#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 -0.58 -0.01 0.00 2.15 -1.26 -5.18 116.67 111.80 1nwd s ASP 2 Ca 0.00 0.82 0.01 0.00 0.43 0.00 0.00 52.55 53.81 1nwd s ASP 2 Cb 0.00 0.79 0.00 0.00 -0.30 0.00 0.00 42.92 43.41 1nwd s ASP 2 CO 0.00 -0.43 -0.03 -1.10 -0.17 0.00 0.00 175.17 173.44 1nwd s GLN 3 N -0.62 0.26 -0.05 4.34 -0.21 -1.26 -5.08 119.66 117.04 1nwd s GLN 3 Ca -0.07 -0.08 -0.26 0.00 0.02 0.00 0.00 55.36 54.97 1nwd s GLN 3 Cb -0.03 -0.28 -0.21 0.00 1.00 0.00 0.00 33.01 33.50 1nwd s GLN 3 CO 0.06 0.03 1.13 -0.07 -2.12 0.00 0.00 175.29 174.31 1nwd h LEU 4 N 6.29 -0.04 -8.28 2.90 3.38 -2.05 -3.48 115.31 114.03 1nwd h LEU 4 Ca -0.29 -0.55 -0.15 0.00 0.09 0.00 0.00 57.88 56.98 1nwd h LEU 4 Cb 1.19 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.81 1nwd h LEU 4 CO 0.50 0.54 -0.51 0.28 0.09 0.00 0.00 178.44 179.34 1nwd s THR 5 N -3.81 0.09 0.21 0.22 -1.32 -1.26 -5.06 115.64 104.71 1nwd s THR 5 Ca -0.16 -1.69 0.36 0.00 -1.21 0.00 0.00 61.69 58.99 1nwd s THR 5 Cb 0.01 -1.95 0.39 0.00 -1.51 0.00 0.00 72.50 69.44 1nwd s THR 5 CO 0.65 -0.40 2.07 -0.08 -2.21 0.00 0.00 174.62 174.64 1nwd h GLU 6 N 2.74 0.00 -0.70 7.08 4.81 -2.01 -3.29 114.58 123.21 1nwd h GLU 6 Ca -0.34 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.03 1nwd h GLU 6 Cb 1.21 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.50 1nwd h GLU 6 CO 0.55 0.00 0.22 0.93 -0.73 0.00 0.00 179.01 179.98 1nwd h GLU 7 N 0.00 0.34 -0.48 1.92 4.39 -1.99 -0.89 114.58 117.87 1nwd h GLU 7 Ca 0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1nwd h GLU 7 Cb 0.32 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1nwd h GLU 7 CO 0.00 0.22 0.22 0.37 -1.16 0.00 0.00 179.01 178.66 1nwd h GLN 8 N 0.35 0.70 -0.36 2.33 4.15 -2.00 -1.45 115.11 118.83 1nwd h GLN 8 Ca 0.38 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.71 1nwd h GLN 8 Cb 0.59 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 1nwd h GLN 8 CO -0.42 0.61 0.19 0.82 -1.93 0.00 0.00 178.83 178.09 1nwd h ILE 9 N 0.63 1.00 -0.73 2.39 2.04 -1.50 -2.49 117.51 118.85 1nwd h ILE 9 Ca 0.16 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1nwd h ILE 9 Cb 0.15 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1nwd h ILE 9 CO -0.02 0.07 0.40 0.00 0.00 0.00 0.00 178.15 178.60 1nwd h ALA 10 N 1.18 1.32 0.15 1.87 0.00 -1.08 -1.21 119.26 121.48 1nwd h ALA 10 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nwd h ALA 10 Cb 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1nwd h ALA 10 CO -0.10 0.55 -0.14 1.49 0.00 0.00 0.00 179.25 181.06 1nwd h GLU 11 N 1.02 -0.30 -0.41 0.00 4.22 -0.88 -1.26 114.58 116.98 1nwd h GLU 11 Ca 0.26 0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.65 1nwd h GLU 11 Cb 0.03 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1nwd h GLU 11 CO -0.04 -0.20 -0.05 0.74 -2.18 0.00 0.00 179.01 177.28 1nwd h PHE 12 N -0.31 0.73 -0.00 0.92 0.04 -1.33 -1.22 116.94 115.76 1nwd h PHE 12 Ca 0.00 -0.10 0.02 0.00 2.80 0.00 0.00 57.97 60.68 1nwd h PHE 12 Cb 0.30 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1nwd h PHE 12 CO -0.13 0.71 -0.09 -0.22 -0.60 0.00 0.00 178.31 177.98 1nwd h LYS 13 N 0.63 -0.15 -0.69 1.51 3.64 -1.01 -2.68 116.57 117.82 1nwd h LYS 13 Ca 0.12 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 1nwd h LYS 13 Cb 0.47 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 1nwd h LYS 13 CO 0.02 -0.10 0.40 1.49 -2.27 0.00 0.00 179.45 178.99 1nwd h GLU 14 N -0.16 0.72 -0.71 1.90 4.81 -1.08 -1.82 114.58 118.24 1nwd h GLU 14 Ca 0.04 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.32 1nwd h GLU 14 Cb 0.20 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.35 1nwd h GLU 14 CO -0.09 0.47 0.34 0.00 -0.73 0.00 0.00 179.01 178.99 1nwd h ALA 15 N 1.34 0.97 -0.06 2.92 0.00 -0.94 -2.26 119.26 121.24 1nwd h ALA 15 Ca 0.30 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1nwd h ALA 15 Cb 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1nwd h ALA 15 CO -0.17 -0.08 -0.05 0.35 0.00 0.00 0.00 179.25 179.30 1nwd h PHE 16 N 0.56 0.17 -0.34 0.00 3.57 -1.29 -3.36 116.94 116.25 1nwd h PHE 16 Ca 0.36 -0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.88 1nwd h PHE 16 Cb 0.41 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.03 1nwd h PHE 16 CO -0.12 0.57 -0.22 1.03 -2.23 0.00 0.00 178.31 177.34 1nwd h SER 17 N -0.28 -0.72 -0.01 0.41 0.87 -0.75 0.08 113.55 113.16 1nwd h SER 17 Ca 0.01 0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1nwd h SER 17 Cb 0.53 0.37 -0.01 0.00 -0.44 0.00 0.00 62.40 62.85 1nwd h SER 17 CO 0.01 -0.25 -0.16 -0.07 -0.53 0.00 0.00 176.83 175.83 1nwd h LEU 18 N -0.18 0.32 0.21 2.23 4.07 -1.67 -2.95 115.31 117.35 1nwd h LEU 18 Ca 0.17 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1nwd h LEU 18 Cb 0.44 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1nwd h LEU 18 CO -0.44 0.51 -0.10 -0.26 -1.08 0.00 0.00 178.44 177.07 1nwd h PHE 19 N 0.31 -0.26 -0.50 1.13 -1.00 -1.59 -3.36 116.94 111.67 1nwd h PHE 19 Ca 0.06 -0.01 -0.72 0.00 2.81 0.00 0.00 57.97 60.11 1nwd h PHE 19 Cb 0.48 0.09 -0.08 0.00 3.61 0.00 0.00 35.95 40.05 1nwd h PHE 19 CO 0.01 0.13 2.81 -3.47 -1.61 0.00 0.00 178.31 176.18 1nwd n ASP 20 N -5.00 4.86 -0.31 2.17 2.03 -0.03 -4.74 116.55 115.54 1nwd n ASP 20 Ca -0.08 -2.92 0.04 0.00 0.52 0.00 0.00 54.79 52.34 1nwd n ASP 20 Cb 0.26 -1.58 0.18 0.00 -0.72 0.00 0.00 41.12 39.27 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 5.77 0.81 -0.43 -0.67 6.56 -1.70 -3.15 116.57 123.76 1nwd h LYS 21 Ca 0.54 -0.05 0.09 0.00 -1.06 0.00 0.00 60.65 60.17 1nwd h LYS 21 Cb 0.59 -0.18 -0.09 0.00 -0.57 0.00 0.00 32.23 31.98 1nwd h LYS 21 CO 1.78 0.53 -0.17 -0.44 -2.06 0.00 0.00 179.45 179.10 1nwd h ASP 22 N 0.83 -0.58 0.00 0.86 5.19 -1.89 -3.47 116.42 117.36 1nwd h ASP 22 Ca 0.42 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.98 1nwd h ASP 22 Cb 0.39 0.33 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1nwd h ASP 22 CO -0.25 -0.20 0.00 0.61 -3.12 0.00 0.00 179.24 176.28 1nwd n GLY 23 N -1.36 3.18 0.33 2.75 0.00 -1.19 -4.95 105.19 103.94 1nwd n GLY 23 Ca 0.03 -0.96 0.20 0.00 0.00 0.00 0.00 46.02 45.29 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 0.51 0.34 0.00 1.61 3.04 -1.92 -3.46 116.42 116.54 1nwd h ASP 24 Ca 0.00 0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.98 1nwd h ASP 24 Cb 0.00 0.18 0.00 0.00 -1.04 0.00 0.00 39.33 38.47 1nwd h ASP 24 CO 0.00 -0.14 0.00 0.61 -2.04 0.00 0.00 179.24 177.67 1nwd n GLY 25 N -1.32 0.74 3.32 7.15 0.00 -1.26 -5.01 105.19 108.80 1nwd n GLY 25 Ca 0.28 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.89 0.02 -0.52 2.61 -4.23 -1.26 -4.29 115.64 107.09 1nwd s THR 26 Ca 0.00 -0.15 0.04 0.00 -1.18 0.00 0.00 61.69 60.39 1nwd s THR 26 Cb 0.00 -0.65 0.16 0.00 1.34 0.00 0.00 72.50 73.35 1nwd s THR 26 CO 0.00 -0.08 0.36 -0.63 -0.54 0.00 0.00 174.62 173.73 1nwd s ILE 27 N -0.41 1.50 0.87 2.99 1.01 -0.26 -4.76 121.20 122.14 1nwd s ILE 27 Ca -0.05 -3.15 -0.10 0.00 0.00 0.00 0.00 60.65 57.35 1nwd s ILE 27 Cb -0.03 -2.01 0.18 0.00 0.01 0.00 0.00 42.46 40.60 1nwd s ILE 27 CO 0.03 -1.06 1.20 0.28 0.00 0.00 0.00 174.94 175.39 1nwd s THR 28 N -0.35 2.03 0.09 2.92 -1.32 -1.26 -3.12 115.64 114.63 1nwd s THR 28 Ca 0.26 -0.26 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 1nwd s THR 28 Cb -0.08 -2.78 -0.15 0.00 -1.51 0.00 0.00 72.50 67.99 1nwd s THR 28 CO -0.13 0.00 1.64 0.71 -2.21 0.00 0.00 174.62 174.63 1nwd h THR 29 N -1.21 0.40 -0.45 5.08 1.35 -1.92 -2.12 112.91 114.03 1nwd h THR 29 Ca -0.40 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.55 1nwd h THR 29 Cb 1.24 0.40 -0.10 0.00 -1.73 0.00 0.00 68.15 67.96 1nwd h THR 29 CO 0.37 0.00 -0.27 0.11 -0.25 0.00 0.00 175.52 175.48 1nwd h LYS 30 N -0.68 -0.17 -0.12 4.72 1.57 -1.97 -0.53 116.57 119.40 1nwd h LYS 30 Ca -0.04 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1nwd h LYS 30 Cb 0.58 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1nwd h LYS 30 CO 0.01 -0.11 0.04 1.49 -0.57 0.00 0.00 179.45 180.30 1nwd h GLU 31 N -0.18 0.10 -0.22 3.15 4.81 -1.92 -1.26 114.58 119.05 1nwd h GLU 31 Ca 0.20 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1nwd h GLU 31 Cb 0.51 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 1nwd h GLU 31 CO -0.56 0.06 -0.11 1.25 -0.73 0.00 0.00 179.01 178.92 1nwd h LEU 32 N 0.10 -0.38 -0.64 1.64 7.12 -1.07 -1.52 115.31 120.56 1nwd h LEU 32 Ca 0.05 0.09 0.12 0.00 0.13 0.00 0.00 57.88 58.27 1nwd h LEU 32 Cb 0.03 0.21 -0.12 0.00 -0.53 0.00 0.00 40.66 40.24 1nwd h LEU 32 CO -0.05 -0.15 -0.27 1.23 -0.13 0.00 0.00 178.44 179.07 1nwd h GLY 33 N -0.09 0.15 0.85 3.75 0.00 -0.75 -1.95 103.07 105.03 1nwd h GLY 33 Ca 0.12 0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.83 1nwd h GLY 33 CO -0.28 -0.23 0.29 -0.84 0.00 0.00 0.00 176.54 175.47 1nwd h THR 34 N -0.10 1.03 -0.08 4.70 2.02 -0.66 -0.55 112.91 119.28 1nwd h THR 34 Ca 0.28 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.30 1nwd h THR 34 Cb 0.54 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 1nwd h THR 34 CO -0.70 0.10 -0.26 0.58 0.37 0.00 0.00 175.52 175.62 1nwd h VAL 35 N 0.57 0.40 -0.38 3.16 2.07 -0.53 -1.44 116.25 120.09 1nwd h VAL 35 Ca 0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 1nwd h VAL 35 Cb 0.04 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1nwd h VAL 35 CO -0.10 0.00 0.18 0.24 0.02 0.00 0.00 177.57 177.91 1nwd h MET 36 N -0.36 0.55 0.17 1.57 2.86 -1.33 -3.20 114.93 115.19 1nwd h MET 36 Ca 0.09 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1nwd h MET 36 Cb 0.48 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1nwd h MET 36 CO -0.28 0.49 -0.10 -0.09 1.06 0.00 0.00 176.91 177.99 1nwd h ARG 37 N 0.47 -0.25 -0.83 1.72 1.12 0.03 0.63 114.38 117.27 1nwd h ARG 37 Ca 0.13 0.02 0.21 0.00 -1.11 0.00 0.00 59.98 59.22 1nwd h ARG 37 Cb 0.13 0.06 -0.13 0.00 -0.01 0.00 0.00 29.97 30.01 1nwd h ARG 37 CO -0.02 -0.16 0.22 1.03 -3.11 0.00 0.00 179.97 177.93 1nwd h SER 38 N -0.25 0.01 0.15 -3.80 0.87 -1.35 -3.07 