nwd h PHE 19 Ca 0.14 -0.14 -0.68 0.00 2.80 0.00 0.00 57.97 60.09 1nwd h PHE 19 Cb 0.12 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.20 1nwd h PHE 19 CO -0.14 0.93 2.77 -3.47 -0.60 0.00 0.00 178.31 177.80 1nwd n ASP 20 N -4.51 3.96 -0.07 2.17 2.03 -0.23 -4.72 116.55 115.18 1nwd n ASP 20 Ca -0.10 -2.84 -0.14 0.00 0.52 0.00 0.00 54.79 52.24 1nwd n ASP 20 Cb 0.50 -1.63 -0.06 0.00 -0.72 0.00 0.00 41.12 39.21 1nwd n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1nwd h LYS 21 N 6.68 0.57 -0.19 -0.67 1.79 -1.75 -3.34 116.57 119.66 1nwd h LYS 21 Ca 0.52 -0.32 0.04 0.00 -2.18 0.00 0.00 60.65 58.70 1nwd h LYS 21 Cb 0.71 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.34 1nwd h LYS 21 CO 1.77 0.92 -0.05 -0.44 -1.08 0.00 0.00 179.45 180.57 1nwd h ASP 22 N 0.25 -0.18 0.00 0.86 5.19 -1.91 -3.47 116.42 117.15 1nwd h ASP 22 Ca 0.03 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1nwd h ASP 22 Cb 0.84 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1nwd h ASP 22 CO 0.06 -0.07 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1nwd n GLY 23 N -1.20 1.16 0.36 2.75 0.00 -1.25 -5.00 105.19 102.02 1nwd n GLY 23 Ca -0.03 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.23 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 1.40 0.52 0.00 1.61 3.04 -1.92 -3.46 116.42 117.61 1nwd h ASP 24 Ca 0.00 0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.94 1nwd h ASP 24 Cb 0.00 0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.37 1nwd h ASP 24 CO 0.00 -0.03 0.00 0.61 -2.04 0.00 0.00 179.24 177.78 1nwd n GLY 25 N -1.35 1.99 2.84 7.15 0.00 -1.26 -5.07 105.19 109.49 1nwd n GLY 25 Ca 0.30 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.05 -0.83 2.61 -4.23 -1.26 -3.03 115.64 106.85 1nwd s THR 26 Ca 0.00 0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.66 1nwd s THR 26 Cb 0.00 -0.12 0.21 0.00 1.34 0.00 0.00 72.50 73.93 1nwd s THR 26 CO 0.00 0.07 0.70 -0.63 -0.54 0.00 0.00 174.62 174.21 1nwd s ILE 27 N 0.89 4.17 0.88 2.99 1.01 -1.18 -4.94 121.20 125.03 1nwd s ILE 27 Ca -0.07 -3.70 -0.13 0.00 0.00 0.00 0.00 60.65 56.75 1nwd s ILE 27 Cb -0.10 -3.61 0.14 0.00 0.01 0.00 0.00 42.46 38.90 1nwd s ILE 27 CO -0.03 -1.04 1.24 0.28 0.00 0.00 0.00 174.94 175.38 1nwd s THR 28 N -1.09 2.02 0.14 2.92 -1.32 -1.26 -4.05 115.64 113.01 1nwd s THR 28 Ca 0.25 -0.04 -0.14 0.00 -1.21 0.00 0.00 61.69 60.55 1nwd s THR 28 Cb -0.10 -2.98 0.02 0.00 -1.51 0.00 0.00 72.50 67.93 1nwd s THR 28 CO -0.11 0.00 1.65 0.71 -2.21 0.00 0.00 174.62 174.66 1nwd h THR 29 N -1.31 1.24 -0.12 5.08 1.35 -1.89 -0.59 112.91 116.66 1nwd h THR 29 Ca -0.45 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 1nwd h THR 29 Cb 1.28 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 1nwd h THR 29 CO 0.50 0.30 0.07 0.50 -0.25 0.00 0.00 175.52 176.64 1nwd h LYS 30 N 0.63 0.14 -0.75 4.72 3.64 -1.96 -1.22 116.57 121.76 1nwd h LYS 30 Ca 0.15 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1nwd h LYS 30 Cb 0.33 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1nwd h LYS 30 CO 0.00 0.09 0.48 1.49 -2.27 0.00 0.00 179.45 179.25 1nwd h GLU 31 N 0.15 0.93 -0.26 1.90 4.81 -1.92 -2.10 114.58 118.08 1nwd h GLU 31 Ca 0.05 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1nwd h GLU 31 Cb -0.00 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 1nwd h GLU 31 CO -0.02 0.61 0.09 1.25 -0.73 0.00 0.00 179.01 180.21 1nwd h LEU 32 N 0.95 0.11 -0.49 1.64 7.12 -0.86 -2.87 115.31 120.92 1nwd h LEU 32 Ca 0.30 0.03 0.09 0.00 0.13 0.00 0.00 57.88 58.42 1nwd h LEU 32 Cb -0.02 0.01 -0.08 0.00 -0.53 0.00 0.00 40.66 40.04 1nwd h LEU 32 CO -0.10 0.10 0.01 1.23 -0.13 0.00 0.00 178.44 179.55 1nwd h GLY 33 N 0.22 0.51 0.84 3.75 0.00 -0.83 -2.57 103.07 104.98 1nwd h GLY 33 Ca 0.11 0.05 0.12 0.00 0.00 0.00 0.00 47.33 47.62 1nwd h GLY 33 CO -0.11 -0.13 0.48 -0.84 0.00 0.00 0.00 176.54 175.93 1nwd h THR 34 N 0.12 0.87 0.05 4.70 2.02 -1.16 -0.83 112.91 118.68 1nwd h THR 34 Ca 0.24 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 1nwd h THR 34 Cb 0.36 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1nwd h THR 34 CO -0.40 0.09 -0.03 0.58 0.37 0.00 0.00 175.52 176.14 1nwd h VAL 35 N 0.50 1.15 -0.54 3.16 2.07 -1.39 -1.46 116.25 119.74 1nwd h VAL 35 Ca 0.34 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1nwd h VAL 35 Cb 0.64 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1nwd h VAL 35 