#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cuq s SER 2 N 0.00 2.80 -0.06 1.61 0.15 -1.26 -5.12 113.70 111.83 2cuq s SER 2 Ca 0.00 -0.87 0.02 0.00 0.70 0.00 0.00 55.95 55.80 2cuq s SER 2 Cb 0.00 -0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.02 2cuq s SER 2 CO 0.00 -0.38 -0.08 -0.55 1.20 0.00 0.00 173.24 173.43 2cuq s SER 3 N 2.10 1.36 0.00 5.45 0.15 -1.26 -5.06 113.70 116.45 2cuq s SER 3 Ca 0.04 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2cuq s SER 3 Cb -0.16 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.52 2cuq s SER 3 CO -0.19 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2cuq n GLY 4 N 3.98 1.06 3.06 9.45 0.00 -1.26 -5.16 105.19 116.32 2cuq n GLY 4 Ca -0.23 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 2cuq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cuq s SER 5 N 0.00 -0.21 -0.07 1.61 1.04 -1.26 -5.06 113.70 109.76 2cuq s SER 5 Ca 0.00 0.56 -0.15 0.00 0.48 0.00 0.00 55.95 56.83 2cuq s SER 5 Cb 0.00 1.40 -0.11 0.00 0.10 0.00 0.00 66.02 67.41 2cuq s SER 5 CO 0.00 -0.27 0.59 0.28 0.98 0.00 0.00 173.24 174.81 2cuq h SER 6 N 8.14 -0.19 0.00 7.02 0.02 -2.08 -3.50 113.55 122.97 2cuq h SER 6 Ca -0.19 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2cuq h SER 6 Cb 1.14 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2cuq h SER 6 CO 0.23 0.38 0.00 0.61 -1.14 0.00 0.00 176.83 176.91 2cuq n GLY 7 N 0.95 3.70 3.62 -3.77 0.00 -1.26 -5.05 105.19 103.37 2cuq n GLY 7 Ca -0.06 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 2cuq n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cuq s PRO 8 N -4.83 3.62 -0.14 1.61 0.04 -1.26 -5.00 135.00 129.04 2cuq s PRO 8 Ca 0.00 1.50 -0.05 0.00 0.04 0.00 0.00 61.00 62.49 2cuq s PRO 8 Cb 0.00 -4.08 -0.03 0.00 0.04 0.00 0.00 34.50 30.42 2cuq s PRO 8 CO 0.00 -1.51 0.02 0.00 0.04 0.00 0.00 177.00 175.55 2cuq s TYR 10 N -0.06 0.20 0.22 0.00 1.13 -1.26 -5.19 117.35 112.39 2cuq s TYR 10 Ca 0.04 -0.70 0.01 0.00 -1.41 0.00 0.00 57.07 55.01 2cuq s TYR 10 Cb -0.13 0.57 -0.05 0.00 -1.10 0.00 0.00 41.96 41.25 2cuq s TYR 10 CO 0.02 -1.32 0.07 -1.21 -2.51 0.00 0.00 175.55 170.59 2cuq s GLU 11 N -3.16 1.29 -0.13 -3.49 2.02 -1.26 -5.10 118.70 108.87 2cuq s GLU 11 Ca 0.17 -1.67 -0.09 0.00 0.02 0.00 0.00 54.97 53.41 2cuq s GLU 11 Cb -0.04 -0.21 -0.03 0.00 0.10 0.00 0.00 34.13 33.95 2cuq s GLU 11 CO 0.11 -0.25 -0.17 0.09 0.02 0.00 0.00 175.26 175.06 2cuq n ASN 12 N -0.37 1.63 -4.62 -0.19 3.02 -1.26 -4.92 115.26 108.55 2cuq n ASN 12 Ca -0.02 0.58 -0.48 0.00 -0.03 0.00 0.00 54.58 54.63 2cuq n ASN 12 Cb 0.65 -0.83 -0.04 0.00 -0.61 0.00 0.00 39.78 38.96 2cuq n ASN 12 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2cuq n LYS 13 