#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 -1.52 -4.79 0.00 2.03 -1.26 -5.02 116.55 105.98 1nwd n ASP 2 Ca 0.00 1.06 -0.32 0.00 0.52 0.00 0.00 54.79 56.05 1nwd n ASP 2 Cb 0.00 -4.21 0.05 0.00 -0.72 0.00 0.00 41.12 36.24 1nwd n ASP 2 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1nwd s GLN 3 N -0.78 2.85 0.15 -0.67 1.11 -1.26 -4.99 119.66 116.07 1nwd s GLN 3 Ca -0.20 1.16 -0.17 0.00 0.01 0.00 0.00 55.36 56.16 1nwd s GLN 3 Cb 0.01 -1.97 0.02 0.00 -1.01 0.00 0.00 33.01 30.06 1nwd s GLN 3 CO 0.53 -1.18 1.79 -0.07 0.01 0.00 0.00 175.29 176.36 1nwd h LEU 4 N -0.36 0.31 -8.61 2.90 3.38 -2.07 -3.45 115.31 107.41 1nwd h LEU 4 Ca -0.45 0.01 -0.44 0.00 0.09 0.00 0.00 57.88 57.09 1nwd h LEU 4 Cb 1.22 -0.06 -0.19 0.00 0.09 0.00 0.00 40.66 41.73 1nwd h LEU 4 CO 0.55 0.23 -0.77 0.28 0.09 0.00 0.00 178.44 178.82 1nwd s THR 5 N -6.16 1.39 -1.68 0.22 -1.32 -1.26 -5.04 115.64 101.79 1nwd s THR 5 Ca -0.13 -1.68 0.31 0.00 -1.21 0.00 0.00 61.69 58.98 1nwd s THR 5 Cb 0.11 -1.51 0.66 0.00 -1.51 0.00 0.00 72.50 70.24 1nwd s THR 5 CO 0.71 -0.35 2.09 -0.62 -2.21 0.00 0.00 174.62 174.24 1nwd n GLU 6 N 0.64 0.68 -0.36 7.08 1.02 -1.26 -3.84 120.64 124.60 1nwd n GLU 6 Ca -0.16 -0.04 0.01 0.00 -0.02 0.00 0.00 57.16 56.94 1nwd n GLU 6 Cb 0.56 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.64 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 0.10 1.21 -0.04 3.49 4.81 -1.99 -1.70 114.58 120.46 1nwd h GLU 7 Ca 0.00 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1nwd h GLU 7 Cb 0.19 -0.27 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 1nwd h GLU 7 CO 0.00 0.80 -0.28 1.96 -0.73 0.00 0.00 179.01 180.76 1nwd h GLN 8 N 1.25 -0.38 0.03 1.92 1.08 -2.00 -1.18 115.11 115.82 1nwd h GLN 8 Ca 0.40 0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.62 1nwd h GLN 8 Cb 0.02 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1nwd h GLN 8 CO -0.13 -0.26 -0.01 0.82 -0.95 0.00 0.00 178.83 178.30 1nwd h ILE 9 N -0.40 0.98 -0.60 2.54 2.04 -1.70 -1.67 117.51 118.71 1nwd h ILE 9 Ca 0.07 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 65.99 1nwd h ILE 9 Cb 0.50 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 1nwd h ILE 9 CO -0.27 0.01 0.24 0.00 0.00 0.00 0.00 178.15 178.13 1nwd h ALA 10 N 0.92 0.77 -0.29 1.87 0.00 -1.29 -1.18 119.26 120.06 1nwd h ALA 10 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nwd h ALA 10 Cb 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1nwd h ALA 10 CO 0.01 -0.17 0.18 1.49 0.00 0.00 0.00 179.25 180.76 1nwd h GLU 11 N 0.43 0.38 -0.36 0.00 4.81 -0.93 -2.04 114.58 116.88 1nwd h GLU 11 Ca 0.30 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1nwd h GLU 11 Cb 0.34 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1nwd h GLU 11 CO -0.28 0.27 -0.18 0.74 -0.73 0.00 0.00 179.01 178.83 1nwd h PHE 12 N 0.38 0.75 0.34 0.92 0.04 -1.00 -1.32 116.94 117.04 1nwd h PHE 12 Ca 0.10 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 1nwd h PHE 12 Cb -0.02 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 37.94 1nwd h PHE 12 CO -0.05 0.80 -0.16 0.87 -0.60 0.00 0.00 178.31 179.17 1nwd h LYS 13 N 0.60 -0.44 -0.54 1.51 1.57 -1.11 -1.23 116.57 116.94 1nwd h LYS 13 Ca 0.10 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.00 1nwd h LYS 13 Cb 0.64 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.97 1nwd h LYS 13 CO 0.04 -0.28 0.13 1.49 -0.57 0.00 0.00 179.45 180.26 1nwd h GLU 14 N -0.47 0.26 0.19 3.15 4.57 -1.26 -0.80 114.58 120.22 1nwd h GLU 14 Ca -0.05 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1nwd h GLU 14 Cb 0.36 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1nwd h GLU 14 CO 0.08 0.18 -0.09 0.00 -1.18 0.00 0.00 179.01 177.99 1nwd h ALA 15 N 1.41 -0.25 -0.14 2.92 0.00 -1.17 -2.75 119.26 119.28 1nwd h ALA 15 Ca 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1nwd h ALA 15 Cb 0.37 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1nwd h ALA 15 CO -0.34 -0.61 0.04 0.35 0.00 0.00 0.00 179.25 178.70 1nwd h PHE 16 N -0.32 0.23 -0.20 0.00 3.57 -1.05 -3.05 116.94 116.11 1nwd h PHE 16 Ca -0.03 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.50 1nwd h PHE 16 Cb 0.25 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1nwd h PHE 16 CO -0.04 0.34 0.14 0.77 -2.23 0.00 0.00 178.31 177.29 1nwd h SER 17 N 0.04 0.05 -0.25 0.41 0.02 -1.19 -1.43 113.55 111.21 1nwd h SER 17 Ca 0.04 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1nwd h SER 17 Cb 0.23 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 1nwd h SER 17 CO -0.00 0.04 -0.02 0.25 -1.14 0.00 0.00 176.83 175.96 1nwd h LEU 18 N 0.06 -0.13 0.08 5.07 5.85 -1.37 -3.18 115.31 121.70 1nwd h LEU 18 Ca 0.09 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1nwd h LEU 18 Cb 0.29 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1nwd h LEU 18 CO -0.01 -0.03 -0.04 -0.26 -0.34 0.00 0.00 178.44 177.76 1nwd h PHE 19 N 0.06 -0.10 -0.57 1.25 -1.00 -1.58 -3.39 116.94 111.62 1nwd h PHE 19 Ca 0.12 -0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.32 