#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wus h GLU 3 N 0.00 0.95 -0.08 -1.46 3.07 -1.95 -1.58 114.58 113.52 2wus h GLU 3 Ca 0.00 -0.42 -0.06 0.00 -0.50 0.00 0.00 59.36 58.38 2wus h GLU 3 Cb 0.00 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 2wus h GLU 3 CO 0.00 1.08 -0.25 0.87 -1.40 0.00 0.00 179.01 179.31 2wus h LYS 4 N 0.79 0.14 -0.21 2.33 1.57 -1.93 -1.58 116.57 117.68 2wus h LYS 4 Ca 0.10 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2wus h LYS 4 Cb 0.80 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2wus h LYS 4 CO 0.07 0.39 0.02 -1.49 -0.57 0.00 0.00 179.45 177.86 2wus h TRP 5 N 0.13 0.39 -0.50 -1.35 6.55 -1.80 -1.21 115.95 118.16 2wus h TRP 5 Ca 0.02 -0.06 0.07 0.00 0.95 0.00 0.00 58.89 59.87 2wus h TRP 5 Cb 0.51 -0.10 -0.06 0.00 -0.86 0.00 0.00 29.16 28.65 2wus h TRP 5 CO 0.00 0.52 0.15 0.87 -1.05 0.00 0.00 178.44 178.94 2wus h LYS 6 N 0.14 0.31 0.00 0.49 1.57 -0.84 0.43 116.57 118.66 2wus h LYS 6 Ca 0.06 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2wus h LYS 6 Cb 0.36 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2wus h LYS 6 CO 0.01 0.20 -0.13 1.05 -0.57 0.00 0.00 179.45 180.01 2wus h GLU 7 N 0.32 0.00 0.05 3.15 4.11 -1.29 0.14 114.58 121.06 2wus h GLU 7 Ca 0.24 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.67 2wus h GLU 7 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2wus h GLU 7 CO -0.27 0.13 -0.03 1.25 0.07 0.00 0.00 179.01 180.16 2wus h LEU 8 N 0.00 -0.06 -2.07 3.06 6.46 0.10 -2.36 115.31 120.44 2wus h LEU 8 Ca -0.00 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 57.86 2wus h LEU 8 Cb 0.44 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 2wus h LEU 8 CO 0.02 -0.04 0.30 1.23 -0.62 0.00 0.00 178.44 179.33 2wus h GLY 9 N -0.09 0.00 1.43 3.75 0.00 -0.74 1.00 103.07 108.42 2wus h GLY 9 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2wus h GLY 9 CO 0.01 0.00 -0.11 -2.09 0.00 0.00 0.00 176.54 174.35 2wus h GLU 10 N 0.00 0.69 -0.23 4.80 4.81 -0.70 0.83 114.58 124.77 2wus h GLU 10 Ca 0.17 -0.22 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 2wus h GLU 10 Cb 0.76 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.08 2wus h GLU 10 CO -0.00 0.78 -0.66 1.15 -0.73 0.00 0.00 179.01 179.55 2wus h THR 11 N 0.63 1.27 0.50 0.32 2.02 -0.25 -1.97 112.91 115.43 2wus h THR 11 Ca 0.11 -1.84 -0.02 0.00 0.77 0.00 0.00 66.41 65.43 2wus h THR 11 Cb 0.55 1.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.75 2wus h THR 11 CO 0.03 0.59 -0.28 -0.26 0.37 0.00 0.00 175.52 175.98 2wus h PHE 12 N 0.61 -0.73 -0.17 3.16 0.04 -1.20 0.20 116.94 118.86 2wus h PHE 12 Ca -0.02 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.79 2wus h PHE 12 Cb 1.28 0.25 -0.06 0.00 2.20 0.00 0.00 35.95 39.62 2wus h PHE 12 CO 0.08 -0.44 -0.23 -0.09 -0.60 0.00 0.00 178.31 177.03 2wus h ARG 13 N -0.73 -0.26 -0.76 1.51 2.43 -0.87 0.07 114.38 115.77 2wus h ARG 13 Ca -0.06 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2wus h ARG 13 Cb 0.59 