#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 4.30 -0.71 0.00 1.01 -1.26 -4.96 116.67 115.05 1nwd s ASP 2 Ca 0.00 1.69 -0.26 0.00 0.71 0.00 0.00 52.55 54.69 1nwd s ASP 2 Cb 0.00 -2.40 -0.00 0.00 1.01 0.00 0.00 42.92 41.53 1nwd s ASP 2 CO 0.00 -2.15 1.64 -1.10 0.21 0.00 0.00 175.17 173.77 1nwd s GLN 3 N -4.93 2.88 -0.01 8.23 -0.21 -1.26 -4.88 119.66 119.48 1nwd s GLN 3 Ca 0.61 0.12 -0.01 0.00 0.02 0.00 0.00 55.36 56.11 1nwd s GLN 3 Cb -0.17 -4.44 -0.00 0.00 1.00 0.00 0.00 33.01 29.40 1nwd s GLN 3 CO 0.56 -2.55 0.16 -0.07 -2.12 0.00 0.00 175.29 171.27 1nwd h LEU 4 N 15.14 -0.02 -9.63 2.90 3.38 -2.07 -3.47 115.31 121.53 1nwd h LEU 4 Ca -0.21 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.12 1nwd h LEU 4 Cb 1.10 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.77 1nwd h LEU 4 CO 1.25 0.04 -0.59 -0.89 0.09 0.00 0.00 178.44 178.34 1nwd s THR 5 N -1.43 4.62 -2.00 0.22 2.01 -1.26 -5.03 115.64 112.77 1nwd s THR 5 Ca -0.00 -0.66 0.10 0.00 0.31 0.00 0.00 61.69 61.44 1nwd s THR 5 Cb 0.00 -3.19 0.29 0.00 0.01 0.00 0.00 72.50 69.60 1nwd s THR 5 CO 0.01 0.19 1.30 -0.62 -0.69 0.00 0.00 174.62 174.81 1nwd n GLU 6 N 0.65 0.90 0.06 4.92 1.02 -1.26 -4.15 120.64 122.78 1nwd n GLU 6 Ca -0.10 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.92 1nwd n GLU 6 Cb 0.52 -1.18 -0.09 0.00 -0.02 0.00 0.00 31.44 30.68 1nwd n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1nwd h GLU 7 N 0.00 -0.18 -0.89 3.49 4.81 -2.01 -3.23 114.58 116.56 1nwd h GLU 7 Ca 0.00 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.45 1nwd h GLU 7 Cb 0.00 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.36 1nwd h GLU 7 CO 0.00 0.20 0.59 1.96 -0.73 0.00 0.00 179.01 181.04 1nwd h GLN 8 N -0.62 0.38 0.13 1.92 4.20 -2.00 -0.76 115.11 118.35 1nwd h GLN 8 Ca -0.02 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.68 1nwd h GLN 8 Cb 0.47 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1nwd h GLN 8 CO 0.03 0.25 -0.18 0.82 -0.67 0.00 0.00 178.83 179.08 1nwd h ILE 9 N 0.39 0.58 0.09 2.54 2.04 -1.83 -1.65 117.51 119.66 1nwd h ILE 9 Ca 0.46 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.34 1nwd h ILE 9 Cb 1.18 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1nwd h ILE 9 CO -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 177.79 1nwd h ALA 10 N 0.44 -0.30 -0.85 1.87 0.00 -1.21 -2.64 119.26 116.56 1nwd h ALA 10 Ca 0.02 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1nwd h ALA 10 Cb 0.38 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 1nwd h ALA 10 CO -0.09 -0.71 0.48 0.93 0.00 0.00 0.00 179.25 179.86 1nwd h GLU 11 N -0.35 0.74 -0.39 0.00 4.39 -1.24 -0.97 114.58 116.76 1nwd h GLU 11 Ca 0.03 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 1nwd h GLU 11 Cb 0.38 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1nwd h GLU 11 CO -0.12 0.49 -0.22 0.74 -1.16 0.00 0.00 179.01 178.75 1nwd h PHE 12 N 0.76 0.97 0.05 4.33 -1.00 -1.20 -1.66 116.94 119.19 1nwd h PHE 12 Ca 0.43 -0.25 0.01 0.00 2.81 0.00 0.00 57.97 60.97 1nwd h PHE 12 Cb 0.46 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 1nwd h PHE 12 CO -0.06 1.02 -0.11 0.87 -1.61 0.00 0.00 178.31 178.42 1nwd h LYS 13 N 0.65 -0.20 -0.50 1.51 1.57 -1.09 -2.47 116.57 116.04 1nwd h LYS 13 Ca 0.08 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.95 1nwd h LYS 13 Cb 0.78 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.07 1nwd h LYS 13 CO 0.06 -0.13 0.15 0.93 -0.57 0.00 0.00 179.45 179.89 1nwd h GLU 14 N -0.21 0.30 -0.01 3.15 4.39 -1.07 -0.52 114.58 120.61 1nwd h GLU 14 Ca 0.02 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.72 1nwd h GLU 14 Cb 0.23 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1nwd h GLU 14 CO -0.07 0.20 -0.06 0.00 -1.16 0.00 0.00 179.01 177.91 1nwd h ALA 15 N 1.36 -0.06 0.02 3.43 0.00 -1.26 -2.86 119.26 119.89 1nwd h ALA 15 Ca 0.25 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1nwd h ALA 15 Cb 0.29 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1nwd h ALA 15 CO -0.28 -0.55 -0.01 0.35 0.00 0.00 0.00 179.25 178.76 1nwd h PHE 16 N -0.11 -0.02 -0.41 0.00 3.57 -1.13 -3.04 116.94 115.80 1nwd h PHE 16 Ca 0.03 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.65 1nwd h PHE 16 Cb 0.14 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1nwd h PHE 16 CO -0.13 -0.00 0.33 0.77 -2.23 0.00 0.00 178.31 177.04 1nwd h SER 17 N -0.03 0.00 -0.59 0.41 0.02 -1.07 -2.29 113.55 110.00 1nwd h SER 17 Ca -0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1nwd h SER 17 Cb 0.02 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1nwd h SER 17 CO 0.00 0.00 0.34 0.25 -1.14 0.00 0.00 176.83 176.29 1nwd h LEU 18 N 0.00 0.54 -0.04 5.07 5.85 -1.38 -2.88 115.31 122.47 1nwd h LEU 18 Ca 0.19 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1nwd h LEU 18 Cb 0.86 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1nwd h LEU 18 CO -0.00 0.37 -0.10 -0.26 -0.34 0.00 0.00 178.44 178.10 1nwd h PHE 19 N 0.67 0.19 -1.25 1.25 -1.00 -1.57 -3.40 116.94 111.82 1nwd h PHE 19 Ca 0.25 -0.07 -0.67 0.00 2.81 0.00 0.00 57.97 60.29 1nwd h PHE 19 Cb 0.08 -0.03 -0.11 0.00 3.61 0.00 0.00 35.95 39.49 1nwd h PHE 19 CO -0.07 0.70 1.79 -0.51 -1.61 0.00 0.00 178.31 178.61 1nwd s ASP 20 N -6.00 6.78 0.03 2.17 1.11 -1.01 -4.75 116.67 115.00 1nwd s ASP 20 Ca -0.16 -2.26 -0.21 0.00 0.18 0.00 0.00 52.55 50.11 1nwd s ASP 20 Cb 0.02 -2.53 -0.15 0.00 1.07 0.00 0.00 42.92 41.33 1nwd s ASP 20 CO 0.71 -1.18 1.32 0.11 1.18 0.00 0.00 175.17 177.31 1nwd h LYS 21 N 8.16 0.35 -0.93 8.23 6.56 -1.79 -3.30 116.57 133.84 1nwd h LYS 21 Ca 0.34 -0.20 0.21 0.00 -1.06 0.00 0.00 60.65 59.94 1nwd h LYS 21 Cb 0.92 0.01 -0.11 0.00 -0.57 0.00 0.00 32.23 32.48 1nwd h LYS 21 CO 1.39 0.76 0.50 -0.44 -2.06 0.00 0.00 179.45 179.60 1nwd h ASP 22 N -0.05 0.55 0.00 0.86 3.32 -1.93 -3.46 116.42 115.70 1nwd h ASP 22 Ca 0.02 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1nwd h ASP 22 Cb 0.72 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1nwd h ASP 22 CO 0.04 0.13 0.00 0.61 -1.72 0.00 0.00 179.24 178.30 1nwd n GLY 23 N -1.33 1.33 0.25 2.75 0.00 -1.24 -4.93 105.19 102.02 1nwd n GLY 23 Ca 0.23 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 -2.28 1.61 3.04 -1.90 -3.47 116.42 113.41 1nwd h ASP 24 Ca 0.00 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.67 1nwd h ASP 24 Cb 0.00 0.00 0.04 0.00 -1.04 0.00 0.00 39.33 38.33 1nwd h ASP 24 CO 0.00 0.13 -0.20 0.61 -2.04 0.00 0.00 179.24 177.75 1nwd n GLY 25 N -0.85 0.48 2.67 7.15 0.00 -1.26 -5.03 105.19 108.35 1nwd n GLY 25 Ca -0.02 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.02 -0.27 -0.56 2.61 -4.23 -1.26 -3.16 115.64 105.75 1nwd s THR 26 Ca 0.16 -0.56 -0.26 0.00 -1.18 0.00 0.00 61.69 59.85 1nwd s THR 26 Cb -0.07 -0.95 0.03 0.00 1.34 0.00 0.00 72.50 72.85 1nwd s THR 26 CO 0.19 -0.54 1.06 -0.63 -0.54 0.00 0.00 174.62 174.16 1nwd s ILE 27 N 2.26 4.22 0.33 2.99 1.01 -0.42 -4.77 121.20 126.80 1nwd s ILE 27 Ca 0.09 0.64 0.07 0.00 0.00 0.00 0.00 60.65 61.45 1nwd s ILE 27 Cb -0.15 -4.62 -0.02 0.00 0.01 0.00 0.00 42.46 37.68 1nwd s ILE 27 CO -0.33 -1.20 0.33 0.28 0.00 0.00 0.00 174.94 174.03 1nwd s THR 28 N 4.42 3.79 0.29 2.92 -1.32 -1.26 -1.28 115.64 123.20 1nwd s THR 28 Ca 0.37 -1.27 0.04 0.00 -1.21 0.00 0.00 61.69 59.62 1nwd s THR 28 Cb -0.10 -3.28 0.29 0.00 -1.51 0.00 0.00 72.50 67.90 1nwd s THR 28 CO 0.23 -0.19 1.71 0.71 -2.21 0.00 0.00 174.62 174.87 1nwd h THR 29 N 1.18 0.52 -0.44 5.08 1.35 -1.87 -1.86 112.91 116.88 1nwd h THR 29 Ca -0.46 -0.16 -0.09 0.00 -0.55 0.00 0.00 66.41 65.15 1nwd h THR 29 Cb 1.25 0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 1nwd h THR 29 CO 0.57 0.09 -0.11 0.11 -0.25 0.00 0.00 175.52 175.93 1nwd h LYS 30 N 0.47 0.78 -0.47 4.72 1.57 -1.96 -2.41 116.57 119.28 1nwd h LYS 30 Ca 0.56 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1nwd h LYS 30 Cb 1.04 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 1nwd h LYS 30 CO -0.49 0.86 0.20 1.49 -0.57 0.00 0.00 179.45 180.93 1nwd h GLU 31 N 0.71 0.69 -0.87 3.15 4.81 -1.74 -1.13 114.58 120.20 1nwd h GLU 31 Ca 0.12 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1nwd h GLU 31 Cb 0.59 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 1nwd h GLU 31 CO 0.04 0.61 0.57 -0.07 -0.73 0.00 0.00 179.01 179.43 1nwd h LEU 32 N 0.61 0.95 -0.07 1.64 -0.00 -1.50 -1.76 115.31 115.19 1nwd h LEU 32 Ca 0.16 -0.01 0.04 0.00 -0.00 0.00 0.00 57.88 58.07 1nwd h LEU 32 Cb 0.17 -0.22 -0.06 0.00 -0.00 0.00 0.00 40.66 40.55 1nwd h LEU 32 CO -0.02 0.66 -0.36 1.23 -0.00 0.00 0.00 178.44 179.95 1nwd h GLY 33 N 1.11 -0.59 0.96 0.83 0.00 -0.86 -1.77 103.07 102.75 1nwd h GLY 33 Ca 0.34 0.44 -0.03 0.00 0.00 0.00 0.00 47.33 48.08 1nwd h GLY 33 CO -0.11 -0.23 0.17 -0.91 0.00 0.00 0.00 176.54 175.46 1nwd h THR 34 N -0.48 1.21 0.02 4.70 1.35 -1.07 -1.03 112.91 117.62 1nwd h THR 34 Ca 0.07 -0.68 0.03 0.00 -0.55 0.00 0.00 66.41 65.29 1nwd h THR 34 Cb 0.59 0.80 -0.05 0.00 -1.73 0.00 0.00 68.15 67.77 1nwd h THR 34 CO -0.33 0.25 -0.29 0.58 -0.25 0.00 0.00 175.52 175.48 1nwd h VAL 35 N 0.60 0.36 -0.99 6.82 2.07 -1.24 -1.03 116.25 122.84 1nwd h VAL 35 Ca 0.15 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.72 1nwd h VAL 35 Cb 0.22 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 1nwd h VAL 35 CO -0.01 0.00 0.65 0.24 0.02 0.00 0.00 177.57 178.47 1nwd h MET 36 N -0.45 1.17 0.32 1.57 2.86 -1.25 -3.08 114.93 116.07 1nwd h MET 36 Ca 0.06 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1nwd h MET 36 Cb 0.52 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1nwd h MET 36 CO -0.23 0.77 -0.18 -0.09 1.06 0.00 0.00 176.91 178.24 1nwd h ARG 37 N 1.20 -0.46 -0.72 1.72 9.65 -0.64 0.73 114.38 125.87 1nwd h ARG 37 Ca 0.41 0.03 0.14 0.00 -1.10 0.00 0.00 59.98 59.47 1nwd h ARG 37 Cb 0.10 0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.73 1nwd h ARG 37 CO -0.15 -0.31 0.48 0.77 2.80 0.00 0.00 179.97 183.57 1nwd h SER 38 N -0.48 0.35 0.07 -3.80 0.02 -1.12 -2.98 