#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 0.08 -4.70 0.00 8.00 -1.26 -5.11 116.55 113.57 1nwd n ASP 2 Ca 0.00 0.04 -0.26 0.00 0.71 0.00 0.00 54.79 55.28 1nwd n ASP 2 Cb 0.00 -0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.20 1nwd n ASP 2 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1nwd s GLN 3 N -2.00 1.74 0.02 -1.24 -0.21 -1.26 -4.97 119.66 111.75 1nwd s GLN 3 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 54.91 1nwd s GLN 3 Cb 0.00 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.88 1nwd s GLN 3 CO 0.00 -1.55 0.00 1.28 -2.12 0.00 0.00 175.29 172.90 1nwd n LEU 4 N -3.09 -4.31 -4.69 2.90 4.77 -1.26 -5.02 117.00 106.30 1nwd n LEU 4 Ca 0.11 1.46 -0.31 0.00 -0.03 0.00 0.00 56.01 57.24 1nwd n LEU 4 Cb 0.60 -2.13 0.16 0.00 -2.33 0.00 0.00 43.42 39.72 1nwd n LEU 4 CO 0.49 -1.40 0.68 0.28 -1.33 0.00 0.00 177.39 176.10 1nwd s THR 5 N -0.30 2.26 -2.00 -5.08 -1.32 -1.26 -4.92 115.64 103.02 1nwd s THR 5 Ca 0.00 0.09 0.10 0.00 -1.21 0.00 0.00 61.69 60.66 1nwd s THR 5 Cb 0.00 -2.18 0.28 0.00 -1.51 0.00 0.00 72.50 69.09 1nwd s THR 5 CO 0.00 -0.11 1.21 -0.62 -2.21 0.00 0.00 174.62 172.89 1nwd n GLU 6 N -4.14 0.79 0.00 7.08 1.02 -1.26 -3.47 120.64 120.66 1nwd n GLU 6 Ca 0.11 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.12 1nwd n GLU 6 Cb 0.52 -1.20 -0.10 0.00 -0.02 0.00 0.00 31.44 30.65 1nwd n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1nwd h GLU 7 N 0.00 -0.04 -0.05 3.49 5.08 -2.00 -3.17 114.58 117.89 1nwd h GLU 7 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1nwd h GLU 7 Cb 0.00 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1nwd h GLU 7 CO 0.00 0.43 -0.16 1.96 -1.00 0.00 0.00 179.01 180.24 1nwd h GLN 8 N -0.54 -0.23 -0.83 2.33 4.20 -1.95 -1.03 115.11 117.06 1nwd h GLN 8 Ca -0.00 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1nwd h GLN 8 Cb 0.49 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.29 1nwd h GLN 8 CO 0.01 -0.15 0.44 -0.84 -0.67 0.00 0.00 178.83 177.61 1nwd h ILE 9 N -0.24 1.25 -0.68 2.54 -0.00 -1.78 -0.93 117.51 117.67 1nwd h ILE 9 Ca 0.07 -0.63 -0.03 0.00 -0.00 0.00 0.00 64.86 64.27 1nwd h ILE 9 Cb 0.34 0.14 -0.03 0.00 -0.00 0.00 0.00 36.82 37.27 1nwd h ILE 9 CO -0.20 0.28 0.30 0.00 -0.00 0.00 0.00 178.15 178.53 1nwd h ALA 10 N 1.32 0.88 -0.43 0.16 0.00 -1.45 -1.20 119.26 118.54 1nwd h ALA 10 Ca 0.29 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1nwd h ALA 10 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1nwd h ALA 10 CO -0.04 0.47 -0.01 0.93 0.00 0.00 0.00 179.25 180.60 1nwd h GLU 11 N 0.95 0.76 -0.50 0.00 5.08 -0.70 -0.97 114.58 119.20 1nwd h GLU 11 Ca 0.23 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1nwd h GLU 11 Cb 0.17 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1nwd h GLU 11 CO -0.02 0.83 0.18 0.74 -1.00 0.00 0.00 179.01 179.74 1nwd h PHE 12 N 0.59 0.78 -0.19 4.33 0.04 -1.13 -0.66 116.94 120.70 1nwd h PHE 12 Ca 0.12 -0.07 0.03 0.00 2.80 0.00 0.00 57.97 60.86 1nwd h PHE 12 Cb 0.50 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 1nwd h PHE 12 CO 0.04 0.66 -0.02 -0.22 -0.60 0.00 0.00 178.31 178.17 1nwd h LYS 13 N 0.67 0.03 -0.47 1.51 3.64 -1.13 -2.91 116.57 117.91 1nwd h LYS 13 Ca 0.16 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1nwd h LYS 13 Cb 0.23 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1nwd h LYS 13 CO -0.01 0.02 0.24 1.49 -2.27 0.00 0.00 179.45 178.92 1nwd h GLU 14 N 0.03 0.67 -0.44 1.90 4.57 -1.06 -2.07 114.58 118.19 1nwd h GLU 14 Ca 0.09 -0.09 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1nwd h GLU 14 Cb 0.12 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 1nwd h GLU 14 CO -0.17 0.55 0.07 0.00 -1.18 0.00 0.00 179.01 178.28 1nwd h ALA 15 N 1.08 0.46 -0.04 2.92 0.00 -0.99 -2.15 119.26 120.54 1nwd h ALA 15 Ca 0.16 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1nwd h ALA 15 Cb 0.10 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1nwd h ALA 15 CO -0.02 -0.33 0.02 0.35 0.00 0.00 0.00 179.25 179.26 1nwd h PHE 16 N 0.19 0.05 -0.69 0.00 3.57 -1.50 -3.28 116.94 115.29 1nwd h PHE 16 Ca 0.22 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.89 1nwd h PHE 16 Cb 0.28 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1nwd h PHE 16 CO -0.23 0.17 0.48 1.03 -2.23 0.00 0.00 178.31 177.54 1nwd h SER 17 N -0.08 0.12 0.27 0.41 0.87 -0.75 -1.63 113.55 112.76 1nwd h SER 17 Ca 0.01 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1nwd h SER 17 Cb 0.14 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1nwd h SER 17 CO -0.00 0.06 -0.25 0.25 -0.53 0.00 0.00 176.83 176.36 1nwd h LEU 18 N 0.13 -0.66 -0.23 2.23 5.85 -1.49 -3.16 115.31 117.98 1nwd h LEU 18 Ca 0.33 0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.96 1nwd h LEU 18 Cb 1.14 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1nwd h LEU 18 CO -0.04 -0.37 -0.45 -0.26 -0.34 0.00 0.00 178.44 176.98 1nwd h PHE 19 N -0.54 0.89 -0.91 1.25 -1.00 -1.64 -3.35 116.94 111.64 1nwd h PHE 19 Ca -0.01 -0.32 -0.72 0.00 2.81 0.00 0.00 57.97 59.72 1nwd h PHE 19 Cb 0.49 -0.17 -0.10 0.00 3.61 0.00 0.00 35.95 39.78 1nwd h PHE 19 CO -0.15 1.11 2.35 -3.47 -1.61 0.00 0.00 178.31 176.53 1nwd n ASP 20 N -4.17 4.65 -0.29 2.17 2.03 -0.65 -4.79 116.55 115.51 1nwd n ASP 20 Ca -0.05 -2.96 -0.05 0.00 0.52 0.00 0.00 54.79 52.25 1nwd n ASP 20 Cb 0.57 -1.61 0.07 0.00 -0.72 0.00 0.00 41.12 39.42 1nwd n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1nwd h LYS 21 N 6.43 1.11 0.10 -0.67 1.79 -1.70 -3.28 116.57 120.34 1nwd h LYS 21 Ca 0.46 -0.14 0.02 0.00 -2.18 0.00 0.00 60.65 58.80 1nwd h LYS 21 Cb 0.72 -0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 31.12 1nwd h LYS 21 CO 1.62 0.83 -0.30 -0.44 -1.08 0.00 0.00 179.45 180.08 1nwd h ASP 22 N 1.09 -0.88 0.00 0.86 5.19 -1.90 -3.48 116.42 117.31 1nwd h ASP 22 Ca 0.27 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 1nwd h ASP 22 Cb 0.07 0.34 0.00 0.00 0.18 0.00 0.00 39.33 39.91 1nwd h ASP 22 CO -0.04 -0.39 0.00 0.61 -3.12 0.00 0.00 179.24 176.30 1nwd n GLY 23 N -1.41 0.84 0.44 2.75 0.00 -1.24 -5.00 105.19 101.57 1nwd n GLY 23 Ca -0.06 -0.12 0.25 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 1.86 0.24 -1.30 1.61 3.04 -1.92 -3.46 116.42 116.50 1nwd h ASP 24 Ca 0.00 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 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 0.08 0.00 0.61 -2.04 0.00 0.00 179.24 177.89 1nwd n GLY 25 N -1.60 0.64 2.94 7.15 0.00 -1.26 -5.06 105.19 108.00 1nwd n GLY 25 Ca 0.21 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 1nwd n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwd s THR 26 N -2.67 -0.66 -1.28 2.61 -4.23 -1.26 -3.93 115.64 104.21 1nwd s THR 26 Ca 0.00 -0.32 -0.17 0.00 -1.18 0.00 0.00 61.69 60.03 1nwd s THR 26 Cb 0.00 -0.90 0.10 0.00 1.34 0.00 0.00 72.50 73.04 1nwd s THR 26 CO 0.00 -0.27 1.68 -0.38 -0.54 0.00 0.00 174.62 175.11 1nwd n ILE 27 N 5.20 4.02 -1.03 2.99 5.41 -1.18 -4.87 119.36 129.90 1nwd n ILE 27 Ca 0.03 -4.24 -0.29 0.00 1.00 0.00 0.00 62.75 59.25 1nwd n ILE 27 Cb 0.50 -2.39 0.20 0.00 -0.71 0.00 0.00 39.64 37.24 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 3.40 1.96 0.19 1.39 -1.32 -1.26 -4.20 115.64 115.79 1nwd s THR 28 Ca 0.50 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.87 1nwd s THR 28 Cb 0.03 -2.40 0.10 0.00 -1.51 0.00 0.00 72.50 68.71 1nwd s THR 28 CO 0.05 0.00 1.79 0.71 -2.21 0.00 0.00 174.62 174.96 1nwd h THR 29 N -2.16 0.94 -0.65 5.08 1.35 -1.89 -2.61 112.91 112.96 1nwd h THR 29 Ca -0.56 -0.18 0.13 0.00 -0.55 0.00 0.00 66.41 65.25 1nwd h THR 29 Cb 1.33 0.37 -0.09 0.00 -1.73 0.00 0.00 68.15 68.03 1nwd h THR 29 CO 0.54 0.10 0.16 0.11 -0.25 0.00 0.00 175.52 176.17 1nwd h LYS 30 N 0.53 0.27 -0.11 4.72 1.57 -1.98 -2.69 116.57 118.88 1nwd h LYS 30 Ca 0.25 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1nwd h LYS 30 Cb 0.17 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1nwd h LYS 30 CO -0.18 0.18 0.07 1.49 -0.57 0.00 0.00 179.45 180.44 1nwd h GLU 31 N 0.28 0.15 -0.81 3.15 4.81 -1.82 0.16 114.58 120.50 1nwd h GLU 31 Ca 0.35 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.65 1nwd h GLU 31 Cb 0.55 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.83 1nwd h GLU 31 CO -0.44 0.14 0.48 -0.07 -0.73 0.00 0.00 179.01 178.40 1nwd h LEU 32 N 0.12 0.71 0.10 1.64 3.38 -1.52 -1.26 115.31 118.47 1nwd h LEU 32 Ca 0.04 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1nwd h LEU 32 Cb 0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1nwd h LEU 32 CO -0.01 0.42 -0.23 1.23 0.09 0.00 0.00 178.44 179.94 1nwd h GLY 33 N 0.83 -0.42 0.84 0.83 0.00 -1.06 -2.77 103.07 101.32 1nwd h GLY 33 Ca 0.38 0.28 0.02 0.00 0.00 0.00 0.00 47.33 48.00 1nwd h GLY 33 CO -0.22 -0.21 0.07 -0.84 0.00 0.00 0.00 176.54 175.35 1nwd h THR 34 N -0.42 0.95 -0.15 4.70 2.02 -0.51 -0.23 112.91 119.27 1nwd h THR 34 Ca 0.03 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.20 1nwd h THR 34 Cb 0.46 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.58 1nwd h THR 34 CO -0.14 0.03 -0.21 0.58 0.37 0.00 0.00 175.52 176.14 1nwd h VAL 35 N 0.17 0.47 -0.62 3.16 2.07 -1.26 -0.66 116.25 119.57 1nwd h VAL 35 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 1nwd h VAL 35 Cb 0.05 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1nwd h VAL 35 CO -0.09 0.00 0.40 0.24 0.02 0.00 0.00 177.57 178.15 1nwd h MET 36 N -0.26 0.80 -0.32 1.57 2.86 -1.28 -2.99 114.93 115.32 1nwd h MET 36 Ca 0.11 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1nwd h MET 36 Cb 0.42 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1nwd h MET 36 CO -0.30 0.53 0.12 -0.09 1.06 0.00 0.00 176.91 178.22 1nwd h ARG 37 N 0.82 0.48 -0.16 1.72 1.12 -0.37 0.36 114.38 118.36 1nwd h ARG 37 Ca 0.23 -0.09 0.05 0.00 -1.11 0.00 0.00 59.98 59.06 1nwd h ARG 37 Cb -0.07 -0.07 -0.06 0.00 -0.01 0.00 0.00 29.97 29.75 1nwd h ARG 37 CO -0.06 0.50 -0.22 1.03 -3.11 0.00 0.00 179.97 178.11 1nwd h SER 38 N 0.36 -0.70 0.51 -3.80 0.87 -1.11 -3.06 113.55 106.61 1nwd h