#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yus s SER 2 N 0.00 2.82 -0.06 1.61 0.01 -1.26 -5.01 113.70 111.81 2yus s SER 2 Ca 0.00 -0.53 -0.06 0.00 1.31 0.00 0.00 55.95 56.67 2yus s SER 2 Cb 0.00 -1.29 -0.03 0.00 0.21 0.00 0.00 66.02 64.91 2yus s SER 2 CO 0.00 0.06 -0.14 -1.54 0.41 0.00 0.00 173.24 172.03 2yus n SER 3 N 4.09 1.09 -4.64 2.44 3.41 -1.26 -5.09 113.62 113.65 2yus n SER 3 Ca -0.20 0.17 -0.30 0.00 -0.26 0.00 0.00 58.87 58.29 2yus n SER 3 Cb 0.51 -0.40 -0.09 0.00 -0.26 0.00 0.00 64.21 63.97 2yus n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yus s GLY 4 N -4.78 2.74 0.07 5.00 0.00 -1.26 -5.07 107.32 104.02 2yus s GLY 4 Ca -0.13 -1.27 -0.32 0.00 0.00 0.00 0.00 44.72 43.00 2yus s GLY 4 CO 0.18 -2.11 1.49 1.76 0.00 0.00 0.00 173.10 174.41 2yus h SER 5 N 1.59 -1.14 -3.89 1.64 0.02 -2.04 -3.43 113.55 106.29 2yus h SER 5 Ca -0.43 0.07 -0.56 0.00 -0.84 0.00 0.00 61.79 60.04 2yus h SER 5 Cb 1.28 0.35 0.14 0.00 0.14 0.00 0.00 62.40 64.31 2yus h SER 5 CO 0.75 -0.64 0.54 -0.24 -1.14 0.00 0.00 176.83 176.11 2yus n SER 6 N -5.15 2.51 -4.44 3.07 2.88 -1.26 -4.87 113.62 106.37 2yus n SER 6 Ca -0.12 0.99 -0.43 0.00 -1.33 0.00 0.00 58.87 57.98 2yus n SER 6 Cb 0.43 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 2yus n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yus n GLY 7 N 0.81 2.91 3.54 0.46 0.00 -1.26 -4.94 105.19 106.71 2yus n GLY 7 Ca 0.10 -1.50 -0.44 0.00 0.00 0.00 0.00 46.02 44.18 2yus n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yus n THR 8 N 6.15 2.02 -3.58 2.61 -2.24 -1.26 -4.98 114.28 113.00 2yus n THR 8 Ca 0.49 -0.50 -0.06 0.00 -2.27 0.00 0.00 64.05 61.71 2yus n THR 8 Cb 0.45 -0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 67.85 2yus n THR 8 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2yus s LEU 9 N 0.90 -0.22 0.06 3.22 0.05 -1.26 -5.15 118.68 116.28 2yus s LEU 9 Ca 0.61 0.08 0.04 0.00 0.05 0.00 0.00 54.13 54.92 2yus s LEU 9 Cb -0.69 1.58 -0.03 0.00 -2.05 0.00 0.00 46.19 45.01 2yus s LEU 9 CO 0.59 -0.32 -0.12 0.00 -0.55 0.00 0.00 176.35 175.95 2yus s ALA 10 N -2.14 1.01 -0.19 1.48 0.00 -1.26 -5.14 121.76 115.51 2yus s ALA 10 Ca 0.06 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2yus s ALA 10 Cb -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.06 2yus s ALA 10 CO -0.05 0.12 -0.14 -1.59 0.00 0.00 0.00 175.76 174.10 2yus s LYS 11 N -1.70 3.14 -0.37 0.00 -2.85 -1.26 -5.09 119.74 111.61 2yus s LYS 11 Ca -0.04 -0.75 -0.06 0.00 -1.00 0.00 0.00 55.97 54.11 2yus s LYS 11 Cb -0.10 -2.72 0.07 0.00 -2.06 0.00 0.00 37.83 33.01 2yus s LYS 11 CO 0.02 -0.19 0.17 