#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwd n ASP 2 N 0.00 0.00 -4.84 0.00 2.03 -1.26 -4.91 116.55 107.57 1nwd n ASP 2 Ca 0.00 0.31 -0.30 0.00 0.52 0.00 0.00 54.79 55.32 1nwd n ASP 2 Cb 0.00 -0.12 0.07 0.00 -0.72 0.00 0.00 41.12 40.35 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 -0.70 2.45 0.09 -0.67 0.00 -1.26 -5.11 119.66 114.46 1nwd s GLN 3 Ca 0.00 0.57 0.04 0.00 -0.00 0.00 0.00 55.36 55.97 1nwd s GLN 3 Cb 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 33.01 31.01 1nwd s GLN 3 CO 0.00 -1.35 -0.12 -0.51 0.00 0.00 0.00 175.29 173.31 1nwd s LEU 4 N -5.59 2.35 0.43 2.60 1.02 -1.26 -5.15 118.68 113.07 1nwd s LEU 4 Ca 0.60 -0.72 -0.23 0.00 0.02 0.00 0.00 54.13 53.79 1nwd s LEU 4 Cb -0.13 -0.40 -0.08 0.00 0.02 0.00 0.00 46.19 45.60 1nwd s LEU 4 CO 0.53 -0.18 1.09 -0.89 0.02 0.00 0.00 176.35 176.92 1nwd s THR 5 N -1.90 3.52 -0.83 5.49 2.01 -1.26 -4.95 115.64 117.72 1nwd s THR 5 Ca 0.02 1.13 0.09 0.00 0.31 0.00 0.00 61.69 63.24 1nwd s THR 5 Cb -0.06 -3.57 0.08 0.00 0.01 0.00 0.00 72.50 68.96 1nwd s THR 5 CO 0.01 -0.02 1.28 -1.84 -0.69 0.00 0.00 174.62 173.36 1nwd n GLU 6 N -0.28 0.04 -0.13 4.92 0.28 -1.26 -3.29 120.64 120.91 1nwd n GLU 6 Ca 0.06 0.46 -0.04 0.00 -0.16 0.00 0.00 57.16 57.47 1nwd n GLU 6 Cb 0.49 -1.61 0.02 0.00 1.43 0.00 0.00 31.44 31.78 1nwd n GLU 6 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1nwd h GLU 7 N 0.00 -0.02 -0.99 3.44 4.81 -2.00 -2.74 114.58 117.08 1nwd h GLU 7 Ca 0.00 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.39 1nwd h GLU 7 Cb 0.09 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.38 1nwd h GLU 7 CO 0.00 -0.01 0.61 0.37 -0.73 0.00 0.00 179.01 179.25 1nwd h GLN 8 N -0.02 0.83 -0.13 1.92 4.15 -1.97 -0.94 115.11 118.97 1nwd h GLN 8 Ca 0.21 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 1nwd h GLN 8 Cb 0.33 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1nwd h GLN 8 CO -0.45 0.55 0.06 0.82 -1.93 0.00 0.00 178.83 177.89 1nwd h ILE 9 N 0.86 1.11 -0.92 2.39 2.04 -1.73 -2.76 117.51 118.49 1nwd h ILE 9 Ca 0.53 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 1nwd h ILE 9 Cb 0.70 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1nwd h ILE 9 CO -0.33 0.10 0.56 0.00 0.00 0.00 0.00 178.15 178.48 1nwd h ALA 10 N 0.94 1.17 0.05 1.87 0.00 -1.09 -0.39 119.26 121.80 1nwd h ALA 10 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nwd h ALA 10 Cb 0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1nwd h ALA 10 CO -0.01 0.63 -0.13 0.93 0.00 0.00 0.00 179.25 180.67 1nwd h GLU 11 N 1.27 -0.24 -0.77 0.00 4.39 -1.26 -2.00 114.58 115.97 1nwd h GLU 11 Ca 0.33 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.05 1nwd h GLU 11 Cb -0.06 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 1nwd h GLU 11 CO -0.06 -0.16 0.49 0.74 -1.16 0.00 0.00 179.01 178.85 1nwd h PHE 12 N -0.25 0.99 -0.03 4.33 0.04 -1.18 -1.96 116.94 118.89 1nwd h PHE 12 Ca 0.03 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.83 1nwd h PHE 12 Cb 0.28 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 1nwd h PHE 12 CO -0.16 0.65 -0.07 -0.22 -0.60 0.00 0.00 178.31 177.91 1nwd h LYS 13 N 1.05 -0.10 0.16 1.51 3.64 -0.95 -1.39 116.57 120.49 1nwd h LYS 13 Ca 0.28 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1nwd h LYS 13 Cb -0.08 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1nwd h LYS 13 CO -0.06 -0.07 -0.21 1.49 -2.27 0.00 0.00 179.45 178.34 1nwd h GLU 14 N -0.10 -0.41 -0.88 1.90 4.22 -1.26 -1.38 114.58 116.67 1nwd h GLU 14 Ca 0.04 0.03 0.03 0.00 0.08 0.00 0.00 59.36 59.53 1nwd h GLU 14 Cb 0.15 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1nwd h GLU 14 CO -0.09 -0.27 0.57 0.00 -2.18 0.00 0.00 179.01 177.04 1nwd h ALA 15 N 0.34 1.15 -0.10 2.92 0.00 -1.19 0.12 119.26 122.49 1nwd h ALA 15 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nwd h ALA 15 Cb 0.42 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1nwd h ALA 15 CO -0.09 0.45 0.02 0.35 0.00 0.00 0.00 179.25 179.98 1nwd h PHE 16 N 1.13 0.17 -0.46 0.00 3.57 -1.25 -3.26 116.94 116.84 1nwd h PHE 16 Ca 0.34 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 1nwd h PHE 16 Cb -0.04 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1nwd h PHE 16 CO -0.02 0.35 0.28 1.03 -2.23 0.00 0.00 178.31 177.73 1nwd h SER 17 N -0.06 0.54 0.25 0.41 0.87 -0.51 -0.98 113.55 114.08 1nwd h SER 17 Ca 0.03 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1nwd h SER 17 Cb 0.27 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1nwd h SER 17 CO 0.00 0.42 -0.37 0.25 -0.53 0.00 0.00 176.83 176.60 1nwd h LEU 18 N 0.63 -1.03 -0.44 2.23 5.85 -1.04 -2.95 115.31 118.57 1nwd h LEU 18 Ca 0.17 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1nwd h LEU 18 Cb -0.03 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1nwd h LEU 18 CO -0.03 -0.48 0.14 -0.26 -0.34 0.00 0.00 178.44 177.47 1nwd h PHE 19 N -0.68 0.71 -0.16 1.25 -1.00 -1.59 -3.34 116.94 112.12 1nwd h PHE 19 Ca -0.00 -0.07 -0.66 0.00 2.81 0.00 0.00 57.97 60.05 1nwd h PHE 19 Cb 0.65 