#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yus n SER 2 N 0.00 3.11 -4.56 1.61 2.88 -1.26 -4.99 113.62 110.41 2yus n SER 2 Ca 0.00 1.12 -0.33 0.00 -1.33 0.00 0.00 58.87 58.34 2yus n SER 2 Cb 0.00 -1.47 -0.11 0.00 -0.75 0.00 0.00 64.21 61.88 2yus n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yus s SER 3 N 0.52 4.44 -0.42 -3.46 0.15 -1.26 -5.09 113.70 108.58 2yus s SER 3 Ca 0.70 -0.15 -0.18 0.00 0.70 0.00 0.00 55.95 57.03 2yus s SER 3 Cb -0.62 -1.02 0.02 0.00 -1.71 0.00 0.00 66.02 62.69 2yus s SER 3 CO 0.46 0.32 0.48 -0.83 1.20 0.00 0.00 173.24 174.86 2yus s GLY 4 N -1.11 1.86 0.76 9.45 0.00 -1.26 -5.06 107.32 111.95 2yus s GLY 4 Ca 0.14 -1.43 -0.04 0.00 0.00 0.00 0.00 44.72 43.40 2yus s GLY 4 CO 0.04 1.23 1.05 -0.56 0.00 0.00 0.00 173.10 174.87 2yus s SER 5 N 1.84 4.14 -0.04 1.64 0.01 -1.26 -5.11 113.70 114.91 2yus s SER 5 Ca 0.14 -0.23 -0.01 0.00 1.31 0.00 0.00 55.95 57.16 2yus s SER 5 Cb -0.16 -0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.00 2yus s SER 5 CO 0.15 -2.01 0.03 -0.44 0.41 0.00 0.00 173.24 171.38 2yus s SER 6 N -4.76 1.05 0.00 2.44 0.01 -1.26 -5.05 113.70 106.14 2yus s SER 6 Ca 0.67 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2yus s SER 6 Cb -0.05 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2yus s SER 6 CO 0.46 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2yus n GLY 7 N 4.98 1.53 2.67 3.44 0.00 -1.26 -5.14 105.19 111.42 2yus n GLY 7 Ca -0.10 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 2yus n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yus s THR 8 N 0.00 0.62 -0.31 2.61 2.01 -1.26 -5.10 115.64 114.21 2yus s THR 8 Ca 0.00 -1.28 -0.05 0.00 0.31 0.00 0.00 61.69 60.67 2yus s THR 8 Cb 0.00 -1.48 0.03 0.00 0.01 0.00 0.00 72.50 71.06 2yus s THR 8 CO 0.00 -0.71 0.06 -0.76 -0.69 0.00 0.00 174.62 172.52 2yus s LEU 9 N 1.69 3.96 -0.30 4.42 2.01 -1.26 -5.03 118.68 124.17 2yus s LEU 9 Ca 0.10 -1.00 -0.13 0.00 0.01 0.00 0.00 54.13 53.10 2yus s LEU 9 Cb -0.17 -1.82 0.18 0.00 0.01 0.00 0.00 46.19 44.39 2yus s LEU 9 CO -0.27 -0.25 1.05 0.00 1.01 0.00 0.00 176.35 177.89 2yus s ALA 10 N 1.39 -3.41 0.12 4.21 0.00 -1.26 -5.17 121.76 117.63 2yus s ALA 10 Ca -0.01 1.46 0.07 0.00 0.00 0.00 0.00 51.96 53.48 2yus s ALA 10 Cb -0.18 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 2yus s ALA 10 CO 0.01 -1.43 -0.17 0.15 0.00 0.00 0.00 175.76 174.32 2yus s LYS 11 N 2.92 1.07 -0.26 0.00 3.01 -1.26 -5.15 119.74 120.07 2yus s LYS 11 Ca -0.01 -1.20 -0.26 0.00 -1.01 0.00 0.00 55.97 53.48 2yus s LYS 11 Cb -0.10 -1.14 0.15 0.00 -1.01 0.00 0.00 37.83 