0.45 0.10 0.00 0.00 175.35 175.90 2yus s SER 12 N 1.31 5.38 -0.03 0.03 0.15 -1.26 -5.08 113.70 114.20 2yus s SER 12 Ca 0.04 -1.43 0.05 0.00 0.70 0.00 0.00 55.95 55.31 2yus s SER 12 Cb -0.14 -1.89 -0.01 0.00 -1.71 0.00 0.00 66.02 62.28 2yus s SER 12 CO -0.09 -0.43 -0.18 -0.75 1.20 0.00 0.00 173.24 172.99 2yus s LYS 13 N 1.35 1.71 0.00 5.44 2.47 -1.26 -4.95 119.74 124.50 2yus s LYS 13 Ca 0.01 -0.65 0.00 0.00 -1.56 0.00 0.00 55.97 53.78 2yus s LYS 13 Cb -0.21 -1.54 0.00 0.00 -1.46 0.00 0.00 37.83 34.61 2yus s LYS 13 CO 0.01 0.32 0.00 0.41 0.16 0.00 0.00 175.35 176.25 2yus n GLY 14 N 2.91 -0.04 0.13 5.54 0.00 -1.26 -4.99 105.19 107.48 2yus n GLY 14 Ca -0.17 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 2yus n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yus n ALA 15 N -1.45 1.25 -1.55 4.61 0.00 -1.26 -4.86 120.51 117.25 2yus n ALA 15 Ca 0.00 -0.97 -0.38 0.00 0.00 0.00 0.00 53.44 52.09 2yus n ALA 15 Cb 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 2yus n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2yus n SER 16 N -3.54 2.21 -4.87 0.00 7.64 -1.26 -4.93 113.62 108.87 2yus n SER 16 Ca -0.44 -0.30 -0.31 0.00 1.01 0.00 0.00 58.87 58.84 2yus n SER 16 Cb 0.97 -1.49 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 2yus n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yus s ALA 17 N 11.15 3.30 0.00 -0.43 0.00 -1.26 -4.94 121.76 129.57 2yus s ALA 17 Ca 1.03 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2yus s ALA 17 Cb -0.35 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2yus s ALA 17 CO 0.31 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.42 2yus n GLY 18 N -1.37 -0.53 3.79 0.00 0.00 -1.26 -5.14 105.19 100.67 2yus n GLY 18 Ca 0.03 0.37 -0.27 0.00 0.00 0.00 0.00 46.02 46.15 2yus n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yus s ARG 19 N 0.00 2.87 -0.14 1.61 3.00 -1.26 -5.13 118.95 119.90 2yus s ARG 19 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 55.73 54.77 2yus s ARG 19 Cb 0.00 -2.64 0.04 0.00 0.00 0.00 0.00 34.95 32.35 2yus s ARG 19 CO 0.00 0.50 0.36 -1.21 0.00 0.00 0.00 175.30 174.95 2yus s GLU 20 N -2.96 0.38 -0.22 3.54 0.41 -1.26 -5.14 118.70 113.46 2yus s GLU 20 Ca 0.30 0.58 -0.20 0.00 -0.41 0.00 0.00 54.97 55.25 2yus s GLU 20 Cb -0.10 0.10 -0.03 0.00 -1.78 0.00 0.00 34.13 32.32 2yus s GLU 20 CO 0.23 -0.09 0.58 -1.58 -0.49 0.00 0.00 175.26 173.90 2yus s TRP 21 N 0.66 3.34 0.06 1.61 0.52 -1.26 -5.06 118.94 118.81 2yus s TRP 21 Ca -0.04 0.82 -0.10 0.00 0.02 0.00 0.00 56.10 56.80 2yus s TRP 21 Cb -0.05 -2.76 -0.06 0.00 -1.15 0.00 0.00 33.47 29.45 2yus