113.55 105.62 1nwd h SER 38 Ca -0.04 0.02 -0.31 0.00 -0.84 0.00 0.00 61.79 60.62 1nwd h SER 38 Cb 0.39 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1nwd h SER 38 CO 0.04 0.19 -1.69 0.18 -1.14 0.00 0.00 176.83 174.41 1nwd n LEU 39 N -4.47 2.30 0.00 5.07 4.77 -1.17 -5.02 117.00 118.48 1nwd n LEU 39 Ca 0.14 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1nwd n LEU 39 Cb 0.52 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1nwd n LEU 39 CO 0.33 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1nwd n GLY 40 N 1.74 -0.27 3.19 -0.72 0.00 -0.16 -5.12 105.19 103.86 1nwd n GLY 40 Ca -0.32 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 0.36 -0.83 1.61 -1.52 0.07 -4.99 119.66 114.36 1nwd s GLN 41 Ca 0.00 0.47 0.01 0.00 -1.95 0.00 0.00 55.36 53.89 1nwd s GLN 41 Cb 0.00 0.14 0.22 0.00 -0.22 0.00 0.00 33.01 33.15 1nwd s GLN 41 CO 0.00 -0.06 0.75 0.27 -0.25 0.00 0.00 175.29 176.00 1nwd n ASN 42 N 3.09 3.99 -4.79 5.90 6.94 -1.26 -2.42 115.26 126.71 1nwd n ASN 42 Ca -0.14 -3.22 -0.30 0.00 -0.02 0.00 0.00 54.58 50.90 1nwd n ASN 42 Cb 0.57 -0.94 0.09 0.00 -2.36 0.00 0.00 39.78 37.15 1nwd n ASN 42 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1nwd s PRO 43 N -1.65 2.07 -0.03 -0.53 0.04 -1.26 -5.06 135.00 128.58 1nwd s PRO 43 Ca 0.29 0.78 -0.08 0.00 0.04 0.00 0.00 61.00 62.02 1nwd s PRO 43 Cb -0.03 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1nwd s PRO 43 CO -0.11 -1.66 0.26 0.95 0.04 0.00 0.00 177.00 176.48 1nwd s THR 44 N -3.07 5.31 0.26 1.26 -4.23 -1.26 -5.02 115.64 108.88 1nwd s THR 44 Ca 0.61 0.32 -0.02 0.00 -1.18 0.00 0.00 61.69 61.42 1nwd s THR 44 Cb -0.15 -3.54 0.24 0.00 1.34 0.00 0.00 72.50 70.38 1nwd s THR 44 CO 0.55 0.49 1.82 1.05 -0.54 0.00 0.00 174.62 177.99 1nwd h GLU 45 N 4.43 0.85 0.16 3.99 4.11 -1.99 -1.83 114.58 124.31 1nwd h GLU 45 Ca -0.52 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 58.85 1nwd h GLU 45 Cb 1.21 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1nwd h GLU 45 CO 0.63 0.57 -0.08 0.00 0.07 0.00 0.00 179.01 180.19 1nwd h ALA 46 N 1.49 -0.22 -0.39 1.06 0.00 -2.01 -2.97 119.26 116.22 1nwd h ALA 46 Ca 0.44 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 1nwd h ALA 46 Cb 0.40 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1nwd h ALA 46 CO -0.25 -0.53 -0.11 0.93 0.00 0.00 0.00 179.25 179.28 1nwd h GLU 47 N -0.39 0.69 -0.72 0.00 5.08 -1.95 -2.45 114.58 114.85 1nwd h GLU 47 Ca -0.02 -0.22 0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1nwd h GLU 47 Cb 0.31 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1nwd h GLU 47 CO 0.04 0.79 0.48 -0.07 -1.00 0.00 0.00 179.01 179.24 1nwd h LEU 48 N 0.63 0.45 0.03 1.33 3.38 -1.32 -2.13 115.31 117.68 1nwd h LEU 48 Ca 0.11 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1nwd h LEU 48 Cb 0.56 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1nwd h LEU 48 CO 0.03 0.25 -0.01 -0.61 0.09 0.00 0.00 178.44 178.19 1nwd h GLN 49 N 0.49 -0.04 -0.69 1.13 4.15 -1.30 -3.38 115.11 115.47 1nwd h GLN 49 Ca 0.34 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.79 1nwd h GLN 49 Cb 0.66 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.32 1nwd h GLN 49 CO -0.11 0.40 0.46 -0.44 -1.93 0.00 0.00 178.83 177.20 1nwd h ASP 50 N -0.99 0.75 0.17 -0.69 3.32 -1.38 -1.50 116.42 116.10 1nwd h ASP 50 Ca -0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1nwd h ASP 50 Cb 0.45 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 1nwd h ASP 50 CO 0.01 0.53 -0.04 0.00 -1.72 0.00 0.00 179.24 178.02 1nwd h MET 51 N 0.87 0.00 0.00 3.56 -0.00 -1.58 -2.92 114.93 114.86 1nwd h MET 51 Ca 0.27 0.00 -0.21 0.00 -0.00 0.00 0.00 59.70 59.76 1nwd h MET 51 Cb -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.56 1nwd h MET 51 CO -0.07 0.04 -1.35 -0.89 -0.00 0.00 0.00 176.91 174.64 1nwd n ILE 52 N -3.53 1.50 0.31 -0.10 2.08 -0.73 -4.56 119.36 114.32 1nwd n ILE 52 Ca -0.02 -0.03 0.20 0.00 0.56 0.00 0.00 62.75 63.45 1nwd n ILE 52 Cb 0.14 -2.12 1.00 0.00 -0.75 0.00 0.00 39.64 37.91 1nwd n ILE 52 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1nwd h ASN 53 N -1.00 0.00 -1.01 4.38 2.35 -1.31 -1.85 115.58 117.15 1nwd h ASN 53 Ca -0.31 0.00 0.23 0.00 -0.55 0.00 0.00 56.30 55.67 1nwd h ASN 53 Cb 1.16 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.41 1nwd h ASN 53 CO -0.19 0.00 0.61 1.05 -1.65 0.00 0.00 177.43 177.25 1nwd h GLU 54 N 0.00 0.60 0.00 0.81 4.11 -1.76 -3.16 114.58 115.19 1nwd h GLU 54 Ca 0.00 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 59.24 1nwd h GLU 54 Cb 0.14 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1nwd h GLU 54 CO 0.00 0.40 -1.10 0.28 0.07 0.00 0.00 179.01 178.66 1nwd n VAL 55 N -4.81 1.49 -1.82 -1.06 0.31 -0.73 -4.89 118.33 106.81 1nwd n VAL 55 Ca 0.25 0.04 -0.38 0.00 -0.01 0.00 0.00 64.34 64.24 1nwd n VAL 55 Cb 0.70 -2.17 -0.03 0.00 -0.91 0.00 0.00 33.84 31.43 1nwd n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1nwd s ASP 56 N -6.46 4.99 0.07 4.52 2.15 -1.01 -4.04 116.67 116.89 1nwd s ASP 56 Ca -0.25 0.79 -0.29 0.00 0.43 0.00 0.00 52.55 53.23 1nwd s ASP 56 Cb 0.05 -2.52 -0.17 0.00 -0.30 0.00 0.00 42.92 39.98 1nwd s ASP 56 CO 0.44 -2.51 1.61 0.00 -0.17 0.00 0.00 175.17 174.54 1nwd h ALA 57 N 16.66 -0.56 -0.24 3.66 0.00 -1.86 -2.59 119.26 134.33 1nwd h ALA 57 Ca -0.27 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1nwd h ALA 57 Cb 1.21 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1nwd h ALA 57 CO 1.17 -0.79 0.16 0.38 0.00 0.00 0.00 179.25 180.17 1nwd h ASP 58 N -0.60 0.25 -4.24 0.00 2.03 -1.90 -3.47 116.42 108.48 1nwd h ASP 58 Ca -0.06 -0.01 -0.22 0.00 -0.73 0.00 0.00 57.03 56.01 1nwd h ASP 58 Cb 0.45 -0.06 0.10 0.00 -0.83 0.00 0.00 39.33 38.99 1nwd h ASP 58 CO 0.09 0.18 -0.47 0.61 -1.03 0.00 0.00 179.24 178.62 1nwd n GLY 59 N -1.51 -0.05 0.11 7.15 0.00 -0.98 -4.96 105.19 104.95 1nwd n GLY 59 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.38 0.00 0.00 1.61 -0.26 -1.92 -3.49 115.58 110.14 1nwd h ASN 60 Ca -0.37 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.37 1nwd h ASN 60 Cb 1.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.48 1nwd h ASN 60 CO 0.33 0.67 0.00 0.61 -1.06 0.00 0.00 177.43 177.98 1nwd n GLY 61 N 1.32 2.92 3.66 2.83 0.00 -1.26 -5.02 105.19 109.63 1nwd n GLY 61 Ca -0.03 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 3.66 -0.48 2.61 -4.23 -1.26 -4.46 115.64 111.48 1nwd s THR 62 Ca 0.00 0.79 -0.11 0.00 -1.18 0.00 0.00 61.69 61.19 1nwd s THR 62 Cb 0.00 -3.53 0.11 0.00 1.34 0.00 0.00 72.50 70.42 1nwd s THR 62 CO 0.00 -0.10 0.37 -0.63 -0.54 0.00 0.00 174.62 173.73 1nwd s ILE 63 N 4.16 4.48 1.25 2.99 -1.09 -0.40 -4.89 121.20 127.70 1nwd s ILE 63 Ca 0.72 -1.64 -0.21 0.00 -2.23 0.00 0.00 60.65 57.29 1nwd s ILE 63 Cb -0.31 -3.89 0.31 0.00 -1.58 0.00 0.00 42.46 36.99 1nwd s ILE 63 CO 0.28 -0.75 1.11 -0.62 -1.23 0.00 0.00 174.94 173.73 1nwd s ASP 64 N 2.80 0.49 0.09 3.58 -1.08 -1.26 -1.30 116.67 119.99 1nwd s ASP 64 Ca 0.05 0.50 -0.35 0.00 -0.52 0.00 0.00 52.55 52.22 1nwd s ASP 64 Cb -0.27 -0.64 -0.16 0.00 -1.46 0.00 0.00 42.92 40.39 1nwd s ASP 64 CO 0.01 -4.37 1.57 0.15 0.52 0.00 0.00 175.17 173.04 1nwd h PHE 65 N -2.75 -1.41 -0.49 -5.34 3.04 -1.95 -1.98 116.94 106.05 1nwd h PHE 65 Ca -0.42 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.54 1nwd h PHE 65 Cb 1.28 0.56 -0.02 0.00 2.56 0.00 0.00 35.95 40.33 1nwd h PHE 65 CO -2.75 -0.65 0.28 -1.00 -2.02 0.00 0.00 178.31 172.16 1nwd h PRO 66 N -0.95 0.67 -0.45 6.41 0.13 -1.94 -2.81 132.00 133.05 1nwd h PRO 66 Ca -0.05 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 64.96 1nwd h PRO 66 Cb 0.85 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 1nwd h PRO 66 CO -0.11 0.49 0.01 0.93 -0.23 0.00 0.00 178.00 179.09 1nwd h GLU 67 N 0.68 0.74 0.01 0.86 5.08 -1.81 0.10 114.58 120.24 1nwd h GLU 67 Ca 0.18 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1nwd h GLU 67 Cb 0.00 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.17 1nwd h GLU 67 CO -0.03 0.74 -0.63 0.35 -1.00 0.00 0.00 179.01 178.44 1nwd h PHE 68 N 0.69 0.61 -0.96 4.33 3.57 -1.26 -2.06 116.94 121.87 1nwd h PHE 68 Ca 0.14 -0.34 0.10 0.00 3.53 0.00 0.00 57.97 61.39 1nwd h PHE 68 Cb 0.41 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.01 1nwd h PHE 68 CO 0.02 1.17 0.62 -0.07 -2.23 0.00 0.00 178.31 177.82 1nwd h LEU 69 N -0.11 0.91 0.64 0.59 4.07 -1.42 -2.46 115.31 117.52 1nwd h LEU 69 Ca -0.08 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 1nwd h LEU 69 Cb 1.35 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1nwd h LEU 69 CO 0.12 0.53 -0.32 0.74 -1.08 0.00 0.00 178.44 178.43 1nwd h THR 70 N 1.01 0.00 -0.61 0.22 2.02 -1.02 -3.10 112.91 111.43 1nwd h THR 70 Ca 0.45 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.71 1nwd h THR 70 Cb 0.37 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.68 1nwd h THR 70 CO -0.20 0.00 -0.26 0.80 0.37 0.00 0.00 175.52 176.23 1nwd n MET 71 N -4.42 -0.16 0.04 6.66 0.00 -0.78 -0.55 117.12 117.92 1nwd n MET 71 Ca -0.11 0.93 -0.03 0.00 0.00 0.00 0.00 57.70 58.49 1nwd n MET 71 Cb 0.35 -1.38 -0.02 0.00 0.00 0.00 0.00 33.22 32.18 1nwd n MET 71 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 1nwd h MET 72 N 0.00 -0.21 0.21 2.12 2.86 -1.69 -3.36 114.93 114.87 1nwd h MET 72 Ca 0.19 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1nwd h MET 72 Cb 0.34 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1nwd h MET 72 CO -0.60 -0.14 -0.10 0.00 1.06 0.00 0.00 176.91 177.13 1nwd h ALA 73 N -1.08 -0.28 0.00 6.32 0.00 -1.30 -3.42 119.26 119.50 1nwd h ALA 73 Ca -0.02 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 1nwd h ALA 73 Cb 0.16 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1nwd h ALA 73 CO 0.04 -0.26 -1.45 0.54 0.00 0.00 0.00 179.25 178.11 1nwd n ARG 74 N -4.96 0.57 -0.15 0.00 3.00 -0.17 -4.94 116.66 110.01 1nwd n ARG 74 Ca -0.04 0.53 0.00 0.00 -0.01 0.00 0.00 57.85 58.33 1nwd n ARG 74 Cb 0.13 -1.71 0.00 0.00 0.00 0.00 0.00 32.46 30.87 