#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 -0.68 -0.67 1.61 0.15 -1.26 -5.04 113.70 107.82 2cuq s SER 2 Ca 0.00 0.27 -0.01 0.00 0.70 0.00 0.00 55.95 56.91 2cuq s SER 2 Cb 0.00 1.51 0.43 0.00 -1.71 0.00 0.00 66.02 66.25 2cuq s SER 2 CO 0.00 -0.13 1.94 -1.54 1.20 0.00 0.00 173.24 174.72 2cuq n SER 3 N 5.36 7.38 -2.67 5.45 3.41 -1.26 -4.47 113.62 126.81 2cuq n SER 3 Ca -0.00 -3.79 -0.04 0.00 -0.26 0.00 0.00 58.87 54.77 2cuq n SER 3 Cb 0.55 -0.93 0.03 0.00 -0.26 0.00 0.00 64.21 63.60 2cuq n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cuq n GLY 4 N -0.82 -0.60 2.55 5.00 0.00 -1.26 -5.02 105.19 105.05 2cuq n GLY 4 Ca 0.59 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.68 2cuq n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cuq n SER 5 N -0.27 2.77 -4.88 1.61 2.88 -1.26 -5.09 113.62 109.39 2cuq n SER 5 Ca -0.18 -2.75 -0.33 0.00 -1.33 0.00 0.00 58.87 54.28 2cuq n SER 5 Cb 0.70 -0.44 -0.05 0.00 -0.75 0.00 0.00 64.21 63.66 2cuq n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cuq s SER 6 N -3.63 6.59 -0.48 -3.46 1.04 -1.26 -5.05 113.70 107.44 2cuq s SER 6 Ca 0.36 0.76 0.06 0.00 0.48 0.00 0.00 55.95 57.61 2cuq s SER 6 Cb 0.37 -2.16 0.22 0.00 0.10 0.00 0.00 66.02 64.55 2cuq s SER 6 CO -0.02 0.06 0.76 0.61 0.98 0.00 0.00 173.24 175.64 2cuq n GLY 7 N 0.33 0.30 3.77 7.32 0.00 -1.26 -5.14 105.19 110.51 2cuq n GLY 7 Ca -0.04 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 0.50 4.09 0.01 1.61 0.04 -1.26 -5.04 135.00 134.94 2cuq s PRO 8 Ca 0.32 1.90 -0.28 0.00 0.04 0.00 0.00 61.00 62.98 2cuq s PRO 8 Cb 0.14 -2.73 0.10 0.00 0.04 0.00 0.00 34.50 32.04 2cuq s PRO 8 CO -0.17 -0.31 0.82 0.00 0.04 0.00 0.00 177.00 177.38 2cuq s TYR 10 N -2.90 3.15 0.17 0.00 2.02 -1.26 -5.03 117.35 113.51 2cuq s TYR 10 Ca 0.02 -1.26 0.06 0.00 -0.37 0.00 0.00 57.07 55.52 2cuq s TYR 10 Cb -0.01 -4.11 -0.04 0.00 -0.40 0.00 0.00 41.96 37.41 2cuq s TYR 10 CO -0.07 -1.35 0.12 -1.21 -1.57 0.00 0.00 175.55 171.46 2cuq s GLU 11 N 2.37 2.81 0.14 -0.62 0.41 -1.26 -5.03 118.70 117.51 2cuq s GLU 11 Ca 0.21 -0.93 -0.15 0.00 -0.41 0.00 0.00 54.97 53.69 2cuq s GLU 11 Cb -0.14 -2.58 0.01 0.00 -1.78 0.00 0.00 34.13 29.63 2cuq s GLU 11 CO -0.02 0.47 1.67 -0.91 -0.49 0.00 0.00 175.26 175.98 2cuq h ASN 12 N 2.38 0.62 -2.73 -0.19 2.35 -2.05 -3.33 115.58 112.63 2cuq h ASN 12 Ca -0.48 -0.19 -0.75 0.00 -0.55 0.00 0.00 56.30 54.33 2cuq h ASN 12 Cb 1.20 -0.16 -0.21 0.00 0.05 0.00 0.00 38.32 39.20 2cuq h ASN 12 CO 0.62 0.65 0.89 -0.54 -1.65 0.00 0.00 177.43 177.40 2cuq s LYS 13 N -5.45 3.95 -1.07 0.81 1.02 -1.26 -4.96 119.74 112.78 2cuq s LYS 13 Ca -0.13 -2.53 -0.23 0.00 0.02 0.00 0.00 55.97 53.10 2cuq s LYS 13 Cb 0.11 -4.84 -0.01 0.00 -0.52 0.00 0.00 37.83 32.56 2cuq s LYS 13 CO 0.77 -1.59 1.78 -0.59 -0.92 0.00 0.00 175.35 174.79 2cuq s PHE 14 N 1.02 2.20 0.08 3.18 -0.71 -1.25 -4.91 117.98 117.59 2cuq s PHE 14 Ca 0.35 -0.19 0.01 0.00 -1.04 0.00 0.00 56.93 56.06 2cuq s PHE 14 Cb -0.06 -4.33 -0.04 0.00 -1.21 0.00 0.00 43.02 37.38 2cuq s PHE 14 CO -0.05 -1.68 -0.06 0.00 -1.34 0.00 0.00 175.22 172.09 2cuq s ALA 15 N 7.93 0.80 0.83 1.99 0.00 -1.26 -5.16 121.76 126.89 2cuq s ALA 15 Ca 0.61 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.22 2cuq s ALA 15 Cb -0.02 0.17 0.09 0.00 0.00 0.00 0.00 23.12 23.37 2cuq s ALA 15 CO 0.01 -0.24 1.09 -1.25 0.00 0.00 0.00 175.76 175.37 2cuq s PRO 16 N -3.56 1.77 -0.01 0.00 0.04 -1.26 -4.82 135.00 127.16 2cuq s PRO 16 Ca 0.08 1.00 0.03 0.00 0.04 0.00 0.00 61.00 62.15 2cuq s PRO 16 Cb 0.04 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 2cuq s PRO 16 CO -0.05 -1.93 -0.09 1.03 0.04 0.00 0.00 177.00 175.99 2cuq s ARG 17 N -4.92 0.76 -0.10 4.56 0.52 -1.26 -0.85 118.95 117.65 2cuq s ARG 17 Ca 0.62 -0.33 -0.40 0.00 -0.52 0.00 0.00 55.73 55.10 2cuq s ARG 17 Cb -0.18 -0.73 -0.18 0.00 0.52 0.00 0.00 34.95 34.38 2cuq s ARG 17 CO 0.56 0.20 1.35 0.00 0.02 0.00 0.00 175.30 177.43 2cuq n ALA 19 N 2.84 1.22 -0.10 0.00 0.00 0.24 0.24 120.51 124.95 2cuq n ALA 19 Ca 0.22 0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.67 2cuq n ALA 19 Cb 0.10 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.17 2cuq n ALA 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2cuq n ARG 20 N -2.19 0.52 -0.02 0.00 3.00 -1.26 -4.71 116.66 112.00 2cuq n ARG 20 Ca -0.00 0.40 -0.22 0.00 -0.00 0.00 0.00 57.85 58.03 2cuq n ARG 20 Cb 0.09 -1.59 -0.13 0.00 0.00 0.00 0.00 32.46 30.82 2cuq n ARG 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cuq n SER 22 N -3.67 -2.08 0.00 0.00 2.88 0.67 -4.92 113.62 106.49 2cuq n SER 22 Ca -0.32 -0.28 0.00 0.00 -1.33 0.00 0.00 58.87 56.94 2cuq n SER 22 Cb 0.98 -2.56 0.00 0.00 -0.75 0.00 0.00 64.21 61.88 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 -2.39 0.00 -3.53 -1.46 5.02 -1.26 -4.79 118.16 109.75 2cuq n LYS 23 Ca -0.13 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.09 2cuq n LYS 23 Cb 0.57 -0.35 -0.02 0.00 -0.02 0.00 0.00 35.03 35.21 2cuq n LYS 23 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2cuq s THR 24 N -0.89 0.00 -0.22 -0.18 -4.23 -1.26 -4.80 115.64 104.07 2cuq s THR 24 Ca 0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.46 2cuq s THR 24 Cb 0.00 -1.03 0.11 0.00 1.34 0.00 0.00 72.50 72.92 2cuq s THR 24 CO 0.00 