SER 38 Ca 0.10 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1nwd h SER 38 Cb 0.21 0.32 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1nwd h SER 38 CO -0.01 -0.27 -0.32 -0.07 -0.53 0.00 0.00 176.83 175.63 1nwd h LEU 39 N -0.27 -0.82 0.00 2.23 3.38 -1.43 -3.48 115.31 114.92 1nwd h LEU 39 Ca 0.11 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1nwd h LEU 39 Cb 0.43 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1nwd h LEU 39 CO -0.32 -0.49 0.00 0.61 0.09 0.00 0.00 178.44 178.33 1nwd n GLY 40 N -1.41 -0.16 2.84 0.83 0.00 -0.31 -5.13 105.19 101.86 1nwd n GLY 40 Ca -0.10 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 0.03 -0.63 1.61 1.11 -0.03 -4.99 119.66 116.76 1nwd s GLN 41 Ca 0.00 0.06 -0.02 0.00 0.01 0.00 0.00 55.36 55.41 1nwd s GLN 41 Cb 0.00 -0.14 0.16 0.00 -1.01 0.00 0.00 33.01 32.02 1nwd s GLN 41 CO 0.00 -0.06 0.44 1.21 0.01 0.00 0.00 175.29 176.89 1nwd s ASN 42 N 0.42 5.13 0.55 5.90 2.47 -1.26 -1.96 114.94 126.19 1nwd s ASN 42 Ca -0.04 -2.94 -0.15 0.00 0.42 0.00 0.00 52.86 50.15 1nwd s ASN 42 Cb -0.05 -1.83 -0.06 0.00 -1.45 0.00 0.00 41.25 37.86 1nwd s ASN 42 CO -0.01 -0.33 1.01 -2.16 -3.72 0.00 0.00 177.10 171.88 1nwd s PRO 43 N -0.19 3.74 -0.08 0.43 0.04 -1.26 -5.05 135.00 132.62 1nwd s PRO 43 Ca 0.18 0.98 -0.21 0.00 0.04 0.00 0.00 61.00 61.98 1nwd s PRO 43 Cb -0.20 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1nwd s PRO 43 CO -0.03 -0.45 0.62 0.95 0.04 0.00 0.00 177.00 178.13 1nwd s THR 44 N -2.68 5.09 0.26 1.26 -4.23 -1.26 -5.00 115.64 109.09 1nwd s THR 44 Ca 0.59 1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 62.34 1nwd s THR 44 Cb -0.11 -3.96 0.26 0.00 1.34 0.00 0.00 72.50 70.03 1nwd s THR 44 CO 0.36 0.28 1.87 -0.08 -0.54 0.00 0.00 174.62 176.52 1nwd h GLU 45 N 6.72 1.08 -0.89 3.99 4.81 -1.97 -2.47 114.58 125.85 1nwd h GLU 45 Ca -0.41 -0.07 0.23 0.00 -0.13 0.00 0.00 59.36 58.98 1nwd h GLU 45 Cb 1.19 -0.24 -0.13 0.00 0.63 0.00 0.00 28.75 30.19 1nwd h GLU 45 CO 0.75 0.72 0.33 0.00 -0.73 0.00 0.00 179.01 180.08 1nwd h ALA 46 N 1.46 1.38 -0.09 2.92 0.00 -2.02 -1.73 119.26 121.18 1nwd h ALA 46 Ca 0.43 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.49 1nwd h ALA 46 Cb 0.21 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nwd h ALA 46 CO -0.19 -0.41 -0.11 0.93 0.00 0.00 0.00 179.25 179.48 1nwd h GLU 47 N 0.31 0.24 -1.05 0.00 4.39 -1.87 -3.29 114.58 113.32 1nwd h GLU 47 Ca 0.56 -0.13 0.27 0.00 0.34 0.00 0.00 59.36 60.40 1nwd h GLU 47 Cb 1.10 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.67 1nwd h GLU 47 CO -0.58 0.68 0.69 -0.07 -1.16 0.00 0.00 179.01 178.56 1nwd h LEU 48 N -0.19 0.38 0.67 1.33 3.38 -1.30 -0.42 115.31 119.16 1nwd h LEU 48 Ca 0.01 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1nwd h LEU 48 Cb 0.64 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.41 1nwd h LEU 48 CO 0.03 0.08 -0.32 -0.61 0.09 0.00 0.00 178.44 177.70 1nwd h GLN 49 N 0.34 -0.86 -0.69 1.13 4.15 -1.58 -3.17 115.11 114.42 1nwd h GLN 49 Ca 0.58 0.06 -0.06 0.00 0.77 0.00 0.00 58.65 60.00 1nwd h GLN 49 Cb 1.58 0.20 -0.03 0.00 0.21 0.00 0.00 27.48 29.44 1nwd h GLN 49 CO -0.25 -0.54 0.20 0.22 -1.93 0.00 0.00 178.83 176.52 1nwd h ASP 50 N -1.07 1.02 -1.05 -0.69 1.82 -1.42 -0.95 116.42 114.08 1nwd h ASP 50 Ca -0.09 -0.20 0.27 0.00 -0.39 0.00 0.00 57.03 56.62 1nwd h ASP 50 Cb 0.72 -0.27 -0.10 0.00 0.68 0.00 0.00 39.33 40.37 1nwd h ASP 50 CO 0.15 0.96 0.67 0.24 -1.61 0.00 0.00 179.24 179.65 1nwd h MET 51 N 1.04 0.39 0.00 0.28 2.86 -1.20 -0.65 114.93 117.65 1nwd h MET 51 Ca 0.22 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.75 1nwd h MET 51 Cb 0.32 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1nwd h MET 51 CO -0.00 0.26 -0.60 0.82 1.06 0.00 0.00 176.91 178.44 1nwd h ILE 52 N 0.40 0.87 0.00 -1.22 2.04 -1.44 -3.41 117.51 114.75 1nwd h ILE 52 Ca 0.61 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1nwd h ILE 52 Cb 1.52 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 1nwd h ILE 52 CO -0.32 0.30 0.00 0.59 0.00 0.00 0.00 178.15 178.72 1nwd n ASN 53 N -4.56 0.00 -0.32 1.72 3.02 -0.39 -2.56 115.26 112.16 1nwd n ASN 53 Ca -0.17 0.19 0.17 0.00 -0.03 0.00 0.00 54.58 54.74 1nwd n ASN 53 Cb 0.46 -0.36 0.41 0.00 -0.61 0.00 0.00 39.78 39.68 1nwd n ASN 53 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1nwd h GLU 54 N 0.00 0.57 0.00 3.52 4.11 -1.37 -3.27 114.58 118.15 1nwd h GLU 54 Ca 0.00 -0.03 -0.35 0.00 0.07 0.00 0.00 59.36 59.05 1nwd h GLU 54 Cb 0.21 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 1nwd h GLU 54 CO 0.00 0.38 -2.03 0.28 0.07 0.00 0.00 179.01 177.71 1nwd n VAL 55 N -4.67 1.52 -1.68 -1.06 0.31 -1.06 -4.80 118.33 106.89 1nwd n VAL 55 Ca 0.23 -0.23 -0.53 0.00 -0.01 0.00 0.00 64.34 63.80 1nwd n VAL 55 Cb 0.67 -1.