#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 -0.89 -0.29 1.61 0.01 -1.26 -5.15 113.70 107.73 2cuq s SER 2 Ca 0.00 1.19 -0.16 0.00 1.31 0.00 0.00 55.95 58.29 2cuq s SER 2 Cb 0.00 1.97 0.17 0.00 0.21 0.00 0.00 66.02 68.37 2cuq s SER 2 CO 0.00 -0.24 1.10 -0.55 0.41 0.00 0.00 173.24 173.96 2cuq s SER 3 N 2.80 -0.32 0.00 2.44 0.15 -1.26 -5.17 113.70 112.34 2cuq s SER 3 Ca 0.02 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.19 2cuq s SER 3 Cb -0.13 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 2cuq s SER 3 CO -0.18 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2cuq n GLY 4 N 3.37 3.68 3.62 9.45 0.00 -1.26 -5.18 105.19 118.86 2cuq n GLY 4 Ca -0.18 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 2cuq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cuq s SER 5 N 0.00 -0.37 -0.03 1.61 0.01 -1.26 -5.17 113.70 108.49 2cuq s SER 5 Ca 0.00 0.62 0.03 0.00 1.31 0.00 0.00 55.95 57.92 2cuq s SER 5 Cb 0.00 0.60 -0.00 0.00 0.21 0.00 0.00 66.02 66.83 2cuq s SER 5 CO 0.00 -0.19 -0.13 -0.44 0.41 0.00 0.00 173.24 172.89 2cuq s SER 6 N -0.23 1.68 -0.50 2.44 0.01 -1.26 -5.08 113.70 110.75 2cuq s SER 6 Ca 0.02 -0.27 0.06 0.00 1.31 0.00 0.00 55.95 57.07 2cuq s SER 6 Cb -0.04 -0.45 0.19 0.00 0.21 0.00 0.00 66.02 65.94 2cuq s SER 6 CO -0.05 0.11 0.76 -0.83 0.41 0.00 0.00 173.24 173.64 2cuq s GLY 7 N 0.11 -1.32 0.31 3.44 0.00 -1.26 -5.15 107.32 103.45 2cuq s GLY 7 Ca -0.03 -0.33 -0.29 0.00 0.00 0.00 0.00 44.72 44.07 2cuq s GLY 7 CO 0.01 3.72 1.23 2.56 0.00 0.00 0.00 173.10 180.62 2cuq s PRO 8 N 0.88 4.46 0.00 2.90 0.04 -1.26 -5.05 135.00 136.98 2cuq s PRO 8 Ca 0.29 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2cuq s PRO 8 Cb 0.01 -3.12 -0.00 0.00 0.04 0.00 0.00 34.50 31.43 2cuq s PRO 8 CO -0.06 -0.04 -0.01 0.00 0.04 0.00 0.00 177.00 176.94 2cuq s TYR 10 N -0.14 1.14 -0.41 0.00 -0.85 -1.26 -5.03 117.35 110.80 2cuq s TYR 10 Ca -0.01 -0.39 0.04 0.00 -0.52 0.00 0.00 57.07 56.19 2cuq s TYR 10 Cb -0.01 -0.89 0.45 0.00 0.38 0.00 0.00 41.96 41.89 2cuq s TYR 10 CO -0.00 -0.24 1.41 0.39 -1.52 0.00 0.00 175.55 175.59 2cuq n GLU 11 N 3.91 3.36 -2.11 -3.49 4.71 -1.26 -4.96 120.64 120.80 2cuq n GLU 11 Ca -0.24 -3.97 -0.29 0.00 -0.01 0.00 0.00 57.16 52.65 2cuq n GLU 11 Cb 0.51 -2.28 -0.06 0.00 -1.01 0.00 0.00 31.44 28.61 2cuq n GLU 11 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2cuq s ASN 12 N -3.10 5.17 -0.56 1.62 4.22 -1.26 -4.83 114.94 116.21 2cuq s ASN 12 Ca 0.54 -1.74 0.04 0.00 -2.14 0.00 0.00 52.86 49.56 2cuq s ASN 12 Cb 0.43 -2.59 0.14 0.00 1.28 0.00 0.00 41.25 40.52 2cuq s ASN 12 CO -0.00 -2.93 0.32 -0.54 -2.04 0.00 0.00 177.10 171.90 