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 2wus h ARG 13 CO 0.08 -0.17 0.50 -0.22 -1.51 0.00 0.00 179.97 178.65 2wus h LYS 14 N -0.27 0.91 0.00 0.20 3.64 -1.22 -1.80 116.57 118.04 2wus h LYS 14 Ca 0.11 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.29 2wus h LYS 14 Cb 0.44 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2wus h LYS 14 CO -0.32 0.60 -0.74 -0.22 -2.27 0.00 0.00 179.45 176.51 2wus h LYS 15 N 0.94 0.00 -0.13 1.90 3.11 -0.27 -2.86 116.57 119.26 2wus h LYS 15 Ca 0.30 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.98 2wus h LYS 15 Cb 0.04 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.27 2wus h LYS 15 CO -0.09 0.70 -0.56 -0.09 -2.81 0.00 0.00 179.45 176.61 2wus h ARG 16 N 0.00 0.60 0.00 1.90 2.43 -0.36 -3.21 114.38 115.74 2wus h ARG 16 Ca -0.01 -0.48 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 2wus h ARG 16 Cb 1.55 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 31.20 2wus h ARG 16 CO 0.09 1.10 -0.09 1.49 -1.51 0.00 0.00 179.97 181.05 2wus h GLU 17 N 0.25 0.00 0.00 0.20 4.81 -1.38 -1.84 114.58 116.61 2wus h GLU 17 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2wus h GLU 17 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2wus h GLU 17 CO 0.12 0.09 0.00 -1.91 -0.73 0.00 0.00 179.01 176.58 2wus n GLU 18 N -3.23 0.15 -3.95 1.92 2.13 -1.08 -4.62 120.64 111.97 2wus n GLU 18 Ca 0.01 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 2wus n GLU 18 Cb 0.37 -1.27 -0.08 0.00 0.27 0.00 0.00 31.44 30.73 2wus n GLU 18 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2wus s ARG 19 N -2.00 0.81 0.00 5.31 0.52 -0.69 -5.02 118.95 117.88 2wus s ARG 19 Ca 0.04 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.17 2wus s ARG 19 Cb 0.02 0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.79 2wus s ARG 19 CO 0.03 -0.24 0.40 -2.13 0.02 0.00 0.00 175.30 173.39 2wus n ARG 20 N -0.03 0.22 -3.70 3.54 0.63 -1.26 -4.75 116.66 111.31 2wus n ARG 20 Ca -0.14 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.41 2wus n ARG 20 Cb 0.62 -1.39 -0.12 0.00 0.45 0.00 0.00 32.46 32.02 2wus n ARG 20 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2wus s ILE 21 N 1.43 4.23 0.39 5.15 1.01 -1.26 -5.08 121.20 127.07 2wus s ILE 21 Ca 0.00 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 2wus s ILE 21 Cb 0.00 -3.24 -0.09 0.00 0.01 0.00 0.00 42.46 39.14 2wus s ILE 21 CO 0.00 -0.02 0.84 0.42 0.00 0.00 0.00 174.94 176.18 2wus s THR 22 N 1.53 4.57 0.29 2.92 -4.23 -1.26 -4.65 115.64 114.81 2wus s THR 22 Ca 0.02 1.14 0.01 0.00 -1.18 0.00 0.00 61.69 61.69 2wus s THR 22 Cb -0.18 -3.63 0.34 0.00 1.34 0.00 0.00 72.50 70.37 2wus s THR 22 CO 0.04 -0.31 1.62 -0.07 -0.54 0.00 0.00 174.62 175.36 2wus h LEU 23 N 1.91 -0.20 -1.05 4.79 3.38 -1.99 0.11 115.31 122.26 2wus h LEU 23 Ca -0.48 0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2wus h LEU 23 Cb 1.18 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2wus h LEU 23 CO 0.63 -0.23 -0.47 0.25 0.09 0.00 0.00 178.44 178.71 2wus h LEU 24 N 0.12 