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 1nwd h PHE 19 CO -0.26 0.64 2.60 -3.47 -1.61 0.00 0.00 178.31 176.21 1nwd n ASP 20 N -4.56 3.58 -0.22 2.17 2.03 -0.39 -4.73 116.55 114.43 1nwd n ASP 20 Ca 0.00 -2.80 -0.04 0.00 0.52 0.00 0.00 54.79 52.48 1nwd n ASP 20 Cb 0.18 -1.52 0.06 0.00 -0.72 0.00 0.00 41.12 39.12 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 7.06 0.74 -0.10 -0.67 1.79 -1.70 -3.14 116.57 120.55 1nwd h LYS 21 Ca 0.48 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.94 1nwd h LYS 21 Cb 0.71 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.16 1nwd h LYS 21 CO 1.80 0.49 -0.07 -0.44 -1.08 0.00 0.00 179.45 180.14 1nwd h ASP 22 N 0.76 -0.22 0.00 0.86 5.19 -1.91 -3.48 116.42 117.61 1nwd h ASP 22 Ca 0.25 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 1nwd h ASP 22 Cb 0.03 0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1nwd h ASP 22 CO -0.11 -0.10 0.00 0.61 -3.12 0.00 0.00 179.24 176.53 1nwd n GLY 23 N -1.20 2.34 0.23 2.75 0.00 -1.19 -4.99 105.19 103.13 1nwd n GLY 23 Ca -0.04 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 1.66 0.08 0.00 1.61 2.03 -1.93 -3.47 116.42 116.40 1nwd h ASP 24 Ca 0.00 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1nwd h ASP 24 Cb 0.00 0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.62 1nwd h ASP 24 CO 0.00 0.05 0.00 0.61 -1.03 0.00 0.00 179.24 178.87 1nwd n GLY 25 N -1.31 0.68 2.76 7.15 0.00 -1.26 -5.06 105.19 108.14 1nwd n GLY 25 Ca 0.09 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.82 -0.36 -1.27 2.61 -4.23 -1.26 -4.13 115.64 106.17 1nwd s THR 26 Ca 0.00 -0.75 -0.19 0.00 -1.18 0.00 0.00 61.69 59.57 1nwd s THR 26 Cb 0.00 -0.85 0.02 0.00 1.34 0.00 0.00 72.50 73.01 1nwd s THR 26 CO 0.00 -0.53 1.87 -0.38 -0.54 0.00 0.00 174.62 175.04 1nwd n ILE 27 N 4.78 3.34 -1.49 2.99 5.41 -1.24 -4.89 119.36 128.25 1nwd n ILE 27 Ca 0.05 -3.36 -0.29 0.00 1.00 0.00 0.00 62.75 60.14 1nwd n ILE 27 Cb 0.46 -2.35 0.18 0.00 -0.71 0.00 0.00 39.64 37.21 1nwd n ILE 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1nwd s THR 28 N 5.47 1.88 0.15 1.39 -1.32 -1.26 -4.12 115.64 117.82 1nwd s THR 28 Ca 0.56 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.76 1nwd s THR 28 Cb 0.05 -2.73 -0.03 0.00 -1.51 0.00 0.00 72.50 68.28 1nwd s THR 28 CO 0.07 0.00 1.57 0.71 -2.21 0.00 0.00 174.62 174.76 1nwd h THR 29 N -1.88 0.09 -0.46 5.08 1.35 -1.90 -1.36 112.91 113.84 1nwd h THR 29 Ca -0.47 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.48 1nwd h THR 29 Cb 1.29 0.09 -0.10 0.00 -1.73 0.00 0.00 68.15 67.71 1nwd h THR 29 CO 0.47 0.00 -0.25 0.50 -0.25 0.00 0.00 175.52 175.99 1nwd h LYS 30 N -0.37 -0.14 -0.23 4.72 1.63 -1.97 -1.14 116.57 119.06 1nwd h LYS 30 Ca 0.12 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 1nwd h LYS 30 Cb 0.60 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1nwd h LYS 30 CO -0.55 -0.10 0.09 1.49 -3.45 0.00 0.00 179.45 176.93 1nwd h GLU 31 N -0.15 0.35 -0.23 1.90 4.81 -1.84 -1.98 114.58 117.44 1nwd h GLU 31 Ca 0.21 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1nwd h GLU 31 Cb 0.49 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1nwd h GLU 31 CO -0.55 0.42 0.12 1.25 -0.73 0.00 0.00 179.01 179.51 1nwd h LEU 32 N 0.22 0.18 -0.78 1.64 7.12 -0.98 -2.42 115.31 120.29 1nwd h LEU 32 Ca 0.08 0.01 0.16 0.00 0.13 0.00 0.00 57.88 58.25 1nwd h LEU 32 Cb 0.20 -0.03 -0.10 0.00 -0.53 0.00 0.00 40.66 40.20 1nwd h LEU 32 CO -0.00 0.14 0.30 1.23 -0.13 0.00 0.00 178.44 179.97 1nwd h GLY 33 N 0.25 1.19 0.96 3.75 0.00 -1.11 -2.61 103.07 105.50 1nwd h GLY 33 Ca 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.30 1nwd h GLY 33 CO -0.06 -0.14 0.19 -0.84 0.00 0.00 0.00 176.54 175.68 1nwd h THR 34 N 0.41 1.05 -0.03 4.70 2.02 -0.87 0.26 112.91 120.46 1nwd h THR 34 Ca 0.44 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.51 1nwd h THR 34 Cb 0.71 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1nwd h THR 34 CO -0.44 0.07 -0.12 0.58 0.37 0.00 0.00 175.52 175.97 1nwd h VAL 35 N 0.38 0.68 -0.65 3.16 2.07 -1.24 -0.72 116.25 119.93 1nwd h VAL 35 Ca 0.12 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.71 1nwd h VAL 35 Cb -0.02 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 1nwd h VAL 35 CO -0.04 0.00 0.33 0.24 0.02 0.00 0.00 177.57 178.11 1nwd h MET 36 N -0.20 0.57 0.28 1.57 2.86 -1.37 -2.76 114.93 115.88 1nwd h MET 36 Ca 0.05 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1nwd h MET 36 Cb 0.27 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1nwd h MET 36 CO -0.14 0.38 -0.15 -0.09 1.06 0.00 0.00 176.91 177.96 1nwd h ARG 37 N 0.59 -0.39 -0.40 1.72 9.65 -0.42 -1.27 114.38 123.86 1nwd h ARG 37 Ca 0.31 0.03 0.07 0.00 -1.10 0.00 0.00 59.98 59.28 1nwd h ARG 37 Cb 0.27 0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.88 1nwd h ARG 37 CO -0.22 -0.26 0.04 0.77 2.80 0.00 0.00 179.97 183.10 1nwd h SER 38 N -0.40 -0.07 -0.25 -3.80 0.02 -1.08 -1.30 113.55 106.67 1nwd h SER 38 Ca -0.03 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1nwd