#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwd n ASP 2 N 0.00 -6.70 -3.80 0.00 2.03 -1.26 -5.04 116.55 101.78 1nwd n ASP 2 Ca 0.00 -0.43 -0.14 0.00 0.52 0.00 0.00 54.79 54.74 1nwd n ASP 2 Cb 0.00 -4.05 -0.16 0.00 -0.72 0.00 0.00 41.12 36.20 1nwd n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nwd s GLN 3 N -3.82 -0.00 0.07 -0.67 -2.07 -1.26 -5.06 119.66 106.85 1nwd s GLN 3 Ca 0.04 0.14 -0.07 0.00 -1.82 0.00 0.00 55.36 53.64 1nwd s GLN 3 Cb -0.01 -0.21 -0.28 0.00 -1.09 0.00 0.00 33.01 31.41 1nwd s GLN 3 CO 0.80 -0.13 1.12 -0.07 -1.32 0.00 0.00 175.29 175.70 1nwd h LEU 4 N 7.04 0.54-10.27 2.60 3.38 -2.06 -3.48 115.31 113.06 1nwd h LEU 4 Ca -0.41 -0.57 -0.52 0.00 0.09 0.00 0.00 57.88 56.48 1nwd h LEU 4 Cb 1.14 -0.18 0.20 0.00 0.09 0.00 0.00 40.66 41.91 1nwd h LEU 4 CO 0.49 1.43 0.22 0.28 0.09 0.00 0.00 178.44 180.95 1nwd s THR 5 N -2.70 2.01 -1.31 0.22 -1.32 -1.26 -4.92 115.64 106.35 1nwd s THR 5 Ca -0.05 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.61 1nwd s THR 5 Cb 0.06 -2.00 0.27 0.00 -1.51 0.00 0.00 72.50 69.32 1nwd s THR 5 CO 0.90 -0.00 1.54 -0.62 -2.21 0.00 0.00 174.62 174.23 1nwd n GLU 6 N -4.27 0.18 -0.23 7.08 -0.58 -1.26 -3.81 120.64 117.75 1nwd n GLU 6 Ca 0.12 0.14 -0.03 0.00 -0.42 0.00 0.00 57.16 56.97 1nwd n GLU 6 Cb 0.52 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.97 1nwd n GLU 6 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1nwd h GLU 7 N 0.00 0.73 0.39 3.49 5.08 -1.97 -0.28 114.58 122.02 1nwd h GLU 7 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1nwd h GLU 7 Cb 0.20 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1nwd h GLU 7 CO 0.00 0.48 -0.25 0.37 -1.00 0.00 0.00 179.01 178.62 1nwd h GLN 8 N 0.75 -0.59 -0.33 2.33 4.15 -1.93 -1.54 115.11 117.96 1nwd h GLN 8 Ca 0.28 0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.74 1nwd h GLN 8 Cb 0.09 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1nwd h GLN 8 CO -0.14 -0.39 0.21 0.82 -1.93 0.00 0.00 178.83 177.41 1nwd h ILE 9 N -0.61 1.08 0.71 2.39 5.03 -1.74 -1.89 117.51 122.47 1nwd h ILE 9 Ca -0.04 -0.15 -0.03 0.00 -0.12 0.00 0.00 64.86 64.52 1nwd h ILE 9 Cb 0.51 0.60 -0.00 0.00 -3.03 0.00 0.00 36.82 34.89 1nwd h ILE 9 CO 0.04 0.08 -0.44 0.00 -0.68 0.00 0.00 178.15 177.15 1nwd h ALA 10 N 1.12 -1.12 -0.09 1.87 0.00 -1.06 -1.82 119.26 118.18 1nwd h ALA 10 Ca 0.12 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1nwd h ALA 10 Cb -0.04 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1nwd h ALA 10 CO -0.03 -1.14 -0.22 1.49 0.00 0.00 0.00 179.25 179.34 1nwd h GLU 11 N -1.08 -0.29 -0.93 0.00 4.22 -1.23 -1.27 114.58 114.00 1nwd h GLU 11 Ca -0.09 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 1nwd h GLU 11 Cb 0.87 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 1nwd h GLU 11 CO 0.09 -0.20 0.55 0.74 -2.18 0.00 0.00 179.01 178.02 1nwd h PHE 12 N -0.31 1.24 0.87 0.92 -1.00 -1.37 -1.06 116.94 116.24 1nwd h PHE 12 Ca 0.09 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 1nwd h PHE 12 Cb 0.43 -0.41 0.01 0.00 3.61 0.00 0.00 35.95 39.59 1nwd h PHE 12 CO -0.31 0.83 -0.42 -0.22 -1.61 0.00 0.00 178.31 176.58 1nwd h LYS 13 N 1.29 -1.13 -0.76 1.51 3.64 -1.05 -2.88 116.57 117.19 1nwd h LYS 13 Ca 0.33 0.08 0.17 0.00 -1.27 0.00 0.00 60.65 59.96 1nwd h LYS 13 Cb -0.04 0.26 -0.12 0.00 -0.41 0.00 0.00 32.23 31.91 1nwd h LYS 13 CO -0.06 -0.75 0.14 0.93 -2.27 0.00 0.00 179.45 177.44 1nwd h GLU 14 N -1.26 0.21 0.48 1.90 5.08 -1.06 0.20 114.58 120.13 1nwd h GLU 14 Ca -0.12 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1nwd h GLU 14 Cb 0.90 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1nwd h GLU 14 CO 0.20 0.14 -0.41 0.00 -1.00 0.00 0.00 179.01 177.94 1nwd h ALA 15 N 1.66 -0.94 -0.43 3.43 0.00 -1.22 -2.41 119.26 119.35 1nwd h ALA 15 Ca 0.43 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1nwd h ALA 15 Cb 0.77 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1nwd h ALA 15 CO -0.57 -1.06 -0.03 0.35 0.00 0.00 0.00 179.25 177.95 1nwd h PHE 16 N -0.88 0.77 -0.96 0.00 3.57 -1.23 -3.07 116.94 115.14 1nwd h PHE 16 Ca -0.05 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.36 1nwd h PHE 16 Cb 0.76 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 1nwd h PHE 16 CO -0.19 0.73 0.63 0.77 -2.23 0.00 0.00 178.31 178.03 1nwd h SER 17 N 0.67 1.08 -0.34 0.41 0.02 -0.86 0.24 113.55 114.77 1nwd h SER 17 Ca 0.13 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 1nwd h SER 17 Cb 0.45 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.67 1nwd h SER 17 CO 0.02 0.77 -0.02 0.25 -1.14 0.00 0.00 176.83 176.71 1nwd h LEU 18 N 1.27 -0.18 -0.58 5.07 5.85 -1.33 -2.40 115.31 123.01 1nwd h LEU 18 Ca 0.36 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 59.14 1nwd h LEU 18 Cb -0.10 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1nwd h LEU 18 CO -0.09 -0.05 0.26 0.15 -0.34 0.00 0.00 178.44 178.37 1nwd h PHE 19 N 0.07 0.85 -2.11 1.25 3.57 -1.39 -3.35 116.94 115.83 1nwd h PHE 19 Ca 0.16 -0.05 -0.78 0.00 3.53 0.00 0.00 57.97 60.83 1nwd h PHE 