1nwd h PHE 19 Cb 0.16 0.03 -0.05 0.00 3.61 0.00 0.00 35.95 39.70 1nwd h PHE 19 CO -0.21 0.45 1.99 -0.25 -1.61 0.00 0.00 178.31 178.68 1nwd n ASP 20 N -4.85 4.06 -0.24 2.17 9.92 -0.57 -4.76 116.55 122.28 1nwd n ASP 20 Ca -0.08 -2.83 -0.02 0.00 -0.53 0.00 0.00 54.79 51.33 1nwd n ASP 20 Cb 0.29 -1.69 0.09 0.00 -0.64 0.00 0.00 41.12 39.18 1nwd n ASP 20 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1nwd h LYS 21 N 8.04 0.73 -0.27 -1.24 6.56 -1.77 -2.56 116.57 126.06 1nwd h LYS 21 Ca 0.39 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.94 1nwd h LYS 21 Cb 0.85 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 32.33 1nwd h LYS 21 CO 1.48 0.49 0.18 -0.44 -2.06 0.00 0.00 179.45 179.09 1nwd h ASP 22 N 0.76 0.31 0.00 0.86 3.32 -1.91 -3.47 116.42 116.28 1nwd h ASP 22 Ca 0.29 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1nwd h ASP 22 Cb 0.11 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1nwd h ASP 22 CO -0.15 0.24 0.00 0.61 -1.72 0.00 0.00 179.24 178.22 1nwd n GLY 23 N -1.14 0.62 0.23 2.75 0.00 -0.96 -4.93 105.19 101.75 1nwd n GLY 23 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 0.69 0.00 1.61 2.03 -1.92 -3.48 116.42 115.36 1nwd h ASP 24 Ca 0.00 -0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.08 1nwd h ASP 24 Cb 0.01 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.32 1nwd h ASP 24 CO 0.00 0.73 0.00 0.61 -1.03 0.00 0.00 179.24 179.55 1nwd n GLY 25 N -0.63 0.42 3.30 7.15 0.00 -1.26 -4.99 105.19 109.18 1nwd n GLY 25 Ca 0.01 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1nwd n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwd s THR 26 N 0.00 -0.35 -0.28 2.61 -4.23 -1.26 -4.07 115.64 108.06 1nwd s THR 26 Ca 0.00 0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.61 1nwd s THR 26 Cb 0.00 -0.67 0.03 0.00 1.34 0.00 0.00 72.50 73.20 1nwd s THR 26 CO 0.00 0.05 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.49 1nwd s ILE 27 N 2.03 3.08 0.20 2.99 1.01 -0.86 -4.87 121.20 124.77 1nwd s ILE 27 Ca -0.06 -1.14 0.03 0.00 0.00 0.00 0.00 60.65 59.48 1nwd s ILE 27 Cb -0.10 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 1nwd s ILE 27 CO -0.13 0.05 0.09 1.07 0.00 0.00 0.00 174.94 176.02 1nwd n THR 28 N 4.68 0.00 -0.02 2.92 5.66 -1.26 -1.38 114.28 124.88 1nwd n THR 28 Ca -0.15 -1.22 -0.09 0.00 -3.05 0.00 0.00 64.05 59.54 1nwd n THR 28 Cb 0.45 0.49 -0.03 0.00 -1.55 0.00 0.00 70.33 69.70 1nwd n THR 28 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1nwd h THR 29 N 1.40 0.69 -0.68 1.09 1.35 -1.86 -1.65 112.91 113.26 1nwd h THR 29 Ca -0.15 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.76 1nwd h THR 29 Cb 0.62 0.69 -0.05 0.00 -1.73 0.00 0.00 68.15 67.68 1nwd h THR 29 CO 0.23 0.00 0.40 0.11 -0.25 0.00 0.00 175.52 176.01 1nwd h LYS 30 N -0.10 0.74 0.24 4.72 1.79 -1.98 -0.38 116.57 121.60 1nwd h LYS 30 Ca 0.10 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1nwd h LYS 30 Cb 0.24 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1nwd h LYS 30 CO -0.23 0.49 -0.12 1.49 -1.08 0.00 0.00 179.45 180.01 1nwd h GLU 31 N 0.76 -0.31 -0.85 3.15 4.81 -1.88 -2.23 114.58 118.03 1nwd h GLU 31 Ca 0.29 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.60 1nwd h GLU 31 Cb 0.11 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1nwd h GLU 31 CO -0.15 -0.02 0.56 -0.07 -0.73 0.00 0.00 179.01 178.60 1nwd h LEU 32 N -0.61 0.84 -0.47 1.64 -0.00 -1.24 -1.63 115.31 113.84 1nwd h LEU 32 Ca -0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.93 1nwd h LEU 32 Cb 0.44 -0.17 -0.07 0.00 -0.00 0.00 0.00 40.66 40.86 1nwd h LEU 32 CO 0.05 0.54 0.08 1.23 -0.00 0.00 0.00 178.44 180.35 1nwd h GLY 33 N 0.95 0.56 1.00 0.83 0.00 -0.98 -1.41 103.07 104.03 1nwd h GLY 33 Ca 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 1nwd h GLY 33 CO -0.13 -0.07 -0.10 -0.84 0.00 0.00 0.00 176.54 175.40 1nwd h THR 34 N 0.22 0.80 0.27 4.70 2.02 -0.69 -1.64 112.91 118.60 1nwd h THR 34 Ca 0.24 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1nwd h THR 34 Cb 0.32 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1nwd h THR 34 CO -0.32 0.00 -0.29 0.58 0.37 0.00 0.00 175.52 175.87 1nwd h VAL 35 N -0.28 0.39 -0.25 3.16 2.07 -1.20 0.19 116.25 120.33 1nwd h VAL 35 Ca -0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1nwd h VAL 35 Cb 0.21 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1nwd h VAL 35 CO 0.05 0.00 0.07 0.24 0.02 0.00 0.00 177.57 177.95 1nwd h MET 36 N -0.60 0.17 -0.31 1.57 2.86 -1.30 -2.83 114.93 114.49 1nwd h MET 36 Ca -0.01 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.50 1nwd h MET 36 Cb 0.56 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1nwd h MET 36 CO -0.07 0.11 -0.26 -0.09 1.06 0.00 0.00 176.91 177.66 1nwd h ARG 37 N 0.18 0.73 -0.79 1.72 1.12 -0.49 -0.49 114.38 116.36 1nwd h ARG 37 Ca 0.11 -0.37 0.07 0.00 -1.11 0.00 0.00 59.98 58.68 1nwd h ARG 37 Cb 0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.00 1nwd h ARG 37 CO -0.12 0.98 0.52 0.66 -3.11 0.00 0.00 179.97 