113.55 106.11 1nwd h SER 38 Ca -0.02 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1nwd h SER 38 Cb 0.21 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1nwd h SER 38 CO 0.02 -0.11 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.08 1nwd h LEU 39 N 0.24 -0.17 0.00 2.23 3.38 -1.47 -3.49 115.31 116.04 1nwd h LEU 39 Ca 0.50 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1nwd h LEU 39 Cb 0.96 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1nwd h LEU 39 CO -0.60 0.09 0.00 0.61 0.09 0.00 0.00 178.44 178.62 1nwd n GLY 40 N 1.02 -1.03 3.25 0.83 0.00 0.07 -5.13 105.19 104.21 1nwd n GLY 40 Ca -0.02 0.33 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 0.38 -0.60 1.61 -0.21 -0.34 -4.98 119.66 115.52 1nwd s GLN 41 Ca 0.00 0.73 -0.04 0.00 0.02 0.00 0.00 55.36 56.07 1nwd s GLN 41 Cb 0.00 0.00 0.16 0.00 1.00 0.00 0.00 33.01 34.17 1nwd s GLN 41 CO 0.00 -0.14 0.42 1.21 -2.12 0.00 0.00 175.29 174.66 1nwd s ASN 42 N 1.22 5.38 0.57 5.90 2.47 -1.26 -1.48 114.94 127.73 1nwd s ASN 42 Ca -0.08 -2.67 -0.16 0.00 0.42 0.00 0.00 52.86 50.38 1nwd s ASN 42 Cb -0.08 -1.89 -0.05 0.00 -1.45 0.00 0.00 41.25 37.78 1nwd s ASN 42 CO -0.11 -0.43 1.03 -2.16 -3.72 0.00 0.00 177.10 171.71 1nwd s PRO 43 N 0.21 3.58 0.32 0.43 0.04 -1.26 -5.06 135.00 133.26 1nwd s PRO 43 Ca 0.15 1.07 -0.19 0.00 0.04 0.00 0.00 61.00 62.07 1nwd s PRO 43 Cb -0.20 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 1nwd s PRO 43 CO -0.04 -0.58 0.81 0.99 0.04 0.00 0.00 177.00 178.21 1nwd s THR 44 N -2.59 4.52 0.10 1.26 2.01 -1.26 -4.96 115.64 114.73 1nwd s THR 44 Ca 0.61 1.27 -0.13 0.00 0.31 0.00 0.00 61.69 63.75 1nwd s THR 44 Cb -0.13 -3.73 -0.15 0.00 0.01 0.00 0.00 72.50 68.50 1nwd s THR 44 CO 0.36 -0.06 1.32 -0.33 -0.69 0.00 0.00 174.62 175.22 1nwd h GLU 45 N 2.63 0.81 -0.43 4.92 3.07 -1.97 -1.74 114.58 121.86 1nwd h GLU 45 Ca -0.48 -0.63 0.08 0.00 -0.50 0.00 0.00 59.36 57.83 1nwd h GLU 45 Cb 1.18 0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 29.14 1nwd h GLU 45 CO 0.64 1.25 -0.04 0.00 -1.40 0.00 0.00 179.01 179.46 1nwd h ALA 46 N 0.57 0.36 0.53 3.43 0.00 -2.02 -2.52 119.26 119.61 1nwd h ALA 46 Ca -0.04 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1nwd h ALA 46 Cb 1.36 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1nwd h ALA 46 CO 0.15 -0.41 -0.28 0.93 0.00 0.00 0.00 179.25 179.64 1nwd h GLU 47 N 0.07 -0.72 -0.92 0.00 4.39 -1.97 -3.28 114.58 112.16 1nwd h GLU 47 Ca 0.21 0.05 0.25 0.00 0.34 0.00 0.00 59.36 60.21 1nwd h GLU 47 Cb 0.32 0.16 -0.14 0.00 -0.10 0.00 0.00 28.75 28.99 1nwd h GLU 47 CO -0.39 -0.48 0.37 -0.07 -1.16 0.00 0.00 179.01 177.28 1nwd h LEU 48 N -0.75 0.24 0.32 1.33 3.38 -0.97 -1.89 115.31 116.98 1nwd h LEU 48 Ca -0.07 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1nwd h LEU 48 Cb 0.59 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1nwd h LEU 48 CO 0.09 -0.09 -0.44 -0.61 0.09 0.00 0.00 178.44 177.48 1nwd h GLN 49 N 0.31 -0.78 0.24 1.13 4.15 -1.52 -3.01 115.11 115.62 1nwd h GLN 49 Ca 0.60 0.05 0.00 0.00 0.77 0.00 0.00 58.65 60.07 1nwd h GLN 49 Cb 1.23 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 29.08 1nwd h GLN 49 CO -0.60 -0.52 -0.21 -0.44 -1.93 0.00 0.00 178.83 175.13 1nwd h ASP 50 N -0.81 -0.55 -0.99 -0.69 3.32 -1.51 -1.78 116.42 113.41 1nwd h ASP 50 Ca -0.02 0.05 0.17 0.00 0.02 0.00 0.00 57.03 57.25 1nwd h ASP 50 Cb 0.75 0.18 -0.17 0.00 0.22 0.00 0.00 39.33 40.31 1nwd h ASP 50 CO -0.13 -0.31 -0.32 0.23 -1.72 0.00 0.00 179.24 176.99 1nwd n MET 51 N -5.33 -0.16 -0.05 3.56 2.81 -0.78 -1.97 117.12 115.20 1nwd n MET 51 Ca -0.08 1.53 -0.19 0.00 -1.81 0.00 0.00 57.70 57.15 1nwd n MET 51 Cb 0.24 -2.28 -0.13 0.00 -0.71 0.00 0.00 33.22 30.34 1nwd n MET 51 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1nwd h ILE 52 N 0.00 1.31 -0.63 2.02 1.08 -1.56 -3.39 117.51 116.35 1nwd h ILE 52 Ca 0.41 -2.33 0.14 0.00 -0.39 0.00 0.00 64.86 62.69 1nwd h ILE 52 Cb 0.66 2.85 -0.04 0.00 -3.07 0.00 0.00 36.82 37.22 1nwd h ILE 52 CO -1.00 0.55 0.43 -1.13 -0.69 0.00 0.00 178.15 176.31 1nwd h ASN 53 N -0.77 0.23 0.00 1.72 -1.24 -0.89 -2.26 115.58 112.36 1nwd h ASN 53 Ca -0.20 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.83 1nwd h ASN 53 Cb 1.34 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.35 1nwd h ASN 53 CO -0.04 0.12 0.05 -0.62 -1.29 0.00 0.00 177.43 175.66 1nwd n GLU 54 N -4.44 0.05 -0.01 6.67 -0.58 -0.83 -1.64 120.64 119.87 1nwd n GLU 54 Ca 0.12 0.53 0.02 0.00 -0.42 0.00 0.00 57.16 57.40 1nwd n GLU 54 Cb 0.53 -1.73 -0.04 0.00 -0.57 0.00 0.00 31.44 29.63 1nwd n GLU 54 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1nwd n VAL 55 N -1.78 0.04 -1.85 2.62 0.31 -0.86 -3.82 118.33 113.00 1nwd n VAL 55 Ca -0.01 -0.12 -0.43 0.00 -0.01 0.00 0.00 64.34 63.78 1nwd n VAL 55 Cb 0.07 0.21 -0.03 0.00 -0.91 0.00 0.00 33.84 33.18 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 -2.70 6.14 0.07 4.52 -1.08 -0.65 -3.20 116.67 119.77 1nwd s ASP 56 Ca -0.02 1.99 -0.35 0.00 -0.52 0.00 0.00 52.55 