19 Cb 0.23 -0.26 -0.22 0.00 2.79 0.00 0.00 35.95 38.50 1nwd h PHE 19 CO -0.26 0.66 1.43 -3.47 -2.23 0.00 0.00 178.31 174.45 1nwd n ASP 20 N -4.52 6.20 -0.15 0.41 2.03 0.79 -4.87 116.55 116.44 1nwd n ASP 20 Ca 0.03 -3.31 -0.07 0.00 0.52 0.00 0.00 54.79 51.96 1nwd n ASP 20 Cb 0.14 -1.34 0.01 0.00 -0.72 0.00 0.00 41.12 39.20 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 5.33 0.58 -0.24 -0.67 1.79 -1.71 -2.84 116.57 118.81 1nwd h LYS 21 Ca 0.36 -0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.82 1nwd h LYS 21 Cb 0.56 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.04 1nwd h LYS 21 CO 1.44 0.38 0.05 -0.44 -1.08 0.00 0.00 179.45 179.81 1nwd h ASP 22 N 0.60 0.02 0.00 0.86 5.19 -1.89 -3.48 116.42 117.72 1nwd h ASP 22 Ca 0.17 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1nwd h ASP 22 Cb -0.06 0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1nwd h ASP 22 CO -0.04 0.05 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1nwd n GLY 23 N -1.19 2.45 0.27 2.75 0.00 -1.07 -5.01 105.19 103.40 1nwd n GLY 23 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1nwd n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1nwd h ASP 24 N 0.00 0.04 0.00 1.61 3.04 -1.92 -3.47 116.42 115.72 1nwd h ASP 24 Ca 0.00 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1nwd h ASP 24 Cb 0.00 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.28 1nwd h ASP 24 CO 0.00 0.03 0.00 0.61 -2.04 0.00 0.00 179.24 177.84 1nwd n GLY 25 N -1.54 3.17 3.77 7.15 0.00 -1.26 -5.08 105.19 111.39 1nwd n GLY 25 Ca -0.01 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 2.96 -0.19 2.61 -4.23 -1.26 -4.10 115.64 111.43 1nwd s THR 26 Ca 0.00 0.97 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 1nwd s THR 26 Cb 0.00 -3.62 0.04 0.00 1.34 0.00 0.00 72.50 70.27 1nwd s THR 26 CO 0.00 0.23 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.61 1nwd s ILE 27 N -1.12 1.33 0.51 2.99 1.01 -0.69 -4.90 121.20 120.32 1nwd s ILE 27 Ca 0.48 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 60.38 1nwd s ILE 27 Cb -0.37 -1.49 0.04 0.00 0.01 0.00 0.00 42.46 40.65 1nwd s ILE 27 CO 0.49 0.11 0.54 0.28 0.00 0.00 0.00 174.94 176.36 1nwd s THR 28 N 1.53 2.21 0.49 2.92 -1.32 -1.26 -2.23 115.64 117.98 1nwd s THR 28 Ca -0.01 -1.24 0.19 0.00 -1.21 0.00 0.00 61.69 59.42 1nwd s THR 28 Cb -0.16 -2.45 0.34 0.00 -1.51 0.00 0.00 72.50 68.72 1nwd s THR 28 CO -0.08 0.00 2.03 0.71 -2.21 0.00 0.00 174.62 175.07 1nwd h THR 29 N 0.62 0.86 0.23 5.08 1.35 -1.90 -2.29 112.91 116.86 1nwd h THR 29 Ca -0.36 -0.05 -0.01 0.00 -0.55 0.00 0.00 66.41 65.44 1nwd h THR 29 Cb 1.29 0.70 -0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1nwd h THR 29 CO 0.51 0.03 -0.12 0.11 -0.25 0.00 0.00 175.52 175.79 1nwd h LYS 30 N 0.15 -0.32 0.15 4.72 1.57 -1.98 0.04 116.57 120.90 1nwd h LYS 30 Ca 0.20 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1nwd h LYS 30 Cb 0.58 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1nwd h LYS 30 CO -0.03 -0.21 -0.07 0.93 -0.57 0.00 0.00 179.45 179.50 1nwd h GLU 31 N -0.33 -0.19 -0.59 3.15 5.08 -1.89 -1.84 114.58 117.96 1nwd h GLU 31 Ca -0.03 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.46 1nwd h GLU 31 Cb 0.27 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 1nwd h GLU 31 CO 0.04 -0.06 0.10 1.25 -1.00 0.00 0.00 179.01 179.34 1nwd h LEU 32 N -0.29 -0.05 0.11 1.33 7.12 -1.35 -2.10 115.31 120.08 1nwd h LEU 32 Ca -0.02 0.12 -0.01 0.00 0.13 0.00 0.00 57.88 58.10 1nwd h LEU 32 Cb 0.23 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1nwd h LEU 32 CO 0.03 -0.02 -0.06 1.23 -0.13 0.00 0.00 178.44 179.50 1nwd h GLY 33 N 0.22 -0.16 0.28 3.75 0.00 -0.95 -3.25 103.07 102.97 1nwd h GLY 33 Ca 0.31 0.06 0.13 0.00 0.00 0.00 0.00 47.33 47.83 1nwd h GLY 33 CO -0.42 -0.06 0.41 -0.84 0.00 0.00 0.00 176.54 175.64 1nwd h THR 34 N -0.24 0.76 0.25 4.70 2.02 -0.68 -0.37 112.91 119.34 1nwd h THR 34 Ca -0.02 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1nwd h THR 34 Cb 0.20 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 1nwd h THR 34 CO 0.03 0.11 -0.53 0.58 0.37 0.00 0.00 175.52 176.08 1nwd h VAL 35 N 0.62 0.00 -0.78 3.16 2.07 -1.46 -0.81 116.25 119.05 1nwd h VAL 35 Ca 0.43 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.04 1nwd h VAL 35 Cb 0.58 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 1nwd h VAL 35 CO -0.34 0.00 0.44 0.24 0.02 0.00 0.00 177.57 177.93 1nwd h MET 36 N -0.84 0.73 -0.47 1.57 2.86 -1.53 -2.59 114.93 114.66 1nwd h MET 36 Ca -0.02 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1nwd h MET 36 Cb 0.80 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 1nwd h MET 36 CO -0.22 0.48 0.25 -0.09 1.06 0.00 0.00 176.91 178.40 1nwd h ARG 37 N 0.75 0.48 -0.04 1.72 9.65 -0.67 -1.34 114.38 124.92 1nwd h ARG 37 Ca 0.37 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.22 1nwd h ARG 37 Cb 0.32 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1nwd h ARG 37 CO -0.23 0.32 0.01 0.77 2.80 0.00 0.00 179.97 183.63 1nwd h SER 38 N 0.50 0.07 0.20 -3.80 0.02 -0.95 -3.28 113.55 106.30 1nwd h SER 38 Ca 0.20 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1nwd h SER 38 Cb 0.08 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1nwd h SER 38 CO -0.12 0.32 -0.28 -0.07 -1.14 0.00 0.00 176.83 175.54 1nwd h LEU 39 N -0.18 -0.77 0.00 5.07 3.38 -1.34 -3.47 115.31 118.00 1nwd h LEU 39 Ca 0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1nwd h LEU 39 Cb 0.28 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1nwd h LEU 39 CO 0.00 -0.38 0.00 0.61 0.09 0.00 0.00 178.44 178.76 1nwd n GLY 40 N -1.39 -0.56 3.58 0.83 0.00 -0.59 -5.12 105.19 101.95 1nwd n GLY 40 Ca -0.08 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1nwd n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nwd s GLN 41 N 0.00 0.75 -0.80 1.61 0.00 -0.73 -5.02 119.66 115.47 1nwd s GLN 41 Ca 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 55.36 55.75 1nwd s GLN 41 Cb 0.00 0.36 0.20 0.00 0.00 0.00 0.00 33.01 33.56 1nwd s GLN 41 CO 0.00 -0.19 0.65 0.54 0.00 0.00 0.00 175.29 176.29 1nwd s ASN 42 N -0.65 5.54 0.59 12.60 4.22 -1.26 -2.55 114.94 133.43 1nwd s ASN 42 Ca -0.03 -3.64 -0.17 0.00 -2.14 0.00 0.00 52.86 46.88 1nwd s ASN 42 Cb -0.02 -1.82 -0.04 0.00 1.28 0.00 0.00 41.25 40.65 1nwd s ASN 42 CO 0.02 -0.18 1.09 -2.16 -2.04 0.00 0.00 177.10 173.84 1nwd s PRO 43 N -1.20 3.21 0.09 3.55 0.04 -1.26 -5.03 135.00 134.40 1nwd s PRO 43 Ca 0.25 1.41 -0.23 0.00 0.04 0.00 0.00 61.00 62.47 1nwd s PRO 43 Cb -0.09 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1nwd s PRO 43 CO -0.12 -0.92 0.69 0.95 0.04 0.00 0.00 177.00 177.64 1nwd s THR 44 N -2.16 4.63 0.30 1.26 -4.23 -1.26 -5.00 115.64 109.18 1nwd s THR 44 Ca 0.68 1.49 0.01 0.00 -1.18 0.00 0.00 61.69 62.69 1nwd s THR 44 Cb -0.20 -4.04 0.17 0.00 1.34 0.00 0.00 72.50 69.77 1nwd s THR 44 CO 0.33 0.48 1.86 1.05 -0.54 0.00 0.00 174.62 177.80 1nwd h GLU 45 N 4.89 0.73 -0.24 3.99 4.11 -1.99 -2.80 114.58 123.28 1nwd h GLU 45 Ca -0.47 -0.14 0.04 0.00 0.07 0.00 0.00 59.36 58.87 1nwd h GLU 45 Cb 1.21 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 1nwd h GLU 45 CO 0.67 0.67 -0.03 0.00 0.07 0.00 0.00 179.01 180.38 1nwd h ALA 46 N 1.42 0.18 0.02 1.06 0.00 -2.01 -2.93 119.26 116.99 1nwd h ALA 46 Ca 0.16 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1nwd h ALA 46 Cb 0.27 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1nwd h ALA 46 CO -0.00 -0.45 -0.01 0.93 0.00 0.00 0.00 179.25 179.72 1nwd h GLU 47 N 0.03 -0.02 -0.86 0.00 4.39 -1.93 -2.99 114.58 113.20 1nwd h GLU 47 Ca 0.11 0.00 0.23 0.00 0.34 0.00 0.00 59.36 60.04 1nwd h GLU 47 Cb 0.16 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.67 1nwd h GLU 47 CO -0.22 0.13 0.16 -0.07 -1.16 0.00 0.00 179.01 177.85 1nwd h LEU 48 N -0.17 -0.13 0.50 1.33 3.38 -1.39 -0.88 115.31 117.95 1nwd h LEU 48 Ca -0.00 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1nwd h LEU 48 Cb 0.16 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1nwd h LEU 48 CO 0.00 -0.19 -0.24 -0.61 0.09 0.00 0.00 178.44 177.50 1nwd h GLN 49 N 0.16 -0.64 -0.44 1.13 4.15 -1.47 -3.31 115.11 114.69 1nwd h GLN 49 Ca 0.53 0.04 0.08 0.00 0.77 0.00 0.00 58.65 60.07 1nwd h GLN 49 Cb 1.05 0.15 -0.07 0.00 0.21 0.00 0.00 27.48 28.81 1nwd h GLN 49 CO -0.69 -0.34 0.02 -0.44 -1.93 0.00 0.00 178.83 175.44 1nwd h ASP 50 N -0.89 -0.14 -0.71 -0.69 3.32 -1.22 -2.52 116.42 113.57 1nwd h ASP 50 Ca -0.07 0.10 0.14 0.00 0.02 0.00 0.00 57.03 57.22 1nwd h ASP 50 Cb 0.59 0.17 -0.14 0.00 0.22 0.00 0.00 39.33 40.17 1nwd h ASP 50 CO 0.11 -0.04 -0.19 0.24 -1.72 0.00 0.00 179.24 177.65 1nwd h MET 51 N 0.13 -0.01 0.27 3.56 2.86 -1.27 -1.83 114.93 118.64 1nwd h MET 51 Ca 0.22 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1nwd h MET 51 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1nwd h MET 51 CO -0.35 -0.01 -0.13 0.82 1.06 0.00 0.00 176.91 178.31 1nwd h ILE 52 N -0.01 0.76 -0.72 -1.22 1.08 -1.59 -3.35 117.51 112.47 1nwd h ILE 52 Ca 0.34 -0.55 0.16 0.00 -0.39 0.00 0.00 64.86 64.42 1nwd h ILE 52 Cb 0.53 1.06 -0.12 0.00 -3.07 0.00 0.00 36.82 35.21 1nwd h ILE 52 CO -0.74 0.11 -0.01 0.78 -0.69 0.00 0.00 178.15 177.60 1nwd h ASN 53 N -0.67 -0.35 0.12 1.72 -0.26 -0.92 -1.01 115.58 114.21 1nwd h ASN 53 Ca -0.04 0.19 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1nwd h ASN 53 Cb 0.47 0.33 -0.02 0.00 -1.06 0.00 0.00 38.32 38.04 1nwd h ASN 53 CO 0.06 -0.17 -0.25 -0.33 -1.06 0.00 0.00 177.43 175.69 1nwd h GLU 54 N 0.10 -0.38 -0.46 0.81 3.07 -1.58 -3.16 114.58 112.98 1nwd h GLU 54 Ca 0.38 0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.23 1nwd h GLU 54 Cb 0.65 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.63 1nwd h GLU 54 CO -0.63 -0.25 0.12 0.28 -1.40 0.00 0.00 179.01 177.12 1nwd h VAL 55 N -0.40 1.23 -3.08 3.13 2.07 -1.68 -3.45 116.25 114.08 1nwd h VAL 55 Ca -0.01 -0.81 -0.57 0.00 0.82 0.00 0.00 66.70 66.13 1nwd h VAL 55 Cb 0.38 0.88 0.10 0.00 -1.52 0.00 0.00 31.29 31.12 1nwd h VAL 55 CO -0.10 0.29 0.58 -0.67 0.02 0.00 0.00 177.57 177.68 1nwd n ASP 56 N -4.51 2.85 0.33 0.57 2.03 -0.40 -3.94 