CO -0.11 0.17 0.33 0.24 0.02 0.00 0.00 177.57 178.22 1nwd h MET 36 N -0.38 0.63 -0.31 1.57 2.86 -1.41 -2.90 114.93 115.00 1nwd h MET 36 Ca -0.01 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 1nwd h MET 36 Cb 0.34 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.78 1nwd h MET 36 CO 0.01 0.42 -0.15 0.00 1.06 0.00 0.00 176.91 178.25 1nwd h ARG 37 N 0.65 -0.10 -0.31 1.72 2.47 -0.41 -0.81 114.38 117.60 1nwd h ARG 37 Ca 0.22 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 59.01 1nwd h ARG 37 Cb 0.02 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.29 1nwd h ARG 37 CO -0.09 -0.07 -0.16 1.03 0.56 0.00 0.00 179.97 181.24 1nwd h SER 38 N -0.10 -0.53 0.24 7.04 0.87 -1.06 -2.99 113.55 117.01 1nwd h SER 38 Ca 0.16 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1nwd h SER 38 Cb 0.35 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1nwd h SER 38 CO -0.38 -0.19 -0.13 -0.07 -0.53 0.00 0.00 176.83 175.53 1nwd h LEU 39 N -0.11 -0.32 0.00 2.23 3.38 -1.41 -3.48 115.31 115.60 1nwd h LEU 39 Ca 0.16 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1nwd h LEU 39 Cb 0.36 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1nwd h LEU 39 CO -0.38 -0.21 0.00 0.61 0.09 0.00 0.00 178.44 178.55 1nwd n GLY 40 N -1.17 -0.49 2.92 0.83 0.00 -0.67 -5.14 105.19 101.48 1nwd n GLY 40 Ca -0.04 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 0.07 -0.63 1.61 -0.21 -0.40 -5.00 119.66 115.11 1nwd s GLN 41 Ca 0.00 0.18 -0.02 0.00 0.02 0.00 0.00 55.36 55.54 1nwd s GLN 41 Cb 0.00 -0.05 0.16 0.00 1.00 0.00 0.00 33.01 34.12 1nwd s GLN 41 CO 0.00 -0.07 0.44 1.21 -2.12 0.00 0.00 175.29 174.75 1nwd s ASN 42 N 0.44 5.14 1.07 5.90 2.47 -1.26 -1.85 114.94 126.84 1nwd s ASN 42 Ca -0.03 -2.96 -0.18 0.00 0.42 0.00 0.00 52.86 50.11 1nwd s ASN 42 Cb -0.05 -1.83 0.25 0.00 -1.45 0.00 0.00 41.25 38.17 1nwd s ASN 42 CO -0.02 -0.33 1.28 -2.16 -3.72 0.00 0.00 177.10 172.15 1nwd s PRO 43 N -0.22 -0.19 0.00 0.43 0.04 -1.26 -5.11 135.00 128.70 1nwd s PRO 43 Ca 0.18 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.81 1nwd s PRO 43 Cb -0.20 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1nwd s PRO 43 CO -0.03 -2.97 0.00 0.25 0.04 0.00 0.00 177.00 174.29 1nwd n THR 44 N -4.16 0.00 0.00 1.26 -2.24 -1.26 -5.08 114.28 102.80 1nwd n THR 44 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1nwd n THR 44 Cb 0.59 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 1nwd n THR 44 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1nwd n GLU 45 N 0.00 0.00 -0.15 -0.78 2.13 -1.26 -4.67 120.64 115.92 1nwd n GLU 45 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 1nwd n GLU 45 Cb 0.00 -0.85 0.05 0.00 0.27 0.00 0.00 31.44 30.91 1nwd n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nwd h ALA 46 N 0.00 0.53 -0.43 4.31 0.00 -2.00 -2.79 119.26 118.89 1nwd h ALA 46 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1nwd h ALA 46 Cb 0.89 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1nwd h ALA 46 CO 0.00 -0.28 0.11 0.93 0.00 0.00 0.00 179.25 180.01 1nwd h GLU 47 N 0.27 0.68 -0.92 0.00 5.08 -2.00 -2.50 114.58 115.19 1nwd h GLU 47 Ca 0.23 -0.16 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1nwd h GLU 47 Cb 0.27 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 1nwd h GLU 47 CO -0.27 0.68 0.59 -0.07 -1.00 0.00 0.00 179.01 178.95 1nwd h LEU 48 N 0.55 0.86 0.09 1.33 3.38 -1.77 -0.97 115.31 118.77 1nwd h LEU 48 Ca 0.13 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1nwd h LEU 48 Cb 0.31 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1nwd h LEU 48 CO 0.00 0.51 -0.04 -0.61 0.09 0.00 0.00 178.44 178.39 1nwd h GLN 49 N 0.96 -0.11 -0.43 1.13 4.15 -1.43 -3.30 115.11 116.07 1nwd h GLN 49 Ca 0.42 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.93 1nwd h GLN 49 Cb 0.36 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.01 1nwd h GLN 49 CO -0.18 0.27 0.03 -0.44 -1.93 0.00 0.00 178.83 176.57 1nwd h ASP 50 N -0.52 -0.12 -0.68 -0.69 3.32 -0.91 -0.65 116.42 116.16 1nwd h ASP 50 Ca -0.01 0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.21 1nwd h ASP 50 Cb 0.44 0.16 -0.11 0.00 0.22 0.00 0.00 39.33 40.04 1nwd h ASP 50 CO 0.02 -0.03 -0.53 0.24 -1.72 0.00 0.00 179.24 177.22 1nwd h MET 51 N 0.14 -0.20 -0.14 3.56 2.86 -1.32 -2.76 114.93 117.07 1nwd h MET 51 Ca 0.21 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.83 1nwd h MET 51 Cb 0.30 