53.66 1nwd s ASP 56 Cb 0.03 -2.53 -0.20 0.00 -1.46 0.00 0.00 42.92 38.77 1nwd s ASP 56 CO 0.20 -1.39 1.60 0.00 0.52 0.00 0.00 175.17 176.10 1nwd h ALA 57 N 11.88 -1.10 -0.05 3.66 0.00 -1.85 -3.30 119.26 128.50 1nwd h ALA 57 Ca -0.40 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.10 1nwd h ALA 57 Cb 1.20 0.43 0.01 0.00 0.00 0.00 0.00 17.79 19.43 1nwd h ALA 57 CO 0.97 -1.12 -0.62 0.38 0.00 0.00 0.00 179.25 178.87 1nwd h ASP 58 N -1.10 0.62 -3.64 0.00 3.04 -1.94 -3.45 116.42 109.95 1nwd h ASP 58 Ca -0.11 -0.71 -0.09 0.00 -3.24 0.00 0.00 57.03 52.88 1nwd h ASP 58 Cb 0.84 -0.19 0.06 0.00 -1.04 0.00 0.00 39.33 39.01 1nwd h ASP 58 CO 0.18 1.24 -0.28 0.61 -2.04 0.00 0.00 179.24 178.96 1nwd n GLY 59 N 0.91 0.21 0.07 7.15 0.00 -1.24 -5.02 105.19 107.27 1nwd n GLY 59 Ca -0.09 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 1nwd n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1nwd h ASN 60 N -0.44 0.00 0.00 1.61 -1.07 -1.95 -3.50 115.58 110.23 1nwd h ASN 60 Ca -0.20 -0.41 0.00 0.00 0.07 0.00 0.00 56.30 55.76 1nwd h ASN 60 Cb 1.11 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.36 1nwd h ASN 60 CO 0.15 0.95 0.00 0.61 0.07 0.00 0.00 177.43 179.21 1nwd n GLY 61 N 1.61 1.05 2.65 9.14 0.00 -1.26 -5.14 105.19 113.24 1nwd n GLY 61 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.05 -0.03 -0.84 2.61 -4.23 -1.26 -4.51 115.64 106.33 1nwd s THR 62 Ca 0.00 0.05 -0.20 0.00 -1.18 0.00 0.00 61.69 60.36 1nwd s THR 62 Cb 0.00 -0.44 0.11 0.00 1.34 0.00 0.00 72.50 73.51 1nwd s THR 62 CO 0.00 -0.08 1.07 -0.63 -0.54 0.00 0.00 174.62 174.45 1nwd s ILE 63 N 2.12 4.59 0.35 2.99 -1.09 -1.18 -4.84 121.20 124.14 1nwd s ILE 63 Ca 0.03 -1.18 -0.06 0.00 -2.23 0.00 0.00 60.65 57.21 1nwd s ILE 63 Cb -0.14 -4.75 0.09 0.00 -1.58 0.00 0.00 42.46 36.07 1nwd s ILE 63 CO -0.07 -1.49 0.31 0.47 -1.23 0.00 0.00 174.94 172.93 1nwd n ASP 64 N 6.96 -1.34 0.31 3.58 9.92 -1.26 -1.11 116.55 133.61 1nwd n ASP 64 Ca 0.15 -0.68 -0.17 0.00 -0.53 0.00 0.00 54.79 53.56 1nwd n ASP 64 Cb 0.48 -0.29 -0.08 0.00 -0.64 0.00 0.00 41.12 40.59 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 -1.86 -0.80 -0.78 1.24 3.04 -1.95 -1.24 116.94 114.58 1nwd h PHE 65 Ca -0.12 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 61.92 1nwd h PHE 65 Cb 0.36 0.28 -0.08 0.00 2.56 0.00 0.00 35.95 39.07 1nwd h PHE 65 CO 0.00 -0.48 0.41 -1.35 -2.02 0.00 0.00 178.31 174.88 1nwd h PRO 66 N -0.79 0.66 -0.55 6.41 0.11 -1.97 -1.97 132.00 133.90 1nwd h PRO 66 Ca -0.07 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 1nwd h PRO 66 Cb 0.63 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 1nwd h PRO 66 CO 0.08 0.43 0.10 0.93 -0.21 0.00 0.00 178.00 179.34 1nwd h GLU 67 N 0.68 0.90 -0.20 1.05 4.39 -1.86 -1.36 114.58 118.17 1nwd h GLU 67 Ca 0.39 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 1nwd h GLU 67 Cb 0.41 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1nwd h GLU 67 CO -0.28 0.86 -0.22 0.35 -1.16 0.00 0.00 179.01 178.56 1nwd h PHE 68 N 0.79 0.61 -0.78 4.33 3.57 -1.03 -1.61 116.94 122.81 1nwd h PHE 68 Ca 0.17 -0.19 0.13 0.00 3.53 0.00 0.00 57.97 61.61 1nwd h PHE 68 Cb 0.39 -0.12 -0.09 0.00 2.79 0.00 0.00 35.95 38.91 1nwd h PHE 68 CO 0.03 0.87 0.36 -0.07 -2.23 0.00 0.00 178.31 177.27 1nwd h LEU 69 N 0.17 0.41 0.36 0.59 3.38 -1.29 -0.37 115.31 118.56 1nwd h LEU 69 Ca 0.03 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1nwd h LEU 69 Cb 0.78 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1nwd h LEU 69 CO 0.05 0.18 -0.25 0.74 0.09 0.00 0.00 178.44 179.26 1nwd h THR 70 N 0.55 0.47 -0.45 0.22 2.02 -1.17 -1.51 112.91 113.03 1nwd h THR 70 Ca 0.42 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.68 1nwd h THR 70 Cb 0.58 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 67.39 1nwd h THR 70 CO -0.36 0.00 0.06 -0.03 0.37 0.00 0.00 175.52 175.56 1nwd h MET 71 N -0.60 0.18 0.25 6.66 -1.53 -0.39 0.12 114.93 119.61 1nwd h MET 71 Ca -0.03 -0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.20 1nwd h MET 71 Cb 0.51 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.52 1nwd h MET 71 CO 0.02 0.12 -0.12 0.52 0.14 0.00 0.00 176.91 177.59 1nwd h MET 72 N 0.19 -0.32 0.08 0.39 2.07 -1.13 -3.35 114.93 112.85 1nwd h MET 72 Ca 0.23 0.02 -0.00 0.00 -2.07 0.00 0.00 59.70 57.87 1nwd h MET 72 Cb 0.31 0.07 0.00 0.00 -1.87 0.00 0.00 31.60 30.11 1nwd h MET 72 CO -0.32 -0.09 -0.04 0.00 1.07 0.00 0.00 176.91 177.53 1nwd h ALA 73 N -0.87 -0.17 0.04 6.32 0.00 -1.30 -3.44 119.26 119.85 1nwd h ALA 73 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nwd h ALA 73 Cb 0.38 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1nwd h ALA 73 CO 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 179.25 179.13 1nwd h ARG 74 N -0.56 -0.05 0.00 0.00 -0.00 -1.38 -3.48 114.38 108.92 1nwd h ARG 74 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1nwd h ARG 74 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.06 1nwd h ARG 74 CO 0.02 -0.03 0.00 1.17 0.00 0.00 0.00 179.97 