s TRP 21 CO -0.04 -0.20 0.40 0.95 0.02 0.00 0.00 176.95 178.08 2yus s THR 22 N 1.99 5.09 0.29 2.01 -4.23 -1.26 -4.89 115.64 114.64 2yus s THR 22 Ca 0.26 0.50 0.18 0.00 -1.18 0.00 0.00 61.69 61.45 2yus s THR 22 Cb -0.16 -3.65 0.29 0.00 1.34 0.00 0.00 72.50 70.32 2yus s THR 22 CO 0.10 0.34 1.19 1.21 -0.54 0.00 0.00 174.62 176.91 2yus n GLU 23 N 1.06 -0.04 0.06 3.99 0.00 -1.26 0.18 120.64 124.63 2yus n GLU 23 Ca -0.09 1.02 -0.12 0.00 0.00 0.00 0.00 57.16 57.96 2yus n GLU 23 Cb 0.52 -1.87 -0.07 0.00 0.00 0.00 0.00 31.44 30.03 2yus n GLU 23 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2yus h GLN 24 N 0.00 -0.05 0.31 5.31 4.15 -2.01 -2.94 115.11 119.87 2yus h GLN 24 Ca 0.64 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 60.05 2yus h GLN 24 Cb 1.79 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.50 2yus h GLN 24 CO -0.53 -0.03 -0.15 0.93 -1.93 0.00 0.00 178.83 177.12 2yus h GLU 25 N -0.06 -0.40 -0.95 1.69 5.08 0.15 -2.88 114.58 117.21 2yus h GLU 25 Ca -0.01 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.56 2yus h GLU 25 Cb 0.05 0.09 -0.17 0.00 0.50 0.00 0.00 28.75 29.22 2yus h GLU 25 CO 0.01 -0.26 -0.28 2.41 -1.00 0.00 0.00 179.01 179.89 2yus n THR 26 N -5.26 -0.43 0.31 1.13 -1.04 -0.79 -0.52 114.28 107.68 2yus n THR 26 Ca -0.10 2.19 -0.17 0.00 -2.04 0.00 0.00 64.05 63.93 2yus n THR 26 Cb 0.19 -2.98 -0.08 0.00 -1.82 0.00 0.00 70.33 65.64 2yus n THR 26 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2yus h LEU 27 N 0.00 -0.91 -0.84 -4.42 3.38 -1.36 -2.88 115.31 108.28 2yus h LEU 27 Ca 0.41 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.59 2yus h LEU 27 Cb 0.65 0.28 -0.15 0.00 0.09 0.00 0.00 40.66 41.52 2yus h LEU 27 CO -0.96 -0.55 -0.28 -0.07 0.09 0.00 0.00 178.44 176.67 2yus h LEU 28 N -0.86 -1.01 -0.81 1.67 3.38 -0.60 0.42 115.31 117.51 2yus h LEU 28 Ca -0.06 0.26 0.19 0.00 0.09 0.00 0.00 57.88 58.36 2yus h LEU 28 Cb 0.71 0.59 -0.12 0.00 0.09 0.00 0.00 40.66 41.93 2yus h LEU 28 CO 0.05 -0.29 0.20 0.25 0.09 0.00 0.00 178.44 178.74 2yus h LEU 29 N -0.03 0.00 0.26 1.67 5.85 -1.06 -1.42 115.31 120.58 2yus h LEU 29 Ca 0.36 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 59.24 2yus h LEU 29 Cb 0.61 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.87 2yus h LEU 29 CO -0.87 -0.09 -0.12 -0.07 -0.34 0.00 0.00 178.44 176.95 2yus h LEU 30 N 0.25 -0.29 -0.99 2.25 3.38 -0.11 -1.25 115.31 118.54 2yus h LEU 30 Ca 0.48 -0.19 0.19 0.00 0.09 0.00 0.00 57.88 58.44 2yus h LEU 30 Cb 0.88 0.08 -0.18 0.00 0.09 0.00 0.00 40.66 41.53 2yus h LEU 30 CO -0.58 0.05 -0.29 -0.08 0.09 0.00 0.00 178.44 177.63 