0.01 0.17 1.67 6.46 -1.96 -1.54 115.31 120.24 2wus h LEU 24 Ca 0.55 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.30 2wus h LEU 24 Cb 1.13 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.06 2wus h LEU 24 CO -0.74 0.48 -0.08 0.44 -0.62 0.00 0.00 178.44 177.91 2wus h ASP 25 N 0.01 -0.20 -0.78 1.25 3.32 -1.21 -3.05 116.42 115.75 2wus h ASP 25 Ca -0.00 -0.17 0.18 0.00 0.02 0.00 0.00 57.03 57.06 2wus h ASP 25 Cb 0.84 0.05 -0.13 0.00 0.22 0.00 0.00 39.33 40.31 2wus h ASP 25 CO 0.06 0.05 0.11 0.00 -1.72 0.00 0.00 179.24 177.75 2wus h ALA 26 N 0.33 0.96 0.00 3.45 0.00 -0.91 0.18 119.26 123.26 2wus h ALA 26 Ca -0.02 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2wus h ALA 26 Cb 0.35 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2wus h ALA 26 CO 0.04 -0.41 -0.07 0.66 0.00 0.00 0.00 179.25 179.47 2wus h SER 27 N 0.18 0.00 1.66 0.00 4.64 -1.21 -2.18 113.55 116.64 2wus h SER 27 Ca 0.45 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.72 2wus h SER 27 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2wus h SER 27 CO -0.62 0.07 -0.34 -0.07 -0.87 0.00 0.00 176.83 175.00 2wus h LEU 28 N 0.00 0.00 0.02 5.97 3.38 -0.86 -3.18 115.31 120.64 2wus h LEU 28 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2wus h LEU 28 Cb 0.37 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 2wus h LEU 28 CO 0.01 0.21 -2.12 0.49 0.09 0.00 0.00 178.44 177.12 2wus n PHE 29 N -3.10 0.52 -4.02 1.13 3.72 -0.97 -4.63 117.46 110.11 2wus n PHE 29 Ca 0.02 0.16 -0.33 0.00 -0.05 0.00 0.00 57.45 57.25 2wus n PHE 29 Cb 0.62 -1.09 -0.15 0.00 -0.94 0.00 0.00 39.48 37.93 2wus n PHE 29 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2wus s THR 30 N -2.54 2.50 -0.25 4.37 -4.23 -0.86 -4.99 115.64 109.64 2wus s THR 30 Ca -0.14 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 2wus s THR 30 Cb 0.07 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.63 2wus s THR 30 CO 0.78 0.21 0.00 0.59 -0.54 0.00 0.00 174.62 175.67 2wus n ASN 31 N 4.60 0.00 -2.66 3.99 4.13 -1.24 -4.34 115.26 119.74 2wus n ASN 31 Ca -0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.09 2wus n ASN 31 Cb 0.46 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 2wus n ASN 31 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2wus n ILE 32 N 0.77 0.00 -4.14 2.41 5.41 -1.20 -5.00 119.36 117.60 2wus n ILE 32 Ca 0.00 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.51 2wus n ILE 32 Cb 0.00 -0.72 -0.17 0.00 -0.71 0.00 0.00 39.64 38.05 2wus n ILE 32 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2wus s ASN 33 N -1.64 1.66 0.49 4.38 3.84 -1.26 -4.77 114.94 117.64 2wus s ASN 33 Ca 0.00 -0.22 0.31 0.00 0.21 0.00 0.00 52.86 53.15 2wus s ASN 33 Cb 0.00 -0.68 1.40 0.00 -0.55 0.00 0.00 41.25 41.43 2wus s ASN 33 CO 0.00 -0.07 1.77 -0.65 -2.79 0.00 0.00 177.10 175.35 2wus h PRO 34 N 7.62 0.13 0.09 0.43 0.11 -1.93 0.72 132.00 139.17 2wus h PRO 34 Ca -0.31 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.82 2wus h PRO 34 Cb 1.15 