181.13 1nwd n LYS 75 N -2.65 0.00 0.00 0.04 4.81 0.32 -4.24 118.16 116.44 1nwd n LYS 75 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1nwd n LYS 75 Cb 0.02 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.07 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 -1.26 0.00 -1.88 1.64 1.56 -1.26 -4.49 117.12 111.43 1nwd n MET 76 Ca 0.00 0.00 -0.32 0.00 -0.27 0.00 0.00 57.70 57.11 1nwd n MET 76 Cb 0.00 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.33 1nwd n MET 76 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 1nwd s LYS 77 N -5.80 2.36 0.20 2.12 -2.85 -1.19 -4.77 119.74 109.79 1nwd s LYS 77 Ca 0.00 0.52 -0.23 0.00 -1.00 0.00 0.00 55.97 55.26 1nwd s LYS 77 Cb 0.00 -4.66 0.05 0.00 -2.06 0.00 0.00 37.83 31.17 1nwd s LYS 77 CO 0.00 -3.25 0.91 0.34 0.10 0.00 0.00 175.35 173.45 1nwd s ASP 78 N 9.32 -0.16 -0.04 0.03 2.15 -1.26 -4.88 116.67 121.82 1nwd s ASP 78 Ca 0.78 -0.52 -0.03 0.00 0.43 0.00 0.00 52.55 53.20 1nwd s ASP 78 Cb -0.12 0.56 -0.02 0.00 -0.30 0.00 0.00 42.92 43.05 1nwd s ASP 78 CO 0.14 -1.06 0.21 0.71 -0.17 0.00 0.00 175.17 175.00 1nwd h THR 79 N 2.00 0.00 -0.78 1.71 1.35 -1.97 -3.38 112.91 111.84 1nwd h THR 79 Ca -0.24 -0.46 -0.67 0.00 -0.55 0.00 0.00 66.41 64.49 1nwd h THR 79 Cb 1.23 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.57 1nwd h THR 79 CO 0.27 0.00 2.45 0.47 -0.25 0.00 0.00 175.52 178.46 1nwd n ASP 80 N -3.59 7.95 0.31 5.36 8.00 -1.26 -4.78 116.55 128.53 1nwd n ASP 80 Ca -0.01 -2.96 0.20 0.00 0.71 0.00 0.00 54.79 52.72 1nwd n ASP 80 Cb 0.05 -1.40 0.93 0.00 -0.02 0.00 0.00 41.12 40.67 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 4.46 0.00 -0.18 -2.24 0.02 -1.86 -3.10 113.55 110.65 1nwd h SER 81 Ca 0.69 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.63 1nwd h SER 81 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1nwd h SER 81 CO 1.43 0.00 0.06 1.05 -1.14 0.00 0.00 176.83 178.24 1nwd h GLU 82 N 0.00 0.28 -0.49 3.45 4.11 -1.82 -2.98 114.58 117.12 1nwd h GLU 82 Ca -0.00 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 59.31 1nwd h GLU 82 Cb 0.28 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1nwd h GLU 82 CO 0.00 0.38 0.05 1.49 0.07 0.00 0.00 179.01 181.00 1nwd h GLU 83 N 0.12 0.79 -0.80 1.06 4.57 -1.89 -3.18 114.58 115.25 1nwd h GLU 83 Ca 0.06 -0.19 0.08 0.00 -1.18 0.00 0.00 59.36 58.12 1nwd h GLU 83 Cb 0.22 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 1nwd h GLU 83 CO -0.00 0.77 0.52 0.93 -1.18 0.00 0.00 179.01 180.05 1nwd h GLU 84 N 0.75 0.80 -0.33 1.92 4.39 -1.57 -0.29 114.58 120.26 1nwd h GLU 84 Ca 0.15 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 1nwd h GLU 84 Cb 0.39 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1nwd h GLU 84 CO 0.01 0.53 -0.05 0.82 -1.16 0.00 0.00 179.01 179.16 1nwd h ILE 85 N 0.82 1.27 -0.30 3.13 1.08 -1.52 -1.08 117.51 120.91 1nwd h ILE 85 Ca 0.35 -1.07 0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1nwd h ILE 85 Cb 0.31 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 1nwd h ILE 85 CO -0.13 0.35 0.20 0.03 -0.69 0.00 0.00 178.15 177.90 1nwd h ARG 86 N 0.40 0.37 0.11 2.37 3.08 -1.26 0.14 114.38 119.59 1nwd h ARG 86 Ca 0.09 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1nwd h ARG 86 Cb 0.53 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1nwd h ARG 86 CO 0.03 0.25 -0.05 0.93 -1.07 0.00 0.00 179.97 180.05 1nwd h GLU 87 N 0.39 -0.14 -0.48 0.04 4.39 -0.99 -2.80 114.58 114.98 1nwd h GLU 87 Ca 0.11 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.84 1nwd h GLU 87 Cb -0.02 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1nwd h GLU 87 CO -0.02 0.34 0.32 0.00 -1.16 0.00 0.00 179.01 178.48 1nwd h ALA 88 N -0.02 1.75 -0.29 3.43 0.00 -1.02 -0.60 119.26 122.50 1nwd h ALA 88 Ca -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nwd h ALA 88 Cb 0.55 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1nwd h ALA 88 CO 0.03 0.21 0.14 0.74 0.00 0.00 0.00 179.25 180.36 1nwd h PHE 89 N 0.57 0.25 -0.82 0.00 0.04 -1.06 -0.44 116.94 115.48 1nwd h PHE 89 Ca 0.19 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.95 1nwd h PHE 89 Cb 0.05 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.09 1nwd h PHE 89 CO -0.00 0.14 0.42 0.00 -0.60 0.00 0.00 178.31 178.27 1nwd h ARG 90 N 0.29 1.16 0.58 1.51 2.47 -0.88 -1.06 114.38 118.45 1nwd h ARG 90 Ca 0.12 -0.15 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 1nwd h ARG 90 Cb 0.05 -0.22 0.01 0.00 -1.65 0.00 0.00 29.97 28.16 1nwd h ARG 90 CO -0.09 0.87 -0.28 0.28 0.56 0.00 0.00 179.97 181.30 1nwd h VAL 91 N 1.15 0.00 0.00 2.04 2.07 -1.11 -3.41 116.25 117.00 1nwd h VAL 91 Ca 0.29 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1nwd h VAL 91 Cb 0.07 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1nwd h VAL 91 CO -0.04 0.00 0.00 0.33 0.02 0.00 0.00 177.57 177.88 1nwd n PHE 92 N -5.11 0.00 -2.23 1.57 7.35 -0.19 -4.79 117.46 114.06 1nwd n PHE 92 Ca -0.10 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.27 1nwd n PHE 92 Cb 