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1nwd h MET 51 CO -0.33 -0.13 -0.07 0.82 1.06 0.00 0.00 176.91 178.26 1nwd h ILE 52 N -0.20 1.32 0.00 -1.22 2.04 -1.56 -3.30 117.51 114.59 1nwd h ILE 52 Ca 0.14 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1nwd h ILE 52 Cb 0.53 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1nwd h ILE 52 CO -0.76 0.32 0.00 0.59 0.00 0.00 0.00 178.15 178.31 1nwd n ASN 53 N -4.66 0.00 0.36 1.72 5.03 -0.28 -2.64 115.26 114.79 1nwd n ASN 53 Ca -0.06 -0.47 -0.17 0.00 0.87 0.00 0.00 54.58 54.75 1nwd n ASN 53 Cb 0.29 -0.01 -0.09 0.00 -1.02 0.00 0.00 39.78 38.96 1nwd n ASN 53 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1nwd h GLU 54 N 0.00 -0.87 0.24 3.52 4.39 -1.58 -3.36 114.58 116.92 1nwd h GLU 54 Ca 0.00 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1nwd h GLU 54 Cb 0.01 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1nwd h GLU 54 CO 0.00 -0.55 -0.12 0.28 -1.16 0.00 0.00 179.01 177.47 1nwd h VAL 55 N -1.02 0.57 -1.61 3.13 2.07 -1.76 -3.44 116.25 114.18 1nwd h VAL 55 Ca -0.09 -0.94 -0.45 0.00 0.82 0.00 0.00 66.70 66.04 1nwd h VAL 55 Cb 0.72 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1nwd h VAL 55 CO 0.15 0.14 1.50 -0.62 0.02 0.00 0.00 177.57 178.77 1nwd s ASP 56 N -5.29 4.55 0.09 0.57 -1.08 -1.10 -3.72 116.67 110.70 1nwd s ASP 56 Ca -0.11 0.88 -0.29 0.00 -0.52 0.00 0.00 52.55 52.52 1nwd s ASP 56 Cb 0.01 -2.51 -0.13 0.00 -1.46 0.00 0.00 42.92 38.83 1nwd s ASP 56 CO 0.40 -2.85 1.64 0.00 0.52 0.00 0.00 175.17 174.89 1nwd h ALA 57 N 18.42 -0.56 -0.71 3.66 0.00 -1.85 -2.67 119.26 135.54 1nwd h ALA 57 Ca -0.23 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1nwd h ALA 57 Cb 1.23 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 1nwd h ALA 57 CO 1.16 -0.84 0.45 0.38 0.00 0.00 0.00 179.25 180.40 1nwd h ASP 58 N -0.57 0.76 -4.66 0.00 2.03 -1.96 -3.48 116.42 108.54 1nwd h ASP 58 Ca -0.02 -0.01 -0.24 0.00 -0.73 0.00 0.00 57.03 56.04 1nwd h ASP 58 Cb 0.52 -0.17 0.12 0.00 -0.83 0.00 0.00 39.33 38.97 1nwd h ASP 58 CO -0.03 0.53 -0.56 0.61 -1.03 0.00 0.00 179.24 178.76 1nwd n GLY 59 N -1.29 -0.17 0.52 7.15 0.00 -1.01 -4.94 105.19 105.44 1nwd n GLY 59 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.07 1nwd n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nwd n ASN 60 N -2.56 1.19 0.00 1.61 5.03 -1.26 -4.90 115.26 114.37 1nwd n ASN 60 Ca -0.20 -2.06 0.00 0.00 0.87 0.00 0.00 54.58 53.19 1nwd n ASN 60 Cb 0.62 -0.42 0.00 0.00 -1.02 0.00 0.00 39.78 38.96 1nwd n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nwd n GLY 61 N 0.17 1.33 3.77 7.41 0.00 -1.26 -4.93 105.19 111.68 1nwd n GLY 61 Ca 0.02 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 2.37 -0.34 2.61 -4.23 -1.26 -4.42 115.64 110.36 1nwd s THR 62 Ca 0.00 0.37 0.04 0.00 -1.18 0.00 0.00 61.69 60.91 1nwd s THR 62 Cb 0.00 -3.23 0.10 0.00 1.34 0.00 0.00 72.50 70.71 1nwd s THR 62 CO 0.00 0.09 0.05 -0.51 -0.54 0.00 0.00 174.62 173.70 1nwd s ILE 63 N -1.09 2.21 0.37 2.99 2.07 -1.26 -4.91 121.20 121.59 1nwd s ILE 63 Ca 0.51 -2.28 -0.06 0.00 -1.41 0.00 0.00 60.65 57.41 1nwd s ILE 63 Cb -0.43 -2.63 0.09 0.00 0.13 0.00 0.00 42.46 39.62 1nwd s ILE 63 CO 0.58 -0.58 0.32 -0.67 -1.91 0.00 0.00 174.94 172.68 1nwd n ASP 64 N 4.28 -1.40 0.20 4.50 2.03 -1.26 -3.07 116.55 121.83 1nwd n ASP 64 Ca 0.03 -0.67 -0.08 0.00 0.52 0.00 0.00 54.79 54.59 1nwd n ASP 64 Cb 0.42 -0.30 -0.04 0.00 -0.72 0.00 0.00 41.12 40.48 1nwd n ASP 64 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1nwd h PHE 65 N -1.90 -0.48 -0.31 -0.67 3.04 -1.96 -0.44 116.94 114.22 1nwd h PHE 65 Ca -0.12 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.76 1nwd h PHE 65 Cb 0.38 0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.03 1nwd h PHE 65 CO 0.00 -0.29 -0.06 -1.00 -2.02 0.00 0.00 178.31 174.94 1nwd h PRO 66 N -0.50 0.51 -0.79 6.41 0.13 -1.95 -2.23 132.00 133.58 1nwd h PRO 66 Ca -0.05 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 1nwd h PRO 66 Cb 0.39 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.41 1nwd h PRO 66 CO 0.08 0.58 0.47 0.93 -0.23 0.00 0.00 178.00 179.83 1nwd h GLU 67 N 0.48 1.07 -0.39 0.86 5.08 -1.91 -0.32 114.58 119.45 1nwd h GLU 67 Ca 0.10 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1nwd h GLU 67 Cb 0.40 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1nwd h GLU 67 CO 0.02 0.76 0.08 0.35 -1.00 0.00 0.00 179.01 