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.55 1nwd n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1nwd n ASP 56 N -4.33 2.87 0.46 4.52 -0.08 -1.21 -2.85 116.55 115.93 1nwd n ASP 56 Ca -0.43 0.98 -0.18 0.00 -1.51 0.00 0.00 54.79 53.64 1nwd n ASP 56 Cb 0.78 -1.25 -0.09 0.00 2.34 0.00 0.00 41.12 42.90 1nwd n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nwd h ALA 57 N 8.53 -1.18 0.12 -1.67 0.00 -1.89 -3.34 119.26 119.83 1nwd h ALA 57 Ca -0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1nwd h ALA 57 Cb 1.30 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1nwd h ALA 57 CO 0.96 -1.09 -0.06 0.38 0.00 0.00 0.00 179.25 179.44 1nwd h ASP 58 N -1.32 -0.14 -5.40 0.00 2.03 -1.97 -3.49 116.42 106.14 1nwd h ASP 58 Ca -0.12 -0.40 -0.34 0.00 -0.73 0.00 0.00 57.03 55.44 1nwd h ASP 58 Cb 0.90 0.03 0.14 0.00 -0.83 0.00 0.00 39.33 39.58 1nwd h ASP 58 CO 0.20 0.37 -0.66 0.61 -1.03 0.00 0.00 179.24 178.73 1nwd n GLY 59 N 0.30 -0.37 0.15 7.15 0.00 -1.26 -4.94 105.19 106.22 1nwd n GLY 59 Ca -0.08 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1nwd n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1nwd h ASN 60 N -2.19 0.41 0.00 1.61 -1.07 -1.94 -3.49 115.58 108.92 1nwd h ASN 60 Ca -0.53 -0.24 0.00 0.00 0.07 0.00 0.00 56.30 55.60 1nwd h ASN 60 Cb 1.33 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 1nwd h ASN 60 CO 0.49 0.55 0.00 0.61 0.07 0.00 0.00 177.43 179.15 1nwd n GLY 61 N -0.51 -1.21 3.70 9.14 0.00 -1.26 -5.14 105.19 109.91 1nwd n GLY 61 Ca -0.03 0.49 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 1nwd n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nwd n THR 62 N 0.00 0.42 -3.54 2.61 -2.24 -1.26 -4.77 114.28 105.50 1nwd n THR 62 Ca 0.00 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 1nwd n THR 62 Cb 0.00 -1.78 -0.08 0.00 -2.10 0.00 0.00 70.33 66.37 1nwd n THR 62 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1nwd s ILE 63 N 0.59 4.30 0.20 2.28 1.10 -1.26 -4.91 121.20 123.50 1nwd s ILE 63 Ca 0.72 -1.91 -0.03 0.00 -0.51 0.00 0.00 60.65 58.92 1nwd s ILE 63 Cb -0.57 -3.81 0.05 0.00 0.15 0.00 0.00 42.46 38.27 1nwd s ILE 63 CO 0.41 -0.80 0.20 -0.67 -2.11 0.00 0.00 174.94 171.96 1nwd n ASP 64 N 4.76 -0.83 0.40 4.50 2.03 -1.26 -3.12 116.55 123.02 1nwd n ASP 64 Ca -0.06 -0.75 -0.19 0.00 0.52 0.00 0.00 54.79 54.32 1nwd n ASP 64 Cb 0.41 -0.17 -0.09 0.00 -0.72 0.00 0.00 41.12 40.54 1nwd n ASP 64 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1nwd h PHE 65 N -1.54 -1.06 -0.79 -0.67 3.04 -1.98 -0.11 116.94 113.82 1nwd h PHE 65 Ca -0.07 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.82 1nwd h PHE 65 Cb 0.21 0.37 -0.04 0.00 2.56 0.00 0.00 35.95 39.05 1nwd h PHE 65 CO 0.00 -0.62 0.35 -1.35 -2.02 0.00 0.00 178.31 174.66 1nwd h PRO 66 N -1.05 1.16 -0.40 6.41 0.11 -1.96 -2.68 132.00 133.60 1nwd h PRO 66 Ca -0.09 -0.19 -0.11 0.00 0.11 0.00 0.00 66.00 65.71 1nwd h PRO 66 Cb 0.83 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 1nwd h PRO 66 CO 0.12 0.92 -0.19 0.93 -0.21 0.00 0.00 178.00 179.57 1nwd h GLU 67 N 1.14 0.78 -0.05 1.05 5.08 -1.88 -0.84 114.58 119.86 1nwd h GLU 67 Ca 0.27 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1nwd h GLU 67 Cb 0.17 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1nwd h GLU 67 CO -0.03 0.91 0.00 0.35 -1.00 0.00 0.00 179.01 179.24 1nwd h PHE 68 N 0.68 0.09 0.00 4.33 3.04 -0.98 -2.75 116.94 121.37 1nwd h PHE 68 Ca 0.10 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1nwd h PHE 68 Cb 0.70 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.18 1nwd h PHE 68 CO 0.04 0.37 0.08 -0.07 -2.02 0.00 0.00 178.31 176.70 1nwd h LEU 69 N -0.21 0.00 0.36 0.59 3.38 -1.27 -1.29 115.31 116.88 1nwd h LEU 69 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1nwd h LEU 69 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1nwd h LEU 69 CO 0.00 0.00 -0.18 0.74 0.09 0.00 0.00 178.44 179.10 1nwd h THR 70 N 0.00 0.00 -0.94 0.22 2.02 -0.85 -1.47 112.91 111.89 1nwd h THR 70 Ca 0.00 -0.23 0.28 0.00 0.77 0.00 0.00 66.41 67.23 1nwd h THR 70 Cb 0.16 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.41 1nwd h THR 70 CO 0.00 0.00 0.26 0.24 0.37 0.00 0.00 175.52 176.39 1nwd h MET 71 N -0.72 0.13 0.37 6.66 2.86 -1.20 0.28 114.93 123.31 1nwd h MET 71 Ca -0.05 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1nwd h MET 71 Cb 0.38 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1nwd h MET 71 CO 0.08 0.09 -0.18 0.52 1.06 0.00 0.00 176.91 178.48 1nwd h MET 72 N 0.13 -0.48 0.00 1.72 2.07 -1.35 -3.42 114.93 113.60 1nwd h MET 72 Ca 0.63 0.03 0.00 0.00 -2.07 0.00 0.00 59.70 58.29 1nwd h MET 72 Cb 1.36 0.11 0.00 0.00 -1.87 0.00 0.00 31.60 31.20 1nwd h MET 72 CO -0.74 -0.32 0.00 0.00 1.07 0.00 0.00 176.91 176.92 1nwd n ALA 73 N -2.39 0.00 0.08 6.32 0.00 -0.55 -4.79 120.51 119.18 1nwd n ALA 73 Ca -0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 1nwd n ALA 73 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 1nwd n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nwd h ARG 74 N 0.00 -0.21 -0.94 0.00 -0.00 -1.27 -3.49 114.38 108.48 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 0.00 0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.02 1nwd h ARG 74 