h SER 38 Cb 0.32 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1nwd h SER 38 CO 0.05 -0.00 0.12 -0.07 -1.14 0.00 0.00 176.83 175.78 1nwd h LEU 39 N 0.16 0.32 0.00 5.07 3.38 -1.43 -3.45 115.31 119.36 1nwd h LEU 39 Ca 0.20 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1nwd h LEU 39 Cb 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1nwd h LEU 39 CO -0.29 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1nwd n GLY 40 N -0.86 -1.87 1.04 0.83 0.00 -0.49 -5.12 105.19 98.72 1nwd n GLY 40 Ca -0.03 0.86 0.13 0.00 0.00 0.00 0.00 46.02 46.98 1nwd n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nwd n GLN 41 N 0.00 -2.28 -3.68 1.61 6.02 -0.53 -4.83 117.38 113.69 1nwd n GLN 41 Ca 0.00 1.72 -0.10 0.00 -0.01 0.00 0.00 57.00 58.61 1nwd n GLN 41 Cb 0.00 -2.71 -0.09 0.00 1.02 0.00 0.00 30.24 28.45 1nwd n GLN 41 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1nwd s ASN 42 N -6.59 -0.63 0.00 1.08 2.47 -1.26 -3.68 114.94 106.33 1nwd s ASN 42 Ca 0.00 1.08 0.00 0.00 0.42 0.00 0.00 52.86 54.36 1nwd s ASN 42 Cb 0.00 0.99 0.00 0.00 -1.45 0.00 0.00 41.25 40.79 1nwd s ASN 42 CO 0.00 -0.20 0.00 -2.65 -3.72 0.00 0.00 177.10 170.53 1nwd n PRO 43 N 3.97 2.48 -1.32 0.43 -0.02 -1.26 -5.01 135.00 134.26 1nwd n PRO 43 Ca -0.20 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.95 1nwd n PRO 43 Cb 0.56 0.00 0.10 0.00 -0.02 0.00 0.00 33.50 34.14 1nwd n PRO 43 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1nwd s THR 44 N 0.00 2.63 0.06 3.45 2.01 -1.26 -5.00 115.64 117.52 1nwd s THR 44 Ca 0.00 0.27 -0.15 0.00 0.31 0.00 0.00 61.69 62.12 1nwd s THR 44 Cb 0.00 -2.70 -0.27 0.00 0.01 0.00 0.00 72.50 69.54 1nwd s THR 44 CO 0.00 -0.21 1.13 -0.33 -0.69 0.00 0.00 174.62 174.52 1nwd h GLU 45 N -0.68 0.64 -0.61 4.92 4.39 -2.01 -3.29 114.58 117.95 1nwd h GLU 45 Ca -0.46 -0.79 0.13 0.00 0.34 0.00 0.00 59.36 58.58 1nwd h GLU 45 Cb 1.27 0.25 -0.11 0.00 -0.10 0.00 0.00 28.75 30.06 1nwd h GLU 45 CO 0.49 1.35 -0.07 0.00 -1.16 0.00 0.00 179.01 179.62 1nwd h ALA 46 N 0.32 0.51 -0.23 3.43 0.00 -2.00 -1.98 119.26 119.30 1nwd h ALA 46 Ca -0.16 0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1nwd h ALA 46 Cb 1.81 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 19.93 1nwd h ALA 46 CO 0.22 -0.41 -0.13 0.93 0.00 0.00 0.00 179.25 179.86 1nwd h GLU 47 N 0.06 -0.10 -0.56 0.00 4.39 -1.97 -1.48 114.58 114.92 1nwd h GLU 47 Ca 0.31 0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.13 1nwd h GLU 47 Cb 0.49 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.06 1nwd h GLU 47 CO -0.57 -0.07 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.11 1nwd h LEU 48 N -0.10 -0.31 0.22 1.33 3.38 -1.43 -2.05 115.31 116.35 1nwd h LEU 48 Ca 0.13 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1nwd h LEU 48 Cb 0.30 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1nwd h LEU 48 CO -0.30 -0.12 -0.11 -0.61 0.09 0.00 0.00 178.44 177.40 1nwd h GLN 49 N 0.09 -0.29 -0.67 1.13 4.15 -1.20 -3.29 115.11 115.02 1nwd h GLN 49 Ca 0.28 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.82 1nwd h GLN 49 Cb 0.44 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.13 1nwd h GLN 49 CO -0.50 -0.08 0.30 -0.44 -1.93 0.00 0.00 178.83 176.18 1nwd h ASP 50 N -0.46 0.34 -0.11 -0.69 3.32 -0.87 -1.34 116.42 116.61 1nwd h ASP 50 Ca -0.03 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.13 1nwd h ASP 50 Cb 0.35 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 1nwd h ASP 50 CO 0.05 0.19 -0.17 0.24 -1.72 0.00 0.00 179.24 177.83 1nwd h MET 51 N 0.50 -0.22 -0.25 3.56 2.86 -1.45 -2.25 114.93 117.68 1nwd h MET 51 Ca 0.34 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.96 1nwd h MET 51 Cb 0.40 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1nwd h MET 51 CO -0.30 -0.14 0.02 0.82 1.06 0.00 0.00 176.91 178.37 1nwd h ILE 52 N -0.22 1.24 0.00 -1.22 1.08 -1.58 -3.06 117.51 113.74 1nwd h ILE 52 Ca 0.09 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 1nwd h ILE 52 Cb 0.36 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.41 1nwd h ILE 52 CO -0.25 0.27 0.00 0.59 -0.69 0.00 0.00 178.15 178.07 1nwd n ASN 53 N -4.66 1.22 0.03 1.72 3.02 -0.52 -2.01 115.26 114.05 1nwd n ASN 53 Ca -0.03 -1.69 -0.12 0.00 -0.03 0.00 0.00 54.58 52.71 1nwd n ASN 53 Cb 0.22 -0.42 -0.09 0.00 -0.61 0.00 0.00 39.78 38.88 1nwd n ASN 53 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1nwd h GLU 54 N 0.19 -0.11 0.00 3.52 4.81 -1.30 -3.40 114.58 118.28 1nwd h GLU 54 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1nwd h GLU 54 Cb 0.51 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1nwd h GLU 54 CO 0.00 0.36 -0.87 0.28 -0.73 0.00 0.00 179.01 178.05 1nwd n VAL 55 N -4.90 0.00 -1.98 0.32 0.31 -1.05 -4.90 118.33 106.13 1nwd n VAL 55 Ca -0.08 -0.25 -0.33 0.00 -0.01 0.00 0.00 64.34 63.67 1nwd n VAL 55 Cb 0.27 0.73 -0.04 0.00 -0.91 0.00 0.00 33.84 33.89 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 -2.48 5.09 0.09 4.52 2.15 -0.85 -4.36 116.67 120.82 1nwd s ASP 56 Ca 0.01 0.02 -0.30 0.00 0.43 0.00 