179.23 1nwd h PHE 68 N 1.08 0.66 -0.09 4.33 3.04 -0.76 -1.93 116.94 123.27 1nwd h PHE 68 Ca 0.28 -0.08 0.03 0.00 3.98 0.00 0.00 57.97 62.18 1nwd h PHE 68 Cb -0.03 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.29 1nwd h PHE 68 CO -0.01 0.65 0.07 -0.07 -2.02 0.00 0.00 178.31 176.94 1nwd h LEU 69 N 0.48 0.00 0.76 0.59 4.07 -1.05 0.32 115.31 120.49 1nwd h LEU 69 Ca 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.04 1nwd h LEU 69 Cb 0.33 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.08 1nwd h LEU 69 CO 0.00 0.00 -0.37 0.74 -1.08 0.00 0.00 178.44 177.74 1nwd h THR 70 N 0.00 0.00 -1.01 0.22 2.02 -0.71 -1.46 112.91 111.96 1nwd h THR 70 Ca 0.04 -0.23 0.24 0.00 0.77 0.00 0.00 66.41 67.23 1nwd h THR 70 Cb 0.19 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.48 1nwd h THR 70 CO -0.00 0.00 0.61 -0.03 0.37 0.00 0.00 175.52 176.47 1nwd h MET 71 N -1.26 0.55 0.38 6.66 1.85 -0.74 0.23 114.93 122.60 1nwd h MET 71 Ca -0.10 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 58.93 1nwd h MET 71 Cb 0.78 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 32.69 1nwd h MET 71 CO 0.17 0.36 -0.18 0.52 -0.40 0.00 0.00 176.91 177.38 1nwd h MET 72 N 0.57 -0.49 0.00 0.39 2.07 -1.01 -3.43 114.93 113.03 1nwd h MET 72 Ca 0.62 0.03 0.00 0.00 -2.07 0.00 0.00 59.70 58.29 1nwd h MET 72 Cb 1.24 0.11 0.00 0.00 -1.87 0.00 0.00 31.60 31.08 1nwd h MET 72 CO -0.42 -0.33 0.00 0.00 1.07 0.00 0.00 176.91 177.23 1nwd n ALA 73 N -2.72 0.00 -0.04 6.32 0.00 -0.55 -4.76 120.51 118.76 1nwd n ALA 73 Ca -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 53.44 53.32 1nwd n ALA 73 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 0.00 -0.35 0.00 -0.00 -1.40 -3.47 114.38 109.16 1nwd h ARG 74 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1nwd h ARG 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1nwd h ARG 74 CO 0.00 0.00 -0.08 1.17 0.00 0.00 0.00 179.97 181.06 1nwd n LYS 75 N -3.98 -0.44 -1.42 0.04 4.81 0.69 -3.94 118.16 113.93 1nwd n LYS 75 Ca -0.01 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1nwd n LYS 75 Cb 0.02 -0.36 0.00 0.00 0.02 0.00 0.00 35.03 34.72 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 -0.53 0.00 -0.74 1.64 1.56 -1.26 -4.41 117.12 113.38 1nwd n MET 76 Ca 0.00 0.47 0.00 0.00 -0.27 0.00 0.00 57.70 57.90 1nwd n MET 76 Cb 0.00 -0.94 0.00 0.00 2.15 0.00 0.00 33.22 34.43 1nwd n MET 76 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1nwd n LYS 77 N 0.06 -0.85 -0.67 2.12 4.81 -1.24 -4.03 118.16 118.35 1nwd n LYS 77 Ca 0.00 1.03 -0.04 0.00 -0.87 0.00 0.00 58.31 58.43 1nwd n LYS 77 Cb 0.00 -0.65 -0.06 0.00 0.02 0.00 0.00 35.03 34.34 1nwd n LYS 77 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1nwd n ASP 78 N 0.29 5.25 0.00 3.14 5.75 -1.26 -3.97 116.55 125.75 1nwd n ASP 78 Ca 0.00 -2.42 0.00 0.00 -0.01 0.00 0.00 54.79 52.36 1nwd n ASP 78 Cb 0.00 -1.22 0.00 0.00 -1.03 0.00 0.00 41.12 38.87 1nwd n ASP 78 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1nwd n THR 79 N 1.85 0.00 -3.16 2.12 -2.24 -1.26 -5.06 114.28 106.53 1nwd n THR 79 Ca 0.15 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.50 1nwd n THR 79 Cb 0.64 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.12 6.28 0.00 3.42 1.01 -1.26 -4.83 116.67 122.41 1nwd s ASP 80 Ca 0.00 -0.51 0.00 0.00 0.71 0.00 0.00 52.55 52.75 1nwd s ASP 80 Cb 0.00 -2.30 0.00 0.00 1.01 0.00 0.00 42.92 41.63 1nwd s ASP 80 CO 0.00 -0.76 0.00 -1.54 0.21 0.00 0.00 175.17 173.08 1nwd n SER 81 N 6.12 0.16 -0.27 0.27 3.41 -1.25 -4.60 113.62 117.45 1nwd n SER 81 Ca -0.04 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.70 1nwd n SER 81 Cb 0.47 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.81 1nwd n SER 81 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1nwd h GLU 82 N 0.00 0.64 0.03 4.33 4.11 -1.77 -1.71 114.58 120.21 1nwd h GLU 82 Ca 0.00 -0.04 0.03 0.00 0.07 0.00 0.00 59.36 59.42 1nwd h GLU 82 Cb 0.43 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1nwd h GLU 82 CO 0.00 0.42 -0.21 0.93 0.07 0.00 0.00 179.01 180.23 1nwd h GLU 83 N 0.66 -0.33 -0.82 1.06 4.39 -1.91 -1.65 114.58 115.97 1nwd h GLU 83 Ca 0.46 0.02 0.10 0.00 0.34 0.00 0.00 59.36 60.28 1nwd h GLU 83 Cb 0.78 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.43 1nwd h GLU 83 CO -0.21 -0.22 0.46 0.93 -1.16 0.00 0.00 179.01 178.81 1nwd h GLU 84 N -0.35 0.75 -0.06 2.33 4.39 -1.57 -0.48 114.58 119.60 1nwd