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 2wus h PRO 34 CO 0.42 0.09 -0.44 1.03 -0.21 0.00 0.00 178.00 178.89 2wus h SER 35 N 0.14 -1.32 -0.29 -2.05 0.87 -1.96 0.19 113.55 109.12 2wus h SER 35 Ca 0.62 0.15 0.03 0.00 -1.23 0.00 0.00 61.79 61.35 2wus h SER 35 Cb 2.11 0.50 -0.03 0.00 -0.44 0.00 0.00 62.40 64.54 2wus h SER 35 CO -0.14 -0.50 0.12 0.11 -0.53 0.00 0.00 176.83 175.89 2wus h LYS 36 N -0.65 0.26 -0.75 2.24 1.57 0.02 -2.44 116.57 116.81 2wus h LYS 36 Ca 0.02 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 2wus h LYS 36 Cb 0.69 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.88 2wus h LYS 36 CO -0.27 0.17 0.44 -0.07 -0.57 0.00 0.00 179.45 179.15 2wus h LEU 37 N 0.27 0.67 0.49 2.94 3.38 -1.21 -1.02 115.31 120.83 2wus h LEU 37 Ca 0.13 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2wus h LEU 37 Cb 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2wus h LEU 37 CO -0.11 0.42 -0.48 0.50 0.09 0.00 0.00 178.44 178.86 2wus h LYS 38 N 0.80 -0.93 -0.77 1.13 1.63 -0.22 -0.95 116.57 117.26 2wus h LYS 38 Ca 0.34 0.06 0.15 0.00 -0.85 0.00 0.00 60.65 60.35 2wus h LYS 38 Cb 0.20 0.21 -0.14 0.00 -0.60 0.00 0.00 32.23 31.90 2wus h LYS 38 CO -0.19 -0.62 -0.24 0.00 -3.45 0.00 0.00 179.45 174.95 2wus h ARG 39 N -0.96 -0.03 -0.89 1.90 3.08 -1.32 0.22 114.38 116.37 2wus h ARG 39 Ca -0.06 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.14 2wus h ARG 39 Cb 0.83 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.82 2wus h ARG 39 CO -0.05 -0.02 0.57 0.82 -1.07 0.00 0.00 179.97 180.22 2wus h ILE 40 N -0.03 0.81 0.02 2.04 2.04 -0.47 -0.10 117.51 121.82 2wus h ILE 40 Ca 0.35 -0.23 -0.26 0.00 1.00 0.00 0.00 64.86 65.72 2wus h ILE 40 Cb 0.58 0.10 0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2wus h ILE 40 CO -0.81 0.12 -1.05 -0.33 0.00 0.00 0.00 178.15 176.08 2wus h GLU 41 N 0.66 0.61 -0.01 2.37 5.08 0.72 -2.67 114.58 121.34 2wus h GLU 41 Ca 0.45 -0.69 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2wus h GLU 41 Cb 0.77 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2wus h GLU 41 CO -0.21 1.28 0.00 -0.85 -1.00 0.00 0.00 179.01 178.23 2wus n GLU 42 N -3.81 1.07 -1.43 2.33 0.28 -0.62 -3.25 120.64 115.21 2wus n GLU 42 Ca -0.10 -0.10 0.00 0.00 -0.16 0.00 0.00 57.16 56.79 2wus n GLU 42 Cb 0.89 -1.33 0.00 0.00 1.43 0.00 0.00 31.44 32.43 2wus n GLU 42 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wus n GLY 43 N 0.85 0.39 3.18 -1.84 0.00 -0.43 -4.79 105.19 102.56 2wus n GLY 43 Ca 0.16 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 2wus n GLY 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wus s ASP 44 N -2.99 5.84 -0.00 1.61 3.68 -0.18 -4.41 116.67 120.21 2wus s ASP 44 Ca 0.00 -2.88 0.12 0.00 2.13 0.00 0.00 52.55 51.92 2wus s ASP 44 Cb 0.00 -1.99 -0.14 0.00 -1.45 0.00 0.00 42.92 39.35 2wus s ASP 44 CO 0.00 -0.42 0.47 0.18 0.13 0.00 0.00 175.17 175.53 2wus n LEU 45 N 3.54 0.48 -0.37 -1.34 4.77 -1.26 -4.51 117.00 118.31 2wus n LEU 45 Ca 0.11 -0.43 0.03 0.00 -0.03 0.00 0.00 56.01 55.70 2wus