178.90 1nwd h SER 38 N 0.49 0.74 0.51 -3.80 4.64 -0.93 -2.46 113.55 112.72 1nwd h SER 38 Ca 0.06 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1nwd h SER 38 Cb 0.83 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1nwd h SER 38 CO 0.07 0.47 -0.24 -0.07 -0.87 0.00 0.00 176.83 176.18 1nwd h LEU 39 N 0.83 -0.58 0.00 5.97 3.38 -1.43 -3.49 115.31 120.00 1nwd h LEU 39 Ca 0.35 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1nwd h LEU 39 Cb 0.28 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1nwd h LEU 39 CO -0.13 -0.16 0.00 0.61 0.09 0.00 0.00 178.44 178.85 1nwd n GLY 40 N -0.01 -0.20 3.14 0.83 0.00 -0.49 -5.13 105.19 103.33 1nwd n GLY 40 Ca -0.09 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 0.29 -0.68 1.61 -0.21 -0.31 -4.97 119.66 115.39 1nwd s GLN 41 Ca 0.00 0.52 -0.06 0.00 0.02 0.00 0.00 55.36 55.84 1nwd s GLN 41 Cb 0.00 0.02 0.18 0.00 1.00 0.00 0.00 33.01 34.20 1nwd s GLN 41 CO 0.00 -0.11 0.53 0.54 -2.12 0.00 0.00 175.29 174.13 1nwd s ASN 42 N 0.81 5.64 0.77 5.90 2.20 -1.26 -1.81 114.94 127.20 1nwd s ASN 42 Ca -0.05 -2.81 -0.12 0.00 -0.94 0.00 0.00 52.86 48.94 1nwd s ASN 42 Cb -0.06 -1.95 0.05 0.00 -2.00 0.00 0.00 41.25 37.29 1nwd s ASN 42 CO -0.05 -0.43 1.12 -2.16 -2.94 0.00 0.00 177.10 172.64 1nwd s PRO 43 N 0.01 2.30 -0.02 3.55 0.04 -1.26 -5.06 135.00 134.56 1nwd s PRO 43 Ca 0.17 0.44 -0.23 0.00 0.04 0.00 0.00 61.00 61.41 1nwd s PRO 43 Cb -0.18 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1nwd s PRO 43 CO -0.05 -1.43 0.70 0.99 0.04 0.00 0.00 177.00 177.26 1nwd s THR 44 N -3.33 4.92 0.15 1.26 2.01 -1.26 -5.01 115.64 114.38 1nwd s THR 44 Ca 0.60 1.47 -0.22 0.00 0.31 0.00 0.00 61.69 63.85 1nwd s THR 44 Cb -0.12 -4.04 0.03 0.00 0.01 0.00 0.00 72.50 68.37 1nwd s THR 44 CO 0.52 0.32 1.63 -0.08 -0.69 0.00 0.00 174.62 176.32 1nwd h GLU 45 N 6.19 -0.24 -0.90 4.92 4.22 -1.97 -2.30 114.58 124.51 1nwd h GLU 45 Ca -0.43 0.02 0.16 0.00 0.08 0.00 0.00 59.36 59.19 1nwd h GLU 45 Cb 1.20 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.41 1nwd h GLU 45 CO 0.73 -0.16 0.49 0.00 -2.18 0.00 0.00 179.01 177.89 1nwd h ALA 46 N 0.79 1.39 0.30 2.92 0.00 -2.01 -1.92 119.26 120.74 1nwd h ALA 46 Ca 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1nwd h ALA 46 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1nwd h ALA 46 CO -0.38 -0.07 -0.15 0.93 0.00 0.00 0.00 179.25 179.59 1nwd h GLU 47 N 0.68 -0.39 -1.05 0.00 4.39 -1.91 -3.24 114.58 113.05 1nwd h GLU 47 Ca 0.50 0.03 0.28 0.00 0.34 0.00 0.00 59.36 60.50 1nwd h GLU 47 Cb 0.71 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 29.36 1nwd h GLU 47 CO -0.37 -0.09 0.68 -0.07 -1.16 0.00 0.00 179.01 178.01 1nwd h LEU 48 N -0.70 0.42 0.06 1.33 3.38 -0.81 -0.71 115.31 118.28 1nwd h LEU 48 Ca -0.04 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1nwd h LEU 48 Cb 0.48 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1nwd h LEU 48 CO 0.07 0.07 -0.04 -0.61 0.09 0.00 0.00 178.44 178.02 1nwd h GLN 49 N 0.36 -0.08 -0.86 1.13 -0.00 -1.46 -3.30 115.11 110.91 1nwd h GLN 49 Ca 0.60 0.01 0.09 0.00 -0.00 0.00 0.00 58.65 59.35 1nwd h GLN 49 Cb 1.58 0.02 -0.07 0.00 0.00 0.00 0.00 27.48 29.01 1nwd h GLN 49 CO -0.29 -0.06 0.51 -0.44 0.00 0.00 0.00 178.83 178.55 1nwd h ASP 50 N -0.09 0.75 -0.57 -0.69 3.32 -1.40 -1.04 116.42 116.70 1nwd h ASP 50 Ca -0.01 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.19 1nwd h ASP 50 Cb 0.07 -0.11 -0.11 0.00 0.22 0.00 0.00 39.33 39.40 1nwd h ASP 50 CO 0.01 0.44 -0.30 0.24 -1.72 0.00 0.00 179.24 177.90 1nwd h MET 51 N 0.87 -0.15 0.05 3.56 2.86 -1.24 -0.82 114.93 120.06 1nwd h MET 51 Ca 0.40 0.01 -0.23 0.00 -2.06 0.00 0.00 59.70 57.83 1nwd h MET 51 Cb 0.33 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1nwd h MET 51 CO -0.23 -0.10 -1.20 0.82 1.06 0.00 0.00 176.91 177.26 1nwd h ILE 52 N -0.15 1.05 -0.13 -1.22 1.08 -1.61 -3.40 117.51 113.13 1nwd h ILE 52 Ca 0.24 -2.29 0.04 0.00 -0.39 0.00 0.00 64.86 62.46 1nwd h ILE 52 Cb 0.54 2.56 -0.01 0.00 -3.07 0.00 0.00 36.82 36.84 1nwd h ILE 52 CO -0.65 0.53 0.13 -1.13 -0.69 0.00 0.00 178.15 176.33 1nwd h ASN 53 N -0.69 0.00 -0.46 1.72 -1.24 -1.08 -2.93 115.58 110.91 1nwd h ASN 53 Ca -0.29 0.00 0.09 0.00 0.71 0.00 0.00 56.30 56.80 1nwd h ASN 53 Cb 1.47 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 40.42 1nwd h ASN 53 CO -0.07 0.00 -0.32 -0.08 -1.29 0.00 0.00 177.43 175.67 1nwd h GLU 54 N 0.00 -0.21 -0.44 6.67 4.22 -1.36 -2.40 114.58 121.07 1nwd h GLU 54 Ca 0.06 0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.41 1nwd h GLU 54 Cb 0.31 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1nwd h GLU 54 CO -0.00 -0.14 -0.14 0.28 -2.18 0.00 0.00 179.01 176.83 1nwd h VAL 55 N -0.21 1.26 -2.49 0.32 2.07 -1.80 -3.44 116.25 111.96 1nwd h VAL 55 Ca 0.19 -1.23 -0.54 0.00 0.82 0.00 0.00 66.70 65.94 1nwd h VAL 55 Cb 0.54 1.07 0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1nwd h VAL 55 CO -0.58 0.42 1.16 -0.62 0.02 0.00 0.00 177.57 177.97 1nwd s ASP 56 N -6.70 6.55 0.02 0.57 2.15 -0.90 -4.08 116.67 