116.55 113.49 1nwd n ASP 56 Ca 0.01 1.18 -0.17 0.00 0.52 0.00 0.00 54.79 56.32 1nwd n ASP 56 Cb 0.21 -1.47 -0.09 0.00 -0.72 0.00 0.00 41.12 39.05 1nwd n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nwd h ALA 57 N 3.35 -0.82 0.40 -1.67 0.00 -1.86 -3.37 119.26 115.29 1nwd h ALA 57 Ca -0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1nwd h ALA 57 Cb 1.28 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1nwd h ALA 57 CO 0.69 -0.96 -0.19 -0.44 0.00 0.00 0.00 179.25 178.34 1nwd h ASP 58 N -0.82 -0.46 -2.87 0.00 5.19 -1.93 -3.37 116.42 112.17 1nwd h ASP 58 Ca -0.08 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1nwd h ASP 58 Cb 0.63 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1nwd h ASP 58 CO 0.12 -0.11 0.00 0.61 -3.12 0.00 0.00 179.24 176.74 1nwd n GLY 59 N 0.20 -0.50 1.26 2.75 0.00 -1.26 -5.07 105.19 102.57 1nwd n GLY 59 Ca -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 1nwd n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nwd n ASN 60 N -0.64 -0.49 0.00 1.61 2.04 -1.26 -5.02 115.26 111.49 1nwd n ASN 60 Ca 0.00 -2.01 0.00 0.00 -0.44 0.00 0.00 54.58 52.13 1nwd n ASN 60 Cb 0.16 0.16 0.00 0.00 -2.53 0.00 0.00 39.78 37.57 1nwd n ASN 60 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1nwd n GLY 61 N 0.01 1.84 3.71 4.83 0.00 -1.26 -4.93 105.19 109.39 1nwd n GLY 61 Ca -0.18 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 2.68 -0.20 2.61 -4.23 -1.26 -4.50 115.64 110.74 1nwd s THR 62 Ca 0.00 0.22 -0.08 0.00 -1.18 0.00 0.00 61.69 60.65 1nwd s THR 62 Cb 0.00 -2.65 0.09 0.00 1.34 0.00 0.00 72.50 71.28 1nwd s THR 62 CO 0.00 -0.29 0.44 -0.51 -0.54 0.00 0.00 174.62 173.72 1nwd s ILE 63 N -2.88 -0.55 0.66 2.99 1.10 -0.94 -4.91 121.20 116.66 1nwd s ILE 63 Ca 0.64 0.14 -0.06 0.00 -0.51 0.00 0.00 60.65 60.86 1nwd s ILE 63 Cb -0.19 -0.69 0.14 0.00 0.15 0.00 0.00 42.46 41.88 1nwd s ILE 63 CO 0.57 0.06 0.91 0.47 -2.11 0.00 0.00 174.94 174.84 1nwd n ASP 64 N 5.19 0.59 0.00 4.50 9.92 -1.26 -1.71 116.55 133.78 1nwd n ASP 64 Ca -0.11 -1.65 0.00 0.00 -0.53 0.00 0.00 54.79 52.50 1nwd n ASP 64 Cb 0.51 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 1nwd n ASP 64 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1nwd n PHE 65 N -2.97 0.00 -0.15 1.24 3.01 -1.26 -1.65 117.46 115.69 1nwd n PHE 65 Ca 0.13 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.59 1nwd n PHE 65 Cb 0.46 -0.44 0.25 0.00 -0.01 0.00 0.00 39.48 39.74 1nwd n PHE 65 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1nwd h PRO 66 N 0.00 0.86 -0.46 -1.08 0.13 -1.97 -2.03 132.00 127.44 1nwd h PRO 66 Ca 0.00 -0.09 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 1nwd h PRO 66 Cb 0.00 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 30.94 1nwd h PRO 66 CO 0.00 0.64 0.12 0.93 -0.23 0.00 0.00 178.00 179.46 1nwd h GLU 67 N 0.86 0.69 -0.19 0.86 5.08 -1.96 -1.72 114.58 118.21 1nwd h GLU 67 Ca 0.22 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 1nwd h GLU 67 Cb 0.04 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1nwd h GLU 67 CO -0.03 0.62 -0.45 0.35 -1.00 0.00 0.00 179.01 178.50 1nwd h PHE 68 N 0.67 0.81 -0.98 4.33 3.57 -0.64 -2.21 116.94 122.50 1nwd h PHE 68 Ca 0.15 -0.31 0.15 0.00 3.53 0.00 0.00 57.97 61.49 1nwd h PHE 68 Cb 0.24 -0.15 -0.09 0.00 2.79 0.00 0.00 35.95 38.74 1nwd h PHE 68 CO 0.01 1.08 0.62 -0.07 -2.23 0.00 0.00 178.31 177.72 1nwd h LEU 69 N 0.31 0.82 0.90 0.59 4.07 -1.17 -1.82 115.31 119.02 1nwd h LEU 69 Ca -0.00 0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 1nwd h LEU 69 Cb 1.06 -0.10 0.01 0.00 1.08 0.00 0.00 40.66 42.71 1nwd h LEU 69 CO 0.10 0.39 -0.43 0.74 -1.08 0.00 0.00 178.44 178.15 1nwd h THR 70 N 0.85 0.00 -0.97 0.22 2.02 -1.26 -2.43 112.91 111.34 1nwd h THR 70 Ca 0.51 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.86 1nwd h THR 70 Cb 0.68 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.93 1nwd h THR 70 CO -0.29 0.00 -0.34 0.23 0.37 0.00 0.00 175.52 175.49 1nwd n MET 71 N -5.26 -0.19 0.25 6.66 2.81 -0.77 0.00 117.12 120.62 1nwd n MET 71 Ca -0.15 1.50 -0.11 0.00 -1.81 0.00 0.00 57.70 57.13 1nwd n MET 71 Cb 0.48 -2.23 -0.05 0.00 -0.71 0.00 0.00 33.22 30.71 1nwd n MET 71 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1nwd h MET 72 N 0.00 -0.66 0.00 0.03 2.07 -1.42 -3.41 114.93 111.54 1nwd h MET 72 Ca 0.38 0.05 0.00 0.00 -2.07 0.00 0.00 59.70 58.05 1nwd h MET 72 Cb 0.62 0.15 0.00 0.00 -1.87 0.00 0.00 31.60 30.50 1nwd h MET 72 CO -0.97 -0.44 -0.07 0.00 1.07 0.00 0.00 176.91 176.49 1nwd h ALA 73 N -1.23 0.00 0.06 6.32 0.00 -1.16 -3.46 119.26 119.79 1nwd h ALA 73 Ca -0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nwd h ALA 73 Cb 0.53 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1nwd h ALA 73 CO 0.12 0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.41 1nwd h ARG 74 N -0.16 -0.08 -0.06 0.00 -0.00 -1.42 -3.45 114.38 109.21 1nwd h ARG 74 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1nwd h ARG 74 Cb 0.07 0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.06 1nwd h ARG 74 CO 