2yus h GLU 31 N -0.66 -0.00 -0.34 1.13 4.81 -0.15 0.46 114.58 119.82 2yus h GLU 31 Ca -0.04 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 2yus h GLU 31 Cb 0.46 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2yus h GLU 31 CO 0.06 -0.00 -0.41 0.00 -0.73 0.00 0.00 179.01 177.92 2yus h ALA 32 N 1.81 0.51 0.00 2.92 0.00 -1.39 -2.89 119.26 120.22 2yus h ALA 32 Ca 0.44 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2yus h ALA 32 Cb 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2yus h ALA 32 CO -1.01 0.63 0.43 -0.07 0.00 0.00 0.00 179.25 179.24 2yus h LEU 33 N 0.68 0.00 0.11 0.00 3.38 0.11 0.94 115.31 120.53 2yus h LEU 33 Ca 0.05 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.73 2yus h LEU 33 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2yus h LEU 33 CO 0.10 0.00 -1.51 -0.33 0.09 0.00 0.00 178.44 176.79 2yus h GLU 34 N 0.00 0.23 0.00 1.13 3.07 -1.18 -3.11 114.58 114.72 2yus h GLU 34 Ca 0.00 -0.40 -0.02 0.00 -0.50 0.00 0.00 59.36 58.44 2yus h GLU 34 Cb 0.87 0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.92 2yus h GLU 34 CO 0.00 1.19 -0.50 0.52 -1.40 0.00 0.00 179.01 178.82 2yus h MET 35 N -0.28 0.00 -1.13 2.33 2.86 -0.60 -3.38 114.93 114.73 2yus h MET 35 Ca -0.33 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 56.83 2yus h MET 35 Cb 1.78 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 33.21 2yus h MET 35 CO 0.05 0.12 0.62 0.66 1.06 0.00 0.00 176.91 179.41 2yus n TYR 36 N -4.62 2.49 -0.29 -0.22 4.01 0.29 -4.73 117.16 114.08 2yus n TYR 36 Ca -0.09 -2.18 -0.04 0.00 -0.16 0.00 0.00 57.90 55.43 2yus n TYR 36 Cb 0.27 -1.07 -0.02 0.00 -0.31 0.00 0.00 39.34 38.21 2yus n TYR 36 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2yus n LYS 37 N -0.56 -0.24 -0.07 -0.72 4.81 -1.09 -1.88 118.16 118.41 2yus n LYS 37 Ca 0.49 1.11 -0.21 0.00 -0.87 0.00 0.00 58.31 58.83 2yus n LYS 37 Cb 0.95 -1.64 -0.12 0.00 0.02 0.00 0.00 35.03 34.24 2yus n LYS 37 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2yus h ASP 38 N 0.00 0.11 -0.12 3.14 2.03 -1.86 -3.43 116.42 116.29 2yus h ASP 38 Ca 0.19 -0.68 -0.03 0.00 -0.73 0.00 0.00 57.03 55.78 2yus h ASP 38 Cb 0.37 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.82 2yus h ASP 38 CO -0.70 1.49 0.35 0.47 -1.03 0.00 0.00 179.24 179.82 2yus n ASP 39 N -4.27 0.62 -0.14 4.15 9.92 -0.79 -4.68 116.55 121.36 2yus n ASP 39 Ca -0.28 -1.90 -0.11 0.00 -0.53 0.00 0.00 54.79 51.97 2yus n ASP 39 Cb 0.73 -1.42 -0.01 0.00 -0.64 0.00 0.00 41.12 39.78 2yus n ASP 39 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 2yus h TRP 40 N 11.40 0.84 -0.96 1.24 