0.31 -0.43 -0.02 0.00 0.35 0.00 0.00 39.48 39.69 1nwd n PHE 92 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1nwd s ASP 93 N -2.20 6.37 0.28 -2.13 2.15 -0.40 -4.94 116.67 115.79 1nwd s ASP 93 Ca 0.00 1.60 0.25 0.00 0.43 0.00 0.00 52.55 54.82 1nwd s ASP 93 Cb 0.00 -2.51 0.53 0.00 -0.30 0.00 0.00 42.92 40.65 1nwd s ASP 93 CO 0.00 -0.77 1.62 0.11 -0.17 0.00 0.00 175.17 175.96 1nwd h LYS 94 N 0.60 0.00 -0.97 4.34 1.79 -1.81 -3.38 116.57 117.14 1nwd h LYS 94 Ca -0.46 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 57.65 1nwd h LYS 94 Cb 1.19 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.44 1nwd h LYS 94 CO 0.61 0.00 -1.19 -0.40 -1.08 0.00 0.00 179.45 177.39 1nwd n ASP 95 N -2.58 1.49 0.00 0.86 5.75 -1.26 -4.97 116.55 115.84 1nwd n ASP 95 Ca 0.04 -2.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.15 1nwd n ASP 95 Cb 0.48 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 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 -0.10 0.10 3.96 6.12 0.00 -1.26 -3.86 105.19 110.14 1nwd n GLY 96 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.74 -1.76 0.00 1.61 5.15 -1.26 -4.70 115.26 113.56 1nwd n ASN 97 Ca 0.00 -0.94 0.00 0.00 -0.60 0.00 0.00 54.58 53.04 1nwd n ASN 97 Cb 0.37 -3.30 0.00 0.00 -0.53 0.00 0.00 39.78 36.32 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 -1.75 -0.37 3.22 8.20 0.00 -1.25 -4.69 105.19 108.55 1nwd n GLY 98 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.90 3.59 -0.58 1.61 2.02 -1.25 -3.45 117.35 118.39 1nwd s TYR 99 Ca 0.00 -2.33 -0.19 0.00 -0.37 0.00 0.00 57.07 54.18 1nwd s TYR 99 Cb 0.00 -3.53 0.10 0.00 -0.40 0.00 0.00 41.96 38.13 1nwd s TYR 99 CO 0.00 -0.92 0.69 0.42 -1.57 0.00 0.00 175.55 174.18 1nwd s ILE 100 N 0.06 4.83 0.84 2.71 1.01 -0.49 -4.82 121.20 125.34 1nwd s ILE 100 Ca 0.17 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 1nwd s ILE 100 Cb -0.15 -4.47 0.10 0.00 0.01 0.00 0.00 42.46 37.95 1nwd s ILE 100 CO -0.06 -1.09 1.09 -0.94 0.00 0.00 0.00 174.94 173.94 1nwd s SER 101 N 3.52 3.98 0.25 3.58 1.04 -1.26 -1.64 113.70 123.17 1nwd s SER 101 Ca 0.12 1.50 -0.03 0.00 0.48 0.00 0.00 55.95 58.02 1nwd s SER 101 Cb -0.24 -2.21 0.43 0.00 0.10 0.00 0.00 66.02 64.10 1nwd s SER 101 CO 0.07 -2.32 1.82 0.00 0.98 0.00 0.00 173.24 173.79 1nwd h ALA 102 N -1.33 1.26 -0.21 5.32 0.00 -1.91 -2.08 119.26 120.31 1nwd h ALA 102 Ca -0.48 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.47 1nwd h ALA 102 Cb 1.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1nwd h ALA 102 CO 0.55 0.16 0.09 0.00 0.00 0.00 0.00 179.25 180.05 1nwd h ALA 103 N 1.47 0.25 -0.46 0.00 0.00 -1.93 -1.11 119.26 117.48 1nwd h ALA 103 Ca 0.42 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.35 1nwd h ALA 103 Cb 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1nwd h ALA 103 CO -0.24 -0.33 0.30 0.93 0.00 0.00 0.00 179.25 179.91 1nwd h GLU 104 N 0.20 0.59 -0.46 0.00 5.08 -1.85 -0.83 114.58 117.31 1nwd h GLU 104 Ca 0.09 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1nwd h GLU 104 Cb 0.04 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1nwd h GLU 104 CO -0.08 0.39 0.21 -0.07 -1.00 0.00 0.00 179.01 178.47 1nwd h LEU 105 N 0.61 0.62 -0.63 1.33 3.38 -1.30 -3.14 115.31 116.17 1nwd h LEU 105 Ca 0.17 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1nwd h LEU 105 Cb -0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1nwd h LEU 105 CO -0.04 0.58 0.25 -0.09 0.09 0.00 0.00 178.44 179.23 1nwd h ARG 106 N 0.61 0.95 -0.15 1.13 2.43 -0.97 -2.96 114.38 115.42 1nwd h ARG 106 Ca 0.16 -0.18 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1nwd h ARG 106 Cb 0.14 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 1nwd h ARG 106 CO -0.02 0.80 -0.18 1.25 -1.51 0.00 0.00 179.97 180.32 1nwd h HIS 107 N 0.89 -0.46 -0.34 2.20 2.76 -1.11 -0.73 115.15 118.37 1nwd h HIS 107 Ca 0.21 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.27 1nwd h HIS 107 Cb 0.21 0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1nwd h HIS 107 CO 0.01 -0.25 -0.33 -0.24 -1.30 0.00 0.00 177.93 175.82 1nwd h VAL 108 N -0.21 1.28 0.06 5.26 3.04 -1.59 -0.25 116.25 123.84 1nwd h VAL 108 Ca 0.10 -1.48 0.02 0.00 -1.01 0.00 0.00 66.70 64.33 1nwd h VAL 108 Cb 0.37 1.37 -0.02 0.00 -2.01 0.00 0.00 31.29 31.00 1nwd h VAL 108 CO -0.27 0.48 -0.15 0.24 -1.01 0.00 0.00 177.57 176.86 1nwd h MET 109 N 0.63 -0.28 -0.60 4.17 2.07 -1.32 -2.96 114.93 116.64 1nwd h MET 109 Ca 0.07 0.02 0.01 0.00 -2.07 0.00 0.00 59.70 57.73 1nwd h MET 109 Cb 0.86 0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 30.62 1nwd h MET 109 CO 0.07 -0.18 0.39 1.15 1.07 0.00 0.00 176.91 179.41 1nwd h THR 110 N -0.29 1.13 -0.86 2.22 2.02 -1.06 -3.17 112.91 112.90 1nwd h THR 110 Ca 0.03 -0.27 0.15 0.00 0.77 0.00 0.00 66.41 67.09 1nwd h THR 110 Cb 0.32 0.27 -0.09 0.00 -1.74 0.00 0.00 68.15 66.91 1nwd h THR 110 CO -0.10 0.14 0.45 -1.13 0.37 0.00 0.00 175.52 175.25 1nwd h ASN 111 N 0.78 0.55 0.11 4.18 -1.24 -0.88 -2.00 115.58 117.09 1nwd h ASN 111 Ca 