35.73 2yus s LYS 11 CO -0.11 0.24 1.16 0.45 0.51 0.00 0.00 175.35 177.60 2yus s SER 12 N -2.20 -0.30 -0.06 2.83 0.15 -1.26 -5.08 113.70 107.78 2yus s SER 12 Ca 0.08 0.51 -0.03 0.00 0.70 0.00 0.00 55.95 57.21 2yus s SER 12 Cb -0.08 0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 64.71 2yus s SER 12 CO 0.04 -0.14 -0.07 0.29 1.20 0.00 0.00 173.24 174.55 2yus n LYS 13 N 1.62 0.12 -2.32 5.44 4.76 -1.26 -5.12 118.16 121.40 2yus n LYS 13 Ca -0.10 0.05 -0.01 0.00 -2.87 0.00 0.00 58.31 55.38 2yus n LYS 13 Cb 0.57 -0.70 -0.01 0.00 -1.84 0.00 0.00 35.03 33.05 2yus n LYS 13 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2yus n GLY 14 N 2.65 -4.11 3.84 0.72 0.00 -1.26 -5.06 105.19 101.96 2yus n GLY 14 Ca -0.11 0.54 -0.21 0.00 0.00 0.00 0.00 46.02 46.23 2yus n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yus s ALA 15 N -0.93 3.82 -0.09 4.61 0.00 -1.26 -5.13 121.76 122.77 2yus s ALA 15 Ca -0.06 -1.71 0.03 0.00 0.00 0.00 0.00 51.96 50.21 2yus s ALA 15 Cb 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 22.05 2yus s ALA 15 CO 0.55 -0.02 -0.17 -1.54 0.00 0.00 0.00 175.76 174.59 2yus s SER 16 N -3.99 2.37 0.51 0.00 1.04 -1.26 -5.13 113.70 107.24 2yus s SER 16 Ca 0.41 -0.42 -0.15 0.00 0.48 0.00 0.00 55.95 56.28 2yus s SER 16 Cb -0.05 -1.08 -0.07 0.00 0.10 0.00 0.00 66.02 64.92 2yus s SER 16 CO 0.26 0.06 0.96 0.00 0.98 0.00 0.00 173.24 175.50 2yus s ALA 17 N 0.69 3.12 0.00 5.32 0.00 -1.26 -4.72 121.76 124.91 2yus s ALA 17 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2yus s ALA 17 Cb -0.16 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2yus s ALA 17 CO 0.03 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2yus n GLY 18 N -1.72 0.34 3.99 0.00 0.00 -1.26 -4.55 105.19 101.99 2yus n GLY 18 Ca 0.06 0.64 -0.19 0.00 0.00 0.00 0.00 46.02 46.53 2yus n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2yus s ARG 19 N 0.00 3.09 0.35 1.61 3.52 -1.26 -5.01 118.95 121.26 2yus s ARG 19 Ca 0.00 -1.01 0.26 0.00 -0.13 0.00 0.00 55.73 54.84 2yus s ARG 19 Cb 0.00 -2.81 0.75 0.00 -1.56 0.00 0.00 34.95 31.33 2yus s ARG 19 CO 0.00 0.03 1.74 1.05 -0.81 0.00 0.00 175.30 177.30 2yus h GLU 20 N 0.86 0.00 -4.57 5.12 4.11 -1.88 -3.46 114.58 114.76 2yus h GLU 20 Ca -0.45 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 58.75 2yus h GLU 20 Cb 1.26 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.36 2yus h GLU 20 CO 0.52 0.00 -0.64 -1.58 0.07 0.00 0.00 179.01 177.38 2yus s TRP 21 N -3.25 1.04 0.20 2.06 0.52 -1.26 -4.98 118.94 113.27 2yus s TRP 21 Ca 0.07 -1.22 0.11 0.00 0.02 0.00 0.00 56.10 55.09 2yus