h GLU 84 Ca 0.05 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1nwd h GLU 84 Cb 0.41 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1nwd h GLU 84 CO -0.17 0.49 -0.61 0.82 -1.16 0.00 0.00 179.01 178.38 1nwd h ILE 85 N 0.77 1.40 -0.44 3.13 1.08 -1.38 -2.04 117.51 120.03 1nwd h ILE 85 Ca 0.40 -2.02 -0.05 0.00 -0.39 0.00 0.00 64.86 62.81 1nwd h ILE 85 Cb 0.39 2.04 -0.02 0.00 -3.07 0.00 0.00 36.82 36.16 1nwd h ILE 85 CO -0.26 0.59 0.08 0.03 -0.69 0.00 0.00 178.15 177.91 1nwd h ARG 86 N 0.15 0.72 -0.29 2.37 3.08 -0.38 -0.64 114.38 119.39 1nwd h ARG 86 Ca -0.01 -0.19 0.07 0.00 0.07 0.00 0.00 59.98 59.92 1nwd h ARG 86 Cb 1.11 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 31.01 1nwd h ARG 86 CO 0.09 0.74 -0.16 0.93 -1.07 0.00 0.00 179.97 180.50 1nwd h GLU 87 N 0.58 -0.13 -0.57 0.04 3.07 -0.99 -2.27 114.58 114.32 1nwd h GLU 87 Ca 0.13 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.04 1nwd h GLU 87 Cb 0.36 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 1nwd h GLU 87 CO 0.01 -0.08 0.38 0.00 -1.40 0.00 0.00 179.01 177.91 1nwd h ALA 88 N 1.07 1.73 -0.10 3.43 0.00 -1.20 -2.71 119.26 121.48 1nwd h ALA 88 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1nwd h ALA 88 Cb 0.36 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1nwd h ALA 88 CO -0.37 0.20 0.03 0.74 0.00 0.00 0.00 179.25 179.85 1nwd h PHE 89 N 0.64 0.16 -0.55 0.00 -1.00 -0.57 -1.23 116.94 114.40 1nwd h PHE 89 Ca 0.23 -0.02 0.06 0.00 2.81 0.00 0.00 57.97 61.06 1nwd h PHE 89 Cb 0.12 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.61 1nwd h PHE 89 CO -0.00 0.31 0.36 0.00 -1.61 0.00 0.00 178.31 177.38 1nwd h ARG 90 N -0.04 0.48 0.24 1.51 3.08 -1.13 0.20 114.38 118.72 1nwd h ARG 90 Ca 0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1nwd h ARG 90 Cb 0.23 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1nwd h ARG 90 CO -0.00 0.32 -0.12 0.28 -1.07 0.00 0.00 179.97 179.38 1nwd h VAL 91 N 0.50 0.80 0.00 2.04 2.07 -1.40 -3.41 116.25 116.85 1nwd h VAL 91 Ca 0.24 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1nwd h VAL 91 Cb 0.30 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1nwd h VAL 91 CO -0.07 0.14 0.00 0.49 0.02 0.00 0.00 177.57 178.16 1nwd n PHE 92 N -5.07 0.00 -2.44 1.57 3.01 -0.48 -4.75 117.46 109.30 1nwd n PHE 92 Ca -0.09 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.95 1nwd n PHE 92 Cb 0.25 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.69 1nwd n PHE 92 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1nwd s ASP 93 N -1.54 7.08 0.20 4.37 -1.08 0.63 -4.64 116.67 121.69 1nwd s ASP 93 Ca 0.00 1.96 -0.06 0.00 -0.52 0.00 0.00 52.55 53.93 1nwd s ASP 93 Cb 0.00 -2.57 0.13 0.00 -1.46 0.00 0.00 42.92 39.02 1nwd s ASP 93 CO 0.00 -0.49 1.59 0.11 0.52 0.00 0.00 175.17 176.90 1nwd h LYS 94 N 6.98 0.80 0.45 4.34 1.79 -1.80 -3.26 116.57 125.87 1nwd h LYS 94 Ca -0.40 -0.35 -0.02 0.00 -2.18 0.00 0.00 60.65 57.70 1nwd h LYS 94 Cb 1.20 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1nwd h LYS 94 CO 0.83 0.98 -0.22 -0.44 -1.08 0.00 0.00 179.45 179.52 1nwd h ASP 95 N 0.68 -0.51 -4.12 0.86 3.32 -1.91 -3.49 116.42 111.25 1nwd h ASP 95 Ca 0.08 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 1nwd h ASP 95 Cb 0.81 0.13 0.06 0.00 0.22 0.00 0.00 39.33 40.56 1nwd h ASP 95 CO 0.07 -0.09 -0.28 0.61 -1.72 0.00 0.00 179.24 177.83 1nwd n GLY 96 N 0.18 -0.26 2.21 2.75 0.00 -1.23 -4.96 105.19 103.89 1nwd n GLY 96 Ca -0.08 0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.01 4.34 0.00 1.61 6.94 -1.26 -4.95 115.26 119.93 1nwd n ASN 97 Ca -0.02 -3.48 0.00 0.00 -0.02 0.00 0.00 54.58 51.06 1nwd n ASN 97 Cb 0.54 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.58 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 -0.65 1.69 3.66 4.83 0.00 -1.26 -4.91 105.19 108.55 1nwd n GLY 98 Ca 0.37 -0.01 -0.49 0.00 0.00 0.00 0.00 46.02 45.89 1nwd n GLY 98 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nwd n TYR 99 N 0.00 2.11 -3.65 1.61 4.01 -1.26 -4.31 117.16 115.67 1nwd n TYR 99 Ca 0.00 0.31 -0.39 0.00 -0.16 0.00 0.00 57.90 57.66 1nwd n TYR 99 Cb 0.00 -2.52 -0.10 0.00 -0.31 0.00 0.00 39.34 36.41 1nwd n TYR 99 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1nwd s ILE 100 N 1.68 3.98 0.40 -0.72 -1.09 -0.45 -4.72 121.20 120.29 1nwd s ILE 100 Ca 0.84 -1.50 -0.25 0.00 -2.23 0.00 0.00 60.65 57.51 1nwd s ILE 100 Cb -0.77 -3.47 -0.08 