0.00 -0.05 -0.01 1.17 0.00 0.00 0.00 179.97 181.07 1nwd n LYS 75 N -3.24 -0.08 -0.04 0.04 0.00 0.10 -4.35 118.16 110.59 1nwd n LYS 75 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 58.31 58.36 1nwd n LYS 75 Cb 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 35.03 35.00 1nwd n LYS 75 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1nwd n MET 76 N -0.61 -0.12 -1.45 1.64 1.56 -1.25 -4.74 117.12 112.15 1nwd n MET 76 Ca 0.00 0.09 -0.35 0.00 -0.27 0.00 0.00 57.70 57.17 1nwd n MET 76 Cb 0.00 -0.10 -0.07 0.00 2.15 0.00 0.00 33.22 35.19 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 -1.17 1.22 -3.82 2.12 4.81 -1.26 -4.82 118.16 115.24 1nwd n LYS 77 Ca 0.00 -1.96 -0.12 0.00 -0.87 0.00 0.00 58.31 55.36 1nwd n LYS 77 Cb 0.00 -3.26 -0.10 0.00 0.02 0.00 0.00 35.03 31.69 1nwd n LYS 77 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1nwd s ASP 78 N 6.13 -0.10 0.02 3.14 1.01 -1.26 -5.11 116.67 120.50 1nwd s ASP 78 Ca 0.65 0.02 -0.09 0.00 0.71 0.00 0.00 52.55 53.84 1nwd s ASP 78 Cb 0.07 0.30 -0.04 0.00 1.01 0.00 0.00 42.92 44.25 1nwd s ASP 78 CO 0.16 -0.35 1.14 0.71 0.21 0.00 0.00 175.17 177.05 1nwd h THR 79 N 4.21 0.00 -3.81 -1.27 1.35 -1.99 -3.38 112.91 108.02 1nwd h THR 79 Ca -0.29 0.00 -0.63 0.00 -0.55 0.00 0.00 66.41 64.93 1nwd h THR 79 Cb 1.19 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 67.45 1nwd h THR 79 CO 0.39 0.00 -0.42 -1.81 -0.25 0.00 0.00 175.52 173.43 1nwd s ASP 80 N -2.84 6.11 -0.01 5.36 1.01 -1.26 -4.96 116.67 120.09 1nwd s ASP 80 Ca -0.04 0.11 0.02 0.00 0.71 0.00 0.00 52.55 53.34 1nwd s ASP 80 Cb 0.01 -2.15 0.02 0.00 1.01 0.00 0.00 42.92 41.81 1nwd s ASP 80 CO 0.15 -0.09 0.76 -1.20 0.21 0.00 0.00 175.17 175.01 1nwd n SER 81 N 5.08 0.56 0.16 0.27 7.64 -1.26 -4.53 113.62 121.53 1nwd n SER 81 Ca -0.12 -1.58 0.02 0.00 1.01 0.00 0.00 58.87 58.19 1nwd n SER 81 Cb 0.52 -0.08 0.35 0.00 -1.01 0.00 0.00 64.21 63.99 1nwd n SER 81 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1nwd h GLU 82 N 0.00 0.10 -0.13 1.43 -0.00 -1.87 -2.48 114.58 111.63 1nwd h GLU 82 Ca 0.00 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.36 59.22 1nwd h GLU 82 Cb 1.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.73 1nwd h GLU 82 CO 0.00 0.40 -0.38 1.05 -0.00 0.00 0.00 179.01 180.08 1nwd h GLU 83 N 0.09 0.29 -0.45 1.06 4.11 -1.93 0.02 114.58 117.76 1nwd h GLU 83 Ca 0.01 -0.13 -0.05 0.00 0.07 0.00 0.00 59.36 59.26 1nwd h GLU 83 Cb 0.59 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1nwd h GLU 83 CO 0.04 0.63 0.08 1.49 0.07 0.00 0.00 179.01 181.33 1nwd h GLU 84 N 0.24 0.74 -0.55 1.06 4.57 -1.74 -1.43 114.58 117.48 1nwd h GLU 84 Ca 0.03 -0.19 -0.09 0.00 -1.18 0.00 0.00 59.36 57.92 1nwd h GLU 84 Cb 0.79 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.26 1nwd h GLU 84 CO 0.06 0.76 -0.00 0.82 -1.18 0.00 0.00 179.01 179.46 1nwd h ILE 85 N 0.61 1.26 -0.70 2.32 1.08 -1.37 -2.25 117.51 118.46 1nwd h ILE 85 Ca 0.14 -1.10 0.03 0.00 -0.39 0.00 0.00 64.86 63.54 1nwd h ILE 85 Cb 0.37 0.84 -0.04 0.00 -3.07 0.00 0.00 36.82 34.92 1nwd h ILE 85 CO 0.01 0.39 0.46 -0.09 -0.69 0.00 0.00 178.15 178.23 1nwd h ARG 86 N 0.87 0.85 -0.11 2.37 2.43 -0.78 0.07 114.38 120.07 1nwd h ARG 86 Ca 0.16 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1nwd h ARG 86 Cb 0.52 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1nwd h ARG 86 CO 0.03 0.56 0.00 1.49 -1.51 0.00 0.00 179.97 180.54 1nwd h GLU 87 N 0.88 0.19 -0.90 0.20 4.22 -1.04 -1.79 114.58 116.34 1nwd h GLU 87 Ca 0.28 -0.06 0.10 0.00 0.08 0.00 0.00 59.36 59.75 1nwd h GLU 87 Cb 0.02 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1nwd h GLU 87 CO -0.07 0.44 0.55 0.00 -2.18 0.00 0.00 179.01 177.74 1nwd h ALA 88 N 0.75 1.31 0.19 2.92 0.00 -0.97 -2.69 119.26 120.76 1nwd h ALA 88 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nwd h ALA 88 Cb 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1nwd h ALA 88 CO 0.01 0.20 -0.09 0.74 0.00 0.00 0.00 179.25 180.10 1nwd h PHE 89 N 0.92 -0.23 0.00 0.00 -1.00 -0.86 -2.25 116.94 113.51 1nwd h PHE 89 Ca 0.43 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 61.17 1nwd h PHE 89 Cb 0.36 0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 1nwd h PHE 89 CO -0.03 -0.13 -0.17 0.07 -1.61 0.00 0.00 178.31 176.44 1nwd h ARG 90 N -0.26 0.00 0.01 1.51 -0.00 -1.01 0.17 114.38 114.79 1nwd h ARG 90 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.95 1nwd h ARG 90 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.17 1nwd h ARG 90 CO 0.04 0.17 -0.01 0.28 -0.00 0.00 0.00 179.97 180.46 1nwd h VAL 91 N 0.00 1.51 0.11 0.08 2.07 -1.47 -3.41 116.25 115.14 1nwd h VAL 91 Ca -0.00 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 1nwd h VAL 91 Cb 0.38 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1nwd h VAL 91 CO 0.02 0.42 -0.05 -0.26 0.02 0.00 0.00 177.57 177.72 1nwd h PHE 92 N -0.74 -0.14 -3.59 1.57 -1.00 -1.10 -3.45 116.94 108.49 1nwd h PHE 92 Ca -0.00 -0.00 -0.51 0.00 2.81 0.00 0.00 57.97 60.26 1nwd h PHE 92 Cb 0.70 0.05 -0.02 0.00 3.61 0.00 0.00 35.95 40.29 