0.00 0.32 -0.76 -0.54 0.00 0.00 174.62 173.64 2cuq s LEU 25 N -2.43 -0.45 0.11 4.79 1.43 -0.03 -4.33 118.68 117.79 2cuq s LEU 25 Ca 0.06 0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 53.27 2cuq s LEU 25 Cb -0.01 0.88 -0.00 0.00 0.03 0.00 0.00 46.19 47.09 2cuq s LEU 25 CO -0.08 -0.30 0.23 0.42 0.23 0.00 0.00 176.35 176.86 2cuq s THR 26 N 2.47 0.11 -1.03 5.49 -4.23 -1.26 -4.32 115.64 112.88 2cuq s THR 26 Ca 0.09 -1.21 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 2cuq s THR 26 Cb -0.15 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.21 2cuq s THR 26 CO -0.14 -0.52 0.87 0.00 -0.54 0.00 0.00 174.62 174.29 2cuq n GLN 27 N -0.12 -5.80 0.00 3.99 6.02 -1.26 -4.55 117.38 115.66 2cuq n GLN 27 Ca -0.13 0.70 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 2cuq n GLN 27 Cb 0.63 -5.28 0.00 0.00 1.02 0.00 0.00 30.24 26.61 2cuq n GLN 27 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cuq n GLY 28 N -1.30 0.47 0.00 1.08 0.00 -1.26 -5.12 105.19 99.07 2cuq n GLY 28 Ca -0.17 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.57 3.33 -0.02 0.00 -1.26 -5.07 105.19 100.61 2cuq n GLY 29 Ca 0.00 -1.55 -0.19 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.87 0.23 -0.05 1.61 -7.23 -1.11 -4.93 120.40 107.05 2cuq s VAL 30 Ca 0.00 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 2cuq s VAL 30 Cb 0.00 -2.48 0.04 0.00 0.56 0.00 0.00 36.38 34.49 2cuq s VAL 30 CO 0.00 0.00 0.09 0.28 -0.31 0.00 0.00 175.10 175.16 2cuq s THR 31 N -3.55 -0.07 -0.17 5.32 -1.32 -1.26 -0.47 115.64 114.12 2cuq s THR 31 Ca 0.36 0.23 0.01 0.00 -1.21 0.00 0.00 61.69 61.08 2cuq s THR 31 Cb 0.04 -0.17 0.02 0.00 -1.51 0.00 0.00 72.50 70.88 2cuq s THR 31 CO 0.20 0.09 -0.20 -0.47 -2.21 0.00 0.00 174.62 172.03 2cuq s TYR 32 N 1.29 2.69 -0.96 9.09 6.14 0.34 -4.74 117.35 131.20 2cuq s TYR 32 Ca -0.07 -1.53 -0.02 0.00 0.64 0.00 0.00 57.07 56.09 2cuq s TYR 32 Cb -0.12 -1.86 -0.02 0.00 0.42 0.00 0.00 41.96 40.38 2cuq s TYR 32 CO -0.05 -0.74 0.81 0.54 0.64 0.00 0.00 175.55 176.75 2cuq n ARG 33 N 4.49 -4.11 -3.59 4.97 1.74 -1.26 -2.71 116.66 116.18 2cuq n ARG 33 Ca -0.20 0.72 -0.27 0.00 -0.77 0.00 0.00 57.85 57.33 2cuq n ARG 33 Cb 0.50 -5.26 0.02 0.00 -1.02 0.00 0.00 32.46 26.71 2cuq n ARG 33 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2cuq n ASP 34 N -2.85 -4.78 -3.77 0.55 -0.08 -1.26 -4.96 116.55 99.39 2cuq n ASP 34 Ca -0.17 -0.57 -0.13 0.00 -1.51 0.00 0.00 54.79 52.41 2cuq n ASP 34 Cb 0.63 -3.86 -0.10 0.00 2.34 0.00 0.00 41.12 40.13 2cuq n ASP 34 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2cuq s GLN 35 N -6.28 0.45 0.09 -0.67 -0.21 -1.10 -5.14 119.66 106.80 2cuq s GLN 35 Ca 0.53 0.23 -0.31 0.00 0.02 0.00 0.00 55.36 55.83 2cuq s GLN 35 Cb -0.26 0.21 -0.07 0.00 1.00 0.00 0.00 33.01 33.89 2cuq s GLN 35 CO 0.65 -0.08 1.38 -1.25 -2.12 0.00 0.00 175.29 173.86 2cuq s PRO 36 N -0.31 4.32 0.08 2.91 0.04 -1.26 0.13 135.00 140.91 2cuq s PRO 36 Ca -0.04 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.07 2cuq s PRO 36 Cb -0.03 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 2cuq s PRO 36 CO 0.02 -0.45 -0.12 -1.58 0.04 0.00 0.00 177.00 174.91 2cuq s TRP 37 N 1.38 1.11 -0.27 0.56 0.52 0.38 0.80 118.94 123.42 2cuq s TRP 37 Ca 0.64 -0.55 -0.29 0.00 0.02 0.00 0.00 56.10 55.92 2cuq s TRP 37 Cb -0.35 -0.61 0.01 0.00 -1.15 0.00 0.00 33.47 31.36 2cuq s TRP 37 CO 0.29 0.03 1.11 -1.01 0.02 0.00 0.00 176.95 177.39 2cuq s HIS 38 N -1.83 3.14 0.36 -1.98 3.76 -1.26 -2.74 115.29 114.73 2cuq s HIS 38 Ca 0.01 1.24 0.26 0.00 -0.15 0.00 0.00 55.06 56.42 2cuq s HIS 38 Cb -0.07 -3.54 1.21 0.00 1.11 0.00 0.00 32.58 31.29 2cuq s HIS 38 CO 0.01 -0.87 1.27 0.54 -0.85 0.00 0.00 174.74 174.84 2cuq n ARG 39 N 6.69 -0.03 -0.06 1.40 1.74 -1.26 0.12 116.66 125.27 2cuq n ARG 39 Ca 0.12 1.02 -0.14 0.00 -0.77 0.00 0.00 57.85 58.08 2cuq n ARG 39 Cb 0.46 -2.01 -0.12 0.00 -1.02 0.00 0.00 32.46 29.77 2cuq n ARG 39 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2cuq h GLU 40 N 0.00 0.01 0.18 5.56 5.08 -2.02 -3.36 114.58 120.03 2cuq h GLU 40 Ca 0.72 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 59.06 2cuq h GLU 40 Cb 2.31 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.55 2cuq h GLU 40 CO -0.38 0.92 -0.18 0.00 -1.00 0.00 0.00 179.01 178.37 2cuq n LEU 42 N -5.31 0.30 -3.96 0.00 7.94 0.71 -4.84 117.00 111.85 2cuq n LEU 42 Ca -0.08 -0.81 -0.09 0.00 -1.11 0.00 0.00 56.01 53.93 2cuq n LEU 42 Cb 0.22 -1.10 -0.10 0.00 0.53 0.00 0.00 43.42 42.98 2cuq n LEU 42 CO 0.30 -1.81 -0.26 0.68 -1.11 0.00 0.00 177.39 175.19 2cuq s VAL 43 N 7.70 0.14 0.95 1.96 -7.23 -1.26 -3.11 120.40 119.55 2cuq s VAL 43 Ca 1.15 -1.11 -0.13 0.00 -1.81 0.00 0.00 61.98 60.07 2cuq s VAL 43 Cb -0.57 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 35.57 2cuq s VAL 43 CO 0.35 -0.61 0.20 0.00 -0.31 0.00 0.00 175.10 174.73 2cuq n THR 45 N -3.38 0.00 -0.08 0.00 -1.04 -1.02 -2.96 114.28 105.80 2cuq n THR 45 Ca 0.05 -0.17 -0.16 0.00 -2.04 0.00 0.00 64.05 61.74 2cuq n THR 45 Cb 0.54 1.07 -0.05 0.00 -1.82 0.00 0.00 70.33 70.06 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 1.44 -0.35 0.00 3.41 0.00 -1.26 -4.73 105.19 103.70 2cuq n GLY 46 Ca 0.08 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.65 -5.45 -4.13 0.00 1.13 -1.16 -4.95 117.38 101.17 2cuq n GLN 48 Ca 0.02 0.69 -0.35 0.00 -1.94 0.00 0.00 57.00 55.41 2cuq n GLN 48 Cb 0.37 -5.23 -0.08 0.00 0.11 0.00 0.00 30.24 25.41 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 -3.29 4.87 -0.44 5.09 -1.32 -1.26 -4.64 115.64 114.66 2cuq s THR 49 Ca 0.03 -0.09 -0.28 0.00 -1.21 0.00 0.00 61.69 60.14 2cuq s THR 49 Cb -0.01 -3.11 -0.01 0.00 -1.51 0.00 0.00 72.50 67.85 2cuq s THR 49 CO 0.59 0.56 1.75 -2.16 -2.21 0.00 0.00 174.62 173.16 2cuq s PRO 50 N -1.10 3.15 -0.02 7.08 0.04 -1.26 -0.43 135.00 142.46 2cuq s PRO 50 Ca 0.16 1.08 0.03 0.00 0.04 0.00 0.00 61.00 62.31 2cuq s PRO 50 Cb -0.12 -4.23 0.13 0.00 0.04 0.00 0.00 34.50 30.33 2cuq s PRO 50 CO 0.05 -2.09 0.93 1.28 0.04 0.00 0.00 177.00 177.22 2cuq n LEU 51 N 10.82 1.22 -4.51 -3.56 4.77 -1.18 -4.88 117.00 119.69 2cuq n LEU 51 Ca 0.21 -0.61 -0.40 0.00 -0.03 0.00 0.00 56.01 55.17 2cuq n LEU 51 Cb 0.49 -0.29 -0.11 0.00 -2.33 0.00 0.00 43.42 41.18 2cuq n LEU 51 CO 0.70 0.24 2.15 0.00 -1.33 0.00 0.00 177.39 179.15 2cuq n ALA 52 N -0.01 0.45 -2.72 -1.18 0.00 -1.26 0.83 120.51 116.61 2cuq n ALA 52 Ca 0.05 -0.45 -0.13 0.00 0.00 0.00 0.00 53.44 52.91 2cuq n ALA 52 Cb 0.25 -2.54 0.02 0.00 0.00 0.00 0.00 19.45 17.18 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 6.38 0.01 3.42 0.00 0.00 -1.26 -5.03 105.19 108.72 2cuq n GLY 53 Ca 0.57 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 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 -5.23 1.53 -0.41 1.61 0.74 0.24 -5.09 119.66 113.05 2cuq s GLN 54 Ca 0.18 -1.56 -0.29 0.00 0.05 0.00 0.00 55.36 53.74 2cuq s GLN 54 Cb -0.08 -1.78 0.02 0.00 1.10 0.00 0.00 33.01 32.26 2cuq s GLN 54 CO 0.23 0.37 1.28 -1.14 -0.55 0.00 0.00 175.29 175.49 2cuq s GLN 55 N -2.85 3.71 0.34 1.67 0.74 -1.26 -4.97 119.66 117.03 2cuq s GLN 55 Ca 0.22 0.88 -0.03 0.00 0.05 0.00 0.00 55.36 56.48 2cuq s GLN 55 Cb -0.07 -3.95 0.00 0.00 1.10 0.00 0.00 33.01 30.10 2cuq s GLN 55 CO 0.11 -1.39 0.47 -0.59 -0.55 0.00 0.00 175.29 173.33 2cuq s PHE 56 N 4.83 1.04 0.15 1.67 -0.12 -1.26 -4.07 117.98 120.22 2cuq s PHE 56 Ca 0.55 -1.27 0.02 0.00 -0.05 0.00 0.00 56.93 56.18 2cuq s PHE 56 Cb -0.12 -0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.15 2cuq s PHE 56 CO 0.30 -1.13 -0.04 -0.08 -0.05 0.00 0.00 175.22 174.22 2cuq s THR 57 N -3.10 0.79 -0.11 -4.49 -1.32 -0.69 -4.98 115.64 101.75 2cuq s THR 57 Ca 0.30 -1.98 -0.03 0.00 -1.21 0.00 0.00 61.69 58.77 2cuq s THR 57 Cb -0.00 -1.95 -0.03 0.00 -1.51 0.00 0.00 72.50 69.01 2cuq s THR 57 CO 0.20 -0.64 0.01 -0.44 -2.21 0.00 0.00 174.62 171.53 2cuq s SER 58 N -3.14 5.24 -0.01 8.08 0.01 -1.26 -0.76 113.70 