0.00 52.55 52.71 1nwd s ASP 56 Cb 0.08 -2.54 -0.15 0.00 -0.30 0.00 0.00 42.92 40.01 1nwd s ASP 56 CO 0.45 -2.63 1.64 0.00 -0.17 0.00 0.00 175.17 174.47 1nwd h ALA 57 N 13.92 -0.68 -0.93 3.66 0.00 -1.90 -1.99 119.26 131.33 1nwd h ALA 57 Ca -0.12 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.76 1nwd h ALA 57 Cb 1.11 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 1nwd h ALA 57 CO 1.20 -0.90 0.58 0.38 0.00 0.00 0.00 179.25 180.51 1nwd h ASP 58 N -0.68 0.87 -2.12 0.00 2.03 -1.89 -3.48 116.42 111.16 1nwd h ASP 58 Ca -0.04 0.03 -0.07 0.00 -0.73 0.00 0.00 57.03 56.23 1nwd h ASP 58 Cb 0.57 -0.14 0.03 0.00 -0.83 0.00 0.00 39.33 38.96 1nwd h ASP 58 CO 0.03 0.51 -0.13 0.61 -1.03 0.00 0.00 179.24 179.23 1nwd n GLY 59 N -1.34 0.56 0.10 7.15 0.00 -0.75 -4.98 105.19 105.93 1nwd n GLY 59 Ca 0.16 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.83 1nwd n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1nwd h ASN 60 N -0.44 0.00 0.00 1.61 -0.26 -1.92 -3.49 115.58 111.08 1nwd h ASN 60 Ca -0.10 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.56 1nwd h ASN 60 Cb 1.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.32 1nwd h ASN 60 CO 0.10 0.04 0.00 0.61 -1.06 0.00 0.00 177.43 177.12 1nwd n GLY 61 N 1.29 2.74 3.74 2.83 0.00 -1.26 -5.03 105.19 109.51 1nwd n GLY 61 Ca 0.04 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 2.00 -0.49 2.61 -4.23 -1.26 -4.70 115.64 109.58 1nwd s THR 62 Ca 0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 1nwd s THR 62 Cb 0.00 -3.00 0.09 0.00 1.34 0.00 0.00 72.50 70.93 1nwd s THR 62 CO 0.00 0.00 0.42 -0.51 -0.54 0.00 0.00 174.62 173.99 1nwd s ILE 63 N 0.35 5.11 1.00 2.99 1.10 -1.26 -4.96 121.20 125.53 1nwd s ILE 63 Ca 0.67 -1.26 -0.16 0.00 -0.51 0.00 0.00 60.65 59.40 1nwd s ILE 63 Cb -0.49 -4.14 0.20 0.00 0.15 0.00 0.00 42.46 38.18 1nwd s ILE 63 CO 0.44 -0.68 1.21 -0.62 -2.11 0.00 0.00 174.94 173.18 1nwd s ASP 64 N 2.89 2.74 0.12 4.50 2.15 -1.26 -3.60 116.67 124.22 1nwd s ASP 64 Ca 0.04 0.57 -0.26 0.00 0.43 0.00 0.00 52.55 53.33 1nwd s ASP 64 Cb -0.26 -0.82 -0.06 0.00 -0.30 0.00 0.00 42.92 41.48 1nwd s ASP 64 CO 0.05 -2.99 1.64 0.15 -0.17 0.00 0.00 175.17 173.85 1nwd h PHE 65 N -1.81 -0.67 -0.28 -5.34 3.04 -1.98 -1.61 116.94 108.28 1nwd h PHE 65 Ca -0.46 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.51 1nwd h PHE 65 Cb 1.28 0.29 -0.01 0.00 2.56 0.00 0.00 35.95 40.07 1nwd h PHE 65 CO -0.95 -0.34 0.17 -1.35 -2.02 0.00 0.00 178.31 173.81 1nwd h PRO 66 N -0.40 0.39 -0.87 6.41 0.11 -1.97 -3.27 132.00 132.40 1nwd h PRO 66 Ca 0.06 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.17 1nwd h PRO 66 Cb 0.47 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 31.45 1nwd h PRO 66 CO -0.21 0.31 0.56 0.93 -0.21 0.00 0.00 178.00 179.38 1nwd h GLU 67 N 0.36 1.02 0.41 1.05 5.08 -1.85 -1.93 114.58 118.72 1nwd h GLU 67 Ca 0.10 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1nwd h GLU 67 Cb 0.02 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1nwd h GLU 67 CO -0.02 0.68 -0.20 0.35 -1.00 0.00 0.00 179.01 178.82 1nwd h PHE 68 N 1.06 -0.51 -0.80 4.33 3.04 -1.35 -1.27 116.94 121.43 1nwd h PHE 68 Ca 0.36 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.26 1nwd h PHE 68 Cb 0.07 0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.71 1nwd h PHE 68 CO -0.02 -0.19 0.34 1.37 -2.02 0.00 0.00 178.31 177.79 1nwd h LEU 69 N -0.88 1.09 -0.66 0.59 8.10 -1.62 -2.25 115.31 119.68 1nwd h LEU 69 Ca -0.06 -0.16 0.09 0.00 0.11 0.00 0.00 57.88 57.87 1nwd h LEU 69 Cb 0.56 -0.28 -0.07 0.00 -0.44 0.00 0.00 40.66 40.42 1nwd h LEU 69 CO 0.09 0.95 0.29 0.74 -4.11 0.00 0.00 178.44 176.40 1nwd h THR 70 N 1.16 0.81 -0.82 0.15 2.02 -1.40 -2.54 112.91 112.30 1nwd h THR 70 Ca 0.27 -0.17 0.18 0.00 0.77 0.00 0.00 66.41 67.45 1nwd h THR 70 Cb 0.18 0.26 -0.15 0.00 -1.74 0.00 0.00 68.15 66.70 1nwd h THR 70 CO -0.03 0.09 -0.13 -0.03 0.37 0.00 0.00 175.52 175.79 1nwd h MET 71 N 0.51 0.02 0.06 6.66 4.05 -0.59 0.55 114.93 126.19 1nwd h MET 71 Ca 0.33 -0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.52 1nwd h MET 71 Cb 0.37 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1nwd h MET 71 CO -0.28 0.02 -1.19 0.52 0.23 0.00 0.00 176.91 176.20 1nwd h MET 72 N 0.02 0.12 0.05 0.39 2.86 -1.65 -3.40 114.93 113.33 1nwd h MET 72 Ca 0.42 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1nwd h MET 72 Cb 0.69 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.43 1nwd h MET 72 CO -0.81 1.10 -0.02 0.00 1.06 0.00 0.00 176.91 178.24 1nwd h ALA 73 N -0.19 -0.20 0.00 6.32 0.00 -1.08 -3.45 119.26 120.66 1nwd h ALA 73 Ca -0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1nwd h ALA 73 Cb 1.51 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1nwd h ALA 73 CO -0.04 -0.20 -0.73 0.54 0.00 0.00 0.00 179.25 178.82 1nwd n ARG 74 N -2.80 0.48 0.00 0.00 3.00 -0.52 -4.94 116.66 111.89 1nwd n ARG 74 Ca -0.01 0.41 0.00 0.00 -0.01 0.00 0.00 57.85 58.24 1nwd n ARG 74 Cb 0.03 -1.60 0.00 0.00 0.00 0.00 0.00 32.46 30.89 1nwd n ARG 