114.28 1nwd s ASP 56 Ca -0.10 2.47 -0.27 0.00 0.43 0.00 0.00 52.55 55.08 1nwd s ASP 56 Cb 0.13 -2.53 -0.15 0.00 -0.30 0.00 0.00 42.92 40.07 1nwd s ASP 56 CO 0.83 -0.99 1.16 0.00 -0.17 0.00 0.00 175.17 176.01 1nwd h ALA 57 N 9.99 -1.02 -0.58 3.66 0.00 -1.85 -3.29 119.26 126.17 1nwd h ALA 57 Ca -0.45 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.27 1nwd h ALA 57 Cb 1.21 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1nwd h ALA 57 CO 0.95 -0.95 0.37 0.38 0.00 0.00 0.00 179.25 180.00 1nwd h ASP 58 N -1.22 0.62 -3.45 0.00 3.04 -1.92 -3.48 116.42 110.01 1nwd h ASP 58 Ca -0.10 -0.01 -0.05 0.00 -3.24 0.00 0.00 57.03 53.64 1nwd h ASP 58 Cb 0.75 -0.14 0.04 0.00 -1.04 0.00 0.00 39.33 38.94 1nwd h ASP 58 CO 0.16 0.44 -0.16 0.61 -2.04 0.00 0.00 179.24 178.26 1nwd n GLY 59 N -1.26 0.53 0.10 7.15 0.00 -1.24 -5.01 105.19 105.45 1nwd n GLY 59 Ca 0.05 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.20 0.00 0.00 1.61 -0.26 -1.93 -3.48 115.58 111.32 1nwd h ASN 60 Ca -0.11 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 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 0.08 0.05 0.00 0.61 -1.06 0.00 0.00 177.43 177.11 1nwd n GLY 61 N 1.25 1.99 3.58 2.83 0.00 -1.26 -4.94 105.19 108.63 1nwd n GLY 61 Ca 0.02 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.30 3.86 -0.82 2.61 -4.23 -1.26 -4.26 115.64 111.23 1nwd s THR 62 Ca 0.00 0.76 -0.17 0.00 -1.18 0.00 0.00 61.69 61.09 1nwd s THR 62 Cb 0.00 -4.50 0.15 0.00 1.34 0.00 0.00 72.50 69.49 1nwd s THR 62 CO 0.00 -1.18 0.92 -0.63 -0.54 0.00 0.00 174.62 173.19 1nwd s ILE 63 N 5.71 5.02 0.76 2.99 -1.09 -0.48 -4.86 121.20 129.25 1nwd s ILE 63 Ca 0.50 -1.73 -0.13 0.00 -2.23 0.00 0.00 60.65 57.07 1nwd s ILE 63 Cb -0.10 -4.62 0.19 0.00 -1.58 0.00 0.00 42.46 36.34 1nwd s ILE 63 CO 0.26 -1.28 0.73 0.47 -1.23 0.00 0.00 174.94 173.89 1nwd n ASP 64 N 5.70 -1.36 -0.01 3.58 9.92 -1.26 -2.03 116.55 131.08 1nwd n ASP 64 Ca 0.13 -1.00 -0.09 0.00 -0.53 0.00 0.00 54.79 53.30 1nwd n ASP 64 Cb 0.47 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 40.27 1nwd n ASP 64 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1nwd h PHE 65 N -2.14 -0.26 -0.39 1.24 3.04 -1.95 -1.60 116.94 114.89 1nwd h PHE 65 Ca -0.27 0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.75 1nwd h PHE 65 Cb 0.79 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 39.40 1nwd h PHE 65 CO 0.00 -0.16 0.14 -1.35 -2.02 0.00 0.00 178.31 174.92 1nwd h PRO 66 N -0.12 0.30 -0.70 6.41 0.11 -1.95 -2.93 132.00 133.12 1nwd h PRO 66 Ca 0.09 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 1nwd h PRO 66 Cb 0.24 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.25 1nwd h PRO 66 CO -0.21 0.20 0.33 0.93 -0.21 0.00 0.00 178.00 179.04 1nwd h GLU 67 N 0.31 1.00 0.13 1.05 4.39 -1.78 -0.52 114.58 119.16 1nwd h GLU 67 Ca 0.18 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1nwd h GLU 67 Cb 0.16 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1nwd h GLU 67 CO -0.18 0.78 -0.06 0.35 -1.16 0.00 0.00 179.01 178.74 1nwd h PHE 68 N 0.99 -0.17 -0.99 4.33 3.57 -1.27 -0.16 116.94 123.25 1nwd h PHE 68 Ca 0.24 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.92 1nwd h PHE 68 Cb 0.12 0.06 -0.10 0.00 2.79 0.00 0.00 35.95 38.82 1nwd h PHE 68 CO 0.01 0.30 0.61 -0.07 -2.23 0.00 0.00 178.31 176.94 1nwd h LEU 69 N -0.79 0.74 0.00 0.59 4.07 -1.49 -1.62 115.31 116.82 1nwd h LEU 69 Ca -0.02 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1nwd h LEU 69 Cb 0.54 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.22 1nwd h LEU 69 CO 0.03 0.29 0.00 0.41 -1.08 0.00 0.00 178.44 178.09 1nwd n THR 70 N -4.69 0.00 -0.21 0.22 -1.04 -0.21 -2.81 114.28 105.54 1nwd n THR 70 Ca 0.22 1.07 0.00 0.00 -2.04 0.00 0.00 64.05 63.31 1nwd n THR 70 Cb 0.56 -1.98 0.04 0.00 -1.82 0.00 0.00 70.33 67.12 1nwd n THR 70 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1nwd n MET 71 N -1.47 -0.11 0.14 -2.82 0.00 -0.08 -0.49 117.12 112.30 1nwd n MET 71 Ca 0.00 0.85 -0.06 0.00 -0.00 0.00 0.00 57.70 58.49 1nwd n MET 71 Cb 0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 33.22 31.93 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 -0.38 0.01 2.12 2.07 -1.45 -3.32 114.93 113.99 1nwd h MET 72 Ca 0.21 0.03 -0.00 0.00 -2.07 0.00 0.00 59.70 57.87 1nwd h MET 72 Cb 0.35 0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.16 1nwd h MET 72 CO -0.55 -0.25 -0.01 0.00 1.07 0.00 0.00 176.91 177.17 1nwd h ALA 73 N -1.58 -0.04 0.35 6.32 0.00 -1.21 -3.42 119.26 119.67 1nwd h ALA 73 Ca -0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1nwd h ALA 73 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nwd h ALA 73 CO 0.07 -0.04 -0.17 0.00 0.00 0.00 0.00 179.25 179.11 1nwd h ARG 74 N -0.35 -0.45 -1.15 0.00 -0.00 -1.17 -3.47 114.38 107.79 1nwd h ARG 74 Ca -0.00 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 1nwd h ARG 74 Cb 0.01 0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.09 1nwd h ARG 74 CO 0.00 -0.17 0.00 1.17 0.00 0.00 0.00 179.97 180.98 1nwd n LYS 75 