1nwd h PHE 92 CO 0.17 -0.09 0.31 0.34 -1.61 0.00 0.00 178.31 177.43 1nwd s ASP 93 N -3.55 7.49 0.37 2.17 2.15 0.55 -4.59 116.67 121.27 1nwd s ASP 93 Ca -0.02 1.77 0.26 0.00 0.43 0.00 0.00 52.55 54.99 1nwd s ASP 93 Cb 0.00 -2.57 0.81 0.00 -0.30 0.00 0.00 42.92 40.87 1nwd s ASP 93 CO 0.07 0.04 1.76 0.11 -0.17 0.00 0.00 175.17 176.98 1nwd h LYS 94 N 5.04 0.00 0.00 4.34 1.79 -1.80 -3.36 116.57 122.59 1nwd h LYS 94 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1nwd h LYS 94 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1nwd h LYS 94 CO 0.70 0.00 -0.53 -0.25 -1.08 0.00 0.00 179.45 178.29 1nwd n ASP 95 N -2.73 1.57 -2.32 0.86 8.00 -1.26 -5.05 116.55 115.62 1nwd n ASP 95 Ca 0.03 0.52 -0.01 0.00 0.71 0.00 0.00 54.79 56.04 1nwd n ASP 95 Cb 0.40 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1nwd n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nwd n GLY 96 N 1.60 -0.85 2.01 0.44 0.00 -1.26 -4.90 105.19 102.22 1nwd n GLY 96 Ca -0.07 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1nwd n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nwd n ASN 97 N -1.21 0.62 -3.52 1.61 6.94 -1.26 -4.89 115.26 113.55 1nwd n ASN 97 Ca 0.01 -2.03 -0.19 0.00 -0.02 0.00 0.00 54.58 52.35 1nwd n ASN 97 Cb 0.45 -0.16 0.08 0.00 -2.36 0.00 0.00 39.78 37.79 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 -0.17 -0.38 3.64 4.83 0.00 -1.26 -5.02 105.19 106.83 1nwd n GLY 98 Ca -0.01 0.13 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 1nwd n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nwd s TYR 99 N -3.41 -0.47 -0.24 1.61 2.02 -1.25 -4.18 117.35 111.44 1nwd s TYR 99 Ca 0.11 0.98 -0.01 0.00 -0.37 0.00 0.00 57.07 57.78 1nwd s TYR 99 Cb -0.05 0.32 0.07 0.00 -0.40 0.00 0.00 41.96 41.90 1nwd s TYR 99 CO 0.75 -0.23 0.03 0.42 -1.57 0.00 0.00 175.55 174.95 1nwd s ILE 100 N 1.06 0.86 0.56 2.71 1.01 -0.93 -4.54 121.20 121.93 1nwd s ILE 100 Ca -0.06 -0.95 -0.18 0.00 0.00 0.00 0.00 60.65 59.45 1nwd s ILE 100 Cb -0.04 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.99 1nwd s ILE 100 CO -0.13 -0.31 1.10 -0.55 0.00 0.00 0.00 174.94 175.05 1nwd s SER 101 N 1.68 5.75 0.23 3.58 0.15 -1.26 -2.28 113.70 121.55 1nwd s SER 101 Ca 0.01 2.06 -0.07 0.00 0.70 0.00 0.00 55.95 58.65 1nwd s SER 101 Cb -0.18 -2.57 0.22 0.00 -1.71 0.00 0.00 66.02 61.79 1nwd s SER 101 CO -0.12 -1.19 1.89 0.00 1.20 0.00 0.00 173.24 175.01 1nwd h ALA 102 N 1.00 1.17 -0.51 5.45 0.00 -1.96 -2.06 119.26 122.35 1nwd h ALA 102 Ca -0.49 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1nwd h ALA 102 Cb 1.25 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1nwd h ALA 102 CO 0.57 0.61 0.27 0.00 0.00 0.00 0.00 179.25 180.70 1nwd h ALA 103 N 1.31 0.65 -0.38 0.00 0.00 -1.93 -0.47 119.26 118.44 1nwd h ALA 103 Ca 0.33 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1nwd h ALA 103 Cb -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1nwd h ALA 103 CO -0.06 0.19 -0.02 0.93 0.00 0.00 0.00 179.25 180.28 1nwd h GLU 104 N 0.68 0.62 -0.33 0.00 5.08 -1.90 -1.68 114.58 117.04 1nwd h GLU 104 Ca 0.18 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1nwd h GLU 104 Cb 0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1nwd h GLU 104 CO -0.03 0.65 0.07 -0.07 -1.00 0.00 0.00 179.01 178.63 1nwd h LEU 105 N 0.58 0.51 -1.43 1.33 3.38 -1.13 -2.99 115.31 115.57 1nwd h LEU 105 Ca 0.12 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 57.93 1nwd h LEU 105 Cb 0.40 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1nwd h LEU 105 CO 0.02 0.62 0.48 -0.09 0.09 0.00 0.00 178.44 179.56 1nwd h ARG 106 N 0.37 0.64 0.83 1.13 2.43 -0.75 -3.11 114.38 115.92 1nwd h ARG 106 Ca 0.10 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1nwd h ARG 106 Cb 0.32 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1nwd h ARG 106 CO 0.00 0.42 -0.40 1.25 -1.51 0.00 0.00 179.97 179.74 1nwd h HIS 107 N 0.66 -1.03 -0.84 2.20 2.76 -1.17 -2.51 115.15 115.21 1nwd h HIS 107 Ca 0.33 -0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.65 1nwd h HIS 107 Cb 0.42 0.34 -0.06 0.00 1.55 0.00 0.00 27.41 29.67 1nwd h HIS 107 CO -0.00 -0.64 0.56 -0.24 -1.30 0.00 0.00 177.93 176.30 1nwd h VAL 108 N -1.23 0.75 0.40 5.26 3.04 -1.54 -0.52 116.25 122.41 1nwd h VAL 108 Ca -0.11 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.40 1nwd h VAL 108 Cb 0.86 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 1nwd h VAL 108 CO 0.19 0.08 -0.19 0.24 -1.01 0.00 0.00 177.57 176.88 1nwd h MET 109 N 0.45 -0.52 -0.54 4.17 2.07 -1.51 -3.23 114.93 115.81 1nwd h MET 109 Ca 0.43 0.04 -0.03 0.00 -2.07 0.00 0.00 59.70 58.06 1nwd h MET 109 Cb 0.98 0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 30.80 1nwd h MET 109 CO -0.16 -0.34 0.23 1.15 1.07 0.00 0.00 176.91 178.86 1nwd h THR 110 N -0.55 1.19 -0.97 2.22 2.02 -0.69 -3.11 112.91 113.02 1nwd h THR 110 Ca -0.06 -0.59 0.19 0.00 0.77 0.00 0.00 66.41 66.72 1nwd h THR 110 Cb 0.42 0.53 -0.11 0.00 -1.74 0.00 0.00 68.15 67.26 1nwd h THR 110 CO 0.09 0.24 0.57 0.78 0.37 0.00 0.00 175.52 177.56 1nwd h ASN 