0.00 -1.58 0.00 0.00 42.46 36.55 1nwd s ILE 100 CO 0.45 -0.51 1.15 -0.55 -1.23 0.00 0.00 174.94 174.25 1nwd s SER 101 N 2.02 6.54 0.14 3.58 0.15 -1.26 -1.59 113.70 123.28 1nwd s SER 101 Ca 0.03 2.31 -0.17 0.00 0.70 0.00 0.00 55.95 58.82 1nwd s SER 101 Cb -0.23 -2.61 -0.00 0.00 -1.71 0.00 0.00 66.02 61.47 1nwd s SER 101 CO 0.01 -0.66 1.79 0.00 1.20 0.00 0.00 173.24 175.58 1nwd h ALA 102 N 2.60 0.41 -0.77 5.45 0.00 -1.94 -1.59 119.26 123.42 1nwd h ALA 102 Ca -0.49 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.45 1nwd h ALA 102 Cb 1.23 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1nwd h ALA 102 CO 0.62 -0.16 0.48 0.00 0.00 0.00 0.00 179.25 180.20 1nwd h ALA 103 N 1.14 1.01 0.00 0.00 0.00 -1.94 -2.10 119.26 117.38 1nwd h ALA 103 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1nwd h ALA 103 Cb -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1nwd h ALA 103 CO -0.05 0.28 -0.11 0.93 0.00 0.00 0.00 179.25 180.29 1nwd h GLU 104 N 0.94 0.00 0.24 0.00 5.08 -1.90 -3.09 114.58 115.85 1nwd h GLU 104 Ca 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1nwd h GLU 104 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1nwd h GLU 104 CO -0.12 0.11 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.82 1nwd h LEU 105 N 0.00 -0.27 -2.53 1.33 3.38 -0.65 -3.34 115.31 113.22 1nwd h LEU 105 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1nwd h LEU 105 Cb 0.66 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1nwd h LEU 105 CO 0.01 0.23 0.15 0.08 0.09 0.00 0.00 178.44 179.01 1nwd h ARG 106 N -1.02 0.00 0.57 1.13 -0.00 -1.46 -1.89 114.38 111.71 1nwd h ARG 106 Ca -0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.92 1nwd h ARG 106 Cb 0.40 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.38 1nwd h ARG 106 CO 0.05 0.00 -0.27 0.45 -0.00 0.00 0.00 179.97 180.20 1nwd h HIS 107 N 0.00 -0.71 -0.05 4.08 3.86 -1.66 -3.00 115.15 117.68 1nwd h HIS 107 Ca 0.00 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1nwd h HIS 107 Cb 0.31 0.23 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 1nwd h HIS 107 CO 0.00 -0.44 0.04 -0.24 0.86 0.00 0.00 177.93 178.15 1nwd h VAL 108 N -0.78 0.97 -0.32 2.45 3.04 -1.47 -0.54 116.25 119.60 1nwd h VAL 108 Ca -0.08 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.63 1nwd h VAL 108 Cb 0.59 0.97 -0.03 0.00 -2.01 0.00 0.00 31.29 30.81 1nwd h VAL 108 CO 0.13 0.00 0.17 0.24 -1.01 0.00 0.00 177.57 177.09 1nwd h MET 109 N 0.00 0.33 -0.07 4.17 2.86 -1.56 -3.04 114.93 117.63 1nwd h MET 109 Ca 0.02 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1nwd h MET 109 Cb 0.10 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1nwd h MET 109 CO -0.00 0.22 -0.50 1.15 1.06 0.00 0.00 176.91 178.84 1nwd h THR 110 N 0.34 1.35 -0.39 2.22 2.02 -0.99 -3.23 112.91 114.24 1nwd h THR 110 Ca 0.13 -1.74 0.07 0.00 0.77 0.00 0.00 66.41 65.65 1nwd h THR 110 Cb 0.04 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1nwd h THR 110 CO -0.09 0.51 0.27 0.78 0.37 0.00 0.00 175.52 177.36 1nwd h ASN 111 N 0.14 0.19 -0.58 4.18 4.21 -1.15 -0.19 115.58 122.38 1nwd h ASN 111 Ca 0.00 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.46 1nwd h ASN 111 Cb 0.94 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 38.07 1nwd h ASN 111 CO 0.07 0.12 0.15 -0.07 -1.29 0.00 0.00 177.43 176.42 1nwd h LEU 112 N 0.22 0.87 0.00 1.61 3.38 -1.61 -3.48 115.31 116.30 1nwd h LEU 112 Ca 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1nwd h LEU 112 Cb 0.42 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1nwd h LEU 112 CO -0.03 0.87 0.00 0.61 0.09 0.00 0.00 178.44 179.98 1nwd n GLY 113 N -0.66 0.63 2.44 0.83 0.00 -0.08 -5.10 105.19 103.25 1nwd n GLY 113 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 0.36 -2.14 1.61 1.02 -1.25 -5.06 120.64 115.19 1nwd n GLU 114 Ca 0.00 -3.31 -0.42 0.00 -0.02 0.00 0.00 57.16 53.41 1nwd n GLU 114 Cb 0.00 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 1nwd n GLU 114 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1nwd n LYS 115 N 2.74 3.13 -3.04 3.49 4.81 -1.26 -4.39 118.16 123.64 1nwd n LYS 115 Ca 0.29 -3.04 -0.23 0.00 -0.87 0.00 0.00 58.31 54.46 1nwd n LYS 115 Cb 0.47 -3.23 0.01 0.00 0.02 0.00 0.00 35.03 32.29 1nwd n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1nwd s LEU 116 N 2.05 3.70 0.16 3.14 1.02 -1.26 -5.05 118.68 122.44 1nwd s LEU 116 Ca 0.46 0.29 -0.34 0.00 0.02 0.00 