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 -4.40 -0.16 -0.91 5.56 4.81 0.29 -3.92 118.16 119.43 1nwd n LYS 75 Ca -0.35 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1nwd n LYS 75 Cb 0.71 -0.12 0.00 0.00 0.02 0.00 0.00 35.03 35.64 1nwd n LYS 75 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1nwd n MET 76 N -0.37 -0.96 -1.75 1.64 1.56 -1.26 -4.69 117.12 111.28 1nwd n MET 76 Ca 0.00 1.10 -0.38 0.00 -0.27 0.00 0.00 57.70 58.15 1nwd n MET 76 Cb 0.00 -0.89 -0.03 0.00 2.15 0.00 0.00 33.22 34.45 1nwd n MET 76 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 1nwd s LYS 77 N -2.35 2.47 0.15 2.12 2.20 -1.26 -4.65 119.74 118.43 1nwd s LYS 77 Ca 0.00 1.23 -0.24 0.00 -0.36 0.00 0.00 55.97 56.60 1nwd s LYS 77 Cb 0.00 -4.47 0.07 0.00 -1.51 0.00 0.00 37.83 31.92 1nwd s LYS 77 CO 0.00 -2.87 0.67 0.34 -0.36 0.00 0.00 175.35 173.13 1nwd s ASP 78 N 10.01 -0.49 0.01 1.43 2.15 -1.26 -4.77 116.67 123.75 1nwd s ASP 78 Ca 0.87 -0.10 -0.18 0.00 0.43 0.00 0.00 52.55 53.57 1nwd s ASP 78 Cb -0.18 0.59 -0.10 0.00 -0.30 0.00 0.00 42.92 42.93 1nwd s ASP 78 CO 0.26 -0.98 1.03 0.71 -0.17 0.00 0.00 175.17 176.03 1nwd h THR 79 N 2.00 0.00 -0.95 1.71 1.35 -2.00 -3.20 112.91 111.81 1nwd h THR 79 Ca -0.30 -0.14 -0.50 0.00 -0.55 0.00 0.00 66.41 64.92 1nwd h THR 79 Cb 1.29 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 67.55 1nwd h THR 79 CO 0.34 0.00 0.61 0.47 -0.25 0.00 0.00 175.52 176.70 1nwd n ASP 80 N -4.09 6.57 -0.35 5.36 8.00 -1.26 -4.68 116.55 126.10 1nwd n ASP 80 Ca -0.08 -3.11 -0.02 0.00 0.71 0.00 0.00 54.79 52.29 1nwd n ASP 80 Cb 0.25 -1.27 0.11 0.00 -0.02 0.00 0.00 41.12 40.19 1nwd n ASP 80 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1nwd h SER 81 N 3.23 1.06 -0.46 -2.24 4.64 -1.82 -3.16 113.55 114.80 1nwd h SER 81 Ca 0.42 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.74 1nwd h SER 81 Cb 0.75 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1nwd h SER 81 CO 0.90 0.75 0.31 1.05 -0.87 0.00 0.00 176.83 178.96 1nwd h GLU 82 N 1.25 0.53 0.00 4.77 4.11 -1.84 -2.37 114.58 121.03 1nwd h GLU 82 Ca 0.36 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 59.67 1nwd h GLU 82 Cb -0.09 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1nwd h GLU 82 CO -0.09 0.35 -0.40 0.93 0.07 0.00 0.00 179.01 179.87 1nwd h GLU 83 N 0.55 0.00 -0.41 1.06 5.08 -1.85 -3.04 114.58 115.98 1nwd h GLU 83 Ca 0.18 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.62 1nwd h GLU 83 Cb 0.04 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 1nwd h GLU 83 CO -0.04 0.40 -0.10 1.49 -1.00 0.00 0.00 179.01 179.76 1nwd h GLU 84 N 0.00 0.00 -0.90 2.33 4.22 -1.56 -0.44 114.58 118.24 1nwd h GLU 84 Ca -0.00 -0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.49 1nwd h GLU 84 Cb 0.72 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 1nwd h GLU 84 CO 0.05 0.00 0.59 0.82 -2.18 0.00 0.00 179.01 178.29 1nwd h ILE 85 N 0.00 1.11 -0.46 2.32 1.08 -1.65 -1.25 117.51 118.66 1nwd h ILE 85 Ca 0.20 -0.37 -0.11 0.00 -0.39 0.00 0.00 64.86 64.19 1nwd h ILE 85 Cb 0.30 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 33.98 1nwd h ILE 85 CO -0.42 0.20 -0.16 0.03 -0.69 0.00 0.00 178.15 177.11 1nwd h ARG 86 N 1.07 0.89 -0.25 2.37 3.08 -1.20 -0.61 114.38 119.73 1nwd h ARG 86 Ca 0.37 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1nwd h ARG 86 Cb 0.11 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1nwd h ARG 86 CO -0.13 0.98 0.10 0.93 -1.07 0.00 0.00 179.97 180.79 1nwd h GLU 87 N 0.78 0.37 -0.72 0.04 3.07 -0.75 -1.53 114.58 115.84 1nwd h GLU 87 Ca 0.12 -0.06 0.05 0.00 -0.50 0.00 0.00 59.36 58.96 1nwd h GLU 87 Cb 0.69 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.48 1nwd h GLU 87 CO 0.05 0.40 0.43 0.00 -1.40 0.00 0.00 179.01 178.49 1nwd h ALA 88 N 0.95 0.96 -0.61 3.43 0.00 -1.13 -2.57 119.26 120.30 1nwd h ALA 88 Ca 0.08 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1nwd h ALA 88 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1nwd h ALA 88 CO -0.01 0.16 0.04 0.74 0.00 0.00 0.00 179.25 180.19 1nwd h PHE 89 N 0.81 1.12 -0.76 0.00 -1.00 -1.03 -2.67 116.94 113.41 1nwd h PHE 89 Ca 0.31 -0.17 0.09 0.00 2.81 0.00 0.00 57.97 61.01 1nwd h PHE 89 Cb 0.12 -0.30 -0.07 0.00 3.61 0.00 0.00 35.95 39.30 1nwd h PHE 89 CO -0.05 0.97 0.40 0.00 -1.61 0.00 0.00 178.31 178.02 1nwd h ARG 90 N 0.97 0.66 -0.79 1.51 2.47 -0.89 0.23 114.38 118.53 1nwd h ARG 90 Ca 0.18 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.82 1nwd h ARG 90 Cb 0.49 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.63 1nwd h ARG 90 CO 0.02 0.44 0.33 0.28 0.56 0.00 0.00 179.97 181.60 1nwd h VAL 91 N 0.68 1.26 0.00 2.04 2.07 -1.30 -3.38 116.25 117.63 1nwd h VAL 91 Ca 0.37 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1nwd h VAL 91 Cb 0.36 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1nwd h VAL 91 CO -0.26 0.33 0.00 0.49 0.02 0.00 0.00 177.57 178.15 1nwd n PHE 92 N -4.31 0.00 -2.55 1.57 3.72 -0.81 -4.79 117.46 110.29 1nwd n PHE 