N -4.37 1.52 -3.76 3.52 5.02 -1.26 -4.98 118.16 113.86 2cuq n LYS 13 Ca -0.07 0.54 -0.13 0.00 -2.02 0.00 0.00 58.31 56.64 2cuq n LYS 13 Cb 0.25 -2.13 -0.10 0.00 -0.02 0.00 0.00 35.03 33.03 2cuq n LYS 13 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2cuq s PHE 14 N 0.04 -0.36 0.11 2.13 -0.71 -1.26 -5.17 117.98 112.76 2cuq s PHE 14 Ca 0.74 0.85 -0.14 0.00 -1.04 0.00 0.00 56.93 57.34 2cuq s PHE 14 Cb -0.79 0.13 0.02 0.00 -1.21 0.00 0.00 43.02 41.17 2cuq s PHE 14 CO 0.49 -0.21 0.33 0.00 -1.34 0.00 0.00 175.22 174.50 2cuq s ALA 15 N -0.00 -0.71 1.12 1.99 0.00 -1.26 -5.17 121.76 117.72 2cuq s ALA 15 Ca -0.02 -0.21 -0.16 0.00 0.00 0.00 0.00 51.96 51.57 2cuq s ALA 15 Cb -0.03 0.61 0.25 0.00 0.00 0.00 0.00 23.12 23.95 2cuq s ALA 15 CO 0.01 -0.59 1.10 -1.25 0.00 0.00 0.00 175.76 175.03 2cuq s PRO 16 N -3.74 -0.58 -0.09 0.00 0.04 -1.26 -4.88 135.00 124.48 2cuq s PRO 16 Ca 0.03 0.16 -0.09 0.00 0.04 0.00 0.00 61.00 61.15 2cuq s PRO 16 Cb 0.03 -1.65 0.02 0.00 0.04 0.00 0.00 34.50 32.94 2cuq s PRO 16 CO -0.11 -3.33 0.25 1.03 0.04 0.00 0.00 177.00 174.88 2cuq s ARG 17 N -5.22 0.29 -0.19 4.56 0.52 -1.26 -2.43 118.95 115.21 2cuq s ARG 17 Ca 0.69 0.35 -0.42 0.00 -0.52 0.00 0.00 55.73 55.83 2cuq s ARG 17 Cb -0.13 0.14 -0.19 0.00 0.52 0.00 0.00 34.95 35.29 2cuq s ARG 17 CO 0.57 -0.04 1.40 0.00 0.02 0.00 0.00 175.30 177.25 2cuq h ALA 19 N 4.63 1.00 0.00 0.00 0.00 -0.29 2.37 119.26 126.96 2cuq h ALA 19 Ca -0.47 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2cuq h ALA 19 Cb 1.38 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2cuq h ALA 19 CO 0.83 0.00 -0.63 -0.09 0.00 0.00 0.00 179.25 179.36 2cuq h ARG 20 N 0.00 0.00 0.06 0.00 9.65 -1.86 -3.43 114.38 118.80 2cuq h ARG 20 Ca 0.00 0.00 -0.37 0.00 -1.10 0.00 0.00 59.98 58.51 2cuq h ARG 20 Cb 0.13 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.66 2cuq h ARG 20 CO 0.00 0.19 -2.22 0.00 2.80 0.00 0.00 179.97 180.74 2cuq n SER 22 N -3.32 -2.04 0.00 0.00 2.88 0.80 -4.93 113.62 107.01 2cuq n SER 22 Ca -0.37 -0.27 0.00 0.00 -1.33 0.00 0.00 58.87 56.90 2cuq n SER 22 Cb 1.03 -2.50 0.00 0.00 -0.75 0.00 0.00 64.21 61.99 2cuq n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2cuq n LYS 23 N -2.35 0.00 -3.55 -1.46 4.76 -1.26 -4.75 118.16 109.54 2cuq n LYS 23 Ca -0.12 0.05 -0.08 0.00 -2.87 0.00 0.00 58.31 55.29 2cuq n LYS 23 Cb 0.57 -0.36 -0.03 0.00 -1.84 0.00 0.00 35.03 33.37 2cuq n LYS 23 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2cuq s THR 24 N -0.50 0.00 -0.22 -0.18 -4.23 -1.26 -4.84 115.64 104.41 2cuq s THR 24 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.48 2cuq s THR 24 Cb 0.00 -1.00 0.11 0.00 1.34 0.00 0.00 72.50 72.95 2cuq s THR 24 CO 0.00 0.00 