0.00 54.13 54.57 1nwd s LEU 116 Cb 0.10 -3.17 -0.14 0.00 0.02 0.00 0.00 46.19 42.99 1nwd s LEU 116 CO -0.03 -0.64 1.55 0.35 0.02 0.00 0.00 176.35 177.61 1nwd n THR 117 N -2.03 0.04 0.19 5.49 -2.24 -1.26 -4.93 114.28 109.54 1nwd n THR 117 Ca 0.01 -0.01 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1nwd n THR 117 Cb 0.57 -1.49 0.34 0.00 -2.10 0.00 0.00 70.33 67.66 1nwd n THR 117 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1nwd h ASP 118 N 5.76 0.00 0.01 3.42 2.03 -2.00 -3.07 116.42 122.57 1nwd h ASP 118 Ca -0.45 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 55.85 1nwd h ASP 118 Cb 1.26 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.76 1nwd h ASP 118 CO 0.88 0.36 -0.00 1.05 -1.03 0.00 0.00 179.24 180.49 1nwd h GLU 119 N 0.00 0.00 -0.32 4.15 4.11 -1.99 -2.29 114.58 118.24 1nwd h GLU 119 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1nwd h GLU 119 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1nwd h GLU 119 CO 0.05 0.00 0.09 0.93 0.07 0.00 0.00 179.01 180.15 1nwd h GLU 120 N 0.00 0.51 -0.26 1.06 4.39 -1.93 -1.15 114.58 117.19 1nwd h GLU 120 Ca -0.00 -0.11 0.05 0.00 0.34 0.00 0.00 59.36 59.63 1nwd h GLU 120 Cb 0.01 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 1nwd h GLU 120 CO 0.00 0.56 -0.02 0.28 -1.16 0.00 0.00 179.01 178.66 1nwd h VAL 121 N 0.36 0.78 -0.69 3.13 2.07 -1.59 -2.87 116.25 117.44 1nwd h VAL 121 Ca 0.10 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1nwd h VAL 121 Cb 0.27 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1nwd h VAL 121 CO -0.00 0.01 0.32 0.44 0.02 0.00 0.00 177.57 178.36 1nwd h ASP 122 N 0.05 0.89 0.20 0.57 3.32 -1.32 -3.05 116.42 117.08 1nwd h ASP 122 Ca 0.13 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1nwd h ASP 122 Cb 0.18 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1nwd h ASP 122 CO -0.23 0.76 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.37 1nwd h GLU 123 N 0.98 -0.61 -0.71 3.56 4.39 -0.99 -1.14 114.58 120.06 1nwd h GLU 123 Ca 0.24 0.04 0.13 0.00 0.34 0.00 0.00 59.36 60.11 1nwd h GLU 123 Cb 0.11 0.14 -0.13 0.00 -0.10 0.00 0.00 28.75 28.77 1nwd h GLU 123 CO -0.03 -0.41 -0.26 0.52 -1.16 0.00 0.00 179.01 177.67 1nwd h MET 124 N -0.63 -0.06 0.76 2.33 2.86 -1.46 -1.16 114.93 117.56 1nwd h MET 124 Ca 0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1nwd h MET 124 Cb 0.63 0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.31 1nwd h MET 124 CO -0.16 -0.04 -0.36 0.82 1.06 0.00 0.00 176.91 178.23 1nwd h ILE 125 N -0.06 0.00 -0.41 -1.22 2.04 -1.41 -3.26 117.51 113.18 1nwd h ILE 125 Ca 0.31 -0.09 0.09 0.00 1.00 0.00 0.00 64.86 66.16 1nwd h ILE 125 Cb 0.56 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1nwd h ILE 125 CO -0.76 0.00 0.28 0.03 0.00 0.00 0.00 178.15 177.71 1nwd h ARG 126 N -1.11 0.16 -0.90 2.37 3.08 -0.97 -0.26 114.38 116.76 1nwd h ARG 126 Ca -0.10 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.01 1nwd h ARG 126 Cb 0.78 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.73 1nwd h ARG 126 CO 0.17 0.11 0.58 0.93 -1.07 0.00 0.00 179.97 180.69 1nwd h GLU 127 N 0.17 0.94 -1.88 0.04 5.08 -1.26 -3.34 114.58 114.33 1nwd h GLU 127 Ca 0.19 -0.06 -0.52 0.00 -1.00 0.00 0.00 59.36 57.97 1nwd h GLU 127 Cb 0.53 -0.21 -0.35 0.00 0.50 0.00 0.00 28.75 29.22 1nwd h GLU 127 CO -0.03 0.62 -0.99 0.00 -1.00 0.00 0.00 179.01 177.62 1nwd n ALA 128 N -2.40 2.00 -3.90 3.43 0.00 -0.20 -5.06 120.51 114.38 1nwd n ALA 128 Ca 0.14 -3.01 -0.30 0.00 0.00 0.00 0.00 53.44 50.27 1nwd n ALA 128 Cb 0.24 -0.87 -0.15 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.76 4.13 -0.09 0.00 -1.08 -0.64 -4.65 116.67 113.58 1nwd s ASP 129 Ca 0.34 -1.56 -0.13 0.00 -0.52 0.00 0.00 52.55 50.68 1nwd s ASP 129 Cb 0.13 -1.21 -0.10 0.00 -1.46 0.00 0.00 42.92 40.28 1nwd s ASP 129 CO -0.15 -0.32 0.43 0.40 0.52 0.00 0.00 175.17 176.05 1nwd h ILE 130 N 6.60 0.61 0.87 4.11 2.04 -1.92 -3.38 117.51 126.44 1nwd h ILE 130 Ca -0.13 -1.31 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 1nwd h ILE 130 Cb 1.04 1.11 0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1nwd h ILE 130 CO 0.46 0.19 -0.42 -0.78 0.00 0.00 0.00 178.15 177.60 1nwd h ASP 131 N -0.99 -0.99 -2.58 1.72 3.58 -1.96 -3.49 116.42 111.71 1nwd h ASP 131 Ca -0.01 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1nwd h ASP 131 Cb 0.39 0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.70 