s TRP 21 Cb 0.09 -0.57 -0.04 0.00 -1.15 0.00 0.00 33.47 31.79 2yus s TRP 21 CO 0.59 -0.47 -0.23 0.95 0.02 0.00 0.00 176.95 177.81 2yus s THR 22 N -3.97 2.39 0.14 2.01 -4.23 -1.26 -5.04 115.64 105.69 2yus s THR 22 Ca 0.28 -2.06 -0.18 0.00 -1.18 0.00 0.00 61.69 58.55 2yus s THR 22 Cb 0.07 -2.16 0.01 0.00 1.34 0.00 0.00 72.50 71.77 2yus s THR 22 CO 0.05 -0.14 1.71 -0.33 -0.54 0.00 0.00 174.62 175.36 2yus h GLU 23 N 3.10 0.06 -0.80 3.99 5.08 -2.02 -0.78 114.58 123.22 2yus h GLU 23 Ca -0.46 -0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.09 2yus h GLU 23 Cb 1.21 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.31 2yus h GLU 23 CO 0.49 0.04 0.04 -0.56 -1.00 0.00 0.00 179.01 178.03 2yus h GLN 24 N 0.06 0.11 0.53 2.33 3.07 -2.01 -1.56 115.11 117.65 2yus h GLN 24 Ca 0.14 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.84 2yus h GLN 24 Cb 0.19 -0.03 0.01 0.00 0.08 0.00 0.00 27.48 27.73 2yus h GLN 24 CO -0.24 0.07 -0.26 0.93 0.09 0.00 0.00 178.83 179.43 2yus h GLU 25 N 0.12 -0.69 -0.75 0.06 4.39 -1.80 -3.17 114.58 112.73 2yus h GLU 25 Ca 0.45 0.05 0.10 0.00 0.34 0.00 0.00 59.36 60.30 2yus h GLU 25 Cb 0.82 0.16 -0.11 0.00 -0.10 0.00 0.00 28.75 29.51 2yus h GLU 25 CO -0.69 -0.45 -0.33 2.41 -1.16 0.00 0.00 179.01 178.79 2yus n THR 26 N -5.25 -0.43 -0.27 1.13 -1.04 -0.36 0.19 114.28 108.25 2yus n THR 26 Ca -0.09 1.78 0.05 0.00 -2.04 0.00 0.00 64.05 63.76 2yus n THR 26 Cb 0.28 -2.32 0.19 0.00 -1.82 0.00 0.00 70.33 66.67 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 0.40 -0.28 -4.42 3.38 -1.39 -1.30 115.31 111.70 2yus h LEU 27 Ca 0.23 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 2yus h LEU 27 Cb 0.42 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2yus h LEU 27 CO -0.74 0.17 0.10 -0.07 0.09 0.00 0.00 178.44 177.99 2yus h LEU 28 N 0.53 0.41 -0.85 1.67 3.38 0.21 0.58 115.31 121.24 2yus h LEU 28 Ca 0.42 -0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.35 2yus h LEU 28 Cb 0.60 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 2yus h LEU 28 CO -0.37 0.49 0.44 0.25 0.09 0.00 0.00 178.44 179.34 2yus h LEU 29 N 0.30 0.54 -0.15 1.67 5.85 0.13 0.53 115.31 124.18 2yus h LEU 29 Ca 0.09 0.09 -0.23 0.00 0.84 0.00 0.00 57.88 58.67 2yus h LEU 29 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2yus h LEU 29 CO -0.00 0.23 -0.97 -0.07 -0.34 0.00 0.00 178.44 177.29 2yus h LEU 30 N 0.63 0.49 -1.42 2.25 3.38 -1.15 0.66 115.31 120.16 2yus h LEU 30 Ca 0.46 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2yus h LEU 30 Cb 0.63 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2yus