N -5.10 0.00 -0.81 0.04 4.81 0.36 -3.75 118.16 113.71 1nwd n LYS 75 Ca -0.08 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 1nwd n LYS 75 Cb 0.25 -0.22 0.00 0.00 0.02 0.00 0.00 35.03 35.08 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 0.84 -2.31 -2.68 1.64 0.00 -1.26 -4.77 117.12 108.58 1nwd n MET 76 Ca 0.00 1.70 -0.42 0.00 0.00 0.00 0.00 57.70 58.97 1nwd n MET 76 Cb 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 33.22 31.31 1nwd n MET 76 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1nwd s LYS 77 N -4.10 3.69 0.07 2.12 2.20 -1.26 -4.81 119.74 117.64 1nwd s LYS 77 Ca 0.00 -1.52 0.01 0.00 -0.36 0.00 0.00 55.97 54.11 1nwd s LYS 77 Cb 0.00 -5.26 -0.01 0.00 -1.51 0.00 0.00 37.83 31.06 1nwd s LYS 77 CO 0.00 -2.08 0.05 -0.25 -0.36 0.00 0.00 175.35 172.72 1nwd n ASP 78 N 8.00 0.02 0.00 1.43 8.00 -1.26 -4.82 116.55 127.93 1nwd n ASP 78 Ca 0.33 -1.45 0.00 0.00 0.71 0.00 0.00 54.79 54.39 1nwd n ASP 78 Cb 0.49 0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 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 -0.14 0.00 -1.62 -3.53 -2.24 -1.26 -4.39 114.28 101.10 1nwd n THR 79 Ca 0.01 0.59 -0.40 0.00 -2.27 0.00 0.00 64.05 61.99 1nwd n THR 79 Cb 0.12 -1.45 -0.02 0.00 -2.10 0.00 0.00 70.33 66.88 1nwd n THR 79 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1nwd n ASP 80 N -1.76 8.35 0.01 3.42 5.75 -1.26 -4.66 116.55 126.41 1nwd n ASP 80 Ca 0.00 -2.82 -0.17 0.00 -0.01 0.00 0.00 54.79 51.78 1nwd n ASP 80 Cb 0.00 -1.48 -0.13 0.00 -1.03 0.00 0.00 41.12 38.49 1nwd n ASP 80 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1nwd h SER 81 N 4.86 0.37 -0.42 -1.12 0.02 -1.87 -2.99 113.55 112.39 1nwd h SER 81 Ca 0.79 -0.86 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1nwd h SER 81 Cb 0.30 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1nwd h SER 81 CO 1.66 1.20 0.28 1.05 -1.14 0.00 0.00 176.83 179.88 1nwd h GLU 82 N -0.40 0.44 -0.96 3.45 4.11 -1.83 -2.31 114.58 117.08 1nwd h GLU 82 Ca -0.08 -0.03 0.01 0.00 0.07 0.00 0.00 59.36 59.33 1nwd h GLU 82 Cb 1.33 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 1nwd h GLU 82 CO 0.10 0.29 0.63 1.49 0.07 0.00 0.00 179.01 181.59 1nwd h GLU 83 N 0.46 1.28 -0.88 1.06 4.22 -1.89 -2.67 114.58 116.16 1nwd h GLU 83 Ca 0.17 -0.09 0.06 0.00 0.08 0.00 0.00 59.36 59.59 1nwd h GLU 83 Cb 0.12 -0.28 -0.06 0.00 0.50 0.00 0.00 28.75 29.03 1nwd h GLU 83 CO -0.04 0.85 0.57 1.49 -2.18 0.00 0.00 179.01 179.71 1nwd h GLU 84 N 1.31 0.98 -0.39 1.92 4.57 -1.26 -1.77 114.58 119.94 1nwd h GLU 84 Ca 0.35 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.44 1nwd h GLU 84 Cb -0.13 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.22 1nwd h GLU 84 CO -0.07 0.65 0.14 0.82 -1.18 0.00 0.00 179.01 179.36 1nwd h ILE 85 N 1.01 1.21 -0.85 2.32 1.08 -1.50 -2.13 117.51 118.64 1nwd h ILE 85 Ca 0.37 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1nwd h ILE 85 Cb 0.17 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 34.79 1nwd h ILE 85 CO -0.13 0.23 0.55 0.03 -0.69 0.00 0.00 178.15 178.14 1nwd h ARG 86 N 0.48 1.14 0.58 2.37 3.08 -1.27 -0.63 114.38 120.13 1nwd h ARG 86 Ca 0.13 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1nwd h ARG 86 Cb 0.23 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1nwd h ARG 86 CO -0.01 0.76 -0.37 0.93 -1.07 0.00 0.00 179.97 180.22 1nwd h GLU 87 N 1.16 -0.87 -0.91 0.04 5.08 -1.29 -2.29 114.58 115.51 1nwd h GLU 87 Ca 0.31 0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.88 1nwd h GLU 87 Cb -0.11 0.20 -0.09 0.00 0.50 0.00 0.00 28.75 29.24 1nwd h GLU 87 CO -0.06 -0.58 0.51 0.00 -1.00 0.00 0.00 179.01 177.87 1nwd h ALA 88 N -0.57 1.40 0.46 3.43 0.00 -1.08 -1.72 119.26 121.17 1nwd h ALA 88 Ca -0.07 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nwd h ALA 88 Cb 0.74 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1nwd h ALA 88 CO 0.06 -0.02 -0.24 0.74 0.00 0.00 0.00 179.25 179.79 1nwd h PHE 89 N 0.72 -0.63 0.00 0.00 0.04 -1.08 -2.58 116.94 113.42 1nwd h PHE 89 Ca 0.49 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.23 1nwd h PHE 89 Cb 0.67 0.21 -0.00 0.00 2.20 0.00 0.00 35.95 39.03 1nwd h PHE 89 CO -0.06 -0.38 -0.10 -0.09 -0.60 0.00 0.00 178.31 177.08 1nwd h ARG 90 N -0.64 0.00 -0.04 1.51 1.12 -0.75 0.17 114.38 115.76 1nwd h ARG 90 Ca -0.06 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.80 1nwd h ARG 90 Cb 0.51 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.47 1nwd h ARG 90 CO 0.09 0.10 -0.03 0.28 -3.11 0.00 0.00 179.97 177.30 1nwd h VAL 91 N 0.00 1.37 0.02 0.20 2.07 -1.32 -3.40 116.25 115.20 1nwd h VAL 91 Ca -0.00 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1nwd h VAL 91 Cb 0.21 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1nwd h VAL 91 CO 0.01 0.31 -0.01 -0.26 0.02 0.00 0.00 177.57 177.65 1nwd h PHE 92 N -0.36 -0.03 -3.98 1.57 -1.00 -0.99 -3.45 116.94 108.70 1nwd h PHE 92 Ca 0.01 -0.00 -0.53 0.00 2.81 0.00 0.00 57.97 60.26 1nwd h PHE 92 Cb 0.52 0.01 0.09 0.00 3.61 0.00 0.00 35.95 40.19 1nwd h PHE 92 CO 