1nwd h ASP 131 CO 0.02 -0.66 0.00 0.61 -2.88 0.00 0.00 179.24 176.33 1nwd n GLY 132 N -1.33 -1.82 1.06 -0.78 0.00 -1.26 -5.07 105.19 95.98 1nwd n GLY 132 Ca -0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.14 -0.03 -2.48 1.61 5.75 -1.26 -5.01 116.55 114.98 1nwd n ASP 133 Ca 0.00 -1.87 -0.18 0.00 -0.01 0.00 0.00 54.79 52.73 1nwd n ASP 133 Cb 0.00 -0.02 0.03 0.00 -1.03 0.00 0.00 41.12 40.11 1nwd n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nwd n GLY 134 N 0.18 -0.24 3.01 6.12 0.00 -1.26 -5.02 105.19 107.98 1nwd n GLY 134 Ca -0.09 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1nwd n GLY 134 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nwd n GLN 135 N -3.43 0.60 -3.69 1.61 6.02 -1.26 -3.65 117.38 113.59 1nwd n GLN 135 Ca -0.07 -2.57 -0.30 0.00 -0.01 0.00 0.00 57.00 54.05 1nwd n GLN 135 Cb 0.59 2.43 -0.15 0.00 1.02 0.00 0.00 30.24 34.13 1nwd n GLN 135 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1nwd s VAL 136 N -2.83 0.75 1.26 5.09 1.01 -0.62 -4.88 120.40 120.18 1nwd s VAL 136 Ca 0.27 -1.45 -0.15 0.00 0.00 0.00 0.00 61.98 60.65 1nwd s VAL 136 Cb -0.01 -1.57 0.32 0.00 0.00 0.00 0.00 36.38 35.13 1nwd s VAL 136 CO 0.19 -0.73 0.99 0.21 0.00 0.00 0.00 175.10 175.77 1nwd s ASN 137 N 1.51 0.20 0.12 3.32 3.84 -1.26 -1.35 114.94 121.33 1nwd s ASN 137 Ca 0.11 1.36 -0.21 0.00 0.21 0.00 0.00 52.86 54.33 1nwd s ASN 137 Cb -0.18 -2.08 -0.04 0.00 -0.55 0.00 0.00 41.25 38.40 1nwd s ASN 137 CO -0.22 -4.66 1.70 1.88 -2.79 0.00 0.00 177.10 173.01 1nwd h TYR 138 N -2.93 -0.15 0.00 0.43 -1.99 -1.96 0.16 116.97 110.52 1nwd h TYR 138 Ca -0.59 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.16 1nwd h TYR 138 Cb 1.34 0.09 0.00 0.00 2.00 0.00 0.00 36.73 40.16 1nwd h TYR 138 CO -0.58 -0.11 0.00 0.39 -0.00 0.00 0.00 178.16 177.86 1nwd n GLU 139 N -5.21 0.44 -0.01 4.88 4.71 -1.26 -1.85 120.64 122.34 1nwd n GLU 139 Ca -0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.11 1nwd n GLU 139 Cb 0.13 -1.16 -0.01 0.00 -1.01 0.00 0.00 31.44 29.39 1nwd n GLU 139 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1nwd n GLU 140 N -0.66 1.72 -0.11 3.49 1.02 -0.86 -4.29 120.64 120.95 1nwd n GLU 140 Ca 0.03 0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 1nwd n GLU 140 Cb 0.02 -1.05 -0.03 0.00 -0.02 0.00 0.00 31.44 30.36 1nwd n GLU 140 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1nwd h PHE 141 N 0.00 0.85 0.25 -0.32 3.04 -0.30 -0.37 116.94 120.10 1nwd h PHE 141 Ca -0.05 -0.22 -0.01 0.00 3.98 0.00 0.00 57.97 61.66 1nwd h PHE 141 Cb 1.10 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.42 1nwd h PHE 141 CO 0.00 0.96 -0.12 0.28 -2.02 0.00 0.00 178.31 177.41 1nwd h VAL 142 N 0.51 0.80 0.00 1.41 2.07 -1.62 -3.34 116.25 116.08 1nwd h VAL 142 Ca 0.07 -0.40 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 1nwd h VAL 142 Cb 0.75 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1nwd h VAL 142 CO 0.06 0.09 -0.51 -0.61 0.02 0.00 0.00 177.57 176.61 1nwd h GLN 143 N -0.54 0.00 -0.27 1.57 5.75 -1.71 0.34 115.11 120.25 1nwd h GLN 143 Ca -0.03 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.35 1nwd h GLN 143 Cb 0.40 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 1nwd h GLN 143 CO 0.06 0.51 -0.32 0.00 -2.65 0.00 0.00 178.83 176.43 1nwd h MET 144 N 0.00 0.57 0.00 1.69 -0.00 -1.23 -1.71 114.93 114.25 1nwd h MET 144 Ca -0.01 -0.25 -0.18 0.00 -0.00 0.00 0.00 59.70 59.26 1nwd h MET 144 Cb 0.93 -0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 32.49 1nwd h MET 144 CO 0.07 0.82 -0.86 0.52 -0.00 0.00 0.00 176.91 177.46 1nwd h MET 145 N 0.49 0.00 -1.91 -0.10 2.86 -1.60 -3.33 114.93 111.34 1nwd h MET 145 Ca 0.06 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 57.02 1nwd h MET 145 Cb 0.80 0.00 -0.35 0.00 0.06 0.00 0.00 31.60 32.11 1nwd h MET 145 CO 0.07 0.86 0.13 2.41 1.06 0.00 0.00 176.91 181.44 1nwd n THR 146 N -3.46 3.44 -2.65 2.22 -1.04 0.08 -5.02 114.28 107.85 1nwd n THR 146 Ca -0.00 -4.99 -0.43 0.00 -2.04 0.00 0.00 64.05 56.59 1nwd n THR 146 Cb 0.84 -1.32 -0.02 0.00 -1.82 0.00 0.00 70.33 68.00 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 -3.82 3.29 0.00 2.41 0.00 -0.66 -4.73 121.76 118.25 1nwd s ALA 147 Ca 0.48 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1nwd s ALA 147 Cb 0.36 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1nwd s ALA 147 CO -0.25 -1.95 0.00 1.63 0.00 0.00 0.00 175.76 175.19