0.23 0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.32 1nwd h ASN 111 Cb -0.05 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 38.99 1nwd h ASN 111 CO -0.07 0.23 -0.08 0.25 -1.29 0.00 0.00 177.43 176.47 1nwd h LEU 112 N 0.64 -0.22 0.00 0.34 6.46 -1.51 -3.49 115.31 117.54 1nwd h LEU 112 Ca 0.47 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.24 1nwd h LEU 112 Cb 0.66 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 1nwd h LEU 112 CO -0.36 -0.12 0.00 0.61 -0.62 0.00 0.00 178.44 177.95 1nwd n GLY 113 N -1.10 0.29 3.59 3.75 0.00 -0.75 -5.12 105.19 105.85 1nwd n GLY 113 Ca -0.02 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1nwd n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nwd s GLU 114 N 0.00 3.23 -0.48 1.61 0.41 -1.23 -4.87 118.70 117.36 1nwd s GLU 114 Ca 0.00 1.42 -0.17 0.00 -0.41 0.00 0.00 54.97 55.82 1nwd s GLU 114 Cb 0.00 -4.24 0.07 0.00 -1.78 0.00 0.00 34.13 28.18 1nwd s GLU 114 CO 0.00 -1.98 0.46 0.15 -0.49 0.00 0.00 175.26 173.40 1nwd s LYS 115 N 5.90 3.02 0.19 1.61 1.02 -1.26 -3.57 119.74 126.65 1nwd s LYS 115 Ca 0.81 -1.22 0.09 0.00 0.02 0.00 0.00 55.97 55.67 1nwd s LYS 115 Cb -0.23 -4.12 -0.04 0.00 -0.52 0.00 0.00 37.83 32.92 1nwd s LYS 115 CO 0.33 -1.09 -0.18 -0.51 -0.92 0.00 0.00 175.35 172.98 1nwd s LEU 116 N 1.92 2.49 -0.11 3.17 1.02 -1.26 -5.12 118.68 120.79 1nwd s LEU 116 Ca 0.07 -0.93 -0.30 0.00 0.02 0.00 0.00 54.13 53.00 1nwd s LEU 116 Cb -0.23 -0.84 -0.02 0.00 0.02 0.00 0.00 46.19 45.12 1nwd s LEU 116 CO 0.08 -0.05 1.22 -0.89 0.02 0.00 0.00 176.35 176.72 1nwd s THR 117 N -2.36 4.30 -2.00 5.49 2.01 -1.26 -4.93 115.64 116.89 1nwd s THR 117 Ca 0.20 1.60 0.12 0.00 0.31 0.00 0.00 61.69 63.91 1nwd s THR 117 Cb -0.04 -4.03 0.33 0.00 0.01 0.00 0.00 72.50 68.77 1nwd s THR 117 CO 0.08 -0.07 1.14 -0.90 -0.69 0.00 0.00 174.62 174.18 1nwd n ASP 118 N 5.86 0.00 -0.06 3.53 5.75 -1.26 -2.73 116.55 127.64 1nwd n ASP 118 Ca 0.12 -0.69 0.03 0.00 -0.01 0.00 0.00 54.79 54.24 1nwd n ASP 118 Cb 0.46 0.00 0.37 0.00 -1.03 0.00 0.00 41.12 40.92 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 0.66 -0.20 0.11 -0.00 -1.99 -1.14 114.58 112.02 1nwd h GLU 119 Ca 0.00 -0.04 -0.10 0.00 -0.00 0.00 0.00 59.36 59.21 1nwd h GLU 119 Cb 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 28.75 28.59 1nwd h GLU 119 CO 0.00 0.45 -0.32 0.93 -0.00 0.00 0.00 179.01 180.07 1nwd h GLU 120 N 0.68 0.42 0.21 1.06 5.08 -1.93 -2.81 114.58 117.30 1nwd h GLU 120 Ca 0.18 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1nwd h GLU 120 Cb -0.06 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1nwd h GLU 120 CO -0.04 0.70 -0.10 0.28 -1.00 0.00 0.00 179.01 178.85 1nwd h VAL 121 N 0.36 0.87 -0.81 3.13 2.07 -1.67 -3.30 116.25 116.89 1nwd h VAL 121 Ca 0.05 -0.76 0.18 0.00 0.82 0.00 0.00 66.70 66.99 1nwd h VAL 121 Cb 0.75 1.29 -0.11 0.00 -1.52 0.00 0.00 31.29 31.69 1nwd h VAL 121 CO 0.06 0.16 0.28 -0.78 0.02 0.00 0.00 177.57 177.31 1nwd h ASP 122 N -0.69 0.18 0.43 0.57 3.58 -1.16 -1.36 116.42 117.97 1nwd h ASP 122 Ca -0.03 0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 1nwd h ASP 122 Cb 0.48 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 1nwd h ASP 122 CO 0.05 -0.00 -0.45 -0.08 -2.88 0.00 0.00 179.24 175.88 1nwd h GLU 123 N 0.35 -0.85 0.00 0.28 4.22 -1.61 -1.83 114.58 115.14 1nwd h GLU 123 Ca 0.48 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.98 1nwd h GLU 123 Cb 0.85 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1nwd h GLU 123 CO -0.51 -0.57 0.00 0.00 -2.18 0.00 0.00 179.01 175.76 1nwd h MET 124 N -0.88 0.00 0.49 1.92 -0.00 -1.52 -0.84 114.93 114.10 1nwd h MET 124 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.62 1nwd h MET 124 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.37 1nwd h MET 124 CO -0.06 0.00 -0.24 0.82 -0.00 0.00 0.00 176.91 177.43 1nwd h ILE 125 N 0.00 0.43 0.00 -0.10 2.04 -1.22 -3.31 117.51 115.34 1nwd h ILE 125 Ca 0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1nwd h ILE 125 Cb 0.51 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1nwd h ILE 125 CO 0.00 0.05 0.00 0.54 0.00 0.00 0.00 178.15 178.74 1nwd n ARG 126 N -5.28 0.15 -0.31 2.37 1.74 -0.56 -1.73 116.66 113.04 1nwd n ARG 126 Ca -0.11 0.59 0.11 0.00 -0.77 0.00 0.00 57.85 57.67 1nwd n ARG 126 Cb 0.31 -1.94 0.34 0.00 -1.02 0.00 0.00 32.46 30.15 1nwd n ARG 126 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1nwd h GLU 127 N 0.00 0.75 -1.14 5.56 4.39 -1.28 -3.33 114.58 119.53 1nwd h GLU 127 Ca 0.00 -0.05 -0.40 0.00 0.34 0.00 0.00 59.36 59.25 1nwd h GLU 127 Cb 0.09 -0.17 -0.29 0.00 -0.10 0.00 0.00 28.75 28.29 1nwd h GLU 127 CO 0.00 0.50 -0.85 0.00 -1.16 0.00 0.00 179.01 177.50 1nwd n ALA 128 N -2.40 0.78 -3.42 3.43 0.00 -0.71 -5.05 120.51 113.15 1nwd n ALA 128 Ca 0.19 -2.55 -0.44 0.00 0.00 0.00 0.00 53.44 50.64 1nwd n ALA 128 Cb 0.46 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.55 6.58 0.12 0.00 -1.08 -1.00 -4.80 116.67 114.95 1nwd s ASP 129 Ca 0.33 -3.03 -0.20 0.00 -0.52 0.00 