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1nwd n LYS 75 N -4.55 0.00 -1.60 5.56 4.81 0.07 -3.57 118.16 118.88 1nwd n LYS 75 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1nwd n LYS 75 Cb 0.37 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.42 1nwd n LYS 75 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1nwd n MET 76 N 1.70 -4.46 -2.51 1.64 2.81 -1.26 -4.51 117.12 110.52 1nwd n MET 76 Ca 0.00 3.37 -0.40 0.00 -1.81 0.00 0.00 57.70 58.86 1nwd n MET 76 Cb 0.00 -3.93 -0.03 0.00 -0.71 0.00 0.00 33.22 28.56 1nwd n MET 76 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1nwd s LYS 77 N -4.29 3.58 0.17 0.03 2.20 -1.26 -4.68 119.74 115.49 1nwd s LYS 77 Ca 0.00 -1.28 0.02 0.00 -0.36 0.00 0.00 55.97 54.36 1nwd s LYS 77 Cb 0.00 -5.38 -0.01 0.00 -1.51 0.00 0.00 37.83 30.93 1nwd s LYS 77 CO 0.00 -2.36 0.17 -0.25 -0.36 0.00 0.00 175.35 172.56 1nwd n ASP 78 N 9.29 -0.46 0.00 1.43 8.00 -1.26 -4.83 116.55 128.71 1nwd n ASP 78 Ca 0.38 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.83 1nwd n ASP 78 Cb 0.49 0.98 0.00 0.00 -0.02 0.00 0.00 41.12 42.57 1nwd n ASP 78 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1nwd n THR 79 N -0.31 0.00 -1.75 -3.53 -2.24 -1.26 -4.16 114.28 101.04 1nwd n THR 79 Ca 0.03 0.93 -0.40 0.00 -2.27 0.00 0.00 64.05 62.34 1nwd n THR 79 Cb 0.30 -1.91 -0.01 0.00 -2.10 0.00 0.00 70.33 66.61 1nwd n THR 79 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1nwd n ASP 80 N -1.93 7.99 -0.08 3.42 8.00 -1.26 -4.77 116.55 127.92 1nwd n ASP 80 Ca 0.00 -2.91 -0.09 0.00 0.71 0.00 0.00 54.79 52.50 1nwd n ASP 80 Cb 0.00 -1.45 -0.02 0.00 -0.02 0.00 0.00 41.12 39.63 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 4.87 0.29 0.20 -2.24 0.02 -1.81 -3.01 113.55 111.88 1nwd h SER 81 Ca 0.75 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.67 1nwd h SER 81 Cb 0.33 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1nwd h SER 81 CO 1.62 0.21 -0.11 1.05 -1.14 0.00 0.00 176.83 178.47 1nwd h GLU 82 N 0.36 0.00 0.00 3.45 4.11 -1.79 -3.01 114.58 117.70 1nwd h GLU 82 Ca 0.11 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.54 1nwd h GLU 82 Cb -0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1nwd h GLU 82 CO -0.04 0.11 -0.02 0.93 0.07 0.00 0.00 179.01 180.05 1nwd h GLU 83 N 0.00 0.00 -0.37 1.06 4.39 -1.79 -2.52 114.58 115.35 1nwd h GLU 83 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1nwd h GLU 83 Cb 0.23 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1nwd h GLU 83 CO 0.01 0.02 -0.08 0.93 -1.16 0.00 0.00 179.01 178.73 1nwd h GLU 84 N 0.00 0.71 0.52 2.33 3.07 -1.70 0.39 114.58 119.90 1nwd h GLU 84 Ca -0.00 -0.27 -0.02 0.00 -0.50 0.00 0.00 59.36 58.57 1nwd h GLU 84 Cb 0.04 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1nwd h GLU 84 CO 0.00 0.86 -0.33 0.82 -1.40 0.00 0.00 179.01 178.96 1nwd h ILE 85 N 0.51 0.32 -0.57 3.13 1.08 -1.62 -2.73 117.51 117.63 1nwd h ILE 85 Ca 0.09 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.63 1nwd h ILE 85 Cb 0.59 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 1nwd h ILE 85 CO 0.04 0.00 0.38 0.03 -0.69 0.00 0.00 178.15 177.91 1nwd h ARG 86 N -0.82 0.50 0.58 2.37 3.08 -1.37 0.60 114.38 119.33 1nwd h ARG 86 Ca -0.06 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1nwd h ARG 86 Cb 0.67 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.61 1nwd h ARG 86 CO 0.06 0.33 -0.28 1.49 -1.07 0.00 0.00 179.97 180.50 1nwd h GLU 87 N 0.52 -0.76 0.00 0.04 4.22 -0.89 -1.47 114.58 116.25 1nwd h GLU 87 Ca 0.25 0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.73 1nwd h GLU 87 Cb 0.32 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1nwd h GLU 87 CO -0.07 -0.46 -0.07 0.00 -2.18 0.00 0.00 179.01 176.23 1nwd h ALA 88 N -0.59 1.48 -0.26 2.92 0.00 -1.12 -2.19 119.26 119.51 1nwd h ALA 88 Ca -0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1nwd h ALA 88 Cb 0.65 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1nwd h ALA 88 CO 0.13 0.09 -0.11 0.35 0.00 0.00 0.00 179.25 179.70 1nwd h PHE 89 N 0.00 0.61 -0.88 0.00 3.04 -0.75 -2.71 116.94 116.25 1nwd h PHE 89 Ca -0.00 -0.15 0.01 0.00 3.98 0.00 0.00 57.97 61.81 1nwd h PHE 89 Cb 0.17 -0.14 -0.04 0.00 2.56 0.00 0.00 35.95 38.49 1nwd h PHE 89 CO 0.00 0.78 0.58 0.00 -2.02 0.00 0.00 178.31 177.65 1nwd h ARG 90 N 0.26 1.16 -0.48 1.11 2.47 -0.68 0.40 114.38 118.62 1nwd h ARG 90 Ca 0.06 -0.07 0.05 0.00 -1.26 0.00 0.00 59.98 58.75 1nwd h ARG 90 Cb 0.62 -0.26 -0.04 0.00 -1.65 0.00 0.00 29.97 28.63 1nwd h ARG 90 CO 0.04 0.77 0.23 0.28 0.56 0.00 0.00 179.97 181.85 1nwd h VAL 91 N 1.19 0.94 0.10 2.04 2.07 -1.39 -3.33 116.25 117.88 1nwd h VAL 91 Ca 0.32 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1nwd h VAL 91 Cb -0.13 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1nwd h VAL 91 CO -0.07 0.08 -0.05 -0.26 0.02 0.00 0.00 177.57 177.29 1nwd h PHE 92 N 0.45 -0.13 -2.73 1.57 -1.00 -1.19 -3.45 116.94 110.46 1nwd h PHE 92 Ca 0.22 -0.00 -0.53 0.00 2.81 0.00 0.00 57.97 60.46 1nwd h PHE 92 Cb 0.15 0.04 0.03 0.00 3.61 0.00 0.00 35.95 