92 Ca 0.07 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.04 1nwd n PHE 92 Cb 0.17 -0.36 -0.02 0.00 -0.94 0.00 0.00 39.48 38.33 1nwd n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1nwd s ASP 93 N -2.43 7.00 0.15 4.37 2.15 0.75 -4.65 116.67 124.01 1nwd s ASP 93 Ca 0.00 1.47 -0.05 0.00 0.43 0.00 0.00 52.55 54.40 1nwd s ASP 93 Cb 0.00 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.06 1nwd s ASP 93 CO 0.00 -0.75 1.39 0.11 -0.17 0.00 0.00 175.17 175.75 1nwd h LYS 94 N 7.90 0.53 0.07 4.34 1.79 -1.82 -3.36 116.57 126.02 1nwd h LYS 94 Ca -0.22 -0.44 -0.16 0.00 -2.18 0.00 0.00 60.65 57.65 1nwd h LYS 94 Cb 1.08 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1nwd h LYS 94 CO 0.98 1.07 -0.76 0.38 -1.08 0.00 0.00 179.45 180.04 1nwd h ASP 95 N 0.36 0.24 -3.30 0.86 3.04 -1.93 -3.50 116.42 112.19 1nwd h ASP 95 Ca -0.04 -0.89 0.00 0.00 -3.24 0.00 0.00 57.03 52.86 1nwd h ASP 95 Cb 1.35 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.56 1nwd h ASP 95 CO 0.14 1.34 -0.03 0.61 -2.04 0.00 0.00 179.24 179.26 1nwd n GLY 96 N 1.64 -0.56 0.00 7.15 0.00 -1.26 -5.04 105.19 107.12 1nwd n GLY 96 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.85 0.99 -2.41 1.61 6.94 -1.26 -5.01 115.26 115.26 1nwd n ASN 97 Ca 0.01 -1.44 -0.12 0.00 -0.02 0.00 0.00 54.58 53.01 1nwd n ASN 97 Cb 0.33 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.80 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 -0.22 0.00 3.19 4.83 0.00 -1.26 -5.03 105.19 106.70 1nwd n GLY 98 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.21 -1.77 -0.51 1.61 2.02 -1.25 -4.18 117.35 110.07 1nwd s TYR 99 Ca 0.13 0.48 -0.25 0.00 -0.37 0.00 0.00 57.07 57.06 1nwd s TYR 99 Cb -0.06 0.32 0.03 0.00 -0.40 0.00 0.00 41.96 41.85 1nwd s TYR 99 CO 0.44 -1.15 0.96 0.42 -1.57 0.00 0.00 175.55 174.64 1nwd s ILE 100 N 2.12 4.40 0.56 2.71 1.01 -0.49 -4.73 121.20 126.77 1nwd s ILE 100 Ca 0.14 0.55 -0.18 0.00 0.00 0.00 0.00 60.65 61.16 1nwd s ILE 100 Cb -0.06 -4.51 -0.05 0.00 0.01 0.00 0.00 42.46 37.86 1nwd s ILE 100 CO -0.12 -1.00 1.11 -0.44 0.00 0.00 0.00 174.94 174.49 1nwd s SER 101 N 2.58 5.66 0.22 3.58 0.01 -1.26 -1.89 113.70 122.60 1nwd s SER 101 Ca 0.35 2.10 -0.09 0.00 1.31 0.00 0.00 55.95 59.62 1nwd s SER 101 Cb -0.11 -2.57 0.18 0.00 0.21 0.00 0.00 66.02 63.73 1nwd s SER 101 CO 0.23 -1.25 1.87 0.00 0.41 0.00 0.00 173.24 174.49 1nwd h ALA 102 N 0.97 1.05 -0.60 1.44 0.00 -1.94 -2.38 119.26 117.79 1nwd h ALA 102 Ca -0.49 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.38 1nwd h ALA 102 Cb 1.25 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1nwd h ALA 102 CO 0.57 0.51 0.32 0.00 0.00 0.00 0.00 179.25 180.64 1nwd h ALA 103 N 1.27 0.79 -0.64 0.00 0.00 -1.93 -1.89 119.26 116.86 1nwd h ALA 103 Ca 0.30 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1nwd h ALA 103 Cb -0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1nwd h ALA 103 CO -0.06 -0.02 0.18 0.93 0.00 0.00 0.00 179.25 180.29 1nwd h GLU 104 N 0.60 1.01 -0.74 0.00 5.08 -1.83 -0.80 114.58 117.89 1nwd h GLU 104 Ca 0.27 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1nwd h GLU 104 Cb 0.17 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1nwd h GLU 104 CO -0.18 0.90 0.27 -0.07 -1.00 0.00 0.00 179.01 178.93 1nwd h LEU 105 N 0.93 1.05 -0.15 1.33 3.38 -1.24 -1.90 115.31 118.71 1nwd h LEU 105 Ca 0.20 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1nwd h LEU 105 Cb 0.32 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1nwd h LEU 105 CO -0.00 0.95 0.06 -0.09 0.09 0.00 0.00 178.44 179.45 1nwd h ARG 106 N 1.08 0.14 -0.47 1.13 1.12 -1.17 -3.11 114.38 113.11 1nwd h ARG 106 Ca 0.24 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 59.10 1nwd h ARG 106 Cb 0.25 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.16 1nwd h ARG 106 CO -0.02 0.09 0.28 1.25 -3.11 0.00 0.00 179.97 178.46 1nwd h HIS 107 N 0.15 0.62 -0.16 2.20 2.76 -0.77 -1.67 115.15 118.27 1nwd h HIS 107 Ca 0.06 -0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.07 1nwd h HIS 107 Cb 0.02 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 1nwd h HIS 107 CO -0.10 0.44 -0.55 -0.24 -1.30 0.00 0.00 177.93 176.18 1nwd h VAL 108 N 0.62 1.33 -0.35 5.26 3.04 -1.45 -1.39 116.25 123.31 1nwd h VAL 108 Ca 0.17 -1.82 -0.02 0.00 -1.01 0.00 0.00 66.70 64.02 1nwd h VAL 108 Cb 0.01 1.81 -0.02 0.00 -2.01 0.00 0.00 31.29 31.08 1nwd h VAL 108 CO -0.03 0.56 0.13 0.24 -1.01 0.00 0.00 177.57 177.45 1nwd h MET 109 N 0.37 0.54 -0.01 4.17 2.86 -1.44 -3.07 114.93 118.35 1nwd h MET 109 Ca 0.01 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1nwd h MET 109 Cb 1.08 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 1nwd h MET 109 CO 0.10 0.54 -0.21 1.15 1.06 0.00 0.00 176.91 179.56 1nwd h THR 110 N 0.42 1.15 -0.89 2.22 2.02 -1.21 -2.95 112.91 113.67 1nwd h THR 110 Ca 0.12 -0.72 0.14 0.00 0.77 0.00 0.00 66.41 66.71 1nwd h THR 110 Cb 0.22 1.38 -0.09 0.00 -1.74 0.00 0.00 68.15 67.92 1nwd h THR 110 CO -0.01 0.21 0.50 -1.13 