0.27 -0.76 -0.54 0.00 0.00 174.62 173.59 2cuq s LEU 25 N -1.88 -0.25 0.00 4.79 1.43 -1.02 -4.51 118.68 117.25 2cuq s LEU 25 Ca 0.04 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2cuq s LEU 25 Cb -0.01 0.58 0.00 0.00 0.03 0.00 0.00 46.19 46.79 2cuq s LEU 25 CO -0.04 -0.32 0.00 0.35 0.23 0.00 0.00 176.35 176.56 2cuq n THR 26 N 5.33 0.00 -2.94 5.49 -2.24 -1.26 -4.40 114.28 114.26 2cuq n THR 26 Ca -0.05 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 2cuq n THR 26 Cb 0.49 -0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 2cuq n THR 26 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2cuq s GLN 27 N -1.29 3.44 0.00 -0.78 -0.21 -1.26 -4.78 119.66 114.77 2cuq s GLN 27 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 55.36 55.33 2cuq s GLN 27 Cb 0.00 -3.93 0.00 0.00 1.00 0.00 0.00 33.01 30.08 2cuq s GLN 27 CO 0.00 -1.13 0.00 0.41 -2.12 0.00 0.00 175.29 172.45 2cuq n GLY 28 N 4.96 0.27 1.27 3.09 0.00 -1.26 -4.88 105.19 108.64 2cuq n GLY 28 Ca 0.03 0.68 0.14 0.00 0.00 0.00 0.00 46.02 46.87 2cuq n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cuq n GLY 29 N 0.00 -2.49 3.29 -0.02 0.00 -1.26 -5.03 105.19 99.68 2cuq n GLY 29 Ca 0.00 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 2cuq n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cuq s VAL 30 N -4.08 0.09 -0.03 1.61 -7.23 -1.05 -4.90 120.40 104.81 2cuq s VAL 30 Ca 0.00 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2cuq s VAL 30 Cb 0.00 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.48 2cuq s VAL 30 CO 0.00 0.00 0.02 0.28 -0.31 0.00 0.00 175.10 175.09 2cuq s THR 31 N -3.61 0.03 -0.16 5.32 -1.32 -1.26 -0.20 115.64 114.45 2cuq s THR 31 Ca 0.38 0.19 0.01 0.00 -1.21 0.00 0.00 61.69 61.07 2cuq s THR 31 Cb 0.04 -0.16 0.02 0.00 -1.51 0.00 0.00 72.50 70.88 2cuq s THR 31 CO 0.22 0.12 -0.19 -0.47 -2.21 0.00 0.00 174.62 172.08 2cuq s TYR 32 N 1.17 2.58 -1.02 9.09 5.04 0.35 -4.75 117.35 129.81 2cuq s TYR 32 Ca -0.08 -1.42 -0.02 0.00 -2.44 0.00 0.00 57.07 53.11 2cuq s TYR 32 Cb -0.13 -1.79 -0.02 0.00 0.35 0.00 0.00 41.96 40.36 2cuq s TYR 32 CO -0.03 -0.69 0.87 0.54 -1.34 0.00 0.00 175.55 174.90 2cuq n ARG 33 N 4.42 -4.47 -3.63 4.97 1.74 -1.26 -2.60 116.66 115.83 2cuq n ARG 33 Ca -0.20 0.77 -0.27 0.00 -0.77 0.00 0.00 57.85 57.38 2cuq n ARG 33 Cb 0.51 -5.46 0.02 0.00 -1.02 0.00 0.00 32.46 26.51 2cuq n ARG 33 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2cuq n ASP 34 N -2.96 -4.85 -3.76 0.55 8.00 -1.26 -4.96 116.55 107.31 2cuq n ASP 34 Ca -0.19 -0.60 -0.13 0.00 0.71 0.00 0.00 54.79 54.59 2cuq n ASP 34 Cb 0.64 -3.90 -0.10 0.00 -0.02 0.00 0.00 41.12 37.73 2cuq n ASP 34 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2cuq