39.77 1nwd h PHE 92 CO -0.11 -0.08 0.96 -0.51 -1.61 0.00 0.00 178.31 176.96 1nwd s ASP 93 N -3.32 6.61 0.00 2.17 1.11 0.11 -4.79 116.67 118.55 1nwd s ASP 93 Ca -0.02 2.51 0.17 0.00 0.18 0.00 0.00 52.55 55.39 1nwd s ASP 93 Cb 0.00 -2.57 0.84 0.00 1.07 0.00 0.00 42.92 42.26 1nwd s ASP 93 CO 0.06 -0.86 1.56 0.29 1.18 0.00 0.00 175.17 177.40 1nwd n LYS 94 N 5.15 1.24 0.00 8.23 4.76 -1.26 -4.42 118.16 131.87 1nwd n LYS 94 Ca 0.15 -0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 1nwd n LYS 94 Cb 0.40 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 1nwd n LYS 94 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1nwd n ASP 95 N -0.39 -0.04 -1.35 4.39 5.75 -1.26 -5.14 116.55 118.51 1nwd n ASP 95 Ca 0.13 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 1nwd n ASP 95 Cb 0.14 0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 0.42 -1.38 0.70 6.12 0.00 -1.26 -5.04 105.19 104.75 1nwd n GLY 96 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.27 1.93 -3.59 1.61 6.94 -1.26 -4.97 115.26 115.65 1nwd n ASN 97 Ca 0.00 -3.83 -0.20 0.00 -0.02 0.00 0.00 54.58 50.52 1nwd n ASN 97 Cb 0.00 -0.55 0.06 0.00 -2.36 0.00 0.00 39.78 36.93 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 -1.13 -0.36 3.14 4.83 0.00 -1.26 -4.98 105.19 105.43 1nwd n GLY 98 Ca 0.22 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.47 -0.38 -0.37 1.61 2.02 -1.25 -4.16 117.35 111.35 1nwd s TYR 99 Ca 0.12 0.22 -0.20 0.00 -0.37 0.00 0.00 57.07 56.84 1nwd s TYR 99 Cb -0.06 0.07 0.00 0.00 -0.40 0.00 0.00 41.96 41.57 1nwd s TYR 99 CO 0.77 -0.23 0.59 0.42 -1.57 0.00 0.00 175.55 175.53 1nwd s ILE 100 N 2.94 4.93 0.47 2.71 1.01 -0.78 -4.73 121.20 127.75 1nwd s ILE 100 Ca 0.29 0.41 -0.22 0.00 0.00 0.00 0.00 60.65 61.13 1nwd s ILE 100 Cb -0.01 -4.05 -0.07 0.00 0.01 0.00 0.00 42.46 38.33 1nwd s ILE 100 CO -0.23 -0.32 1.14 -0.55 0.00 0.00 0.00 174.94 174.98 1nwd s SER 101 N 1.81 6.16 0.38 3.58 0.15 -1.26 -1.25 113.70 123.26 1nwd s SER 101 Ca 0.22 2.23 0.12 0.00 0.70 0.00 0.00 55.95 59.22 1nwd s SER 101 Cb -0.15 -2.59 0.93 0.00 -1.71 0.00 0.00 66.02 62.50 1nwd s SER 101 CO 0.15 -0.92 1.85 0.00 1.20 0.00 0.00 173.24 175.51 1nwd h ALA 102 N 1.91 1.98 -0.18 5.45 0.00 -1.98 -0.96 119.26 125.47 1nwd h ALA 102 Ca -0.49 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.48 1nwd h ALA 102 Cb 1.24 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1nwd h ALA 102 CO 0.60 -0.26 -0.07 0.00 0.00 0.00 0.00 179.25 179.51 1nwd h ALA 103 N 1.61 0.09 -0.65 0.00 0.00 -1.96 -2.10 119.26 116.26 1nwd h ALA 103 Ca 0.48 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.48 1nwd h ALA 103 Cb 0.96 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1nwd h ALA 103 CO -0.22 -0.50 0.43 0.93 0.00 0.00 0.00 179.25 179.89 1nwd h GLU 104 N -0.04 0.81 -0.26 0.00 5.08 -1.52 -1.32 114.58 117.32 1nwd h GLU 104 Ca 0.10 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1nwd h GLU 104 Cb 0.19 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1nwd h GLU 104 CO -0.21 0.53 0.04 -0.07 -1.00 0.00 0.00 179.01 178.30 1nwd h LEU 105 N 0.83 0.42 0.27 1.33 4.07 -1.33 -3.10 115.31 117.80 1nwd h LEU 105 Ca 0.25 -0.27 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 1nwd h LEU 105 Cb -0.02 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 1nwd h LEU 105 CO -0.06 0.58 -0.21 -0.09 -1.08 0.00 0.00 178.44 177.57 1nwd h ARG 106 N 0.24 -0.47 -0.23 1.13 2.43 -0.66 -3.03 114.38 113.78 1nwd h ARG 106 Ca 0.08 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1nwd h ARG 106 Cb 0.34 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.92 1nwd h ARG 106 CO 0.01 -0.32 -0.40 0.45 -1.51 0.00 0.00 179.97 178.20 1nwd h HIS 107 N -0.49 -1.15 -0.55 2.20 3.86 -1.35 -1.06 115.15 116.60 1nwd h HIS 107 Ca -0.02 0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1nwd h HIS 107 Cb 0.43 0.54 -0.03 0.00 1.06 0.00 0.00 27.41 29.41 1nwd h HIS 107 CO -0.13 -0.45 0.23 -0.24 0.86 0.00 0.00 177.93 178.21 1nwd h VAL 108 N -0.41 1.20 0.19 2.45 3.04 -1.54 0.14 116.25 121.31 1nwd h VAL 108 Ca 0.10 -0.60 -0.01 0.00 -1.01 0.00 0.00 66.70 65.19 1nwd h VAL 108 Cb 0.60 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 1nwd h VAL 108 CO -0.45 0.24 -0.09 0.24 -1.01 0.00 0.00 177.57 176.49 1nwd h MET 109 N 0.79 -0.25 -0.82 4.17 2.07 -1.40 -3.32 114.93 116.17 1nwd h MET 109 Ca 0.19 0.02 0.12 0.00 -2.07 0.00 0.00 59.70 57.96 1nwd h MET 109 Cb 0.13 0.06 -0.06 0.00 -1.87 0.00 0.00 31.60 29.86 1nwd h MET 109 CO -0.02 0.15 0.54 1.15 1.07 0.00 0.00 176.91 179.80 1nwd h THR 110 N -0.81 0.87 -0.89 2.22 2.02 -1.02 -3.18 112.91 112.13 1nwd h THR 110 Ca -0.03 -0.22 0.24 0.00 0.77 0.00 0.00 66.41 67.17 1nwd h THR 110 Cb 0.52 0.17 -0.14 0.00 -1.74 0.00 0.00 68.15 66.95 1nwd h THR 110 CO 0.04 0.12 0.26 -1.13 0.37 0.00 0.00 175.52 175.18 1nwd h ASN 111 N 0.65 0.04 0.50 4.18 -1.24 -1.06 -2.12 115.58 116.53 1nwd h ASN 111 Ca 0.40 0.20 -0.02 0.00 0.71 0.00 0.00 56.30 57.58 1nwd h ASN 111 Cb 0.63 0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.94 1nwd h ASN 