n LEU 45 Cb 0.41 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.60 2wus n LEU 45 CO 0.34 0.12 0.63 0.50 -1.33 0.00 0.00 177.39 177.65 2wus h LYS 46 N 0.00 -0.00 0.00 3.23 1.63 -1.98 -1.87 116.57 117.58 2wus h LYS 46 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2wus h LYS 46 Cb 0.32 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.91 2wus h LYS 46 CO 0.00 -0.00 -0.40 0.41 -3.45 0.00 0.00 179.45 176.01 2wus n GLY 47 N -1.56 4.16 0.30 5.01 0.00 -1.26 -4.83 105.19 107.01 2wus n GLY 47 Ca 0.13 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 45.12 2wus n GLY 47 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wus h LEU 48 N 0.58 0.52 0.00 0.99 6.46 -1.63 -3.46 115.31 118.77 2wus h LEU 48 Ca -0.03 0.08 0.06 0.00 -0.12 0.00 0.00 57.88 57.87 2wus h LEU 48 Cb 1.14 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 2wus h LEU 48 CO 0.01 0.25 0.14 -0.67 -0.62 0.00 0.00 178.44 177.55 2wus n ASP 49 N -4.86 -0.17 -4.75 1.25 4.64 -1.26 -5.06 116.55 106.34 2wus n ASP 49 Ca 0.15 -1.02 -0.36 0.00 -1.38 0.00 0.00 54.79 52.17 2wus n ASP 49 Cb 0.37 0.26 0.04 0.00 -1.04 0.00 0.00 41.12 40.75 2wus n ASP 49 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2wus s ALA 50 N -1.15 2.54 0.23 -1.67 0.00 -1.26 -4.75 121.76 115.71 2wus s ALA 50 Ca 0.05 1.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 2wus s ALA 50 Cb -0.00 -3.47 0.39 0.00 0.00 0.00 0.00 23.12 20.04 2wus s ALA 50 CO -0.00 -1.21 1.75 1.49 0.00 0.00 0.00 175.76 177.79 2wus h GLU 51 N 0.89 0.49 -0.95 0.00 4.81 -1.98 0.15 114.58 117.99 2wus h GLU 51 Ca -0.51 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.78 2wus h GLU 51 Cb 1.30 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.50 2wus h GLU 51 CO 0.55 0.32 0.61 0.28 -0.73 0.00 0.00 179.01 180.04 2wus h VAL 52 N 0.51 1.02 0.06 0.32 2.07 -2.00 -1.24 116.25 116.99 2wus h VAL 52 Ca 0.38 -0.35 -0.24 0.00 0.82 0.00 0.00 66.70 67.30 2wus h VAL 52 Cb 0.50 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2wus h VAL 52 CO -0.34 0.19 -1.13 1.88 0.02 0.00 0.00 177.57 178.18 2wus h TYR 53 N 1.02 0.24 -0.65 1.57 0.05 -1.66 -3.12 116.97 114.43 2wus h TYR 53 Ca 0.43 -0.18 -0.03 0.00 0.05 0.00 0.00 58.73 59.01 2wus h TYR 53 Cb 0.31 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 2wus h TYR 53 CO -0.00 1.14 0.30 0.82 -1.05 0.00 0.00 178.16 179.37 2wus h ILE 54 N 0.04 1.21 0.00 -2.88 2.04 -0.27 -1.40 117.51 116.25 2wus h ILE 54 Ca -0.08 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2wus h ILE 54 Cb 1.87 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2wus h ILE 54 CO 0.16 0.26 0.00 0.29 0.00 0.00 0.00 178.15 178.86 2wus n LYS 55 N -4.34 0.21 -0.03 2.37 5.02 -0.54 -2.42 118.16 118.44 2wus n LYS 55 Ca 0.06 0.29 -0.11 0.00 -2.02 0.00 0.00 58.31 56.52 2wus n LYS 55 Cb 0.14 -1.80 -0.14 0.00 -0.02 0.00 0.00 35.03 33.21 2wus n LYS 55 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wus n SER 56 N -2.18 1.03 -0.04 4.39 3.41 -0.61 -2.57 113.62 117.05 2wus n SER 56 Ca 0.04 0.34 -0.10 