111 N 0.77 0.71 0.70 4.18 -0.26 -1.19 -1.93 115.58 118.56 1nwd h ASN 111 Ca 0.19 0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 56.00 1nwd h ASN 111 Cb 0.13 -0.02 0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1nwd h ASN 111 CO -0.02 0.24 -0.34 -0.07 -1.06 0.00 0.00 177.43 176.18 1nwd h LEU 112 N 0.71 -0.79 0.00 1.61 3.38 -1.66 -3.49 115.31 115.06 1nwd h LEU 112 Ca 0.56 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.56 1nwd h LEU 112 Cb 0.89 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1nwd h LEU 112 CO -0.40 -0.44 0.00 0.61 0.09 0.00 0.00 178.44 178.30 1nwd n GLY 113 N -0.71 -0.12 2.48 0.83 0.00 -0.72 -5.13 105.19 101.82 1nwd n GLY 113 Ca -0.12 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 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 1.08 -1.01 1.61 0.41 -1.25 -5.05 118.70 114.49 1nwd s GLU 114 Ca 0.00 -2.17 -0.23 0.00 -0.41 0.00 0.00 54.97 52.16 1nwd s GLU 114 Cb 0.00 -1.69 0.03 0.00 -1.78 0.00 0.00 34.13 30.69 1nwd s GLU 114 CO 0.00 -1.35 1.58 0.21 -0.49 0.00 0.00 175.26 175.21 1nwd s LYS 115 N -0.00 3.38 0.01 1.61 2.36 -1.26 -4.40 119.74 121.44 1nwd s LYS 115 Ca 0.30 -0.99 0.06 0.00 -2.55 0.00 0.00 55.97 52.78 1nwd s LYS 115 Cb -0.01 -5.31 -0.02 0.00 -1.05 0.00 0.00 37.83 31.44 1nwd s LYS 115 CO -0.16 -2.48 -0.18 -0.51 1.55 0.00 0.00 175.35 173.56 1nwd s LEU 116 N 6.10 2.09 0.16 5.43 1.43 -1.26 -5.12 118.68 127.52 1nwd s LEU 116 Ca 0.52 -0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 52.90 1nwd s LEU 116 Cb -0.01 -0.90 -0.11 0.00 0.03 0.00 0.00 46.19 45.20 1nwd s LEU 116 CO -0.07 0.18 1.75 0.42 0.23 0.00 0.00 176.35 178.86 1nwd s THR 117 N -0.59 2.35 -1.97 5.49 -4.23 -1.26 -4.91 115.64 110.52 1nwd s THR 117 Ca 0.06 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 1nwd s THR 117 Cb -0.08 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1nwd s THR 117 CO 0.00 0.00 0.88 -0.90 -0.54 0.00 0.00 174.62 174.06 1nwd n ASP 118 N 4.78 0.03 -0.31 3.99 5.75 -1.26 -3.61 116.55 125.91 1nwd n ASP 118 Ca 0.16 -1.78 -0.03 0.00 -0.01 0.00 0.00 54.79 53.14 1nwd n ASP 118 Cb 0.37 -0.01 0.09 0.00 -1.03 0.00 0.00 41.12 40.53 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 1.11 -0.73 0.11 4.11 -2.00 -2.02 114.58 115.16 1nwd h GLU 119 Ca 0.00 -0.07 0.10 0.00 0.07 0.00 0.00 59.36 59.47 1nwd h GLU 119 Cb 0.01 -0.25 -0.08 0.00 0.50 0.00 0.00 28.75 28.94 1nwd h GLU 119 CO 0.00 0.73 0.36 0.93 0.07 0.00 0.00 179.01 181.10 1nwd h GLU 120 N 1.14 0.57 0.37 1.06 3.07 -1.98 -2.12 114.58 116.69 1nwd h GLU 120 Ca 0.32 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.12 1nwd h GLU 120 Cb -0.11 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.67 1nwd h GLU 120 CO -0.08 0.38 -0.18 0.28 -1.40 0.00 0.00 179.01 178.01 1nwd h VAL 121 N 0.59 0.64 -0.89 3.13 2.07 -1.65 -2.60 116.25 117.54 1nwd h VAL 121 Ca 0.37 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.94 1nwd h VAL 121 Cb 0.42 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 1nwd h VAL 121 CO -0.29 0.00 0.58 0.44 0.02 0.00 0.00 177.57 178.32 1nwd h ASP 122 N -0.50 0.88 0.83 0.57 3.32 -1.21 -1.42 116.42 118.88 1nwd h ASP 122 Ca -0.05 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1nwd h ASP 122 Cb 0.39 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1nwd h ASP 122 CO 0.08 0.56 -0.44 -0.33 -1.72 0.00 0.00 179.24 177.40 1nwd h GLU 123 N 0.99 -1.12 0.00 3.56 4.39 -1.28 -2.06 114.58 119.07 1nwd h GLU 123 Ca 0.38 0.08 -0.03 0.00 0.34 0.00 0.00 59.36 60.13 1nwd h GLU 123 Cb 0.21 0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1nwd h GLU 123 CO -0.14 -0.74 -0.12 0.00 -1.16 0.00 0.00 179.01 176.84 1nwd h MET 124 N -1.16 0.00 0.67 2.33 -0.00 -1.20 0.38 114.93 115.95 1nwd h MET 124 Ca -0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.55 1nwd h MET 124 Cb 0.90 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.51 1nwd h MET 124 CO 0.16 0.12 -0.32 0.82 -0.00 0.00 0.00 176.91 177.69 1nwd h ILE 125 N 0.00 0.00 -0.01 -0.10 2.04 -1.29 -3.30 117.51 114.85 1nwd h ILE 125 Ca -0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1nwd h ILE 125 Cb 0.36 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1nwd h ILE 125 CO 0.02 0.00 0.02 0.03 0.00 0.00 0.00 178.15 178.21 1nwd h ARG 126 N -0.96 0.00 -0.21 2.37 3.08 -0.59 -0.81 114.38 117.27 1nwd h ARG 126 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1nwd h ARG 126 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1nwd h ARG 126 CO 0.15 0.00 0.14 0.93 -1.07 0.00 0.00 179.97 180.12 1nwd h GLU 127 N 0.00 0.27 -1.94 0.04 5.08 -1.03 -3.33 114.58 113.67 1nwd h GLU 127 Ca 0.01 -0.02 -0.48 0.00 -1.00 0.00 0.00 59.36 57.87 1nwd h GLU 127 Cb 0.05 -0.06 -0.33 0.00 0.50 0.00 0.00 28.75 28.91 1nwd h GLU 127 CO -0.00 0.18 -0.87 0.00 -1.00 0.00 0.00 179.01 177.32 1nwd n ALA 128 N -2.51 1.64 -3.62 3.43 0.00 -0.36 -5.07 120.51 114.02 1nwd n ALA 128 Ca 0.00 -2.62 -0.28 0.00 0.00 0.00 0.00 53.44 50.54 1nwd n ALA 128 Cb 0.08 -0.94 -0.16 0.00 0.00 0.00 0.00 19.45 18.43 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 