121.85 2cuq s SER 58 Ca 0.19 0.09 -0.00 0.00 1.31 0.00 0.00 55.95 57.54 2cuq s SER 58 Cb 0.05 -1.62 0.01 0.00 0.21 0.00 0.00 66.02 64.67 2cuq s SER 58 CO 0.01 0.31 0.03 -0.60 0.41 0.00 0.00 173.24 173.39 2cuq s ARG 59 N -0.47 -0.00 -1.48 12.44 6.06 0.58 -4.87 118.95 131.21 2cuq s ARG 59 Ca 0.08 0.10 -0.04 0.00 -2.50 0.00 0.00 55.73 53.37 2cuq s ARG 59 Cb -0.12 -0.10 0.03 0.00 0.06 0.00 0.00 34.95 34.83 2cuq s ARG 59 CO 0.02 -0.07 0.48 -0.40 -2.50 0.00 0.00 175.30 172.83 2cuq n ASP 60 N 3.55 -0.96 -2.98 -2.12 5.68 -1.26 0.37 116.55 118.83 2cuq n ASP 60 Ca -0.19 -1.01 -0.21 0.00 -0.50 0.00 0.00 54.79 52.88 2cuq n ASP 60 Cb 0.56 -2.95 0.01 0.00 -1.14 0.00 0.00 41.12 37.60 2cuq n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2cuq n GLU 61 N -4.42 -3.69 -3.74 0.11 1.02 -1.26 -4.96 120.64 103.70 2cuq n GLU 61 Ca -0.23 0.73 -0.14 0.00 -0.02 0.00 0.00 57.16 57.51 2cuq n GLU 61 Cb 0.64 -5.49 -0.15 0.00 -0.02 0.00 0.00 31.44 26.43 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 -2.54 0.04 -0.09 1.62 1.11 0.16 -5.10 116.67 111.86 2cuq s ASP 62 Ca 0.26 0.26 -0.30 0.00 0.18 0.00 0.00 52.55 52.95 2cuq s ASP 62 Cb -0.12 0.15 -0.04 0.00 1.07 0.00 0.00 42.92 43.98 2cuq s ASP 62 CO 0.32 -0.16 1.52 -2.16 1.18 0.00 0.00 175.17 175.87 2cuq s PRO 63 N 1.30 4.20 -0.06 8.23 0.04 -1.26 -0.31 135.00 147.14 2cuq s PRO 63 Ca -0.08 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.01 2cuq s PRO 63 Cb -0.12 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.52 2cuq s PRO 63 CO -0.05 -0.80 -0.17 0.71 0.04 0.00 0.00 177.00 176.73 2cuq s TYR 64 N 3.83 1.84 0.92 0.56 2.02 0.06 -2.43 117.35 124.16 2cuq s TYR 64 Ca 0.67 -0.64 -0.12 0.00 -0.37 0.00 0.00 57.07 56.61 2cuq s TYR 64 Cb -0.29 -1.26 0.14 0.00 -0.40 0.00 0.00 41.96 40.15 2cuq s TYR 64 CO 0.24 -0.26 1.10 0.00 -1.57 0.00 0.00 175.55 175.07 2cuq h VAL 66 N -1.60 1.19 0.00 0.00 2.07 -1.94 0.25 116.25 116.22 2cuq h VAL 66 Ca -0.51 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.04 2cuq h VAL 66 Cb 1.31 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2cuq h VAL 66 CO 0.58 0.26 -0.34 0.00 0.02 0.00 0.00 177.57 178.10 2cuq h ALA 67 N 1.68 1.19 0.01 1.67 0.00 -1.92 -2.90 119.26 118.99 2cuq h ALA 67 Ca 0.02 -0.31 -0.32 0.00 0.00 0.00 0.00 54.91 54.30 2cuq h ALA 67 Cb 0.45 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2cuq h ALA 67 CO 0.03 0.42 -1.77 0.00 0.00 0.00 0.00 179.25 177.93 2cuq h PHE 69 N -0.84 0.30 -0.72 0.00 3.57 -0.59 0.66 116.94 119.32 2cuq h PHE 69 Ca -0.47 0.05 -0.34 0.00 3.53 0.00 0.00 57.97 60.74 2cuq h PHE 69 Cb 1.50 -0.00 -0.20 0.00 2.79 0.00 0.00 35.95 40.04 2cuq