0.00 -0.26 0.00 0.00 58.87 58.88 2wus n SER 56 Cb 0.34 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.13 2wus n SER 56 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2wus h TYR 57 N 0.01 0.25 -0.49 7.33 0.99 -1.24 -0.65 116.97 123.18 2wus h TYR 57 Ca -0.34 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.46 2wus h TYR 57 Cb 2.04 -0.08 -0.06 0.00 1.00 0.00 0.00 36.73 39.63 2wus h TYR 57 CO 0.01 0.24 0.15 0.82 -0.00 0.00 0.00 178.16 179.39 2wus h ILE 58 N 0.19 0.81 0.51 -2.88 2.04 -1.59 0.29 117.51 116.88 2wus h ILE 58 Ca 0.06 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2wus h ILE 58 Cb 0.07 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2wus h ILE 58 CO -0.01 0.06 -0.41 0.50 0.00 0.00 0.00 178.15 178.29 2wus h LYS 59 N 0.31 -0.88 -0.43 2.37 3.64 -1.33 -1.75 116.57 118.52 2wus h LYS 59 Ca 0.24 0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.73 2wus h LYS 59 Cb 0.27 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 2wus h LYS 59 CO -0.26 -0.58 0.16 0.00 -2.27 0.00 0.00 179.45 176.50 2wus h ARG 60 N -0.91 0.33 0.33 1.90 3.08 -0.53 -0.32 114.38 118.25 2wus h ARG 60 Ca -0.06 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2wus h ARG 60 Cb 0.78 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 2wus h ARG 60 CO -0.01 0.22 -0.34 -0.92 -1.07 0.00 0.00 179.97 177.85 2wus h TYR 61 N 0.34 -0.91 -0.90 3.04 3.20 -0.46 -1.34 116.97 119.93 2wus h TYR 61 Ca 0.20 0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.22 2wus h TYR 61 Cb 0.18 0.35 -0.07 0.00 1.54 0.00 0.00 36.73 38.73 2wus h TYR 61 CO -0.14 -0.47 0.58 0.77 -1.64 0.00 0.00 178.16 177.25 2wus h SER 62 N -0.69 0.67 0.32 -2.11 0.02 -0.57 -0.15 113.55 111.04 2wus h SER 62 Ca -0.02 0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 60.81 2wus h SER 62 Cb 0.63 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2wus h SER 62 CO -0.07 0.33 -0.66 -0.33 -1.14 0.00 0.00 176.83 174.97 2wus h GLU 63 N 0.70 0.31 -0.47 3.45 5.08 -0.88 -2.68 114.58 120.09 2wus h GLU 63 Ca 0.45 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 2wus h GLU 63 Cb 0.72 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2wus h GLU 63 CO -0.21 0.86 -0.09 0.35 -1.00 0.00 0.00 179.01 178.92 2wus h PHE 64 N 0.22 0.99 -2.50 4.33 3.57 0.09 -3.44 116.94 120.21 2wus h PHE 64 Ca -0.02 -0.20 -0.46 0.00 3.53 0.00 0.00 57.97 60.82 2wus h PHE 64 Cb 1.20 -0.24 0.10 0.00 2.79 0.00 0.00 35.95 39.80 2wus h PHE 64 CO 0.03 0.96 0.18 -0.51 -2.23 0.00 0.00 178.31 176.75 2wus s LEU 65 N -9.26 2.91 0.00 0.59 1.43 -0.41 -4.96 118.68 108.98 2wus s LEU 65 Ca -0.12 -0.27 0.21 0.00 -1.03 0.00 0.00 54.13 52.92 2wus s LEU 65 Cb 0.11 -1.96 1.25 0.00 0.03 0.00 0.00 46.19 45.62 2wus s LEU 65 CO 0.84 -2.11 1.64 1.21 0.23 0.00 0.00 176.35 178.16 2wus n GLU 66 N -3.07 0.69 -1.14 1.70 0.00 -1.26 -4.84 120.64 112.71 2wus n GLU 66 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 57.00 2wus n GLU 66 Cb 0.60 -1.48 0.11 0.00 0.00 0.00 0.00 31.44 30.68 2wus n GLU 