111 CO -0.16 -0.15 -0.24 -0.07 -1.29 0.00 0.00 177.43 175.52 1nwd h LEU 112 N 0.22 -0.57 0.00 0.34 4.07 -1.75 -3.47 115.31 114.15 1nwd h LEU 112 Ca 0.56 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.45 1nwd h LEU 112 Cb 1.14 0.15 0.00 0.00 1.08 0.00 0.00 40.66 43.03 1nwd h LEU 112 CO -0.65 -0.21 0.00 0.61 -1.08 0.00 0.00 178.44 177.11 1nwd n GLY 113 N -0.54 -1.30 2.62 0.83 0.00 -0.80 -5.13 105.19 100.86 1nwd n GLY 113 Ca -0.11 0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 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 1.30 -1.39 1.61 2.02 -1.20 -5.04 118.70 116.00 1nwd s GLU 114 Ca 0.00 -2.20 -0.13 0.00 0.02 0.00 0.00 54.97 52.66 1nwd s GLU 114 Cb 0.00 -2.13 0.08 0.00 0.10 0.00 0.00 34.13 32.18 1nwd s GLU 114 CO 0.00 -1.26 2.09 1.17 0.02 0.00 0.00 175.26 177.28 1nwd n LYS 115 N 3.11 3.10 -4.43 1.61 3.00 -1.26 -4.11 118.16 119.18 1nwd n LYS 115 Ca 0.17 -2.93 -0.34 0.00 -0.00 0.00 0.00 58.31 55.22 1nwd n LYS 115 Cb 0.39 -3.19 -0.10 0.00 0.00 0.00 0.00 35.03 32.13 1nwd n LYS 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1nwd s LEU 116 N 1.61 3.40 0.46 3.14 1.43 -1.26 -5.10 118.68 122.36 1nwd s LEU 116 Ca 0.45 0.02 -0.24 0.00 -1.03 0.00 0.00 54.13 53.33 1nwd s LEU 116 Cb 0.12 -1.84 -0.07 0.00 0.03 0.00 0.00 46.19 44.43 1nwd s LEU 116 CO -0.05 0.34 1.36 0.42 0.23 0.00 0.00 176.35 178.64 1nwd s THR 117 N -0.93 2.30 -0.11 5.49 -4.23 -1.26 -4.94 115.64 111.95 1nwd s THR 117 Ca 0.15 0.25 0.30 0.00 -1.18 0.00 0.00 61.69 61.21 1nwd s THR 117 Cb -0.11 -3.14 0.37 0.00 1.34 0.00 0.00 72.50 70.95 1nwd s THR 117 CO 0.05 0.02 1.85 -0.78 -0.54 0.00 0.00 174.62 175.22 1nwd h ASP 118 N 2.17 0.00 -0.92 3.99 3.58 -2.01 -3.29 116.42 119.94 1nwd h ASP 118 Ca -0.50 0.00 0.16 0.00 0.42 0.00 0.00 57.03 57.11 1nwd h ASP 118 Cb 1.27 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.24 1nwd h ASP 118 CO 0.60 0.00 0.59 1.05 -2.88 0.00 0.00 179.24 178.60 1nwd h GLU 119 N 0.00 0.66 -0.15 0.28 4.11 -2.00 -0.97 114.58 116.51 1nwd h GLU 119 Ca 0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 1nwd h GLU 119 Cb 0.67 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1nwd h GLU 119 CO 0.00 0.44 0.09 0.93 0.07 0.00 0.00 179.01 180.53 1nwd h GLU 120 N 0.68 0.21 -0.42 1.06 3.07 -1.97 -2.03 114.58 115.17 1nwd h GLU 120 Ca 0.48 -0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.40 1nwd h GLU 120 Cb 0.82 -0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 28.61 1nwd h GLU 120 CO -0.24 0.22 -0.09 0.28 -1.40 0.00 0.00 179.01 177.78 1nwd h VAL 121 N 0.15 0.59 -0.89 3.13 2.07 -1.41 -1.47 116.25 118.42 1nwd h VAL 121 Ca 0.05 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1nwd h VAL 121 Cb 0.06 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1nwd h VAL 121 CO -0.01 0.00 0.59 0.44 0.02 0.00 0.00 177.57 178.61 1nwd h ASP 122 N 0.02 1.00 0.63 0.57 3.32 -1.35 -3.01 116.42 117.61 1nwd h ASP 122 Ca 0.21 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1nwd h ASP 122 Cb 0.31 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.62 1nwd h ASP 122 CO -0.42 0.72 -0.30 -0.08 -1.72 0.00 0.00 179.24 177.43 1nwd h GLU 123 N 1.18 -0.82 0.00 3.56 4.81 -0.52 -1.32 114.58 121.46 1nwd h GLU 123 Ca 0.33 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1nwd h GLU 123 Cb -0.10 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1nwd h GLU 123 CO -0.08 -0.50 0.00 0.00 -0.73 0.00 0.00 179.01 177.69 1nwd n MET 124 N -5.39 0.09 0.04 1.92 0.00 -0.89 -1.11 117.12 111.78 1nwd n MET 124 Ca -0.12 0.39 -0.09 0.00 0.00 0.00 0.00 57.70 57.87 1nwd n MET 124 Cb 0.36 -1.70 -0.06 0.00 0.00 0.00 0.00 33.22 31.82 1nwd n MET 124 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1nwd h ILE 125 N 0.00 0.68 -0.97 3.17 2.04 -1.45 -3.37 117.51 117.62 1nwd h ILE 125 Ca 0.00 -1.16 0.19 0.00 1.00 0.00 0.00 64.86 64.89 1nwd h ILE 125 Cb 0.24 1.19 -0.11 0.00 -0.74 0.00 0.00 36.82 37.40 1nwd h ILE 125 CO 0.00 0.19 0.56 0.03 0.00 0.00 0.00 178.15 178.93 1nwd h ARG 126 N -0.94 0.66 -0.75 2.37 2.47 -0.23 -0.95 114.38 117.02 1nwd h ARG 126 Ca -0.02 -0.04 0.21 0.00 -1.26 0.00 0.00 59.98 58.87 1nwd h ARG 126 Cb 0.47 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.61 1nwd h ARG 126 CO 0.03 0.44 0.54 0.93 0.56 0.00 0.00 179.97 182.47 1nwd h GLU 127 N 0.68 0.03 -0.18 0.04 5.08 -1.28 -2.54 114.58 116.42 1nwd h GLU 127 Ca 0.57 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.72 1nwd h GLU 127 Cb 0.91 -0.01 -0.33 0.00 0.50 0.00 0.00 28.75 29.82 1nwd h GLU 127 CO -0.40 0.02 -0.95 0.00 -1.00 0.00 0.00 179.01 176.67 1nwd n ALA 128 N -2.67 2.86 -1.77 3.43 0.00 -0.94 -5.10 120.51 116.32 1nwd n ALA 128 Ca 0.15 -2.74 -0.40 0.00 0.00 0.00 0.00 53.44 50.45 1nwd n ALA 128 Cb 0.80 -0.68 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.81 7.14 0.07 0.00 2.15 -0.41 -4.66 116.67 118.16 1nwd s ASP 129 Ca 0.34 2.37 -0.00 0.00 0.43 0.00 0.00 52.55 55.69 1nwd s ASP 129 Cb 0.37 -2.63 -0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1nwd s ASP 129 CO -0.10 -0.25 -0.01 -0.38 -0.17 0.00 0.00 