h LEU 30 CO -0.35 1.22 0.04 -0.08 0.09 0.00 0.00 178.44 179.35 2yus h GLU 31 N 0.20 0.42 0.01 1.13 4.57 0.55 -2.85 114.58 118.60 2yus h GLU 31 Ca -0.08 -0.07 -0.32 0.00 -1.18 0.00 0.00 59.36 57.71 2yus h GLU 31 Cb 1.62 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 30.08 2yus h GLU 31 CO 0.16 0.42 -1.90 0.00 -1.18 0.00 0.00 179.01 176.52 2yus n ALA 32 N -2.48 1.45 0.15 2.92 0.00 0.04 -3.98 120.51 118.61 2yus n ALA 32 Ca 0.01 -0.89 0.07 0.00 0.00 0.00 0.00 53.44 52.63 2yus n ALA 32 Cb 0.19 -0.67 0.33 0.00 0.00 0.00 0.00 19.45 19.30 2yus n ALA 32 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yus n LEU 33 N -3.02 0.31 -0.05 0.00 4.77 0.22 0.93 117.00 120.16 2yus n LEU 33 Ca -0.22 0.63 -0.10 0.00 -0.03 0.00 0.00 56.01 56.29 2yus n LEU 33 Cb 1.07 -0.65 -0.15 0.00 -2.33 0.00 0.00 43.42 41.37 2yus n LEU 33 CO 0.44 -0.68 -0.78 -1.84 -1.33 0.00 0.00 177.39 173.20 2yus n GLU 34 N -1.90 0.66 -0.11 3.23 0.28 -1.11 -3.36 120.64 118.33 2yus n GLU 34 Ca -0.00 0.18 -0.18 0.00 -0.16 0.00 0.00 57.16 57.01 2yus n GLU 34 Cb 0.05 -1.69 -0.06 0.00 1.43 0.00 0.00 31.44 31.17 2yus n GLU 34 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2yus n MET 35 N -2.95 0.55 -1.07 3.44 2.81 -0.38 -4.50 117.12 115.02 2yus n MET 35 Ca -0.24 0.30 -0.21 0.00 -1.81 0.00 0.00 57.70 55.74 2yus n MET 35 Cb 1.09 -1.52 0.15 0.00 -0.71 0.00 0.00 33.22 32.23 2yus n MET 35 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2yus n TYR 36 N -4.40 2.65 -0.30 2.03 4.01 0.27 -4.73 117.16 116.69 2yus n TYR 36 Ca -0.30 -1.75 -0.07 0.00 -0.16 0.00 0.00 57.90 55.62 2yus n TYR 36 Cb 0.64 -0.89 -0.06 0.00 -0.31 0.00 0.00 39.34 38.72 2yus n TYR 36 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2yus n LYS 37 N -0.89 -0.31 0.03 -0.72 2.85 -1.17 -1.35 118.16 116.60 2yus n LYS 37 Ca 0.52 1.11 -0.21 0.00 -1.05 0.00 0.00 58.31 58.68 2yus n LYS 37 Cb 1.44 -1.63 -0.14 0.00 -0.65 0.00 0.00 35.03 34.05 2yus n LYS 37 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 2yus h ASP 38 N 0.00 0.42 -0.12 -5.58 2.03 -1.87 -3.40 116.42 107.90 2yus h ASP 38 Ca 0.13 -0.91 -0.38 0.00 -0.73 0.00 0.00 57.03 55.15 2yus h ASP 38 Cb 0.31 -0.14 0.05 0.00 -0.83 0.00 0.00 39.33 38.72 2yus h ASP 38 CO -0.69 1.48 1.10 0.47 -1.03 0.00 0.00 179.24 180.56 2yus n ASP 39 N -4.06 1.82 -0.04 4.15 8.00 -0.46 -4.67 116.55 121.29 2yus n ASP 39 Ca -0.18 -2.57 -0.11 0.00 0.71 0.00 0.00 54.79 52.63 2yus n ASP 39 Cb 0.85 -1.24 -0.05 0.00 -0.02 0.00 0.00 41.12 40.66 2yus n ASP 39 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 2yus h TRP 40 N 10.01 0.25 -1.08 1.24 4.06 -1.79 -2.69 115.95 125.95 2yus h TRP 40 Ca 0.21 -0.01 0.41 0.00 2.06 0.00 0.00 58.89 61.55 2yus h TRP 40 Cb 0.83 -0.08 -0.14 0.00 -1.00 0.00 0.00 29.16 28.77 2yus h TRP 40 CO 1.09 0.28 0.65 0.09 -3.56 0.00 0.00 178.44 176.99 2yus n ASN 41 N -4.88 0.25 0.11 -3.49 3.02 -1.26 0.16 115.26 109.16 2yus n ASN 41 Ca -0.04 1.36 -0.24 0.00 -0.03 0.00 0.00 54.58 55.64 2yus n ASN 41 Cb 0.10 -0.67 -0.15 0.00 -0.61 0.00 0.00 39.78 38.45 2yus n ASN 41 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2yus h LYS 42 N 0.00 0.45 -0.58 3.52 1.57 -1.85 -3.35 116.57 116.33 2yus h LYS 42 Ca 0.78 -0.78 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2yus h LYS 42 Cb 2.30 0.29 -0.10 0.00 0.08 0.00 0.00 32.23 34.80 2yus h LYS 42 CO -0.55 1.37 -0.46 0.28 -0.57 0.00 0.00 179.45 179.52 2yus h VAL 43 N 0.02 0.07 -0.68 0.50 2.07 0.18 0.68 116.25 119.09 2yus h VAL 43 Ca -0.26 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.41 2yus h VAL 43 Cb 2.04 0.07 -0.12 0.00 -1.52 0.00 0.00 31.29 31.76 2yus h VAL 43 CO 0.22 0.00 -0.03 0.77 0.02 0.00 0.00 177.57 178.55 2yus h SER 44 N -0.24 -0.37 0.12 0.57 4.64 -1.58 -0.99 113.55 115.69 2yus h SER 44 Ca 0.16 0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.66 2yus h SER 44 Cb 0.56 0.33 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2yus h SER 44 CO -0.69 -0.16 -0.06 -0.33 -0.87 0.00 0.00 176.83 174.72 2yus h GLU 45 N 0.09 -0.16 -0.76 4.77 4.39 -1.10 -2.51 114.58 119.30 2yus h GLU 45 Ca 0.36 0.01 0.12 0.00 0.34 0.00 0.00 59.36 60.19 2yus h GLU 45 Cb 0.59 0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 29.15 2yus h GLU 45 CO -0.61 -0.10 -0.39 1.25 -1.16 0.00 0.00 179.01 177.99 2yus h HIS 46 N -0.16 -1.12 0.42 4.33 2.76 0.37 -2.19 115.15 119.56 2yus h HIS 46 Ca -0.02 0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 2yus h HIS 46 Cb 0.13 0.60 -0.01 0.00 1.55 0.00 0.00 27.41 29.68 2yus h HIS 46 CO -0.07 -0.40 -0.33 0.28 -1.30 0.00 0.00 177.93 176.11 2yus h VAL 47 N -0.11 0.00 0.00 5.26 2.07 -1.30 -3.48 116.25 118.69 2yus h VAL 47 Ca 0.26 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.78 2yus h VAL 47 Cb 0.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2yus h VAL 47 CO -0.81 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.39 2yus n GLY 48 N -1.39 2.20 2.38 2.17 0.00 -0.82 -4.86 105.19 104.86 2yus n GLY 48 Ca -0.09 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 2yus n GLY 48 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yus n SER 49 N 0.00 7.29 -3.79 1.61 2.88 -1.26 -4.90 113.62 115.45 2yus n SER 49 Ca 0.00 -3.79 -0.13 0.00 -1.33 0.00 