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2wus s LEU 67 N -1.96 3.07 -0.52 4.31 1.02 -1.01 -4.97 118.68 118.62 2wus s LEU 67 Ca 0.31 2.09 -0.27 0.00 0.02 0.00 0.00 54.13 56.29 2wus s LEU 67 Cb 0.14 -4.56 0.03 0.00 0.02 0.00 0.00 46.19 41.83 2wus s LEU 67 CO 0.24 -2.43 1.04 -0.55 0.02 0.00 0.00 176.35 174.67 2wus s SER 68 N -2.74 6.48 0.31 2.29 0.15 -1.26 -4.55 113.70 114.37 2wus s SER 68 Ca 0.67 0.08 0.08 0.00 0.70 0.00 0.00 55.95 57.47 2wus s SER 68 Cb -0.22 -2.49 0.82 0.00 -1.71 0.00 0.00 66.02 62.41 2wus s SER 68 CO 0.53 -1.25 1.74 -0.65 1.20 0.00 0.00 173.24 174.81 2wus h PRO 69 N 9.29 0.61 -0.13 5.44 0.11 -1.90 -1.19 132.00 144.22 2wus h PRO 69 Ca -0.25 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 2wus h PRO 69 Cb 1.07 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 2wus h PRO 69 CO 1.10 0.40 -0.13 -0.44 -0.21 0.00 0.00 178.00 178.72 2wus h ASP 70 N 0.63 0.35 0.33 -2.05 3.32 -1.98 0.35 116.42 117.36 2wus h ASP 70 Ca 0.61 -0.48 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2wus h ASP 70 Cb 1.09 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 2wus h ASP 70 CO -0.45 0.76 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.49 2wus h GLU 71 N -0.06 0.00 0.11 3.56 5.08 -1.69 -0.10 114.58 121.48 2wus h GLU 71 Ca 0.02 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.12 2wus h GLU 71 Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2wus h GLU 71 CO 0.03 0.01 -1.35 0.52 -1.00 0.00 0.00 179.01 177.23 2wus h MET 72 N 0.00 0.24 -0.56 2.33 2.86 -0.74 -3.11 114.93 115.94 2wus h MET 72 Ca -0.00 -0.41 -0.05 0.00 -2.06 0.00 0.00 59.70 57.18 2wus h MET 72 Cb 0.18 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 2wus h MET 72 CO 0.00 1.20 0.16 -0.07 1.06 0.00 0.00 176.91 179.25 2wus h LEU 73 N -0.33 0.84 -0.47 1.22 3.38 -0.69 -1.46 115.31 117.80 2wus h LEU 73 Ca -0.29 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.56 2wus h LEU 73 Cb 1.73 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 42.17 2wus h LEU 73 CO 0.06 0.84 -0.19 0.50 0.09 0.00 0.00 178.44 179.74 2wus h LYS 74 N 0.79 -0.08 -0.15 1.13 3.11 -1.16 0.15 116.57 120.35 2wus h LYS 74 Ca 0.18 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 58.06 2wus h LYS 74 Cb 0.31 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.53 2wus h LYS 74 CO -0.00 -0.05 -0.06 -0.07 -2.81 0.00 0.00 179.45 176.45 2wus h LEU 75 N -0.08 -0.22 -1.02 5.20 3.38 -1.42 -0.01 115.31 121.14 2wus h LEU 75 Ca 0.23 0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.42 2wus h LEU 75 Cb 0.43 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.21 2wus h LEU 75 CO -0.53 -0.09 0.62 0.22 0.09 0.00 0.00 178.44 178.75 2wus h TYR 76 N -0.04 1.09 0.04 1.13 3.20 0.04 0.65 116.97 123.08 2wus h TYR 76 Ca 0.08 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.74 2wus h TYR 76 Cb 0.17 -0.34 0.01 0.00 1.54 0.00 0.00 36.73 38.11 2wus h TYR 76 CO -0.21 0.31 -1.03 1.49 -1.64 0.00 0.00 178.16 177.08 2wus h GLU 77 N 0.84 0.42 -0.99 1.82 4.57 0.04 -2.00 114.58 