4.06 -1.84 -2.72 115.95 127.97 2yus h TRP 40 Ca 0.00 -0.16 0.26 0.00 2.06 0.00 0.00 58.89 61.06 2yus h TRP 40 Cb 1.01 -0.21 -0.18 0.00 -1.00 0.00 0.00 29.16 28.78 2yus h TRP 40 CO 1.18 0.85 0.04 -0.97 -3.56 0.00 0.00 178.44 175.98 2yus h ASN 41 N 0.59 -0.43 -0.05 -3.49 -0.73 -1.93 0.31 115.58 109.85 2yus h ASN 41 Ca 0.11 0.27 -0.17 0.00 1.87 0.00 0.00 56.30 58.38 2yus h ASN 41 Cb 0.54 0.46 0.01 0.00 0.27 0.00 0.00 38.32 39.59 2yus h ASN 41 CO 0.03 -0.33 -0.63 0.11 -0.37 0.00 0.00 177.43 176.24 2yus h LYS 42 N 0.03 0.53 -0.66 6.67 1.79 -1.91 -3.30 116.57 119.71 2yus h LYS 42 Ca 0.58 -0.49 0.13 0.00 -2.18 0.00 0.00 60.65 58.69 2yus h LYS 42 Cb 1.18 0.12 -0.13 0.00 -1.58 0.00 0.00 32.23 31.83 2yus h LYS 42 CO -0.88 1.13 -0.23 0.28 -1.08 0.00 0.00 179.45 178.67 2yus h VAL 43 N 0.11 0.26 -0.32 0.50 2.07 -0.11 0.79 116.25 119.55 2yus h VAL 43 Ca -0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.55 2yus h VAL 43 Cb 1.30 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2yus h VAL 43 CO 0.13 0.00 0.24 0.77 0.02 0.00 0.00 177.57 178.72 2yus h SER 44 N -0.05 0.00 0.22 0.57 4.64 -1.32 -1.56 113.55 116.05 2yus h SER 44 Ca 0.30 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.31 2yus h SER 44 Cb 0.52 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.64 2yus h SER 44 CO -0.71 0.00 -1.44 -0.33 -0.87 0.00 0.00 176.83 173.48 2yus h GLU 45 N 0.00 0.47 -0.33 4.77 4.39 0.30 -3.27 114.58 120.91 2yus h GLU 45 Ca 0.15 -0.80 0.07 0.00 0.34 0.00 0.00 59.36 59.12 2yus h GLU 45 Cb 0.62 0.30 -0.07 0.00 -0.10 0.00 0.00 28.75 29.50 2yus h GLU 45 CO -0.00 1.38 -0.14 1.25 -1.16 0.00 0.00 179.01 180.34 2yus h HIS 46 N 0.04 -0.34 0.38 4.33 -0.00 0.54 -2.92 115.15 117.18 2yus h HIS 46 Ca -0.26 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.13 2yus h HIS 46 Cb 2.06 0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 29.66 2yus h HIS 46 CO 0.13 -0.21 -0.36 0.28 -0.00 0.00 0.00 177.93 177.77 2yus h VAL 47 N -0.08 0.00 0.00 5.26 2.07 -1.60 -3.48 116.25 118.42 2yus h VAL 47 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2yus h VAL 47 Cb 0.34 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2yus h VAL 47 CO -0.39 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.81 2yus n GLY 48 N -1.40 2.56 2.73 2.17 0.00 -1.11 -4.90 105.19 105.25 2yus n GLY 48 Ca -0.09 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 2yus n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yus n SER 49 N 0.00 6.28 -3.71 1.61 7.64 -1.26 -4.95 113.62 119.23 2yus n SER 49 Ca 0.00 -3.77 -0.14 0.00 1.01 0.00 0.00 58.87 55.97 2yus n SER 49 Cb 0.00 -0.82 -0.08 0.00 -1.01 0.00 0.00 64.21 62.30 2yus n SER 49 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2yus s ARG 50 N -3.86 0.76 0.15 1.43 1.81 -1.26 -5.12 118.95 112.85 2yus s ARG 50 Ca 0.49 -0.14 0.06 0.00 -1.72 0.00 0.00 55.73 54.42 2yus s ARG 50 Cb 0.39 0.34 -0.04 0.00 -0.45 0.00 0.00 34.95 35.20 2yus s ARG 50 CO -0.29 -0.22 0.04 -0.08 -0.68 0.00 0.00 175.30 174.06 2yus s THR 51 N -1.46 4.04 0.11 0.02 -1.32 -1.26 -4.53 115.64 111.24 2yus s THR 51 Ca -0.12 -1.19 -0.20 0.00 -1.21 0.00 0.00 61.69 58.97 2yus s THR 51 Cb -0.04 -3.01 -0.05 0.00 -1.51 0.00 0.00 72.50 67.89 2yus s THR 51 CO 0.04 -0.04 1.08 0.00 -2.21 0.00 0.00 174.62 173.49 2yus n GLN 52 N 0.02 -0.29 -0.03 7.08 6.02 -1.26 -0.77 117.38 128.15 2yus n GLN 52 Ca -0.10 1.06 -0.08 0.00 -0.01 0.00 0.00 57.00 57.87 2yus n GLN 52 Cb 0.54 -1.56 -0.05 0.00 1.02 0.00 0.00 30.24 30.19 2yus n GLN 52 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2yus h ASP 53 N 0.00 -0.96 -0.81 1.08 3.32 -1.96 -1.08 116.42 116.02 2yus h ASP 53 Ca 0.11 0.12 0.13 0.00 0.02 0.00 0.00 57.03 57.40 2yus h ASP 53 Cb 0.27 0.38 -0.14 0.00 0.22 0.00 0.00 39.33 40.06 2yus h ASP 53 CO -0.62 -0.25 -0.37 -0.33 -1.72 0.00 0.00 179.24 175.96 2yus h GLU 54 N -0.28 -0.07 -0.23 3.56 5.08 -1.35 -0.16 114.58 121.13 2yus h GLU 54 Ca 0.02 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2yus h GLU 54 Cb 0.35 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 2yus h GLU 54 CO -0.26 -0.05 -0.41 0.00 -1.00 0.00 0.00 179.01 177.29 2yus h ILE 56 N -0.42 0.45 0.97 0.00 2.04 0.20 -1.10 117.51 119.65 2yus h ILE 56 Ca 0.10 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 2yus h ILE 56 Cb 0.60 0.28 0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2yus h ILE 56 CO -0.45 0.03 -0.49 -0.07 0.00 0.00 0.00 178.15 177.16 2yus h LEU 57 N 0.16 -1.18 -0.90 1.44 3.38 -0.30 -2.83 115.31 115.07 2yus h LEU 57 Ca 0.38 0.05 0.25 0.00 0.09 0.00 0.00 57.88 58.65 2yus h LEU 57 Cb 0.64 0.32 -0.15 0.00 0.09 0.00 0.00 40.66 41.56 2yus h LEU 57 CO -0.56 -0.81 0.23 -0.74 0.09 0.00 0.00 178.44 176.64 2yus h HIS 58 N -1.33 0.33 -0.85 1.13 2.76 -0.48 0.49 115.15 117.20 2yus h HIS 58 Ca -0.13 0.05 0.14 0.00 -2.20 0.00 0.00 60.37 58.23 2yus h HIS 58 Cb 1.03 -0.00 -0.09 0.00 1.55 0.00 0.00 27.41 29.90 2yus h HIS 58 CO -0.03 -0.26 0.45 0.35 -1.30 0.00 0.00 177.93 177.15 2yus h PHE 59 N 0.17 0.80 -0.44 5.26 3.57 -0.98 0.22 116.94 125.55 2yus h PHE 59 Ca 0.58 0.03 -0.28 0.00 3.53 0.00 0.00 57.97 61.84 2yus h PHE 59 Cb 1.21 -0.23 -0.13 0.00 2.79 0.00 0.00 35.95 39.59 2yus h PHE 59 CO -0.28 0.22 0.36 1.28 -2.23 0.00 0.00 