175.17 174.26 1nwd n ILE 130 N 1.15 1.02 0.04 4.11 5.41 -1.26 -4.89 119.36 124.94 1nwd n ILE 130 Ca -0.01 0.32 -0.10 0.00 1.00 0.00 0.00 62.75 63.96 1nwd n ILE 130 Cb 0.44 -1.59 -0.04 0.00 -0.71 0.00 0.00 39.64 37.74 1nwd n ILE 130 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1nwd h ASP 131 N -0.03 -0.57 0.00 4.38 2.03 -1.93 -3.46 116.42 116.85 1nwd h ASP 131 Ca -0.00 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 1nwd h ASP 131 Cb 0.21 0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 1nwd h ASP 131 CO -0.00 -0.25 0.00 0.61 -1.03 0.00 0.00 179.24 178.57 1nwd n GLY 132 N -1.32 0.00 3.49 7.15 0.00 -1.26 -4.96 105.19 108.29 1nwd n GLY 132 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 1nwd n GLY 132 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nwd n ASP 133 N 0.00 -4.70 0.00 1.61 2.03 -1.26 -4.96 116.55 109.26 1nwd n ASP 133 Ca 0.00 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.49 1nwd n ASP 133 Cb 0.00 -4.40 0.00 0.00 -0.72 0.00 0.00 41.12 36.00 1nwd n ASP 133 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nwd n GLY 134 N -1.43 0.01 2.99 0.27 0.00 -1.26 -5.09 105.19 100.68 1nwd n GLY 134 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1nwd n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nwd s GLN 135 N -0.92 0.38 -0.79 1.61 -0.21 -1.26 -4.42 119.66 114.04 1nwd s GLN 135 Ca 0.00 -0.48 -0.24 0.00 0.02 0.00 0.00 55.36 54.67 1nwd s GLN 135 Cb 0.00 -0.19 0.06 0.00 1.00 0.00 0.00 33.01 33.89 1nwd s GLN 135 CO 0.00 0.03 1.18 0.08 -2.12 0.00 0.00 175.29 174.46 1nwd s VAL 136 N -0.90 4.11 0.92 1.09 1.01 -0.38 -4.75 120.40 121.50 1nwd s VAL 136 Ca -0.07 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 1nwd s VAL 136 Cb -0.07 -4.84 0.14 0.00 0.00 0.00 0.00 36.38 31.61 1nwd s VAL 136 CO -0.00 -1.69 1.10 0.54 0.00 0.00 0.00 175.10 175.05 1nwd s ASN 137 N 3.93 3.17 0.21 3.32 2.20 -1.26 -1.87 114.94 124.64 1nwd s ASN 137 Ca 0.32 1.74 -0.10 0.00 -0.94 0.00 0.00 52.86 53.88 1nwd s ASN 137 Cb -0.09 -2.36 0.20 0.00 -2.00 0.00 0.00 41.25 36.99 1nwd s ASN 137 CO 0.05 -2.87 1.85 0.22 -2.94 0.00 0.00 177.10 173.42 1nwd h TYR 138 N -1.70 0.85 -0.23 1.54 5.03 -1.97 0.29 116.97 120.79 1nwd h TYR 138 Ca -0.48 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 60.85 1nwd h TYR 138 Cb 1.28 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 39.26 1nwd h TYR 138 CO 0.45 0.49 0.14 0.93 -1.32 0.00 0.00 178.16 178.85 1nwd h GLU 139 N 0.89 0.31 -0.67 1.82 3.07 -1.95 -1.41 114.58 116.64 1nwd h GLU 139 Ca 0.29 -0.03 0.06 0.00 -0.50 0.00 0.00 59.36 59.18 1nwd h GLU 139 Cb 0.01 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 27.80 1nwd h GLU 139 CO -0.11 0.26 0.37 1.49 -1.40 0.00 0.00 179.01 179.62 1nwd h GLU 140 N 0.28 0.65 -0.89 2.33 4.22 -1.80 -1.47 114.58 117.90 1nwd h GLU 140 Ca 0.08 -0.04 0.07 0.00 0.08 0.00 0.00 59.36 59.55 1nwd h GLU 140 Cb 0.03 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.07 1nwd h GLU 140 CO -0.01 0.43 0.56 0.35 -2.18 0.00 0.00 179.01 178.15 1nwd h PHE 141 N 0.67 1.03 0.42 0.92 3.04 -0.41 -1.57 116.94 121.05 1nwd h PHE 141 Ca 0.31 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.26 1nwd h PHE 141 Cb 0.21 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.39 1nwd h PHE 141 CO -0.08 0.51 -0.20 0.28 -2.02 0.00 0.00 178.31 176.80 1nwd h VAL 142 N 1.00 0.46 -0.92 1.41 2.07 -0.91 -3.35 116.25 116.02 1nwd h VAL 142 Ca 0.39 -0.52 0.15 0.00 0.82 0.00 0.00 66.70 67.54 1nwd h VAL 142 Cb 0.20 0.66 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 1nwd h VAL 142 CO -0.18 0.08 0.53 1.56 0.02 0.00 0.00 177.57 179.57 1nwd h GLN 143 N -0.92 0.74 -0.05 1.57 7.50 -0.92 -0.31 115.11 122.71 1nwd h GLN 143 Ca -0.06 -0.04 -0.06 0.00 0.50 0.00 0.00 58.65 58.99 1nwd h GLN 143 Cb 0.56 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.92 1nwd h GLN 143 CO 0.10 0.49 -0.25 0.00 -1.50 0.00 0.00 178.83 177.66 1nwd h MET 144 N 0.76 0.08 0.17 1.46 -0.00 -1.44 0.11 114.93 116.07 1nwd h MET 144 Ca 0.49 -0.02 -0.30 0.00 -0.00 0.00 0.00 59.70 59.87 1nwd h MET 144 Cb 0.65 -0.01 0.01 0.00 -0.00 0.00 0.00 31.60 32.25 1nwd h MET 144 CO -0.33 0.33 -1.47 0.52 -0.00 0.00 0.00 176.91 175.96 1nwd h MET 145 N 0.08 0.36 0.38 -0.10 2.86 -1.51 -3.41 114.93 113.59 1nwd h MET 145 Ca 0.01 -0.61 -0.02 0.00 -2.06 0.00 0.00 59.70 57.02 1nwd h MET 145 Cb 0.49 0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1nwd h MET 145 CO 0.03 1.29 -0.18 1.15 1.06 0.00 0.00 176.91 180.27 1nwd h THR 146 N -0.09 0.00 -5.84 2.22 2.02 -0.97 -3.48 112.91 106.77 1nwd h THR 146 Ca -0.29 -0.27 -0.19 0.00 0.77 0.00 0.00 66.41 66.43 1nwd h THR 146 Cb 1.94 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1nwd h THR 146 CO 0.15 0.00 -0.40 0.00 0.37 0.00 0.00 175.52 175.64 1nwd n ALA 147 N -2.46 -1.66 -0.84 6.16 0.00 0.36 -5.07 120.51 117.00 1nwd n ALA 147 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1nwd n ALA 147 Cb 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1nwd n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67