s GLN 35 N -6.32 0.45 0.08 -1.24 -0.21 -1.07 -5.14 119.66 106.21 2cuq s GLN 35 Ca 0.54 0.27 -0.31 0.00 0.02 0.00 0.00 55.36 55.89 2cuq s GLN 35 Cb -0.27 0.21 -0.07 0.00 1.00 0.00 0.00 33.01 33.88 2cuq s GLN 35 CO 0.67 -0.08 1.39 -1.25 -2.12 0.00 0.00 175.29 173.90 2cuq s PRO 36 N -0.24 4.31 0.10 2.91 0.04 -1.26 0.13 135.00 140.99 2cuq s PRO 36 Ca -0.04 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.08 2cuq s PRO 36 Cb -0.03 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 2cuq s PRO 36 CO 0.01 -0.47 -0.11 -1.58 0.04 0.00 0.00 177.00 174.89 2cuq s TRP 37 N 1.50 1.14 -0.26 0.56 0.52 0.73 0.52 118.94 123.64 2cuq s TRP 37 Ca 0.64 -0.60 -0.29 0.00 0.02 0.00 0.00 56.10 55.87 2cuq s TRP 37 Cb -0.35 -0.62 0.01 0.00 -1.15 0.00 0.00 33.47 31.36 2cuq s TRP 37 CO 0.29 0.04 1.08 -1.01 0.02 0.00 0.00 176.95 177.37 2cuq s HIS 38 N -2.18 3.20 0.50 -1.98 3.76 -1.26 -2.54 115.29 114.79 2cuq s HIS 38 Ca 0.05 1.30 0.42 0.00 -0.15 0.00 0.00 55.06 56.68 2cuq s HIS 38 Cb -0.05 -3.48 1.63 0.00 1.11 0.00 0.00 32.58 31.79 2cuq s HIS 38 CO 0.01 -0.74 1.57 0.54 -0.85 0.00 0.00 174.74 175.26 2cuq n ARG 39 N 6.60 -0.02 0.03 1.40 1.74 -1.26 0.11 116.66 125.26 2cuq n ARG 39 Ca 0.12 1.17 -0.20 0.00 -0.77 0.00 0.00 57.85 58.17 2cuq n ARG 39 Cb 0.46 -2.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.26 2cuq n ARG 39 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 2cuq h GLU 40 N 0.00 0.27 0.15 5.56 4.11 -2.02 -3.37 114.58 119.28 2cuq h GLU 40 Ca 0.92 -0.45 -0.01 0.00 0.07 0.00 0.00 59.36 59.89 2cuq h GLU 40 Cb 3.36 0.17 0.00 0.00 0.50 0.00 0.00 28.75 32.78 2cuq h GLU 40 CO -0.22 1.22 -0.07 0.00 0.07 0.00 0.00 179.01 180.00 2cuq n LEU 42 N -5.13 1.00 -3.81 0.00 7.94 0.92 -4.85 117.00 113.07 2cuq n LEU 42 Ca -0.09 -0.50 -0.10 0.00 -1.11 0.00 0.00 56.01 54.21 2cuq n LEU 42 Cb 0.14 -1.23 -0.07 0.00 0.53 0.00 0.00 43.42 42.79 2cuq n LEU 42 CO 0.34 -1.50 -0.04 0.68 -1.11 0.00 0.00 177.39 175.75 2cuq s VAL 43 N 9.81 0.11 0.60 1.96 -7.23 -1.26 -3.30 120.40 121.09 2cuq s VAL 43 Ca 1.14 -0.89 -0.18 0.00 -1.81 0.00 0.00 61.98 60.24 2cuq s VAL 43 Cb -0.60 -1.06 -0.07 0.00 0.56 0.00 0.00 36.38 35.20 2cuq s VAL 43 CO 0.35 -0.49 0.58 0.00 -0.31 0.00 0.00 175.10 175.23 2cuq n THR 45 N -1.82 1.84 0.07 0.00 -1.04 -0.77 -3.03 114.28 109.52 2cuq n THR 45 Ca 0.12 -0.96 0.00 0.00 -2.04 0.00 0.00 64.05 61.17 2cuq n THR 45 Cb 0.48 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 2cuq n THR 45 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2cuq n GLY 46 N 0.51 -0.14 0.02 3.41 0.00 -1.26 -4.89 105.19 102.84 2cuq n GLY 46 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 2cuq n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cuq