178.31 177.66 2yus n LEU 60 N -4.83 5.90 0.00 0.59 4.77 0.17 -3.93 117.00 119.67 2yus n LEU 60 Ca 0.16 -3.01 0.00 0.00 -0.03 0.00 0.00 56.01 53.14 2yus n LEU 60 Cb 0.40 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 2yus n LEU 60 CO 0.22 1.08 -0.28 0.54 -1.33 0.00 0.00 177.39 177.62 2yus n ARG 61 N 0.26 0.00 -1.03 3.23 5.12 0.06 -5.04 116.66 119.26 2yus n ARG 61 Ca 0.27 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.86 2yus n ARG 61 Cb 0.69 -0.45 0.02 0.00 -1.16 0.00 0.00 32.46 31.56 2yus n ARG 61 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2yus n LEU 62 N -2.54 -3.68 0.00 0.55 4.77 -1.17 -4.93 117.00 110.00 2yus n LEU 62 Ca 0.00 0.47 -0.27 0.00 -0.03 0.00 0.00 56.01 56.18 2yus n LEU 62 Cb 0.28 -0.72 0.22 0.00 -2.33 0.00 0.00 43.42 40.88 2yus n LEU 62 CO 0.00 -4.41 0.54 -0.81 -1.33 0.00 0.00 177.39 171.38 2yus n PRO 63 N 1.51 -2.92 -2.83 3.23 -0.04 -1.26 -5.02 135.00 127.68 2yus n PRO 63 Ca 0.05 -1.56 -0.33 0.00 -0.04 0.00 0.00 63.50 61.61 2yus n PRO 63 Cb 0.43 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 2yus n PRO 63 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2yus s ILE 64 N -2.77 4.38 0.20 0.52 -5.25 -1.26 -5.02 121.20 112.00 2yus s ILE 64 Ca 0.63 1.51 -0.30 0.00 -0.99 0.00 0.00 60.65 61.50 2yus s ILE 64 Cb -0.06 -3.65 -0.08 0.00 2.95 0.00 0.00 42.46 41.61 2yus s ILE 64 CO 0.49 -0.25 1.12 -1.83 -1.79 0.00 0.00 174.94 172.67 2yus s GLU 65 N -3.02 4.58 0.06 0.37 -1.05 -1.26 -5.05 118.70 113.33 2yus s GLU 65 Ca 0.60 1.77 0.09 0.00 -0.15 0.00 0.00 54.97 57.28 2yus s GLU 65 Cb -0.10 -3.25 -0.03 0.00 -0.44 0.00 0.00 34.13 30.31 2yus s GLU 65 CO 0.15 0.07 -0.25 0.16 0.95 0.00 0.00 175.26 176.34 2yus s ASP 66 N -0.24 2.96 0.04 0.83 -4.77 -1.26 -5.05 116.67 109.18 2yus s ASP 66 Ca 0.49 -0.60 -0.20 0.00 -3.30 0.00 0.00 52.55 48.94 2yus s ASP 66 Cb -0.31 -0.25 -0.14 0.00 -1.09 0.00 0.00 42.92 41.14 2yus s ASP 66 CO 0.37 0.21 1.35 1.55 0.70 0.00 0.00 175.17 179.35 2yus h PRO 67 N 4.64 0.39 -1.80 2.11 0.13 -2.08 -3.44 132.00 131.95 2yus h PRO 67 Ca -0.46 -0.20 -0.13 0.00 -0.87 0.00 0.00 66.00 64.34 2yus h PRO 67 Cb 1.15 0.01 -0.29 0.00 0.13 0.00 0.00 31.00 32.00 2yus h PRO 67 CO 0.43 0.76 -0.46 1.52 -0.23 0.00 0.00 178.00 180.01 2yus s TYR 68 N -4.32 -0.90 -0.30 1.56 1.13 -1.26 -5.13 117.35 108.13 2yus s TYR 68 Ca -0.14 0.90 -0.14 0.00 -1.41 0.00 0.00 57.07 56.29 2yus s TYR 68 Cb 0.05 0.07 0.14 0.00 -1.10 0.00 0.00 41.96 41.12 2yus s TYR 68 CO 0.76 -0.74 0.85 -1.17 -2.51 0.00 0.00 175.55 172.74 2yus s LEU 69 N 2.58 -0.79 -0.14 -3.49 0.20 -1.26 -5.12 118.68 110.65 2yus s LEU 69 Ca 0.13 