0.04 3.18 -0.05 0.00 -1.08 -0.86 -4.80 116.67 113.09 1nwd s ASP 129 Ca 0.33 -1.07 -0.16 0.00 -0.52 0.00 0.00 52.55 51.12 1nwd s ASP 129 Cb 0.05 -0.44 -0.11 0.00 -1.46 0.00 0.00 42.92 40.97 1nwd s ASP 129 CO -0.16 -0.39 0.66 0.40 0.52 0.00 0.00 175.17 176.20 1nwd h ILE 130 N 6.44 0.41 -0.22 4.11 2.04 -1.91 -3.36 117.51 125.02 1nwd h ILE 130 Ca -0.17 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 64.79 1nwd h ILE 130 Cb 1.07 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1nwd h ILE 130 CO 0.39 0.11 0.08 0.44 0.00 0.00 0.00 178.15 179.16 1nwd h ASP 131 N -1.00 0.09 -3.17 1.72 3.32 -1.97 -3.48 116.42 111.92 1nwd h ASP 131 Ca -0.03 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1nwd h ASP 131 Cb 0.43 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1nwd h ASP 131 CO 0.05 0.08 -0.00 0.61 -1.72 0.00 0.00 179.24 178.26 1nwd n GLY 132 N -1.17 -0.38 1.93 2.75 0.00 -1.26 -5.04 105.19 102.01 1nwd n GLY 132 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.03 0.46 -2.34 1.61 5.75 -1.26 -5.01 116.55 114.73 1nwd n ASP 133 Ca 0.00 -2.03 -0.15 0.00 -0.01 0.00 0.00 54.79 52.60 1nwd n ASP 133 Cb 0.48 -0.11 -0.01 0.00 -1.03 0.00 0.00 41.12 40.45 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 -0.17 -0.32 3.18 6.12 0.00 -1.26 -4.95 105.19 107.79 1nwd n GLY 134 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.87 1.05 -0.34 1.61 -0.21 -1.26 -3.27 119.66 112.38 1nwd s GLN 135 Ca 0.00 -1.50 -0.01 0.00 0.02 0.00 0.00 55.36 53.87 1nwd s GLN 135 Cb 0.00 0.26 0.11 0.00 1.00 0.00 0.00 33.01 34.38 1nwd s GLN 135 CO 0.00 -0.32 0.15 0.08 -2.12 0.00 0.00 175.29 173.07 1nwd s VAL 136 N -4.09 0.69 0.48 1.09 1.01 -0.97 -4.87 120.40 113.74 1nwd s VAL 136 Ca 0.29 -1.53 -0.08 0.00 0.00 0.00 0.00 61.98 60.66 1nwd s VAL 136 Cb 0.07 -1.52 0.11 0.00 0.00 0.00 0.00 36.38 35.05 1nwd s VAL 136 CO 0.06 -0.77 0.59 -0.46 0.00 0.00 0.00 175.10 174.52 1nwd n ASN 137 N 4.57 -0.30 -0.19 3.32 6.94 -1.26 -2.20 115.26 126.14 1nwd n ASN 137 Ca 0.01 -1.13 -0.08 0.00 -0.02 0.00 0.00 54.58 53.37 1nwd n ASN 137 Cb 0.40 -0.47 0.02 0.00 -2.36 0.00 0.00 39.78 37.37 1nwd n ASN 137 CO 0.00 0.00 0.00 1.88 -1.03 0.00 0.00 177.26 178.11 1nwd h TYR 138 N -1.52 0.79 0.00 -2.53 0.05 -1.98 0.13 116.97 111.90 1nwd h TYR 138 Ca -0.20 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1nwd h TYR 138 Cb 0.56 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1nwd h TYR 138 CO 0.00 0.63 0.00 0.39 -1.05 0.00 0.00 178.16 178.13 1nwd n GLU 139 N -4.56 0.04 -0.01 4.88 -0.58 -1.26 -2.09 120.64 117.07 1nwd n GLU 139 Ca 0.02 0.24 -0.01 0.00 -0.42 0.00 0.00 57.16 56.99 1nwd n GLU 139 Cb 0.13 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.50 1nwd n GLU 139 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1nwd n GLU 140 N -1.26 0.04 0.11 3.49 1.02 -0.98 -4.40 120.64 118.65 1nwd n GLU 140 Ca 0.01 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 1nwd n GLU 140 Cb 0.02 -0.97 -0.07 0.00 -0.02 0.00 0.00 31.44 30.41 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 -0.01 -0.27 -0.27 -0.32 3.57 -0.60 -0.11 116.94 118.93 1nwd h PHE 141 Ca -0.03 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1nwd h PHE 141 Cb 1.05 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1nwd h PHE 141 CO 0.00 -0.16 -0.07 0.28 -2.23 0.00 0.00 178.31 176.13 1nwd h VAL 142 N -0.25 1.28 -0.58 1.41 2.07 -1.67 -3.25 116.25 115.27 1nwd h VAL 142 Ca -0.01 -1.09 0.07 0.00 0.82 0.00 0.00 66.70 66.49 1nwd h VAL 142 Cb 0.22 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1nwd h VAL 142 CO -0.01 0.34 0.39 -0.61 0.02 0.00 0.00 177.57 177.70 1nwd h GLN 143 N 0.27 0.50 0.39 1.57 5.75 -1.70 -0.64 115.11 121.25 1nwd h GLN 143 Ca 0.07 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1nwd h GLN 143 Cb 0.54 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 1nwd h GLN 143 CO 0.03 0.33 -0.50 0.52 -2.65 0.00 0.00 178.83 176.56 1nwd h MET 144 N 0.51 -0.89 0.00 1.69 2.86 -1.04 -1.90 114.93 116.16 1nwd h MET 144 Ca 0.25 0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.91 1nwd h MET 144 Cb 0.34 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1nwd h MET 144 CO -0.07 -0.59 -0.23 0.52 1.06 0.00 0.00 176.91 177.60 1nwd h MET 145 N -0.92 0.00 -2.25 1.72 2.86 -1.59 -3.30 114.93 111.44 1nwd h MET 145 Ca -0.05 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 56.99 1nwd h MET 145 Cb 0.83 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 32.07 1nwd h MET 145 CO -0.12 0.23 -0.54 2.41 1.06 0.00 0.00 176.91 179.95 1nwd n THR 146 N -3.53 2.81 -3.02 2.22 -1.04 -0.28 -5.04 114.28 106.40 1nwd n THR 146 Ca -0.01 -5.40 -0.44 0.00 -2.04 0.00 0.00 64.05 56.15 1nwd n THR 146 Cb 0.38 -1.81 -0.03 0.00 -1.82 0.00 0.00 70.33 67.04 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 -2.92 3.45 -2.00 2.41 0.00 -0.73 -4.54 121.76 117.42 1nwd s ALA 147 Ca 0.43 -2.60 0.32 0.00 0.00 0.00 0.00 51.96 50.11 1nwd s ALA 147 Cb 0.20 -3.83 1.89 0.00 0.00 0.00 0.00 23.12 21.39 1nwd s ALA 147 CO -0.06 -2.71 2.21 1.17 0.00 0.00 0.00 175.76 176.38