119.28 2wus h GLU 77 Ca 0.55 -0.50 0.07 0.00 -1.18 0.00 0.00 59.36 58.29 2wus h GLU 77 Cb 0.76 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 29.44 2wus h GLU 77 CO -0.34 1.17 0.64 0.93 -1.18 0.00 0.00 179.01 180.23 2wus h GLU 78 N 0.22 1.12 -0.50 1.92 5.08 -0.37 -2.31 114.58 119.73 2wus h GLU 78 Ca -0.10 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2wus h GLU 78 Cb 1.69 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 2wus h GLU 78 CO 0.18 0.74 0.27 0.78 -1.00 0.00 0.00 179.01 179.98 2wus h GLY 79 N 1.15 0.73 0.61 -3.84 0.00 -0.19 0.12 103.07 101.65 2wus h GLY 79 Ca 0.43 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 2wus h GLY 79 CO -0.18 0.30 -0.13 1.70 0.00 0.00 0.00 176.54 178.23 2wus h LYS 80 N 0.69 0.21 0.00 4.80 3.64 -0.88 -2.59 116.57 122.44 2wus h LYS 80 Ca 0.18 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2wus h LYS 80 Cb 0.03 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2wus h LYS 80 CO -0.03 0.71 0.00 0.93 -2.27 0.00 0.00 179.45 178.79 2wus h GLU 81 N -0.26 0.00 0.00 1.90 5.08 -1.06 0.80 114.58 121.05 2wus h GLU 81 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2wus h GLU 81 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2wus h GLU 81 CO 0.03 0.00 -0.25 1.49 -1.00 0.00 0.00 179.01 179.28 2wus h GLU 82 N 0.00 0.00 0.04 2.33 4.81 -0.40 -0.57 114.58 120.79 2wus h GLU 82 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 2wus h GLU 82 Cb 0.31 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 2wus h GLU 82 CO 0.00 0.25 -1.93 0.28 -0.73 0.00 0.00 179.01 176.88 2wus n VAL 83 N -3.25 1.64 0.00 0.32 0.31 -0.58 -3.84 118.33 112.92 2wus n VAL 83 Ca 0.02 -0.74 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 2wus n VAL 83 Cb 0.54 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 2wus n VAL 83 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wus n ALA 84 N -2.78 -0.25 -0.61 3.52 0.00 0.17 -1.82 120.51 118.75 2wus n ALA 84 Ca -0.26 0.00 0.48 0.00 0.00 0.00 0.00 53.44 53.66 2wus n ALA 84 Cb 1.06 0.13 0.77 0.00 0.00 0.00 0.00 19.45 21.41 2wus n ALA 84 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2wus h GLU 85 N 0.00 0.01 0.00 0.00 4.81 -1.32 0.63 114.58 118.71 2wus h GLU 85 Ca 0.00 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2wus h GLU 85 Cb 0.00 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2wus h GLU 85 CO 0.00 0.01 -0.18 1.49 -0.73 0.00 0.00 179.01 179.60 2wus h GLU 86 N 0.01 0.00 0.00 1.92 4.81 -1.50 -3.38 114.58 116.44 2wus h GLU 86 Ca 0.90 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 60.13 2wus h GLU 86 Cb 3.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 32.73 2wus h GLU 86 CO -0.17 0.18 0.00 0.28 -0.73 0.00 0.00 179.01 178.57 2wus n VAL 87 N -3.18 0.00 1.70 0.32 0.31 0.22 -5.08 118.33 112.62 2wus n VAL 87 Ca 0.02 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.50 2wus n VAL 87 Cb 0.54 -0.94 0.70 0.00 -0.91 0.00 0.00 33.84 33.22 2wus n VAL 87 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72