0.09 -0.02 0.60 0.34 -1.61 0.00 0.00 178.31 177.72 1nwd s ASP 93 N -2.87 6.02 -0.35 2.17 2.15 0.55 -4.65 116.67 119.69 1nwd s ASP 93 Ca -0.00 2.65 -0.01 0.00 0.43 0.00 0.00 52.55 55.62 1nwd s ASP 93 Cb 0.00 -2.63 0.25 0.00 -0.30 0.00 0.00 42.92 40.24 1nwd s ASP 93 CO 0.01 -1.05 1.98 0.29 -0.17 0.00 0.00 175.17 176.23 1nwd n LYS 94 N -0.25 1.89 0.14 4.34 4.76 -1.26 -4.15 118.16 123.63 1nwd n LYS 94 Ca 0.06 -1.76 0.00 0.00 -2.87 0.00 0.00 58.31 53.73 1nwd n LYS 94 Cb 0.44 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 1nwd n LYS 94 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1nwd n ASP 95 N 0.15 -1.83 -1.98 4.39 8.00 -1.26 -5.11 116.55 118.90 1nwd n ASP 95 Ca 0.34 0.52 -0.01 0.00 0.71 0.00 0.00 54.79 56.34 1nwd n ASP 95 Cb 0.63 1.86 0.01 0.00 -0.02 0.00 0.00 41.12 43.59 1nwd n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nwd n GLY 96 N -0.29 -0.31 1.26 0.44 0.00 -1.26 -4.83 105.19 100.22 1nwd n GLY 96 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.48 1.12 0.00 1.61 6.94 -1.26 -4.76 115.26 117.43 1nwd n ASN 97 Ca -0.01 -2.40 0.00 0.00 -0.02 0.00 0.00 54.58 52.15 1nwd n ASN 97 Cb 0.51 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 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 0.13 1.98 3.69 4.83 0.00 -1.26 -4.93 105.19 109.63 1nwd n GLY 98 Ca 0.09 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1nwd n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nwd s TYR 99 N 0.00 2.36 -0.27 1.61 1.51 -1.24 -3.93 117.35 117.38 1nwd s TYR 99 Ca 0.00 0.25 0.00 0.00 -1.01 0.00 0.00 57.07 56.32 1nwd s TYR 99 Cb 0.00 -4.00 0.08 0.00 -0.11 0.00 0.00 41.96 37.93 1nwd s TYR 99 CO 0.00 -4.04 0.02 0.42 -1.11 0.00 0.00 175.55 170.84 1nwd s ILE 100 N 2.70 1.35 0.52 2.71 1.01 -0.11 -4.61 121.20 124.77 1nwd s ILE 100 Ca 0.75 -1.39 -0.20 0.00 0.00 0.00 0.00 60.65 59.80 1nwd s ILE 100 Cb -0.41 -1.82 -0.06 0.00 0.01 0.00 0.00 42.46 40.18 1nwd s ILE 100 CO 0.33 -0.37 1.13 -0.44 0.00 0.00 0.00 174.94 175.58 1nwd s SER 101 N 1.43 5.89 0.22 3.58 0.01 -1.26 -1.47 113.70 122.09 1nwd s SER 101 Ca 0.02 2.18 -0.09 0.00 1.31 0.00 0.00 55.95 59.38 1nwd s SER 101 Cb -0.18 -2.58 0.25 0.00 0.21 0.00 0.00 66.02 63.72 1nwd s SER 101 CO -0.12 -1.10 1.82 0.00 0.41 0.00 0.00 173.24 174.24 1nwd h ALA 102 N 1.44 0.95 -0.33 1.44 0.00 -1.64 -1.34 119.26 119.79 1nwd h ALA 102 Ca -0.50 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1nwd h ALA 102 Cb 1.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1nwd h ALA 102 CO 0.58 0.11 0.17 0.00 0.00 0.00 0.00 179.25 180.11 1nwd h ALA 103 N 1.35 0.42 -0.80 0.00 0.00 -1.94 -0.90 119.26 117.40 1nwd h ALA 103 Ca 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1nwd h ALA 103 Cb 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1nwd h ALA 103 CO -0.17 -0.03 0.42 0.93 0.00 0.00 0.00 179.25 180.40 1nwd h GLU 104 N 0.40 1.12 -0.15 0.00 5.08 -1.90 -1.23 114.58 117.91 1nwd h GLU 104 Ca 0.11 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1nwd h GLU 104 Cb 0.09 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1nwd h GLU 104 CO -0.02 0.83 0.09 -0.07 -1.00 0.00 0.00 179.01 178.85 1nwd h LEU 105 N 1.12 0.17 -0.57 1.33 3.38 -0.99 -3.00 115.31 116.75 1nwd h LEU 105 Ca 0.28 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.24 1nwd h LEU 105 Cb 0.05 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1nwd h LEU 105 CO -0.04 0.14 0.37 -0.09 0.09 0.00 0.00 178.44 178.91 1nwd h ARG 106 N 0.19 0.74 -0.20 1.13 2.43 -0.90 -3.17 114.38 114.59 1nwd h ARG 106 Ca 0.05 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1nwd h ARG 106 Cb -0.00 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 1nwd h ARG 106 CO -0.01 0.49 -0.04 1.25 -1.51 0.00 0.00 179.97 180.15 1nwd h HIS 107 N 0.76 -0.08 -0.70 2.20 2.76 -1.10 -0.09 115.15 118.90 1nwd h HIS 107 Ca 0.21 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 1nwd h HIS 107 Cb -0.08 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 1nwd h HIS 107 CO -0.04 -0.07 0.28 -0.24 -1.30 0.00 0.00 177.93 176.56 1nwd h VAL 108 N 0.02 1.24 -0.40 5.26 3.04 -1.59 -1.22 116.25 122.59 1nwd h VAL 108 Ca 0.10 -0.76 -0.04 0.00 -1.01 0.00 0.00 66.70 65.00 1nwd h VAL 108 Cb 0.14 0.41 -0.02 0.00 -2.01 0.00 0.00 31.29 29.81 1nwd h VAL 108 CO -0.20 0.30 0.11 0.24 -1.01 0.00 0.00 177.57 177.02 1nwd h MET 109 N 1.01 0.63 -0.82 4.17 2.07 -1.40 -3.10 114.93 117.49 1nwd h MET 109 Ca 0.24 -0.14 -0.01 0.00 -2.07 0.00 0.00 59.70 57.71 1nwd h MET 109 Cb 0.20 -0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 29.80 1nwd h MET 109 CO -0.02 0.64 0.46 1.15 1.07 0.00 0.00 176.91 180.21 1nwd h THR 110 N 0.51 1.24 -1.00 2.22 2.02 -0.83 -3.30 112.91 113.77 1nwd h THR 110 Ca 0.13 -0.59 0.20 0.00 0.77 0.00 0.00 66.41 66.92 1nwd h THR 110 Cb 0.28 0.13 -0.11 0.00 -1.74 0.00 0.00 68.15 66.71 1nwd h THR 110 CO -0.00 0.27 0.60 -1.13 0.37 0.00 0.00 175.52 175.62 1nwd h ASN 111 N 1.14 0.75 0.30 4.18 -1.24 -1.14 -3.02 115.58 116.55 1nwd h ASN 111 Ca 0.29 0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.39 