n GLN 48 N -2.01 -2.66 -4.54 0.00 1.13 -1.17 -4.97 117.38 103.16 2cuq n GLN 48 Ca 0.00 0.52 -0.34 0.00 -1.94 0.00 0.00 57.00 55.24 2cuq n GLN 48 Cb 0.47 -4.31 -0.11 0.00 0.11 0.00 0.00 30.24 26.40 2cuq n GLN 48 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2cuq s THR 49 N -3.22 3.82 -0.47 5.09 -1.32 -1.26 -4.72 115.64 113.55 2cuq s THR 49 Ca 0.14 -0.49 -0.28 0.00 -1.21 0.00 0.00 61.69 59.85 2cuq s THR 49 Cb -0.02 -2.59 -0.02 0.00 -1.51 0.00 0.00 72.50 68.37 2cuq s THR 49 CO 0.44 0.56 1.77 -2.16 -2.21 0.00 0.00 174.62 173.02 2cuq s PRO 50 N -0.95 3.05 -0.03 7.08 0.04 -1.26 -0.84 135.00 142.08 2cuq s PRO 50 Ca 0.14 0.99 0.04 0.00 0.04 0.00 0.00 61.00 62.21 2cuq s PRO 50 Cb -0.11 -4.26 0.18 0.00 0.04 0.00 0.00 34.50 30.34 2cuq s PRO 50 CO 0.03 -2.21 0.95 1.28 0.04 0.00 0.00 177.00 177.08 2cuq n LEU 51 N 11.20 1.58 -4.52 -3.56 4.77 -1.21 -4.86 117.00 120.41 2cuq n LEU 51 Ca 0.21 -0.79 -0.35 0.00 -0.03 0.00 0.00 56.01 55.04 2cuq n LEU 51 Cb 0.49 -0.35 -0.11 0.00 -2.33 0.00 0.00 43.42 41.12 2cuq n LEU 51 CO 0.70 0.29 2.08 0.00 -1.33 0.00 0.00 177.39 179.13 2cuq n ALA 52 N 0.08 0.54 -2.98 -1.18 0.00 -1.26 0.14 120.51 115.86 2cuq n ALA 52 Ca 0.06 -0.64 -0.16 0.00 0.00 0.00 0.00 53.44 52.71 2cuq n ALA 52 Cb 0.33 -2.66 0.04 0.00 0.00 0.00 0.00 19.45 17.15 2cuq n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cuq n GLY 53 N 6.25 -0.10 3.45 0.00 0.00 -1.26 -5.02 105.19 108.51 2cuq n GLY 53 Ca 0.55 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 2cuq n GLY 53 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cuq s GLN 54 N -5.57 1.63 -0.43 1.61 0.74 0.12 -5.09 119.66 112.67 2cuq s GLN 54 Ca 0.29 -1.43 -0.29 0.00 0.05 0.00 0.00 55.36 53.99 2cuq s GLN 54 Cb -0.13 -1.94 0.01 0.00 1.10 0.00 0.00 33.01 32.06 2cuq s GLN 54 CO 0.36 0.42 1.39 -1.14 -0.55 0.00 0.00 175.29 175.77 2cuq s GLN 55 N -2.58 3.55 0.35 1.67 0.74 -1.26 -4.96 119.66 117.17 2cuq s GLN 55 Ca 0.20 0.85 -0.01 0.00 0.05 0.00 0.00 55.36 56.46 2cuq s GLN 55 Cb -0.09 -4.03 0.00 0.00 1.10 0.00 0.00 33.01 30.00 2cuq s GLN 55 CO 0.10 -1.60 0.46 1.97 -0.55 0.00 0.00 175.29 175.68 2cuq n PHE 56 N 8.84 -1.37 -4.11 1.67 1.16 -1.26 -4.36 117.46 118.04 2cuq n PHE 56 Ca 0.16 -2.41 -0.10 0.00 -1.87 0.00 0.00 57.45 53.23 2cuq n PHE 56 Cb 0.48 0.52 -0.10 0.00 -1.61 0.00 0.00 39.48 38.77 2cuq n PHE 56 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 2cuq s THR 57 N -2.88 0.51 0.06 1.97 -1.32 -0.61 -4.96 115.64 108.41 2cuq s THR 57 Ca 0.30 -1.63 0.06 0.00 -1.21 0.00 0.00 61.69 59.21 2cuq s THR 57 Cb -0.01 -1.29 -0.04 0.00 -1.51 0.00 0.00 72.50 69.66 2cuq s THR 57 CO 0.22 -0.76 -0.10 -0.94 -2.21 0.00 0.00 174.62 170.83 2cuq s SER 58 N -2.56 4.40 -0.02 8.08 