0.37 0.00 0.00 175.52 175.46 1nwd h ASN 111 N 0.01 0.67 0.77 4.18 -0.73 -1.15 -2.25 115.58 117.08 1nwd h ASN 111 Ca 0.00 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.21 1nwd h ASN 111 Cb 0.37 -0.04 -0.00 0.00 0.27 0.00 0.00 38.32 38.91 1nwd h ASN 111 CO 0.03 0.31 -0.45 -0.07 -0.37 0.00 0.00 177.43 176.88 1nwd h LEU 112 N 0.74 -1.12 0.00 0.34 4.07 -1.60 -3.47 115.31 114.27 1nwd h LEU 112 Ca 0.47 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.49 1nwd h LEU 112 Cb 0.59 0.32 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1nwd h LEU 112 CO -0.32 -0.71 0.00 0.61 -1.08 0.00 0.00 178.44 176.94 1nwd n GLY 113 N -1.60 0.00 2.49 0.83 0.00 -0.85 -5.14 105.19 100.93 1nwd n GLY 113 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 0.62 -0.84 1.61 0.41 -1.25 -5.05 118.70 114.21 1nwd s GLU 114 Ca 0.00 -1.40 -0.25 0.00 -0.41 0.00 0.00 54.97 52.91 1nwd s GLU 114 Cb 0.00 -1.23 0.00 0.00 -1.78 0.00 0.00 34.13 31.13 1nwd s GLU 114 CO 0.00 -1.24 1.63 0.15 -0.49 0.00 0.00 175.26 175.31 1nwd s LYS 115 N 0.94 3.02 0.03 1.61 1.02 -1.26 -3.97 119.74 121.13 1nwd s LYS 115 Ca 0.21 -0.33 0.06 0.00 0.02 0.00 0.00 55.97 55.93 1nwd s LYS 115 Cb -0.17 -4.80 -0.03 0.00 -0.52 0.00 0.00 37.83 32.31 1nwd s LYS 115 CO -0.03 -2.61 -0.16 -0.51 -0.92 0.00 0.00 175.35 171.12 1nwd s LEU 116 N 7.36 2.71 -0.49 3.17 1.43 -1.26 -5.05 118.68 126.54 1nwd s LEU 116 Ca 0.54 -0.36 -0.31 0.00 -1.03 0.00 0.00 54.13 52.98 1nwd s LEU 116 Cb -0.06 -1.58 -0.11 0.00 0.03 0.00 0.00 46.19 44.47 1nwd s LEU 116 CO 0.05 0.27 2.35 0.35 0.23 0.00 0.00 176.35 179.60 1nwd n THR 117 N 1.63 0.08 0.30 5.49 -2.24 -1.26 -4.85 114.28 113.43 1nwd n THR 117 Ca -0.16 -0.40 0.15 0.00 -2.27 0.00 0.00 64.05 61.38 1nwd n THR 117 Cb 0.52 -1.88 0.92 0.00 -2.10 0.00 0.00 70.33 67.80 1nwd n THR 117 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1nwd h ASP 118 N 14.76 0.00 -0.64 3.42 3.04 -2.01 -3.08 116.42 131.91 1nwd h ASP 118 Ca -0.23 0.00 0.19 0.00 -3.24 0.00 0.00 57.03 53.74 1nwd h ASP 118 Cb 1.30 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.56 1nwd h ASP 118 CO 1.12 0.01 0.47 1.05 -2.04 0.00 0.00 179.24 179.85 1nwd h GLU 119 N 0.00 0.00 -0.28 4.15 4.11 -2.01 -1.58 114.58 118.97 1nwd h GLU 119 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 1nwd h GLU 119 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1nwd h GLU 119 CO 0.00 0.00 -0.26 0.93 0.07 0.00 0.00 179.01 179.75 1nwd h GLU 120 N 0.00 0.56 0.06 1.06 4.39 -1.94 -2.66 114.58 116.05 1nwd h GLU 120 Ca 0.31 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.81 1nwd h GLU 120 Cb 1.25 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.83 1nwd h GLU 120 CO -0.00 0.77 -0.24 0.28 -1.16 0.00 0.00 179.01 178.65 1nwd h VAL 121 N 0.49 0.45 -0.97 3.13 2.07 -1.53 -2.16 116.25 117.74 1nwd h VAL 121 Ca 0.07 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.73 1nwd h VAL 121 Cb 0.71 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 1nwd h VAL 121 CO 0.05 0.00 0.61 -0.78 0.02 0.00 0.00 177.57 177.48 1nwd h ASP 122 N -0.41 0.82 0.46 0.57 3.58 -1.58 -0.55 116.42 119.31 1nwd h ASP 122 Ca 0.05 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 1nwd h ASP 122 Cb 0.46 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1nwd h ASP 122 CO -0.18 0.41 -0.22 -0.08 -2.88 0.00 0.00 179.24 176.29 1nwd h GLU 123 N 0.86 -0.59 0.00 0.28 4.57 -1.07 -1.59 114.58 117.04 1nwd h GLU 123 Ca 0.49 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.71 1nwd h GLU 123 Cb 0.63 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1nwd h GLU 123 CO -0.26 -0.34 0.00 0.00 -1.18 0.00 0.00 179.01 177.22 1nwd n MET 124 N -5.32 0.22 0.11 1.92 0.00 -0.86 -2.57 117.12 110.62 1nwd n MET 124 Ca -0.11 0.05 -0.07 0.00 0.00 0.00 0.00 57.70 57.56 1nwd n MET 124 Cb 0.28 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 31.96 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 0.21 -0.50 3.17 2.04 -1.01 -3.39 117.51 118.03 1nwd h ILE 125 Ca 0.00 -0.81 0.14 0.00 1.00 0.00 0.00 64.86 65.19 1nwd h ILE 125 Cb 0.32 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1nwd h ILE 125 CO 0.00 0.06 0.36 0.03 0.00 0.00 0.00 178.15 178.59 1nwd h ARG 126 N -1.06 0.02 -0.16 2.37 3.08 -1.01 -1.99 114.38 115.63 1nwd h ARG 126 Ca -0.04 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.06 1nwd h ARG 126 Cb 0.37 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1nwd h ARG 126 CO 0.06 0.01 0.23 1.05 -1.07 0.00 0.00 179.97 180.26 1nwd h GLU 127 N 0.02 0.00 -0.53 0.04 -0.00 -1.74 -3.07 114.58 109.30 1nwd h GLU 127 Ca 0.24 0.00 -0.29 0.00 -0.00 0.00 0.00 59.36 59.30 1nwd h GLU 127 Cb 0.92 0.00 -0.27 0.00 -0.00 0.00 0.00 28.75 29.40 1nwd h GLU 127 CO -0.01 0.00 -0.77 0.00 -0.00 0.00 0.00 179.01 178.23 1nwd n ALA 128 N -2.22 2.15 -3.19 1.06 0.00 -0.79 -5.03 120.51 112.49 1nwd n ALA 128 Ca 0.01 -2.21 -0.46 0.00 0.00 0.00 0.00 53.44 50.79 1nwd n ALA 128 Cb 0.34 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.11 6.84 0.02 0.00 -1.08 -0.94 -4.67 116.67 114.72 1nwd s ASP 129 Ca 0.25 -2.67 -0.27 0.00 -0.52 0.00 0.00 52.55 49.34 1nwd s ASP 129 Cb 0.42 -2.28 -0.17 0.00 -1.46 0.00 0.00 42.92 39.43 1nwd s ASP 129 CO -0.03 -0.68 1.31 0.40 0.52 0.00 0.00 175.17 176.69 1nwd h ILE 130 N 4.90 0.53 0.65 4.11 2.04 -1.91 -3.32 117.51 124.51 1nwd h ILE 130 Ca 0.15 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1nwd h ILE 130 Cb 1.00 0.71 0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1nwd h ILE 130 CO 0.93 0.07 -0.31 -0.78 0.00 0.00 0.00 178.15 178.06 1nwd h ASP 131 N -0.82 -0.73 -2.62 1.72 3.58 -1.94 -3.49 116.42 112.11 1nwd h ASP 131 Ca -0.06 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1nwd h ASP 131 Cb 0.55 0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1nwd h ASP 131 CO 0.10 -0.42 0.00 0.61 -2.88 0.00 0.00 179.24 176.65 1nwd n GLY 132 N -0.96 -0.39 2.75 -0.78 0.00 -1.25 -5.06 105.19 99.50 1nwd n GLY 132 Ca -0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.59 0.71 -2.27 1.61 5.75 -1.26 -4.99 116.55 115.51 1nwd n ASP 133 Ca 0.00 -2.28 -0.16 0.00 -0.01 0.00 0.00 54.79 52.34 1nwd n ASP 133 Cb 0.15 -0.16 -0.02 0.00 -1.03 0.00 0.00 41.12 40.06 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 -0.61 -0.19 3.42 6.12 0.00 -1.26 -4.94 105.19 107.72 1nwd n GLY 134 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.77 1.55 -0.21 1.61 -0.21 -1.26 -3.47 119.66 112.89 1nwd s GLN 135 Ca 0.00 -1.56 -0.03 0.00 0.02 0.00 0.00 55.36 53.79 1nwd s GLN 135 Cb 0.00 0.39 0.07 0.00 1.00 0.00 0.00 33.01 34.47 1nwd s GLN 135 CO 0.00 -0.60 0.05 0.08 -2.12 0.00 0.00 175.29 172.70 1nwd s VAL 136 N -3.77 0.50 0.96 1.09 1.01 -0.79 -4.82 120.40 114.58 1nwd s VAL 136 Ca 0.31 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 1nwd s VAL 136 Cb 0.02 -1.09 0.19 0.00 0.00 0.00 0.00 36.38 35.50 1nwd s VAL 136 CO 0.14 -0.31 1.27 0.21 0.00 0.00 0.00 175.10 176.42 1nwd s ASN 137 N 1.85 3.13 0.08 3.32 2.47 -1.26 -1.40 114.94 123.14 1nwd s ASN 137 Ca 0.01 0.42 -0.23 0.00 0.42 0.00 0.00 52.86 53.48 1nwd s ASN 137 Cb -0.17 -0.58 -0.15 0.00 -1.45 0.00 0.00 41.25 38.91 1nwd s ASN 137 CO -0.12 -2.74 1.70 1.88 -3.72 0.00 0.00 177.10 174.11 1nwd h TYR 138 N -1.64 0.03 0.00 0.43 0.05 -2.00 -0.07 116.97 113.77 1nwd h TYR 138 Ca -0.45 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1nwd h TYR 138 Cb 1.26 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.99 1nwd h TYR 138 CO -0.95 0.06 0.03 -0.85 -1.05 0.00 0.00 178.16 175.39 1nwd n GLU 139 N -5.06 0.00 -0.11 4.88 0.28 -1.26 -2.53 120.64 116.84 1nwd n GLU 139 Ca -0.07 0.47 -0.24 0.00 -0.16 0.00 0.00 57.16 57.16 1nwd n GLU 139 Cb 0.05 -1.53 -0.08 0.00 1.43 0.00 0.00 31.44 31.31 1nwd n GLU 139 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1nwd n GLU 140 N -1.47 0.49 0.07 3.44 1.02 -0.99 -4.25 120.64 118.95 1nwd n GLU 140 Ca 0.00 0.21 -0.13 0.00 -0.02 0.00 0.00 57.16 57.22 1nwd n GLU 140 Cb 0.03 -1.32 -0.07 0.00 -0.02 0.00 0.00 31.44 30.06 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 -0.83 -1.15 -0.66 -0.32 3.57 -0.72 0.13 116.94 116.95 1nwd h PHE 141 Ca -0.58 0.04 0.04 0.00 3.53 0.00 0.00 57.97 60.99 1nwd h PHE 141 Cb 1.50 0.50 -0.04 0.00 2.79 0.00 0.00 35.95 40.70 1nwd h PHE 141 CO -0.08 -0.49 0.40 0.28 -2.23 0.00 0.00 178.31 176.19 1nwd h VAL 142 N -0.58 1.06 0.00 1.41 2.07 -1.76 -3.04 116.25 115.41 1nwd h VAL 142 Ca 0.04 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1nwd h VAL 142 Cb 0.65 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1nwd h VAL 142 CO -0.29 0.14 -0.25 -0.61 0.02 0.00 0.00 177.57 176.58 1nwd h GLN 143 N 0.78 0.00 0.19 1.57 5.75 -1.49 0.12 115.11 122.03 1nwd h GLN 143 Ca 0.27 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.76 1nwd h GLN 143 Cb 0.06 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.61 1nwd h GLN 143 CO -0.12 0.25 -0.09 0.52 -2.65 0.00 0.00 178.83 176.73 1nwd h MET 144 N 0.00 -0.25 0.00 1.69 2.86 -0.66 -1.42 114.93 117.15 1nwd h MET 144 Ca -0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1nwd h MET 144 Cb 0.72 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.43 1nwd h MET 144 CO 0.03 -0.14 -0.01 -1.33 1.06 0.00 0.00 176.91 176.52 1nwd n MET 145 N -5.19 0.05 -2.95 1.72 2.81 -1.10 -3.81 117.12 108.66 1nwd n MET 145 Ca -0.09 0.04 -0.25 0.00 -1.81 0.00 0.00 57.70 55.60 1nwd n MET 145 Cb 0.14 -1.56 -0.03 0.00 -0.71 0.00 0.00 33.22 31.05 1nwd n MET 145 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1nwd n THR 146 N -1.66 2.35 -1.71 2.03 -1.04 0.39 -4.99 114.28 109.65 1nwd n THR 146 Ca 0.07 -5.29 -0.42 0.00 -2.04 0.00 0.00 64.05 56.37 1nwd n THR 146 Cb 0.36 -1.12 -0.01 0.00 -1.82 0.00 0.00 70.33 67.74 1nwd n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nwd n ALA 147 N -0.16 5.06 0.48 2.41 0.00 -0.55 -4.58 120.51 123.17 1nwd n ALA 147 Ca 0.30 -3.79 0.04 0.00 0.00 0.00 0.00 53.44 49.99 1nwd n ALA 147 Cb 0.47 -3.56 0.23 0.00 0.00 0.00 0.00 19.45 16.59 1nwd n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67