0.00 58.87 53.62 2yus n SER 49 Cb 0.00 -0.90 -0.12 0.00 -0.75 0.00 0.00 64.21 62.43 2yus n SER 49 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2yus s ARG 50 N -3.83 0.23 0.45 -1.46 1.81 -1.26 -5.13 118.95 109.76 2yus s ARG 50 Ca 0.61 0.32 0.01 0.00 -1.72 0.00 0.00 55.73 54.95 2yus s ARG 50 Cb 0.49 0.07 0.00 0.00 -0.45 0.00 0.00 34.95 35.06 2yus s ARG 50 CO -0.07 -0.05 0.67 0.95 -0.68 0.00 0.00 175.30 176.12 2yus s THR 51 N 0.31 3.84 0.05 0.02 -4.23 -1.26 -4.43 115.64 109.94 2yus s THR 51 Ca -0.02 -0.56 -0.11 0.00 -1.18 0.00 0.00 61.69 59.82 2yus s THR 51 Cb -0.03 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.36 2yus s THR 51 CO -0.01 -0.28 1.19 1.56 -0.54 0.00 0.00 174.62 176.54 2yus h GLN 52 N 0.40 -0.09 -0.32 3.99 7.50 -1.91 -0.48 115.11 124.19 2yus h GLN 52 Ca -0.46 0.01 0.04 0.00 0.50 0.00 0.00 58.65 58.74 2yus h GLN 52 Cb 1.26 0.02 -0.06 0.00 0.05 0.00 0.00 27.48 28.75 2yus h GLN 52 CO 0.56 -0.06 -0.37 -0.44 -1.50 0.00 0.00 178.83 177.02 2yus h ASP 53 N -0.10 -1.25 -0.99 1.46 5.19 -1.96 -0.52 116.42 118.25 2yus h ASP 53 Ca 0.03 0.17 0.18 0.00 -0.62 0.00 0.00 57.03 56.79 2yus h ASP 53 Cb 0.19 0.52 -0.18 0.00 0.18 0.00 0.00 39.33 40.04 2yus h ASP 53 CO -0.24 -0.25 -0.30 -0.62 -3.12 0.00 0.00 179.24 174.71 2yus n GLU 54 N -4.44 -0.14 -0.02 3.56 -0.58 -0.96 0.20 120.64 118.25 2yus n GLU 54 Ca -0.02 1.54 -0.09 0.00 -0.42 0.00 0.00 57.16 58.17 2yus n GLU 54 Cb 0.21 -2.29 -0.04 0.00 -0.57 0.00 0.00 31.44 28.76 2yus n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yus h ILE 56 N 0.01 0.74 0.17 0.00 2.04 0.12 -2.27 117.51 118.33 2yus h ILE 56 Ca 0.08 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2yus h ILE 56 Cb 0.11 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2yus h ILE 56 CO -0.16 0.05 -0.09 -0.07 0.00 0.00 0.00 178.15 177.88 2yus h LEU 57 N 0.30 -0.23 -0.99 1.44 3.38 -0.65 -2.11 115.31 116.44 2yus h LEU 57 Ca 0.27 0.01 0.38 0.00 0.09 0.00 0.00 57.88 58.63 2yus h LEU 57 Cb 0.35 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.02 2yus h LEU 57 CO -0.32 -0.15 0.58 1.57 0.09 0.00 0.00 178.44 180.21 2yus n HIS 58 N -2.73 0.84 -0.07 1.13 -0.00 -0.67 0.19 115.22 113.90 2yus n HIS 58 Ca -0.03 0.85 -0.11 0.00 0.46 0.00 0.00 57.72 58.88 2yus n HIS 58 Cb 0.10 -1.26 -0.05 0.00 -0.12 0.00 0.00 29.99 28.66 2yus n HIS 58 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 2yus h PHE 59 N 0.00 0.41 -1.00 1.57 3.57 -1.10 -2.97 116.94 117.41 2yus h PHE 59 Ca 0.74 -0.07 0.27 0.00 3.53 0.00 0.00 57.97 62.44 2yus h PHE 59 Cb 2.13 -0.11 -0.13 0.00 2.79 0.00 0.00 35.95 40.63 2yus