1.04 -1.26 0.17 113.70 123.56 2cuq s SER 58 Ca 0.04 -0.30 -0.00 0.00 0.48 0.00 0.00 55.95 56.16 2cuq s SER 58 Cb 0.01 -0.90 0.02 0.00 0.10 0.00 0.00 66.02 65.26 2cuq s SER 58 CO -0.04 0.23 0.03 -0.60 0.98 0.00 0.00 173.24 173.84 2cuq s ARG 59 N -1.82 -0.02 -1.59 4.02 6.06 0.71 -4.86 118.95 121.46 2cuq s ARG 59 Ca 0.19 0.16 -0.14 0.00 -2.50 0.00 0.00 55.73 53.44 2cuq s ARG 59 Cb -0.11 -0.18 0.11 0.00 0.06 0.00 0.00 34.95 34.82 2cuq s ARG 59 CO 0.10 -0.13 0.84 -0.25 -2.50 0.00 0.00 175.30 173.36 2cuq n ASP 60 N 3.92 -3.58 -2.81 -2.12 8.00 -1.26 -1.08 116.55 117.63 2cuq n ASP 60 Ca -0.24 -0.90 -0.14 0.00 0.71 0.00 0.00 54.79 54.21 2cuq n ASP 60 Cb 0.53 -3.32 0.06 0.00 -0.02 0.00 0.00 41.12 38.37 2cuq n ASP 60 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2cuq n GLU 61 N -4.51 -5.22 -3.66 -1.24 1.02 -1.26 -5.03 120.64 100.74 2cuq n GLU 61 Ca 0.01 0.63 -0.08 0.00 -0.02 0.00 0.00 57.16 57.69 2cuq n GLU 61 Cb 0.53 -5.01 -0.09 0.00 -0.02 0.00 0.00 31.44 26.85 2cuq n GLU 61 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2cuq s ASP 62 N -3.80 -0.35 -0.23 1.62 1.01 -0.24 -5.13 116.67 109.56 2cuq s ASP 62 Ca 0.12 1.02 -0.29 0.00 0.71 0.00 0.00 52.55 54.11 2cuq s ASP 62 Cb -0.05 1.30 -0.02 0.00 1.01 0.00 0.00 42.92 45.16 2cuq s ASP 62 CO 0.54 -0.23 1.62 -2.16 0.21 0.00 0.00 175.17 175.15 2cuq s PRO 63 N 2.42 3.77 -0.07 8.23 0.04 -1.26 -0.21 135.00 147.92 2cuq s PRO 63 Ca -0.03 1.64 0.04 0.00 0.04 0.00 0.00 61.00 62.68 2cuq s PRO 63 Cb -0.11 -4.04 -0.00 0.00 0.04 0.00 0.00 34.50 30.39 2cuq s PRO 63 CO -0.13 -1.32 -0.21 0.71 0.04 0.00 0.00 177.00 176.09 2cuq s TYR 64 N 5.26 2.15 0.51 0.56 2.02 0.13 -1.85 117.35 126.12 2cuq s TYR 64 Ca 0.71 -0.77 -0.19 0.00 -0.37 0.00 0.00 57.07 56.45 2cuq s TYR 64 Cb -0.24 -1.45 -0.08 0.00 -0.40 0.00 0.00 41.96 39.79 2cuq s TYR 64 CO 0.29 -0.30 1.04 0.00 -1.57 0.00 0.00 175.55 175.02 2cuq h VAL 66 N 1.35 0.36 -0.72 0.00 2.07 -1.91 0.71 116.25 118.12 2cuq h VAL 66 Ca -0.49 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2cuq h VAL 66 Cb 1.22 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2cuq h VAL 66 CO 0.59 0.04 0.31 0.00 0.02 0.00 0.00 177.57 178.53 2cuq h ALA 67 N 1.55 1.20 0.07 1.67 0.00 -1.94 -2.49 119.26 119.33 2cuq h ALA 67 Ca 0.67 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 55.22 2cuq h ALA 67 Cb 2.04 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 2cuq h ALA 67 CO -0.27 0.59 -0.98 0.00 0.00 0.00 0.00 179.25 178.60 2cuq h PHE 69 N -0.59 -1.09 -0.26 0.00 3.57 -0.48 0.63 116.94 118.71 2cuq h PHE 69 Ca -0.22 0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.29 2cuq h PHE 69 Cb 1.49 0.56 -0.04 0.00 2.79 0.00 0.00 35.95 40.75 2cuq h PHE 69 CO 