CO 0.00 -0.14 -0.23 1.17 0.00 0.00 0.00 179.97 180.77 1nwd n LYS 75 N -2.94 -1.16 -2.25 0.04 4.81 0.84 -4.26 118.16 113.23 1nwd n LYS 75 Ca -0.03 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 1nwd n LYS 75 Cb 0.08 -0.97 0.00 0.00 0.02 0.00 0.00 35.03 34.16 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 -0.96 -5.10 -0.45 1.64 1.56 -1.26 -4.59 117.12 107.96 1nwd n MET 76 Ca 0.00 3.70 0.05 0.00 -0.27 0.00 0.00 57.70 61.19 1nwd n MET 76 Cb 0.00 -4.51 -0.03 0.00 2.15 0.00 0.00 33.22 30.83 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 1.78 -1.02 -1.35 2.12 4.81 -1.13 -4.40 118.16 118.97 1nwd n LYS 77 Ca 0.00 0.82 -0.12 0.00 -0.87 0.00 0.00 58.31 58.14 1nwd n LYS 77 Cb 0.00 -1.19 0.11 0.00 0.02 0.00 0.00 35.03 33.97 1nwd n LYS 77 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1nwd n ASP 78 N -2.81 3.64 0.00 3.14 2.03 -1.26 -4.82 116.55 116.47 1nwd n ASP 78 Ca -0.03 -3.81 0.00 0.00 0.52 0.00 0.00 54.79 51.47 1nwd n ASP 78 Cb 0.21 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 1nwd n ASP 78 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1nwd n THR 79 N -0.91 0.00 -2.30 5.18 -2.24 -1.26 -5.06 114.28 107.68 1nwd n THR 79 Ca 0.35 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.70 1nwd n THR 79 Cb 0.86 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 1nwd n THR 79 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1nwd s ASP 80 N 1.15 6.48 0.00 3.42 -4.77 -1.26 -4.72 116.67 116.97 1nwd s ASP 80 Ca 0.00 1.23 0.00 0.00 -3.30 0.00 0.00 52.55 50.48 1nwd s ASP 80 Cb 0.00 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 1nwd s ASP 80 CO 0.00 -1.24 0.00 -1.20 0.70 0.00 0.00 175.17 173.43 1nwd n SER 81 N 8.25 0.00 -0.14 2.11 7.64 -1.26 -4.60 113.62 125.61 1nwd n SER 81 Ca 0.17 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.94 1nwd n SER 81 Cb 0.47 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.75 -0.95 1.43 4.11 -1.81 -2.78 114.58 115.32 1nwd h GLU 82 Ca 0.00 -0.26 0.01 0.00 0.07 0.00 0.00 59.36 59.18 1nwd h GLU 82 Cb 0.00 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1nwd h GLU 82 CO 0.00 0.86 0.63 0.93 0.07 0.00 0.00 179.01 181.50 1nwd h GLU 83 N 0.57 1.25 0.66 1.06 5.08 -1.94 -0.85 114.58 120.41 1nwd h GLU 83 Ca 0.11 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1nwd h GLU 83 Cb 0.55 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1nwd h GLU 83 CO 0.03 0.83 -0.44 0.93 -1.00 0.00 0.00 179.01 179.36 1nwd h GLU 84 N 1.29 -1.00 -0.55 2.33 4.39 -1.80 -2.54 114.58 116.70 1nwd h GLU 84 Ca 0.35 0.07 0.12 0.00 0.34 0.00 0.00 59.36 60.23 1nwd h GLU 84 Cb -0.14 0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 1nwd h GLU 84 CO -0.08 -0.67 0.38 0.82 -1.16 0.00 0.00 179.01 178.31 1nwd h ILE 85 N -1.04 0.84 -0.44 3.13 1.08 -1.39 -1.73 117.51 117.97 1nwd h ILE 85 Ca -0.09 -0.09 -0.06 0.00 -0.39 0.00 0.00 64.86 64.24 1nwd h ILE 85 Cb 0.84 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 35.14 1nwd h ILE 85 CO 0.07 0.05 0.03 -0.09 -0.69 0.00 0.00 178.15 177.51 1nwd h ARG 86 N 0.25 0.69 0.67 2.37 2.43 -0.92 -0.50 114.38 119.37 1nwd h ARG 86 Ca 0.26 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1nwd h ARG 86 Cb 0.69 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1nwd h ARG 86 CO -0.05 0.69 -0.47 1.49 -1.51 0.00 0.00 179.97 180.12 1nwd h GLU 87 N 0.66 -1.05 -0.69 0.20 4.81 -0.89 -3.01 114.58 114.61 1nwd h GLU 87 Ca 0.14 0.07 0.14 0.00 -0.13 0.00 0.00 59.36 59.58 1nwd h GLU 87 Cb 0.37 0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 1nwd h GLU 87 CO 0.01 -0.70 0.47 0.00 -0.73 0.00 0.00 179.01 178.06 1nwd h ALA 88 N -0.93 2.17 -0.09 2.92 0.00 -1.42 -1.70 119.26 120.20 1nwd h ALA 88 Ca -0.09 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1nwd h ALA 88 Cb 0.89 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1nwd h ALA 88 CO 0.05 -0.35 -0.22 0.74 0.00 0.00 0.00 179.25 179.47 1nwd h PHE 89 N 0.34 -0.57 -0.54 0.00 0.04 -0.96 -0.76 116.94 114.49 1nwd h PHE 89 Ca 0.33 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 61.04 1nwd h PHE 89 Cb 0.83 0.27 -0.02 0.00 2.20 0.00 0.00 35.95 39.22 1nwd h PHE 89 CO -0.00 -0.30 -0.03 -0.09 -0.60 0.00 0.00 178.31 177.29 1nwd h ARG 90 N -0.30 0.94 -0.13 1.51 2.43 -1.22 0.16 114.38 117.77 1nwd h ARG 90 Ca 0.09 -0.29 0.01 0.00 -0.81 0.00 0.00 59.98 58.98 1nwd h ARG 90 Cb 0.42 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1nwd h ARG 90 CO -0.26 0.95 0.03 0.28 -1.51 0.00 0.00 179.97 179.46 1nwd h VAL 91 N 0.86 0.95 0.00 0.20 2.07 -1.30 -3.36 116.25 115.66 1nwd h VAL 91 Ca 0.15 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1nwd h VAL 91 Cb 0.55 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1nwd h VAL 91 CO 0.03 0.02 0.00 0.49 0.02 0.00 0.00 177.57 178.13 1nwd n PHE 92 N -5.08 0.00 -2.51 1.57 3.01 -0.30 -4.76 117.46 109.38 1nwd n PHE 92 Ca -0.04 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.99 1nwd n PHE 92 Cb 0.06 -0.42 -0.02 0.00 -0.01 0.00 0.00 39.48 39.09 1nwd n PHE 92 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1nwd s ASP 93 N -2.51 6.88 -1.28 4.37 2.15 0.55 -4.62 116.67 122.21 1nwd s ASP 93 Ca 0.00 1.33 -0.08 0.00 0.43 0.00 0.00 52.55 54.22 1nwd s ASP 93 Cb 0.00 -2.54 -0.08 0.00 -0.30 0.00 0.00 42.92 40.00 1nwd s ASP 93 CO 0.00 -0.88 2.97 0.29 -0.17 0.00 0.00 175.17 177.38 1nwd n LYS 94 N 6.86 3.53 0.00 4.34 4.76 -1.26 -3.24 118.16 133.15 1nwd n LYS 94 Ca 0.13 -2.22 0.00 0.00 -2.87 0.00 0.00 58.31 53.36 1nwd n LYS 94 Cb 0.46 -2.