h PHE 59 CO -0.01 0.56 0.58 -0.07 -2.23 0.00 0.00 178.31 177.14 2yus h LEU 60 N 0.14 0.61 -0.24 0.59 3.38 0.27 0.12 115.31 120.18 2yus h LEU 60 Ca 0.06 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2yus h LEU 60 Cb 0.40 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2yus h LEU 60 CO 0.01 0.02 0.12 0.03 0.09 0.00 0.00 178.44 178.71 2yus h ARG 61 N 0.49 0.34 -4.73 1.13 -0.00 -1.35 -3.45 114.38 106.80 2yus h ARG 61 Ca 0.67 -0.04 -0.46 0.00 -0.50 0.00 0.00 59.98 59.65 2yus h ARG 61 Cb 1.38 -0.06 0.16 0.00 0.00 0.00 0.00 29.97 31.44 2yus h ARG 61 CO -0.52 0.33 -1.12 1.28 0.00 0.00 0.00 179.97 179.93 2yus n LEU 62 N -4.85 -3.60 0.00 3.04 4.77 0.43 -4.95 117.00 111.85 2yus n LEU 62 Ca -0.03 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2yus n LEU 62 Cb 0.09 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 2yus n LEU 62 CO 0.35 -4.15 0.00 -0.81 -1.33 0.00 0.00 177.39 171.44 2yus n PRO 63 N 1.48 -0.06 -2.76 3.23 -0.04 -1.26 -4.97 135.00 130.61 2yus n PRO 63 Ca 0.03 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.08 2yus n PRO 63 Cb 0.40 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.82 2yus n PRO 63 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2yus s ILE 64 N -0.53 4.88 0.31 0.52 1.09 -1.26 -5.05 121.20 121.16 2yus s ILE 64 Ca 0.00 1.97 0.02 0.00 -1.10 0.00 0.00 60.65 61.54 2yus s ILE 64 Cb 0.00 -4.28 0.02 0.00 -1.06 0.00 0.00 42.46 37.14 2yus s ILE 64 CO 0.00 0.18 0.20 -0.62 -0.10 0.00 0.00 174.94 174.60 2yus n GLU 65 N 3.83 1.07 -1.25 2.79 -0.58 -1.26 -5.07 120.64 120.17 2yus n GLU 65 Ca 0.05 -1.97 -0.41 0.00 -0.42 0.00 0.00 57.16 54.40 2yus n GLU 65 Cb 0.51 0.26 -0.01 0.00 -0.57 0.00 0.00 31.44 31.63 2yus n GLU 65 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2yus n ASP 66 N -1.80 -2.07 0.19 1.62 -0.08 -1.26 -4.83 116.55 108.32 2yus n ASP 66 Ca -0.03 0.88 0.05 0.00 -1.51 0.00 0.00 54.79 54.18 2yus n ASP 66 Cb 0.36 -0.85 0.39 0.00 2.34 0.00 0.00 41.12 43.36 2yus n ASP 66 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2yus h PRO 67 N 0.56 0.00 -3.03 -0.67 0.13 -2.04 -3.32 132.00 123.63 2yus h PRO 67 Ca -0.31 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 64.04 2yus h PRO 67 Cb 1.35 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.27 2yus h PRO 67 CO 0.48 0.36 1.59 0.66 -0.23 0.00 0.00 178.00 180.85 2yus n TYR 68 N -3.73 2.62 -0.87 1.56 4.02 -1.26 -4.57 117.16 114.93 2yus n TYR 68 Ca -0.01 -2.69 0.08 0.00 -0.01 0.00 0.00 57.90 55.27 2yus n TYR 68 Cb 0.45 -1.62 0.17 0.00 -0.02 0.00 0.00 39.34 38.32 2yus n TYR 68 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 