0.00 52.55 49.14 1nwd s ASP 129 Cb 0.23 -2.13 -0.06 0.00 -1.46 0.00 0.00 42.92 39.50 1nwd s ASP 129 CO -0.14 -0.44 1.77 0.40 0.52 0.00 0.00 175.17 177.28 1nwd h ILE 130 N 4.53 1.02 -0.50 4.11 2.04 -1.91 -2.07 117.51 124.73 1nwd h ILE 130 Ca 0.11 -0.08 0.12 0.00 1.00 0.00 0.00 64.86 66.01 1nwd h ILE 130 Cb 0.97 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1nwd h ILE 130 CO 0.81 0.04 0.35 0.44 0.00 0.00 0.00 178.15 179.80 1nwd h ASP 131 N 0.23 0.15 -3.39 1.72 5.19 -1.92 -3.47 116.42 114.93 1nwd h ASP 131 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1nwd h ASP 131 Cb -0.00 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1nwd h ASP 131 CO -0.04 0.09 -0.04 0.61 -3.12 0.00 0.00 179.24 176.75 1nwd n GLY 132 N -1.58 -0.60 0.00 2.75 0.00 -0.78 -5.05 105.19 99.93 1nwd n GLY 132 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.84 0.00 -2.70 1.61 5.68 -1.26 -5.05 116.55 113.98 1nwd n ASP 133 Ca 0.01 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.25 1nwd n ASP 133 Cb 0.32 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.39 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 1.61 3.40 6.12 0.00 -1.26 -4.95 105.19 110.10 1nwd n GLY 134 Ca 0.00 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.15 1.50 -0.25 1.61 -0.21 -1.26 -2.64 119.66 117.26 1nwd s GLN 135 Ca 0.21 -1.79 -0.01 0.00 0.02 0.00 0.00 55.36 53.78 1nwd s GLN 135 Cb 0.41 -0.81 0.08 0.00 1.00 0.00 0.00 33.01 33.69 1nwd s GLN 135 CO -0.06 -0.11 0.04 0.08 -2.12 0.00 0.00 175.29 173.12 1nwd s VAL 136 N -3.30 0.90 1.06 1.09 1.01 -0.65 -4.80 120.40 115.71 1nwd s VAL 136 Ca 0.32 -1.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 1nwd s VAL 136 Cb 0.06 -1.47 0.22 0.00 0.00 0.00 0.00 36.38 35.20 1nwd s VAL 136 CO 0.12 -0.38 1.13 0.21 0.00 0.00 0.00 175.10 176.18 1nwd s ASN 137 N 1.65 2.13 0.09 3.32 3.84 -1.26 -1.40 114.94 123.32 1nwd s ASN 137 Ca 0.03 0.82 -0.36 0.00 0.21 0.00 0.00 52.86 53.55 1nwd s ASN 137 Cb -0.18 -1.23 -0.17 0.00 -0.55 0.00 0.00 41.25 39.12 1nwd s ASN 137 CO -0.15 -3.39 1.57 1.88 -2.79 0.00 0.00 177.10 174.22 1nwd h TYR 138 N -2.08 -1.39 -0.86 0.43 0.05 -1.89 -1.58 116.97 109.65 1nwd h TYR 138 Ca -0.49 0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.39 1nwd h TYR 138 Cb 1.31 0.54 -0.06 0.00 1.01 0.00 0.00 36.73 39.53 1nwd h TYR 138 CO -0.83 -0.67 0.55 0.93 -1.05 0.00 0.00 178.16 177.10 1nwd h GLU 139 N -1.01 0.81 -0.27 4.88 4.39 -1.95 -2.56 114.58 118.88 1nwd h GLU 139 Ca -0.06 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1nwd h GLU 139 Cb 0.88 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1nwd h GLU 139 CO -0.06 0.54 0.14 0.93 -1.16 0.00 0.00 179.01 179.40 1nwd h GLU 140 N 0.84 0.39 -0.23 2.33 5.08 -1.82 -1.28 114.58 119.89 1nwd h GLU 140 Ca 0.39 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.75 1nwd h GLU 140 Cb 0.40 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1nwd h GLU 140 CO -0.16 0.36 -0.09 0.35 -1.00 0.00 0.00 179.01 178.48 1nwd h PHE 141 N 0.32 -0.20 -0.22 4.33 3.57 -0.89 0.26 116.94 124.11 1nwd h PHE 141 Ca 0.09 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1nwd h PHE 141 Cb 0.10 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1nwd h PHE 141 CO -0.03 -0.14 -0.07 0.28 -2.23 0.00 0.00 178.31 176.12 1nwd h VAL 142 N -0.05 0.74 -0.55 1.41 2.07 -1.40 -2.78 116.25 115.69 1nwd h VAL 142 Ca 0.12 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.57 1nwd h VAL 142 Cb 0.22 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1nwd h VAL 142 CO -0.26 0.00 0.09 -0.61 0.02 0.00 0.00 177.57 176.82 1nwd h GLN 143 N -0.03 0.88 -0.20 1.57 5.75 -0.77 0.11 115.11 122.42 1nwd h GLN 143 Ca 0.11 -0.20 0.04 0.00 -0.15 0.00 0.00 58.65 58.45 1nwd h GLN 143 Cb 0.20 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.59 1nwd h GLN 143 CO -0.24 0.82 -0.05 0.52 -2.65 0.00 0.00 178.83 177.22 1nwd h MET 144 N 0.84 -0.01 0.00 1.69 2.86 -0.82 -1.50 114.93 117.99 1nwd h MET 144 Ca 0.17 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1nwd h MET 144 Cb 0.36 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1nwd h MET 144 CO 0.01 -0.01 -0.06 0.52 1.06 0.00 0.00 176.91 178.43 1nwd h MET 145 N -0.01 0.00 -2.19 1.72 2.86 -1.22 -3.35 114.93 112.74 1nwd h MET 145 Ca 0.10 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.18 1nwd h MET 145 Cb 0.16 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 31.40 1nwd h MET 145 CO -0.21 0.06 -0.82 2.41 1.06 0.00 0.00 176.91 179.42 1nwd n THR 146 N -3.13 2.00 -2.82 2.22 -1.04 0.35 -5.00 114.28 106.86 1nwd n THR 146 Ca 0.02 -5.24 -0.43 0.00 -2.04 0.00 0.00 64.05 56.36 1nwd n THR 146 Cb 0.47 -1.09 -0.03 0.00 -1.82 0.00 0.00 70.33 67.86 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 -3.08 3.16 0.00 2.41 0.00 -0.60 -4.60 121.76 119.05 1nwd s ALA 147 Ca 0.46 -2.50 0.00 0.00 0.00 0.00 0.00 51.96 49.91 1nwd s ALA 147 Cb 0.29 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1nwd s ALA 147 CO -0.12 -3.12 0.00 1.17 0.00 0.00 0.00 175.76 173.70