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.03 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 3.00 0.00 -2.10 4.39 5.75 -1.26 -5.09 116.55 121.25 1nwd n ASP 95 Ca 0.69 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 55.46 1nwd n ASP 95 Cb 0.36 0.00 0.01 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 0.00 -0.46 0.16 6.12 0.00 -1.20 -4.93 105.19 104.88 1nwd n GLY 96 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.49 2.07 -3.30 1.61 6.94 -1.26 -4.99 115.26 114.84 1nwd n ASN 97 Ca -0.01 -3.05 -0.16 0.00 -0.02 0.00 0.00 54.58 51.35 1nwd n ASN 97 Cb 0.51 -0.42 0.08 0.00 -2.36 0.00 0.00 39.78 37.60 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 -1.27 -0.61 3.15 4.83 0.00 -1.26 -5.03 105.19 105.01 1nwd n GLY 98 Ca 0.15 0.25 0.04 0.00 0.00 0.00 0.00 46.02 46.46 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 -3.36 -1.45 -0.64 1.61 2.02 -1.25 -4.07 117.35 110.20 1nwd s TYR 99 Ca 0.16 1.19 -0.14 0.00 -0.37 0.00 0.00 57.07 57.91 1nwd s TYR 99 Cb -0.02 0.38 0.16 0.00 -0.40 0.00 0.00 41.96 42.08 1nwd s TYR 99 CO 0.71 -0.82 0.58 0.42 -1.57 0.00 0.00 175.55 174.87 1nwd s ILE 100 N 2.87 5.20 0.78 2.71 1.01 -0.98 -4.80 121.20 127.99 1nwd s ILE 100 Ca 0.15 -1.94 -0.11 0.00 0.00 0.00 0.00 60.65 58.75 1nwd s ILE 100 Cb -0.11 -4.30 0.06 0.00 0.01 0.00 0.00 42.46 38.12 1nwd s ILE 100 CO -0.22 -0.92 1.09 -0.94 0.00 0.00 0.00 174.94 173.95 1nwd s SER 101 N 2.87 4.50 0.14 3.58 1.04 -1.26 -2.68 113.70 121.90 1nwd s SER 101 Ca 0.09 1.76 -0.21 0.00 0.48 0.00 0.00 55.95 58.08 1nwd s SER 101 Cb -0.22 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1nwd s SER 101 CO -0.02 -2.03 1.67 0.00 0.98 0.00 0.00 173.24 173.84 1nwd h ALA 102 N -1.12 0.00 -0.26 5.32 0.00 -1.93 -0.69 119.26 120.58 1nwd h ALA 102 Ca -0.44 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.56 1nwd h ALA 102 Cb 1.23 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1nwd h ALA 102 CO 0.52 -0.57 0.13 0.00 0.00 0.00 0.00 179.25 179.34 1nwd h ALA 103 N 0.99 0.31 -0.17 0.00 0.00 -1.94 -0.42 119.26 118.03 1nwd h ALA 103 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1nwd h ALA 103 Cb 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1nwd h ALA 103 CO -0.28 -0.26 -0.01 0.93 0.00 0.00 0.00 179.25 179.63 1nwd h GLU 104 N 0.28 0.25 -0.02 0.00 5.08 -1.88 -1.42 114.58 116.87 1nwd h GLU 104 Ca 0.10 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.26 1nwd h GLU 104 Cb 0.02 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1nwd h GLU 104 CO -0.07 0.29 -0.75 -0.07 -1.00 0.00 0.00 179.01 177.41 1nwd h LEU 105 N 0.25 0.15 -0.56 1.33 3.38 -0.79 -3.30 115.31 115.78 1nwd h LEU 105 Ca 0.06 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1nwd h LEU 105 Cb 0.19 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1nwd h LEU 105 CO 0.00 0.84 -0.05 -0.09 0.09 0.00 0.00 178.44 179.23 1nwd h ARG 106 N 0.08 1.02 -0.28 1.13 2.43 -0.06 -3.28 114.38 115.42 1nwd h ARG 106 Ca -0.02 -0.35 0.07 0.00 -0.81 0.00 0.00 59.98 58.86 1nwd h ARG 106 Cb 1.31 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.71 1nwd h ARG 106 CO 0.11 1.04 -0.23 0.45 -1.51 0.00 0.00 179.97 179.82 1nwd h HIS 107 N 0.90 -0.61 -0.09 2.20 3.86 -1.42 -1.33 115.15 118.66 1nwd h HIS 107 Ca 0.15 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 1nwd h HIS 107 Cb 0.61 0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 1nwd h HIS 107 CO 0.04 -0.31 -0.02 -0.24 0.86 0.00 0.00 177.93 178.27 1nwd h VAL 108 N -0.22 1.07 0.44 2.45 3.04 -1.69 -0.28 116.25 121.06 1nwd h VAL 108 Ca 0.15 -0.29 -0.02 0.00 -1.01 0.00 0.00 66.70 65.53 1nwd h VAL 108 Cb 0.45 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 1nwd h VAL 108 CO -0.41 0.09 -0.21 0.24 -1.01 0.00 0.00 177.57 176.28 1nwd h MET 109 N 0.12 -0.57 -0.04 4.17 2.07 -1.44 -3.33 114.93 115.92 1nwd h MET 109 Ca 0.03 0.04 -0.06 0.00 -2.07 0.00 0.00 59.70 57.64 1nwd h MET 109 Cb 0.12 0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 29.97 1nwd h MET 109 CO 0.00 -0.26 -0.24 1.15 1.07 0.00 0.00 176.91 178.63 1nwd h THR 110 N -0.91 1.19 -0.81 2.22 2.02 -0.99 -2.96 112.91 112.67 1nwd h THR 110 Ca -0.06 -0.91 0.20 0.00 0.77 0.00 0.00 66.41 66.40 1nwd h THR 110 Cb 0.57 1.44 -0.14 0.00 -1.74 0.00 0.00 68.15 68.29 1nwd h THR 110 CO 0.10 0.27 0.09 0.78 0.37 0.00 0.00 175.52 177.12 1nwd h ASN 111 N 0.05 -0.23 0.14 4.18 4.21 -1.16 -1.88 115.58 120.90 1nwd h ASN 111 Ca 0.01 0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.71 1nwd h ASN 111 Cb 0.47 0.32 0.00 