2cuq s LYS 13 N 6.28 2.02 -0.41 3.55 3.01 -1.26 -4.92 119.74 128.01 2cuq s LYS 13 Ca 0.67 -2.75 0.05 0.00 -1.01 0.00 0.00 55.97 52.93 2cuq s LYS 13 Cb -0.00 -3.23 0.49 0.00 -1.01 0.00 0.00 37.83 34.07 2cuq s LYS 13 CO 0.13 -1.16 1.58 1.19 0.51 0.00 0.00 175.35 177.60 2cuq n PHE 14 N 2.86 2.38 -3.62 3.18 3.01 -1.26 -4.97 117.46 119.03 2cuq n PHE 14 Ca 0.09 -2.24 -0.05 0.00 1.01 0.00 0.00 57.45 56.26 2cuq n PHE 14 Cb 0.33 -0.76 -0.05 0.00 -0.01 0.00 0.00 39.48 38.99 2cuq n PHE 14 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2cuq s ALA 15 N -3.53 -2.06 0.54 4.37 0.00 -1.26 -5.15 121.76 114.66 2cuq s ALA 15 Ca 0.53 1.76 -0.20 0.00 0.00 0.00 0.00 51.96 54.06 2cuq s ALA 15 Cb 0.44 -1.29 -0.06 0.00 0.00 0.00 0.00 23.12 22.22 2cuq s ALA 15 CO 0.02 -0.24 1.13 -1.25 0.00 0.00 0.00 175.76 175.42 2cuq s PRO 16 N -0.80 3.39 -0.01 0.00 0.04 -1.26 -4.86 135.00 131.51 2cuq s PRO 16 Ca 0.05 1.62 0.03 0.00 0.04 0.00 0.00 61.00 62.74 2cuq s PRO 16 Cb -0.02 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 2cuq s PRO 16 CO -0.06 -0.82 -0.11 1.03 0.04 0.00 0.00 177.00 177.09 2cuq s ARG 17 N -3.24 0.86 -0.16 4.56 0.52 -1.26 -0.49 118.95 119.75 2cuq s ARG 17 Ca 0.72 -0.38 -0.42 0.00 -0.52 0.00 0.00 55.73 55.14 2cuq s ARG 17 Cb -0.24 -0.83 -0.20 0.00 0.52 0.00 0.00 34.95 34.20 2cuq s ARG 17 CO 0.27 0.22 1.23 0.00 0.02 0.00 0.00 175.30 177.04 2cuq n ALA 19 N 2.27 1.34 -0.10 0.00 0.00 0.16 0.25 120.51 124.43 2cuq n ALA 19 Ca 0.23 0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.62 2cuq n ALA 19 Cb 0.04 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.11 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 -2.09 0.53 -0.10 0.00 3.00 -1.26 -4.72 116.66 112.01 2cuq n ARG 20 Ca 0.01 0.47 -0.19 0.00 -0.00 0.00 0.00 57.85 58.13 2cuq n ARG 20 Cb 0.12 -1.65 -0.12 0.00 0.00 0.00 0.00 32.46 30.80 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 -3.36 -2.08 0.00 0.00 2.88 0.70 -4.92 113.62 106.84 2cuq n SER 22 Ca -0.43 -0.24 0.00 0.00 -1.33 0.00 0.00 58.87 56.87 2cuq n SER 22 Cb 1.00 -2.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.19 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 -2.20 0.00 -3.62 -1.46 4.76 -1.26 -4.76 118.16 109.62 2cuq n LYS 23 Ca -0.11 0.07 -0.06 0.00 -2.87 0.00 0.00 58.31 55.34 2cuq n LYS 23 Cb 0.56 -0.38 -0.06 0.00 -1.84 0.00 0.00 35.03 33.31 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 -0.45 0.00 -0.48 -0.18 -4.23 -1.26 -4.83 115.64 104.20 2cuq s THR 24 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.55 2cuq s THR 24 Cb 0.00 -1.00 0.17 0.00 1.34 0.00 0.00 72.50 73.01 2cuq s THR 24 CO 0.00 0.00 0.39 0.18 -0.54 0.00 0.00 174.62 174.65 2cuq n LEU 25 N 1.12 0.42 -0.11 4.79 4.77 0.35 -4.65 117.00 123.69 2cuq n LEU 25 Ca -0.08 -4.59 -0.18 0.00 -0.03 0.00 0.00 56.01 51.13 2cuq n LEU 25 Cb 0.58 0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.83 2cuq n LEU 25 CO 0.08 1.84 -0.99 0.35 -1.33 0.00 0.00 177.39 177.34 2cuq n THR 26 N 2.57 1.50 -4.09 -5.08 -2.24 -1.26 -4.53 114.28 101.14 2cuq n THR 26 Ca 0.27 -0.08 -0.35 0.00 -2.27 0.00 0.00 64.05 61.63 2cuq n THR 26 Cb 0.45 -2.14 -0.13 0.00 -2.10 0.00 0.00 70.33 66.41 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 -2.73 3.55 -0.15 -0.78 1.11 -1.26 -4.87 119.66 114.53 2cuq s GLN 27 Ca -0.33 -0.55 -0.10 0.00 0.01 0.00 0.00 55.36 54.39 2cuq s GLN 27 Cb 0.08 -3.03 0.04 0.00 -1.01 0.00 0.00 33.01 29.09 2cuq s GLN 27 CO 0.45 -0.02 0.21 0.41 0.01 0.00 0.00 175.29 176.35 2cuq n GLY 28 N 4.31 -4.95 3.63 3.09 0.00 -1.26 -5.09 105.19 104.92 2cuq n GLY 28 Ca -0.17 1.44 -0.09 0.00 0.00 0.00 0.00 46.02 47.20 2cuq n GLY 28 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cuq s GLY 29 N -0.55 -0.02 0.21 -0.02 0.00 -1.26 -4.74 107.32 100.94 2cuq s GLY 29 Ca -0.24 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.16 2cuq s GLY 29 CO 0.65 -0.25 0.09 -1.34 0.00 0.00 0.00 173.10 172.26 2cuq s VAL 30 N -3.90 0.29 -0.08 1.40 -7.23 -1.05 -4.91 120.40 104.92 2cuq s VAL 30 Ca 0.12 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.28 2cuq s VAL 30 Cb -0.02 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.50 2cuq s VAL 30 CO 0.02 -0.12 0.01 0.28 -0.31 0.00 0.00 175.10 174.98 2cuq s THR 31 N -3.95 0.34 0.01 5.32 -1.32 -1.26 -0.23 115.64 114.56 2cuq s THR 31 Ca 0.35 0.07 0.05 0.00 -1.21 0.00 0.00 61.69 60.95 2cuq s THR 31 Cb 0.07 -0.55 -0.03 0.00 -1.51 0.00 0.00 72.50 70.48 2cuq s THR 31 CO 0.10 0.20 -0.11 -0.47 -2.21 0.00 0.00 174.62 172.13 2cuq s TYR 32 N 1.98 2.77 -1.41 9.09 5.04 0.49 -4.60 117.35 130.71 2cuq s TYR 32 Ca 0.04 -0.12 -0.13 0.00 -2.44 0.00 0.00 57.07 54.43 2cuq s TYR 32 Cb -0.13 -1.56 0.10 0.00 0.35 0.00 0.00 41.96 40.72 2cuq s TYR 32 CO -0.05 0.32 0.61 2.89 -1.34 0.00 0.00 175.55 177.98 2cuq n ARG 33 N 1.59 -3.46 -1.94 4.97 1.85 -1.26 0.11 116.66 118.53 2cuq n ARG 33 Ca -0.16 0.44 -0.13 0.00 -1.00 0.00 0.00 57.85 57.01 2cuq n ARG 33 Cb 0.52 -5.17 -0.02 0.00 -1.05 0.00 0.00 32.46 26.74 2cuq n ARG 33 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2cuq n ASP 34 N -2.43 -4.18 -4.03 2.89 2.03 -1.26 -5.01 116.55 104.56 2cuq n ASP 34 Ca 0.02 0.10 -0.13 0.00 0.52 0.00 0.00 54.79 55.31 2cuq n ASP 34 Cb 0.52 -3.18 -0.12 0.00 -0.72 0.00 0.00 41.12 37.63 2cuq n ASP 34 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2cuq