0.17 -0.40 0.08 0.41 -2.23 0.00 0.00 178.31 176.33 2cuq n GLY 70 N -1.42 2.33 0.00 2.40 0.00 -0.94 -3.01 105.19 104.55 2cuq n GLY 70 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2cuq n GLY 70 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2cuq n GLU 71 N 0.12 1.87 -0.09 1.61 2.13 0.17 -3.92 120.64 122.52 2cuq n GLU 71 Ca 0.14 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.83 2cuq n GLU 71 Cb 0.71 -0.84 -0.05 0.00 0.27 0.00 0.00 31.44 31.52 2cuq n GLU 71 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2cuq n LEU 72 N -1.74 1.86 -0.01 4.31 4.32 0.15 -2.96 117.00 122.94 2cuq n LEU 72 Ca 0.00 0.49 -0.17 0.00 -0.02 0.00 0.00 56.01 56.31 2cuq n LEU 72 Cb 0.34 -0.86 -0.09 0.00 -1.62 0.00 0.00 43.42 41.18 2cuq n LEU 72 CO 0.00 -0.12 0.31 -0.26 -1.22 0.00 0.00 177.39 176.09 2cuq h PHE 73 N -1.00 0.70 0.00 -1.77 0.04 -1.72 -3.34 116.94 109.85 2cuq h PHE 73 Ca -0.17 -0.34 -0.02 0.00 2.80 0.00 0.00 57.97 60.24 2cuq h PHE 73 Cb 0.93 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.99 2cuq h PHE 73 CO -0.17 1.13 -0.09 0.00 -0.60 0.00 0.00 178.31 178.59 2cuq h ALA 74 N 0.42 0.01 -5.37 2.45 0.00 -1.79 -3.48 119.26 111.49 2cuq h ALA 74 Ca -0.05 -0.43 -0.32 0.00 0.00 0.00 0.00 54.91 54.11 2cuq h ALA 74 Cb 1.25 0.01 0.15 0.00 0.00 0.00 0.00 17.79 19.19 2cuq h ALA 74 CO 0.12 -0.03 -0.68 0.43 0.00 0.00 0.00 179.25 179.08 2cuq n SER 75 N -4.63 -3.10 -4.62 0.00 7.64 -1.15 -4.88 113.62 102.87 2cuq n SER 75 Ca -0.10 -0.55 -0.43 0.00 1.01 0.00 0.00 58.87 58.81 2cuq n SER 75 Cb 0.43 -4.72 -0.03 0.00 -1.01 0.00 0.00 64.21 58.88 2cuq n SER 75 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cuq s GLY 76 N -3.99 0.95 0.32 0.23 0.00 -1.25 -4.94 107.32 98.62 2cuq s GLY 76 Ca 0.14 0.87 -0.29 0.00 0.00 0.00 0.00 44.72 45.45 2cuq s GLY 76 CO 0.67 3.53 1.22 2.56 0.00 0.00 0.00 173.10 181.09 2cuq s PRO 77 N 5.42 4.42 0.11 2.90 0.04 -1.26 -4.98 135.00 141.65 2cuq s PRO 77 Ca 0.91 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 63.68 2cuq s PRO 77 Cb -0.34 -3.07 -0.07 0.00 0.04 0.00 0.00 34.50 31.06 2cuq s PRO 77 CO 0.36 -0.07 1.24 -1.12 0.04 0.00 0.00 177.00 177.45 2cuq s SER 78 N -0.68 7.02 -0.70 6.66 0.01 -1.26 -4.93 113.70 119.82 2cuq s SER 78 Ca 0.48 2.15 -0.02 0.00 1.31 0.00 0.00 55.95 59.87 2cuq s SER 78 Cb -0.36 -2.59 0.43 0.00 0.21 0.00 0.00 66.02 63.71 2cuq s SER 78 CO 0.48 -0.48 2.01 -1.54 0.41 0.00 0.00 173.24 174.11 2cuq n SER 79 N 3.51 7.58 0.00 2.44 3.41 -1.26 -5.34 113.62 123.96 2cuq n SER 79 Ca 0.08 -3.80 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 2cuq n SER 79 Cb 0.45 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 2cuq n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49