1nwd h ASN 111 Cb 0.02 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1nwd h ASN 111 CO -0.05 0.23 -0.15 -0.07 -1.29 0.00 0.00 177.43 176.11 1nwd h LEU 112 N 0.71 -0.34 0.00 0.34 4.07 -1.69 -3.48 115.31 114.92 1nwd h LEU 112 Ca 0.59 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.56 1nwd h LEU 112 Cb 0.96 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.79 1nwd h LEU 112 CO -0.41 -0.12 0.00 0.61 -1.08 0.00 0.00 178.44 177.45 1nwd n GLY 113 N 0.13 -1.60 3.54 0.83 0.00 -1.14 -5.18 105.19 101.78 1nwd n GLY 113 Ca -0.05 0.62 -0.14 0.00 0.00 0.00 0.00 46.02 46.45 1nwd n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nwd s GLU 114 N 0.00 0.77 -0.55 1.61 -1.05 -1.26 -5.09 118.70 113.14 1nwd s GLU 114 Ca 0.00 0.83 0.04 0.00 -0.15 0.00 0.00 54.97 55.69 1nwd s GLU 114 Cb 0.00 0.38 0.16 0.00 -0.44 0.00 0.00 34.13 34.23 1nwd s GLU 114 CO 0.00 -0.11 0.38 0.15 0.95 0.00 0.00 175.26 176.63 1nwd s LYS 115 N 0.20 1.69 -0.08 -4.83 1.02 -1.26 -4.25 119.74 112.22 1nwd s LYS 115 Ca -0.01 -2.63 0.04 0.00 0.02 0.00 0.00 55.97 53.38 1nwd s LYS 115 Cb -0.04 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 1nwd s LYS 115 CO 0.02 -1.29 -0.19 -0.51 -0.92 0.00 0.00 175.35 172.46 1nwd s LEU 116 N -0.54 2.40 0.12 3.17 1.43 -1.26 -5.10 118.68 118.90 1nwd s LEU 116 Ca 0.26 -0.39 -0.31 0.00 -1.03 0.00 0.00 54.13 52.65 1nwd s LEU 116 Cb -0.07 -1.48 -0.09 0.00 0.03 0.00 0.00 46.19 44.58 1nwd s LEU 116 CO -0.14 0.24 1.60 0.42 0.23 0.00 0.00 176.35 178.70 1nwd s THR 117 N -0.09 2.82 -1.48 5.49 -4.23 -1.26 -4.90 115.64 111.98 1nwd s THR 117 Ca -0.04 0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 1nwd s THR 117 Cb -0.14 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1nwd s THR 117 CO 0.04 0.02 0.61 -0.90 -0.54 0.00 0.00 174.62 173.85 1nwd n ASP 118 N 4.66 0.42 -0.09 3.99 5.75 -1.26 -3.60 116.55 126.43 1nwd n ASP 118 Ca 0.15 -1.64 -0.06 0.00 -0.01 0.00 0.00 54.79 53.23 1nwd n ASP 118 Cb 0.39 -0.21 0.12 0.00 -1.03 0.00 0.00 41.12 40.39 1nwd n ASP 118 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1nwd h GLU 119 N 0.09 0.76 -0.11 0.11 4.11 -1.99 -1.78 114.58 115.77 1nwd h GLU 119 Ca 0.00 -0.27 -0.00 0.00 0.07 0.00 0.00 59.36 59.16 1nwd h GLU 119 Cb 0.21 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1nwd h GLU 119 CO 0.00 0.87 0.06 0.93 0.07 0.00 0.00 179.01 180.93 1nwd h GLU 120 N 0.68 0.16 -0.29 1.06 3.07 -1.98 -2.12 114.58 115.16 1nwd h GLU 120 Ca 0.11 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.01 1nwd h GLU 120 Cb 0.63 -0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.44 1nwd h GLU 120 CO 0.04 0.23 -0.26 0.28 -1.40 0.00 0.00 179.01 177.90 1nwd h VAL 121 N 0.06 0.35 -0.59 3.13 2.07 -1.77 -1.67 116.25 117.83 1nwd h VAL 121 Ca 0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.65 1nwd h VAL 121 Cb 0.12 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.16 1nwd h VAL 121 CO -0.01 0.00 0.21 0.44 0.02 0.00 0.00 177.57 178.23 1nwd h ASP 122 N -0.24 0.19 0.11 0.57 3.32 -1.29 -2.33 116.42 116.74 1nwd h ASP 122 Ca 0.15 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.29 1nwd h ASP 122 Cb 0.48 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1nwd h ASP 122 CO -0.43 0.12 -0.12 -0.08 -1.72 0.00 0.00 179.24 177.00 1nwd h GLU 123 N 0.38 -0.25 0.00 3.56 4.22 -0.63 -1.10 114.58 120.76 1nwd h GLU 123 Ca 0.30 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.76 1nwd h GLU 123 Cb 0.37 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1nwd h GLU 123 CO -0.31 -0.17 0.00 0.00 -2.18 0.00 0.00 179.01 176.35 1nwd n MET 124 N -5.25 0.81 -0.07 1.92 0.00 -0.74 -1.45 117.12 112.34 1nwd n MET 124 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.54 1nwd n MET 124 Cb 0.17 -1.31 -0.05 0.00 0.00 0.00 0.00 33.22 32.03 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 0.37 -1.03 3.17 2.04 -0.97 -3.41 117.51 117.68 1nwd h ILE 125 Ca 0.00 -1.40 0.28 0.00 1.00 0.00 0.00 64.86 64.74 1nwd h ILE 125 Cb 0.00 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 1nwd h ILE 125 CO 0.00 0.13 0.70 0.03 0.00 0.00 0.00 178.15 179.01 1nwd h ARG 126 N -1.00 0.19 -1.08 2.37 2.47 -0.47 -2.32 114.38 114.55 1nwd h ARG 126 Ca -0.08 -0.01 0.29 0.00 -1.26 0.00 0.00 59.98 58.92 1nwd h ARG 126 Cb 0.65 -0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.84 1nwd h ARG 126 CO -0.05 0.13 0.72 1.05 0.56 0.00 0.00 179.97 182.37 1nwd h GLU 127 N 0.20 0.27 -1.02 0.04 4.11 -1.48 -2.97 114.58 113.72 1nwd h GLU 127 Ca 0.53 -0.02 -0.36 0.00 0.07 0.00 0.00 59.36 59.58 1nwd h GLU 127 Cb 1.72 -0.06 -0.29 0.00 0.50 0.00 0.00 28.75 30.62 1nwd h GLU 127 CO -0.14 0.18 -0.85 0.00 0.07 0.00 0.00 179.01 178.27 1nwd n ALA 128 N -2.54 1.00 -2.92 1.06 0.00 -0.98 -5.03 120.51 111.08 1nwd n ALA 128 Ca 0.26 -2.49 -0.44 0.00 0.00 0.00 0.00 53.44 50.77 1nwd n ALA 128 Cb 0.99 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.96 6.29 0.05 0.00 2.15 -0.91 -4.76 116.67 117.54 1nwd s ASP 129 Ca 0.31 -1.35 -0.20 0.00 0.43 0.00 0.00 52.55 51.74 1nwd s