1.12 -0.29 0.00 0.69 0.00 0.00 54.13 55.78 2yus s LEU 69 Cb -0.15 1.95 -0.06 0.00 -0.43 0.00 0.00 46.19 47.49 2yus s LEU 69 CO -0.17 -0.16 2.04 -1.61 -0.29 0.00 0.00 176.35 176.17 2yus s GLU 70 N 2.38 3.55 0.67 1.98 8.01 -1.26 -4.97 118.70 129.06 2yus s GLU 70 Ca -0.05 2.14 -0.07 0.00 0.01 0.00 0.00 54.97 57.00 2yus s GLU 70 Cb -0.08 -4.26 0.04 0.00 -4.31 0.00 0.00 34.13 25.53 2yus s GLU 70 CO -0.18 -1.63 0.99 0.54 0.01 0.00 0.00 175.26 174.99 2yus s ASN 71 N 6.44 5.12 1.15 -0.19 4.22 -1.26 -5.05 114.94 125.37 2yus s ASN 71 Ca 0.92 0.61 -0.18 0.00 -2.14 0.00 0.00 52.86 52.08 2yus s ASN 71 Cb -0.35 -1.39 0.17 0.00 1.28 0.00 0.00 41.25 40.97 2yus s ASN 71 CO 0.36 -1.40 0.27 -1.20 -2.04 0.00 0.00 177.10 173.09 2yus n SER 72 N -2.83 -2.65 -4.67 3.54 7.64 -1.26 -5.01 113.62 108.38 2yus n SER 72 Ca 0.07 -0.28 -0.31 0.00 1.01 0.00 0.00 58.87 59.36 2yus n SER 72 Cb 0.59 -0.95 -0.08 0.00 -1.01 0.00 0.00 64.21 62.76 2yus n SER 72 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2yus s ASP 73 N -2.06 4.96 0.25 6.43 -4.77 -1.26 -5.02 116.67 115.21 2yus s ASP 73 Ca 0.54 -0.16 -0.03 0.00 -3.30 0.00 0.00 52.55 49.60 2yus s ASP 73 Cb -0.12 -1.19 0.51 0.00 -1.09 0.00 0.00 42.92 41.04 2yus s ASP 73 CO 0.58 0.20 1.71 0.77 0.70 0.00 0.00 175.17 179.13 2yus h SER 74 N 3.70 0.18 -1.73 2.11 4.64 -2.07 -3.47 113.55 116.91 2yus h SER 74 Ca -0.48 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2yus h SER 74 Cb 1.17 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2yus h SER 74 CO 0.58 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 2yus n GLY 75 N -1.34 -1.48 1.37 -0.77 0.00 -1.26 -4.92 105.19 96.79 2yus n GLY 75 Ca 0.16 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 2yus n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yus n PRO 76 N -0.18 -1.85 -3.01 1.61 -0.04 -1.26 -4.94 135.00 125.33 2yus n PRO 76 Ca 0.00 -0.68 -0.44 0.00 -0.04 0.00 0.00 63.50 62.33 2yus n PRO 76 Cb 0.00 -0.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 2yus n PRO 76 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yus s SER 77 N -2.66 6.63 0.03 3.54 0.15 -1.26 -5.01 113.70 115.13 2yus s SER 77 Ca 0.28 -2.13 -0.32 0.00 0.70 0.00 0.00 55.95 54.48 2yus s SER 77 Cb -0.03 -2.36 -0.11 0.00 -1.71 0.00 0.00 66.02 61.81 2yus s SER 77 CO 0.21 -0.98 1.86 -1.54 1.20 0.00 0.00 173.24 173.99 2yus n SER 78 N 6.08 3.75 -0.60 5.45 3.41 -1.26 -5.32 113.62 125.12 2yus n SER 78 Ca 0.20 0.97 0.13 0.00 -0.26 0.00 0.00 58.87 59.92 2yus n SER 78 Cb 0.48 -1.46 0.42 0.00 -0.26 0.00 0.00 64.21 63.39 2yus n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49