176.86 177.32 2yus n LEU 69 N 2.26 2.95 -4.29 7.72 -0.00 -1.25 -5.02 117.00 119.37 2yus n LEU 69 Ca 0.40 -2.87 -0.16 0.00 -0.00 0.00 0.00 56.01 53.38 2yus n LEU 69 Cb 0.32 -0.42 -0.10 0.00 -0.00 0.00 0.00 43.42 43.22 2yus n LEU 69 CO 0.74 0.68 -0.35 -1.83 -0.00 0.00 0.00 177.39 176.63 2yus s GLU 70 N -2.53 1.23 -0.11 1.47 -1.05 -1.26 -5.10 118.70 111.35 2yus s GLU 70 Ca 0.32 -1.59 -0.11 0.00 -0.15 0.00 0.00 54.97 53.43 2yus s GLU 70 Cb 0.26 -0.55 -0.04 0.00 -0.44 0.00 0.00 34.13 33.36 2yus s GLU 70 CO 0.06 -0.06 -0.22 0.09 0.95 0.00 0.00 175.26 176.08 2yus n ASN 71 N -0.33 1.26 -3.58 0.83 3.02 -1.26 -5.11 115.26 110.09 2yus n ASN 71 Ca -0.07 0.21 -0.09 0.00 -0.03 0.00 0.00 54.58 54.61 2yus n ASN 71 Cb 0.63 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 2yus n ASN 71 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2yus s SER 72 N -5.28 -0.40 0.17 6.41 0.01 -1.26 -5.16 113.70 108.18 2yus s SER 72 Ca -0.18 -0.19 -0.21 0.00 1.31 0.00 0.00 55.95 56.68 2yus s SER 72 Cb 0.03 0.56 -0.08 0.00 0.21 0.00 0.00 66.02 66.74 2yus s SER 72 CO 0.27 -0.96 0.69 -0.62 0.41 0.00 0.00 173.24 173.03 2yus s ASP 73 N -2.75 7.14 -0.16 2.44 -1.08 -1.26 -4.97 116.67 116.02 2yus s ASP 73 Ca 0.06 1.42 0.16 0.00 -0.52 0.00 0.00 52.55 53.67 2yus s ASP 73 Cb -0.02 -2.42 0.55 0.00 -1.46 0.00 0.00 42.92 39.57 2yus s ASP 73 CO -0.06 0.14 1.46 -1.54 0.52 0.00 0.00 175.17 175.69 2yus n SER 74 N 1.19 4.06 0.00 -0.34 3.41 -1.26 -4.93 113.62 115.75 2yus n SER 74 Ca -0.05 -2.87 0.00 0.00 -0.26 0.00 0.00 58.87 55.69 2yus n SER 74 Cb 0.50 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2yus n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yus n GLY 75 N -0.17 1.10 0.00 5.00 0.00 -1.26 -4.99 105.19 104.87 2yus n GLY 75 Ca 0.21 -0.58 0.07 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 0.28 -3.53 1.61 -0.04 -1.26 -4.50 135.00 127.56 2yus n PRO 76 Ca 0.00 0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 2yus n PRO 76 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.42 5.86 -0.52 3.54 0.15 -1.26 -5.02 113.70 114.03 2yus s SER 77 Ca 0.16 -1.23 -0.35 0.00 0.70 0.00 0.00 55.95 55.23 2yus s SER 77 Cb 0.10 -2.07 -0.15 0.00 -1.71 0.00 0.00 66.02 62.19 2yus s SER 77 CO 0.21 -0.51 2.30 -0.24 1.20 0.00 0.00 173.24 176.20 2yus n SER 78 N 5.05 1.49 0.00 5.45 2.88 -1.26 -5.21 113.62 122.01 2yus n SER 78 Ca -0.11 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2yus n SER 78 Cb 0.44 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 2yus n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42