0.00 -1.12 0.00 0.00 38.32 37.99 1nwd h ASN 111 CO 0.03 -0.17 -0.07 -0.07 -1.29 0.00 0.00 177.43 175.87 1nwd h LEU 112 N 0.14 -0.16 0.00 1.61 3.38 -1.68 -3.48 115.31 115.13 1nwd h LEU 112 Ca 0.47 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1nwd h LEU 112 Cb 0.87 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1nwd h LEU 112 CO -0.67 -0.03 0.00 0.61 0.09 0.00 0.00 178.44 178.45 1nwd n GLY 113 N -0.92 0.38 2.68 0.83 0.00 -0.70 -5.13 105.19 102.33 1nwd n GLY 113 Ca -0.08 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 1.57 -1.37 1.61 0.41 -1.25 -5.03 118.70 114.64 1nwd s GLU 114 Ca 0.00 -2.48 -0.14 0.00 -0.41 0.00 0.00 54.97 51.93 1nwd s GLU 114 Cb 0.00 -2.43 0.08 0.00 -1.78 0.00 0.00 34.13 30.00 1nwd s GLU 114 CO 0.00 -1.27 1.98 1.63 -0.49 0.00 0.00 175.26 177.11 1nwd n LYS 115 N 2.81 3.12 -4.12 1.61 4.76 -1.26 -4.35 118.16 120.74 1nwd n LYS 115 Ca 0.19 -3.04 -0.30 0.00 -2.87 0.00 0.00 58.31 52.29 1nwd n LYS 115 Cb 0.39 -3.25 -0.07 0.00 -1.84 0.00 0.00 35.03 30.25 1nwd n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1nwd s LEU 116 N 2.18 3.54 -0.09 -0.35 1.43 -1.26 -5.08 118.68 119.06 1nwd s LEU 116 Ca 0.47 -0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 53.12 1nwd s LEU 116 Cb 0.09 -2.25 -0.06 0.00 0.03 0.00 0.00 46.19 44.01 1nwd s LEU 116 CO -0.02 0.16 1.86 0.42 0.23 0.00 0.00 176.35 179.00 1nwd s THR 117 N -1.39 3.29 -1.13 5.49 -4.23 -1.26 -4.89 115.64 111.52 1nwd s THR 117 Ca 0.27 0.34 0.15 0.00 -1.18 0.00 0.00 61.69 61.27 1nwd s THR 117 Cb -0.11 -3.27 0.17 0.00 1.34 0.00 0.00 72.50 70.63 1nwd s THR 117 CO 0.19 -0.08 1.46 -0.90 -0.54 0.00 0.00 174.62 174.75 1nwd n ASP 118 N 8.38 0.00 -0.33 3.99 5.68 -1.26 -3.42 116.55 129.59 1nwd n ASP 118 Ca 0.21 0.37 0.10 0.00 -0.50 0.00 0.00 54.79 54.97 1nwd n ASP 118 Cb 0.43 -0.43 0.31 0.00 -1.14 0.00 0.00 41.12 40.29 1nwd n ASP 118 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1nwd h GLU 119 N 0.00 0.81 -0.47 0.11 4.11 -2.00 -1.15 114.58 115.99 1nwd h GLU 119 Ca 0.00 -0.05 0.10 0.00 0.07 0.00 0.00 59.36 59.48 1nwd h GLU 119 Cb 0.22 -0.18 -0.09 0.00 0.50 0.00 0.00 28.75 29.19 1nwd h GLU 119 CO 0.00 0.54 -0.17 0.93 0.07 0.00 0.00 179.01 180.37 1nwd h GLU 120 N 0.83 -0.07 -0.24 1.06 3.07 -1.98 -1.81 114.58 115.45 1nwd h GLU 120 Ca 0.50 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.41 1nwd h GLU 120 Cb 0.68 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.56 1nwd h GLU 120 CO -0.27 -0.04 -0.04 0.28 -1.40 0.00 0.00 179.01 177.53 1nwd h VAL 121 N -0.07 0.78 -0.75 3.13 2.07 -1.47 -2.44 116.25 117.50 1nwd h VAL 121 Ca 0.22 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.81 1nwd h VAL 121 Cb 0.41 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1nwd h VAL 121 CO -0.52 0.00 0.43 0.44 0.02 0.00 0.00 177.57 177.94 1nwd h ASP 122 N 0.02 0.64 0.84 0.57 3.32 -1.17 -0.98 116.42 119.65 1nwd h ASP 122 Ca 0.12 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1nwd h ASP 122 Cb 0.17 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.64 1nwd h ASP 122 CO -0.23 0.40 -0.40 -0.33 -1.72 0.00 0.00 179.24 176.95 1nwd h GLU 123 N 0.77 -1.08 0.00 3.56 5.08 -1.00 -1.93 114.58 119.98 1nwd h GLU 123 Ca 0.34 0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.75 1nwd h GLU 123 Cb 0.23 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1nwd h GLU 123 CO -0.20 -0.72 -0.12 0.00 -1.00 0.00 0.00 179.01 176.97 1nwd h MET 124 N -1.15 0.00 0.92 2.33 -0.00 -1.32 0.56 114.93 116.28 1nwd h MET 124 Ca -0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.54 1nwd h MET 124 Cb 0.87 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.47 1nwd h MET 124 CO 0.19 0.12 -0.44 0.82 -0.00 0.00 0.00 176.91 177.60 1nwd h ILE 125 N 0.00 0.03 0.00 -0.10 2.04 -1.18 -3.28 117.51 115.02 1nwd h ILE 125 Ca -0.00 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1nwd h ILE 125 Cb 0.49 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1nwd h ILE 125 CO 0.02 0.00 -0.01 0.03 0.00 0.00 0.00 178.15 178.19 1nwd h ARG 126 N -1.31 0.00 -0.05 2.37 2.47 -0.47 -1.14 114.38 116.25 1nwd h ARG 126 Ca -0.13 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.61 1nwd h ARG 126 Cb 0.95 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.26 1nwd h ARG 126 CO 0.21 0.01 0.09 0.93 0.56 0.00 0.00 179.97 181.77 1nwd h GLU 127 N 0.00 0.00 -0.40 0.04 5.08 -0.98 -3.26 114.58 115.06 1nwd h GLU 127 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1nwd h GLU 127 Cb 0.06 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.11 1nwd h GLU 127 CO 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 179.01 177.41 1nwd n ALA 128 N -2.20 -0.37 -3.47 3.43 0.00 -0.53 -5.05 120.51 112.32 1nwd n ALA 128 Ca -0.02 -1.83 -0.42 0.00 0.00 0.00 0.00 53.44 51.17 1nwd n ALA 128 Cb 0.18 -1.15 -0.04 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 -1.53 6.49 0.03 0.00 -1.08 -0.61 -4.72 116.67 115.24 1nwd s ASP 129 Ca 0.28 -3.22 -0.28 0.00 -0.52 0.00 0.00 52.55 48.81 1nwd s ASP 129 Cb 0.27 -2.08 -0.16 0.00 -1.46 0.00 0.00 42.92 39.49 1nwd s ASP 129 CO -0.11 -0.36 1.28 0.40 0.52 0.00 0.00 175.17 176.89 1nwd h ILE 130 N 4.38 0.31 0.36 4.11 2.04 -1.91 -3.26 117.51 123.53 1nwd h ILE 130 Ca 0.12 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1nwd h ILE 130 Cb 0.93 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1nwd h ILE 130 CO 0.84 0.04 -0.28 -0.78 0.00 0.00 0.00 178.15 177.97 1nwd h ASP 131 N -1.01 -0.72 -3.19 1.72 3.58 -1.93 -3.49 116.42 111.38 1nwd h ASP 131 Ca -0.08 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1nwd h ASP 131 Cb 0.66 0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1nwd h ASP 131 CO 0.13 -0.42 -0.02 0.61 -2.88 0.00 0.00 179.24 176.66 1nwd n GLY 132 N -1.40 -0.55 2.75 -0.78 0.00 -1.23 -5.05 105.19 98.93 1nwd n GLY 132 Ca -0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.79 0.72 0.00 1.61 5.75 -1.26 -4.98 116.55 117.60 1nwd n ASP 133 Ca 0.00 -2.27 0.00 0.00 -0.01 0.00 0.00 54.79 52.52 1nwd n ASP 133 Cb 0.28 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 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 -0.62 0.25 3.60 6.12 0.00 -1.26 -4.97 105.19 108.31 1nwd n GLY 134 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1nwd n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nwd s GLN 135 N -1.05 2.05 -0.27 1.61 -0.21 -1.26 -2.99 119.66 117.54 1nwd s GLN 135 Ca 0.00 -2.28 -0.04 0.00 0.02 0.00 0.00 55.36 53.05 1nwd s GLN 135 Cb 0.00 -0.87 0.09 0.00 1.00 0.00 0.00 33.01 33.23 1nwd s GLN 135 CO 0.00 -0.48 0.12 0.08 -2.12 0.00 0.00 175.29 172.89 1nwd s VAL 136 N -3.09 -0.06 1.08 1.09 1.01 -1.09 -4.76 120.40 114.57 1nwd s VAL 136 Ca 0.16 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 1nwd s VAL 136 Cb 0.01 -0.92 0.23 0.00 0.00 0.00 0.00 36.38 35.70 1nwd s VAL 136 CO 0.11 -0.66 1.09 0.21 0.00 0.00 0.00 175.10 175.84 1nwd s ASN 137 N 2.10 1.90 0.10 3.32 3.84 -1.26 -2.31 114.94 122.63 1nwd s ASN 137 Ca 0.08 1.07 -0.23 0.00 0.21 0.00 0.00 52.86 53.99 1nwd s ASN 137 Cb -0.16 -1.65 -0.13 0.00 -0.55 0.00 0.00 41.25 38.77 1nwd s ASN 137 CO -0.33 -3.57 1.73 0.22 -2.79 0.00 0.00 177.10 172.37 1nwd h TYR 138 N -2.19 -0.03 -0.40 0.43 5.03 -1.96 -0.87 116.97 116.97 1nwd h TYR 138 Ca -0.53 0.00 0.07 0.00 2.58 0.00 0.00 58.73 60.84 1nwd h TYR 138 Cb 1.33 0.02 -0.06 0.00 1.55 0.00 0.00 36.73 39.57 1nwd h TYR 138 CO -0.33 -0.02 0.06 1.05 -1.32 0.00 0.00 178.16 177.60 1nwd h GLU 139 N -0.01 0.18 -0.52 1.82 4.11 -1.95 -2.87 114.58 115.34 1nwd h GLU 139 Ca 0.02 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.44 1nwd h GLU 139 Cb 0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1nwd h GLU 139 CO -0.04 0.12 0.32 0.93 0.07 0.00 0.00 179.01 180.41 1nwd h GLU 140 N 0.19 0.70 -0.06 1.06 5.08 -1.80 -1.35 114.58 118.40 1nwd h GLU 140 Ca 0.20 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1nwd h GLU 140 Cb 0.25 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1nwd h GLU 140 CO -0.27 0.50 -0.06 0.35 -1.00 0.00 0.00 179.01 178.53 1nwd h PHE 141 N 0.69 -0.14 0.77 4.33 3.57 -1.06 0.00 116.94 125.11 1nwd h PHE 141 Ca 0.19 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1nwd h PHE 141 Cb -0.02 0.07 0.01 0.00 2.79 0.00 0.00 35.95 38.79 1nwd h PHE 141 CO -0.03 -0.09 -0.37 0.28 -2.23 0.00 0.00 178.31 175.87 1nwd h VAL 142 N -0.07 0.24 0.00 1.41 2.07 -1.38 -3.12 116.25 115.39 1nwd h VAL 142 Ca 0.04 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1nwd h VAL 142 Cb 0.13 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1nwd h VAL 142 CO -0.10 0.00 0.00 -0.61 0.02 0.00 0.00 177.57 176.88 1nwd h GLN 143 N -1.05 0.00 -0.21 1.57 4.15 -1.16 -0.84 115.11 117.57 1nwd h GLN 143 Ca -0.11 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.15 1nwd h GLN 143 Cb 0.80 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1nwd h GLN 143 CO 0.17 0.00 -0.51 1.98 -1.93 0.00 0.00 178.83 178.54 1nwd h MET 144 N 0.00 0.72 0.00 1.69 4.05 -1.02 -2.67 114.93 117.70 1nwd h MET 144 Ca 0.00 -0.49 -0.05 0.00 -0.28 0.00 0.00 59.70 58.88 1nwd h MET 144 Cb 0.41 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 1nwd h MET 144 CO 0.00 1.11 -0.25 0.52 0.23 0.00 0.00 176.91 178.53 1nwd h MET 145 N 0.44 0.00 -1.93 0.39 2.86 -1.34 -3.26 114.93 112.09 1nwd h MET 145 Ca -0.00 0.00 -0.70 0.00 -2.06 0.00 0.00 59.70 56.94 1nwd h MET 145 Cb 1.12 0.00 -0.34 0.00 0.06 0.00 0.00 31.60 32.45 1nwd h MET 145 CO 0.11 0.25 0.26 2.41 1.06 0.00 0.00 176.91 181.00 1nwd n THR 146 N -3.51 3.57 -2.32 2.22 -1.04 -0.38 -4.97 114.28 107.86 1nwd n THR 146 Ca -0.00 -4.97 -0.36 0.00 -2.04 0.00 0.00 64.05 56.67 1nwd n THR 146 Cb 0.41 -1.32 -0.04 0.00 -1.82 0.00 0.00 70.33 67.56 1nwd n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nwd s ALA 147 N -3.87 2.32 -0.55 2.41 0.00 -1.02 -4.78 121.76 116.28 1nwd s ALA 147 Ca 0.48 -1.57 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1nwd s ALA 147 Cb 0.36 -4.44 0.03 0.00 0.00 0.00 0.00 23.12 19.08 1nwd s ALA 147 CO -0.26 -3.94 0.64 1.63 0.00 0.00 0.00 175.76 173.83