h PHE 69 CO 0.04 -0.18 0.43 0.41 -2.23 0.00 0.00 178.31 176.78 2cuq n GLY 70 N -1.38 3.72 0.00 2.40 0.00 -1.09 -3.34 105.19 105.51 2cuq n GLY 70 Ca 0.19 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.57 0.10 -0.05 1.61 4.07 0.19 -4.64 120.64 121.34 2cuq n GLU 71 Ca 0.42 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.50 2cuq n GLU 71 Cb 1.34 -0.63 -0.01 0.00 -0.06 0.00 0.00 31.44 32.08 2cuq n GLU 71 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2cuq h LEU 72 N 0.00 0.00 -0.12 4.31 4.07 -0.61 -3.41 115.31 119.55 2cuq h LEU 72 Ca 0.00 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.79 2cuq h LEU 72 Cb 0.26 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.01 2cuq h LEU 72 CO 0.00 0.55 -0.60 -0.26 -1.08 0.00 0.00 178.44 177.04 2cuq h PHE 73 N -0.87 0.83 -3.93 1.13 0.04 -1.74 -3.37 116.94 109.03 2cuq h PHE 73 Ca 0.00 -0.37 -0.50 0.00 2.80 0.00 0.00 57.97 59.90 2cuq h PHE 73 Cb 0.22 -0.13 0.04 0.00 2.20 0.00 0.00 35.95 38.29 2cuq h PHE 73 CO -0.09 1.17 0.50 0.00 -0.60 0.00 0.00 178.31 179.28 2cuq s ALA 74 N -3.69 3.19 -1.79 2.45 0.00 -1.21 -3.24 121.76 117.47 2cuq s ALA 74 Ca -0.12 0.94 -0.20 0.00 0.00 0.00 0.00 51.96 52.58 2cuq s ALA 74 Cb 0.07 -3.37 0.19 0.00 0.00 0.00 0.00 23.12 20.01 2cuq s ALA 74 CO 0.85 -0.46 0.66 -1.13 0.00 0.00 0.00 175.76 175.69 2cuq n SER 75 N 0.22 -2.35 -3.92 0.00 3.41 -1.26 -4.41 113.62 105.31 2cuq n SER 75 Ca 0.04 -1.14 -0.26 0.00 -0.26 0.00 0.00 58.87 57.24 2cuq n SER 75 Cb 0.46 -2.12 0.16 0.00 -0.26 0.00 0.00 64.21 62.45 2cuq n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cuq n GLY 76 N -1.27 -2.58 0.07 5.00 0.00 -1.20 -4.93 105.19 100.28 2cuq n GLY 76 Ca 0.08 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 2cuq n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cuq h PRO 77 N -2.35 0.05 -0.86 1.61 0.13 -1.89 -3.34 132.00 125.35 2cuq h PRO 77 Ca -0.40 -0.03 -0.56 0.00 -0.87 0.00 0.00 66.00 64.15 2cuq h PRO 77 Cb 1.10 0.00 -0.43 0.00 0.13 0.00 0.00 31.00 31.81 2cuq h PRO 77 CO 0.27 0.53 -0.81 -1.13 -0.23 0.00 0.00 178.00 176.63 2cuq n SER 78 N -4.81 4.90 -4.30 1.44 3.41 -1.26 -4.94 113.62 108.06 2cuq n SER 78 Ca -0.08 -3.75 -0.37 0.00 -0.26 0.00 0.00 58.87 54.42 2cuq n SER 78 Cb 0.27 -0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.81 2cuq n SER 78 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cuq n SER 79 N -0.68 -2.16 -0.77 4.04 2.88 -1.25 -5.23 113.62 110.45 2cuq n SER 79 Ca 0.43 -1.11 0.10 0.00 -1.33 0.00 0.00 58.87 56.96 2cuq n SER 79 Cb 0.92 -2.35 0.08 0.00 -0.75 0.00 0.00 64.21 62.12 2cuq n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42