ASP 129 Cb 0.34 -2.39 -0.12 0.00 -0.30 0.00 0.00 42.92 40.44 1nwd s ASP 129 CO -0.06 -1.28 1.42 0.40 -0.17 0.00 0.00 175.17 175.48 1nwd h ILE 130 N 5.92 1.30 0.10 4.11 1.08 -1.91 -3.34 117.51 124.78 1nwd h ILE 130 Ca -0.17 -1.09 0.02 0.00 -0.39 0.00 0.00 64.86 63.23 1nwd h ILE 130 Cb 1.06 1.67 -0.03 0.00 -3.07 0.00 0.00 36.82 36.45 1nwd h ILE 130 CO 1.15 0.32 -0.23 0.44 -0.69 0.00 0.00 178.15 179.14 1nwd h ASP 131 N 0.03 -0.66 0.00 1.72 5.19 -1.92 -3.48 116.42 117.30 1nwd h ASP 131 Ca 0.04 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1nwd h ASP 131 Cb 0.53 0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1nwd h ASP 131 CO 0.02 -0.32 0.00 0.61 -3.12 0.00 0.00 179.24 176.43 1nwd n GLY 132 N -1.36 0.80 0.00 2.75 0.00 -1.26 -5.14 105.19 100.99 1nwd n GLY 132 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 0.00 -3.13 1.61 5.68 -1.26 -5.07 116.55 114.38 1nwd n ASP 133 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.00 1nwd n ASP 133 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 1nwd n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nwd n GLY 134 N 0.00 5.58 3.11 6.12 0.00 -1.26 -4.85 105.19 113.89 1nwd n GLY 134 Ca 0.00 -2.76 -0.08 0.00 0.00 0.00 0.00 46.02 43.19 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 -3.45 0.70 -0.26 1.61 -0.21 -1.26 -1.47 119.66 115.32 1nwd s GLN 135 Ca 0.46 -1.28 -0.04 0.00 0.02 0.00 0.00 55.36 54.52 1nwd s GLN 135 Cb 0.24 0.21 0.09 0.00 1.00 0.00 0.00 33.01 34.55 1nwd s GLN 135 CO -0.11 -0.15 0.11 0.08 -2.12 0.00 0.00 175.29 173.09 1nwd s VAL 136 N -3.95 0.11 0.69 1.09 1.01 -0.54 -4.91 120.40 113.89 1nwd s VAL 136 Ca 0.12 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 1nwd s VAL 136 Cb 0.08 -0.99 0.16 0.00 0.00 0.00 0.00 36.38 35.63 1nwd s VAL 136 CO -0.07 -0.57 0.80 0.59 0.00 0.00 0.00 175.10 175.85 1nwd n ASN 137 N 5.18 -0.57 0.31 3.32 4.13 -1.26 -0.93 115.26 125.45 1nwd n ASN 137 Ca -0.06 -1.17 -0.17 0.00 1.68 0.00 0.00 54.58 54.85 1nwd n ASN 137 Cb 0.44 -0.65 -0.09 0.00 -1.54 0.00 0.00 39.78 37.94 1nwd n ASN 137 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 1nwd h TYR 138 N -1.78 -1.26 -0.54 3.10 0.05 -1.92 -2.11 116.97 112.50 1nwd h TYR 138 Ca -0.27 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.55 1nwd h TYR 138 Cb 0.78 0.48 -0.04 0.00 1.01 0.00 0.00 36.73 38.95 1nwd h TYR 138 CO 0.00 -0.64 0.29 0.93 -1.05 0.00 0.00 178.16 177.69 1nwd h GLU 139 N -0.99 0.55 -0.11 4.88 4.39 -1.95 -2.83 114.58 118.52 1nwd h GLU 139 Ca -0.07 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.62 1nwd h GLU 139 Cb 0.83 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1nwd h GLU 139 CO -0.01 0.36 -0.03 0.93 -1.16 0.00 0.00 179.01 179.11 1nwd h GLU 140 N 0.56 -0.01 -0.65 2.33 5.08 -1.85 -1.11 114.58 118.94 1nwd h GLU 140 Ca 0.23 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.73 1nwd h GLU 140 Cb 0.11 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.25 1nwd h GLU 140 CO -0.14 -0.01 0.08 0.35 -1.00 0.00 0.00 179.01 178.29 1nwd h PHE 141 N -0.01 0.10 0.95 4.33 3.04 -1.22 -0.88 116.94 123.25 1nwd h PHE 141 Ca 0.05 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 62.00 1nwd h PHE 141 Cb 0.09 0.05 0.01 0.00 2.56 0.00 0.00 35.95 38.66 1nwd h PHE 141 CO -0.16 -0.12 -0.48 0.28 -2.02 0.00 0.00 178.31 175.82 1nwd h VAL 142 N 0.19 0.02 -0.26 1.41 2.07 -1.24 -2.89 116.25 115.56 1nwd h VAL 142 Ca 0.35 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.95 1nwd h VAL 142 Cb 0.57 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1nwd h VAL 142 CO -0.50 0.00 0.19 1.56 0.02 0.00 0.00 177.57 178.84 1nwd h GLN 143 N -1.31 0.00 0.44 1.57 1.08 -0.65 0.34 115.11 116.58 1nwd h GLN 143 Ca -0.13 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 1nwd h GLN 143 Cb 1.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 1nwd h GLN 143 CO 0.20 0.00 -0.21 0.52 -0.95 0.00 0.00 178.83 178.38 1nwd h MET 144 N 0.00 -0.57 0.00 1.46 2.86 -1.20 -2.73 114.93 114.75 1nwd h MET 144 Ca 0.12 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1nwd h MET 144 Cb 0.50 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1nwd h MET 144 CO -0.00 -0.31 0.00 -1.33 1.06 0.00 0.00 176.91 176.33 1nwd n MET 145 N -5.18 0.18 -3.19 1.72 2.81 -0.98 -3.63 117.12 108.86 1nwd n MET 145 Ca -0.08 0.10 -0.20 0.00 -1.81 0.00 0.00 57.70 55.70 1nwd n MET 145 Cb 0.27 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.23 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 -1.38 -0.25 -2.76 2.03 -1.04 0.11 -5.04 114.28 105.96 1nwd n THR 146 Ca 0.08 -4.44 -0.42 0.00 -2.04 0.00 0.00 64.05 57.23 1nwd n THR 146 Cb 0.21 -0.82 -0.03 0.00 -1.82 0.00 0.00 70.33 67.86 1nwd n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nwd s ALA 147 N -2.06 3.02 0.00 2.41 0.00 -1.03 -4.43 121.76 119.66 1nwd s ALA 147 Ca 0.39 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.49 1nwd s ALA 147 Cb 0.29 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1nwd s ALA 147 CO -0.09 -2.99 0.00 1.17 0.00 0.00 0.00 175.76 173.85