s GLN 35 N -4.09 0.47 0.04 -0.67 -0.21 0.31 -5.13 119.66 110.38 2cuq s GLN 35 Ca 0.00 -0.65 -0.31 0.00 0.02 0.00 0.00 55.36 54.42 2cuq s GLN 35 Cb 0.00 -0.24 -0.06 0.00 1.00 0.00 0.00 33.01 33.71 2cuq s GLN 35 CO 0.00 0.04 1.42 -1.25 -2.12 0.00 0.00 175.29 173.38 2cuq s PRO 36 N -1.36 4.29 0.04 2.91 0.04 -1.26 0.18 135.00 139.84 2cuq s PRO 36 Ca -0.09 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.01 2cuq s PRO 36 Cb -0.09 -3.48 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 2cuq s PRO 36 CO 0.00 -0.54 -0.12 -1.58 0.04 0.00 0.00 177.00 174.80 2cuq s TRP 37 N 2.04 1.01 -0.28 0.56 0.52 0.68 0.36 118.94 123.82 2cuq s TRP 37 Ca 0.65 -0.38 -0.29 0.00 0.02 0.00 0.00 56.10 56.09 2cuq s TRP 37 Cb -0.34 -0.60 0.00 0.00 -1.15 0.00 0.00 33.47 31.39 2cuq s TRP 37 CO 0.28 0.01 1.27 -1.01 0.02 0.00 0.00 176.95 177.52 2cuq s HIS 38 N -1.00 2.75 0.30 -1.98 3.76 -1.26 -2.52 115.29 115.35 2cuq s HIS 38 Ca -0.02 0.92 0.24 0.00 -0.15 0.00 0.00 55.06 56.05 2cuq s HIS 38 Cb -0.08 -3.83 1.02 0.00 1.11 0.00 0.00 32.58 30.79 2cuq s HIS 38 CO 0.01 -1.61 1.04 0.54 -0.85 0.00 0.00 174.74 173.86 2cuq n ARG 39 N 7.18 -0.02 -0.07 1.40 1.74 -1.26 0.13 116.66 125.76 2cuq n ARG 39 Ca 0.14 0.81 -0.11 0.00 -0.77 0.00 0.00 57.85 57.92 2cuq n ARG 39 Cb 0.46 -1.64 -0.10 0.00 -1.02 0.00 0.00 32.46 30.16 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 0.00 -0.26 5.56 5.08 -1.97 -3.37 114.58 119.62 2cuq h GLU 40 Ca 0.59 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 59.00 2cuq h GLU 40 Cb 1.99 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.20 2cuq h GLU 40 CO -0.26 0.75 -0.01 0.00 -1.00 0.00 0.00 179.01 178.49 2cuq n LEU 42 N -5.16 1.23 -3.79 0.00 7.94 0.10 -4.86 117.00 112.46 2cuq n LEU 42 Ca -0.01 -0.21 -0.12 0.00 -1.11 0.00 0.00 56.01 54.56 2cuq n LEU 42 Cb 0.14 -1.24 -0.09 0.00 0.53 0.00 0.00 43.42 42.76 2cuq n LEU 42 CO 0.24 -1.19 -0.03 0.68 -1.11 0.00 0.00 177.39 175.98 2cuq s VAL 43 N 10.47 0.07 0.81 1.96 -7.23 -1.26 -3.39 120.40 121.83 2cuq s VAL 43 Ca 1.17 -0.58 -0.16 0.00 -1.81 0.00 0.00 61.98 60.61 2cuq s VAL 43 Cb -0.71 -0.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.55 2cuq s VAL 43 CO 0.37 -0.32 0.22 0.00 -0.31 0.00 0.00 175.10 175.07 2cuq n THR 45 N -2.66 2.56 0.03 0.00 -1.04 0.27 -3.14 114.28 110.29 2cuq n THR 45 Ca 0.07 -1.32 0.00 0.00 -2.04 0.00 0.00 64.05 60.76 2cuq n THR 45 Cb 0.52 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 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 0.36 -0.06 0.03 3.41 0.00 -1.26 -4.89 105.19 102.79 2cuq n GLY 46 Ca 0.29 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.27 -4.98 -4.20 0.00 1.13 -1.19 -4.97 117.38 101.92 2cuq n GLN 48 Ca 0.03 0.69 -0.35 0.00 -1.94 0.00 0.00 57.00 55.43 2cuq n GLN 48 Cb 0.25 -5.22 -0.08 0.00 0.11 0.00 0.00 30.24 25.31 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 -3.30 4.71 -0.48 5.09 -1.32 -1.26 -4.70 115.64 114.38 2cuq s THR 49 Ca 0.04 -0.14 -0.28 0.00 -1.21 0.00 0.00 61.69 60.11 2cuq s THR 49 Cb -0.01 -3.02 -0.02 0.00 -1.51 0.00 0.00 72.50 67.94 2cuq s THR 49 CO 0.59 0.58 1.78 -2.16 -2.21 0.00 0.00 174.62 173.20 2cuq s PRO 50 N -1.04 3.03 -0.01 7.08 0.04 -1.26 -0.77 135.00 142.06 2cuq s PRO 50 Ca 0.15 0.97 0.02 0.00 0.04 0.00 0.00 61.00 62.18 2cuq s PRO 50 Cb -0.12 -4.27 0.08 0.00 0.04 0.00 0.00 34.50 30.24 2cuq s PRO 50 CO 0.04 -2.24 0.87 1.28 0.04 0.00 0.00 177.00 177.00 2cuq n LEU 51 N 11.27 0.92 -4.52 -3.56 4.77 -1.22 -4.84 117.00 119.82 2cuq n LEU 51 Ca 0.21 -0.46 -0.29 0.00 -0.03 0.00 0.00 56.01 55.44 2cuq n LEU 51 Cb 0.49 -0.26 -0.15 0.00 -2.33 0.00 0.00 43.42 41.18 2cuq n LEU 51 CO 0.70 0.19 1.98 0.00 -1.33 0.00 0.00 177.39 178.93 2cuq n ALA 52 N -0.12 0.68 -2.78 -1.18 0.00 -1.26 0.53 120.51 116.38 2cuq n ALA 52 Ca 0.03 -0.76 -0.12 0.00 0.00 0.00 0.00 53.44 52.59 2cuq n ALA 52 Cb 0.20 -2.63 0.03 0.00 0.00 0.00 0.00 19.45 17.04 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 6.12 0.06 3.49 0.00 0.00 -1.26 -5.03 105.19 108.57 2cuq n GLY 53 Ca 0.59 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 46.09 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 -5.31 1.78 -0.39 1.61 0.74 0.19 -5.08 119.66 113.20 2cuq s GLN 54 Ca 0.21 -1.42 -0.29 0.00 0.05 0.00 0.00 55.36 53.91 2cuq s GLN 54 Cb -0.09 -1.99 0.01 0.00 1.10 0.00 0.00 33.01 32.04 2cuq s GLN 54 CO 0.25 0.41 1.41 -0.65 -0.55 0.00 0.00 175.29 176.16 2cuq s GLN 55 N -2.79 3.63 0.36 1.67 -0.21 -1.26 -4.96 119.66 116.09 2cuq s GLN 55 Ca 0.23 1.01 -0.03 0.00 0.02 0.00 0.00 55.36 56.59 2cuq s GLN 55 Cb -0.08 -4.01 0.01 0.00 1.00 0.00 0.00 33.01 29.93 2cuq s GLN 55 CO 0.13 -1.50 0.51 -0.59 -2.12 0.00 0.00 175.29 171.72 2cuq s PHE 56 N 5.29 1.03 0.27 0.91 -0.12 -1.26 -3.97 117.98 120.13 2cuq s PHE 56 Ca 0.61 -1.29 0.02 0.00 -0.05 0.00 0.00 56.93 56.22 2cuq s PHE 56 Cb -0.14 -0.00 -0.05 0.00 -0.63 0.00 0.00 43.02 42.19 2cuq s PHE 56 CO 0.31 -1.20 0.11 -0.08 -0.05 0.00 0.00 175.22 174.31 2cuq s THR 57 N -2.88 0.51 -0.04 -4.49 -1.32 -0.78 -4.94 115.64 101.71 2cuq s THR 57 Ca 0.29 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.84 2cuq s THR 57 Cb -0.01 -2.61 -0.01 0.00 -1.51 0.00 0.00 72.50 68.36 2cuq s THR 57 CO 0.21 0.00 -0.24 -0.94 -2.21 0.00 0.00 174.62 171.44 2cuq s SER 58 N -3.33 2.89 -0.03 8.08 1.04 -1.26 -1.06 113.70 120.03 2cuq s SER 58 Ca 0.37 -0.47 -0.01 0.00 0.48 0.00 0.00 55.95 56.33 2cuq s SER 58 Cb 0.07 -0.62 0.03 0.00 0.10 0.00 0.00 66.02 65.61 2cuq s SER 58 CO 0.14 0.26 0.05 -0.60 0.98 0.00 0.00 173.24 174.07 2cuq s ARG 59 N -0.30 -0.02 -1.59 4.02 6.06 -0.57 -4.85 118.95 121.70 2cuq s ARG 59 Ca 0.01 0.23 -0.16 0.00 -2.50 0.00 0.00 55.73 53.32 2cuq s ARG 59 Cb -0.12 -0.25 0.11 0.00 0.06 0.00 0.00 34.95 34.76 2cuq s ARG 59 CO 0.02 -0.18 0.92 -0.25 -2.50 0.00 0.00 175.30 173.32 2cuq n ASP 60 N 4.23 -4.34 -3.15 -2.12 9.92 -1.26 -1.16 116.55 118.67 2cuq n ASP 60 Ca -0.27 -0.86 -0.16 0.00 -0.53 0.00 0.00 54.79 52.97 2cuq n ASP 60 Cb 0.50 -3.51 0.08 0.00 -0.64 0.00 0.00 41.12 37.55 2cuq n ASP 60 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2cuq n GLU 61 N -4.59 -6.07 -3.66 -1.24 1.02 -1.26 -5.02 120.64 99.81 2cuq n GLU 61 Ca 0.06 0.74 -0.09 0.00 -0.02 0.00 0.00 57.16 57.85 2cuq n GLU 61 Cb 0.51 -5.46 -0.10 0.00 -0.02 0.00 0.00 31.44 26.38 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 -4.00 -0.27 -0.22 1.62 1.01 -0.31 -5.13 116.67 109.37 2cuq s ASP 62 Ca 0.11 0.98 -0.29 0.00 0.71 0.00 0.00 52.55 54.06 2cuq s ASP 62 Cb -0.05 1.29 -0.03 0.00 1.01 0.00 0.00 42.92 45.14 2cuq s ASP 62 CO 0.64 -0.23 1.61 -2.16 0.21 0.00 0.00 175.17 175.24 2cuq s PRO 63 N 2.49 3.80 -0.06 8.23 0.04 -1.26 -1.51 135.00 146.73 2cuq s PRO 63 Ca -0.02 1.65 0.05 0.00 0.04 0.00 0.00 61.00 62.72 2cuq s PRO 63 Cb -0.12 -4.03 -0.01 0.00 0.04 0.00 0.00 34.50 30.39 2cuq s PRO 63 CO -0.13 -1.29 -0.23 0.71 0.04 0.00 0.00 177.00 176.11 2cuq s TYR 64 N 5.17 2.28 0.34 0.56 2.02 -0.22 -0.57 117.35 126.94 2cuq s TYR 64 Ca 0.71 -0.74 -0.27 0.00 -0.37 0.00 0.00 57.07 56.40 2cuq s TYR 64 Cb -0.25 -1.51 -0.09 0.00 -0.40 0.00 0.00 41.96 39.71 2cuq s TYR 64 CO 0.29 -0.25 1.07 0.00 -1.57 0.00 0.00 175.55 175.09 2cuq h VAL 66 N 2.61 0.04 -0.62 0.00 2.07 -1.92 1.33 116.25 119.76 2cuq h VAL 66 Ca -0.47 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 2cuq h VAL 66 Cb 1.21 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2cuq h VAL 66 CO 0.64 0.00 0.23 0.00 0.02 0.00 0.00 177.57 178.47 2cuq h ALA 67 N 1.48 0.81 0.20 1.67 0.00 -1.91 -2.90 119.26 118.61 2cuq h ALA 67 Ca 0.88 -0.18 -0.29 0.00 0.00 0.00 0.00 54.91 55.31 2cuq h ALA 67 Cb 2.97 -0.24 0.03 0.00 0.00 0.00 0.00 17.79 20.54 2cuq h ALA 67 CO -0.35 0.44 -1.29 0.00 0.00 0.00 0.00 179.25 178.05 2cuq h PHE 69 N -0.06 0.88 -0.47 0.00 3.57 -0.56 1.04 116.94 121.34 2cuq h PHE 69 Ca -0.23 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.13 2cuq h PHE 69 Cb 1.97 -0.24 -0.10 0.00 2.79 0.00 0.00 35.95 40.37 2cuq h PHE 69 CO 0.15 -0.06 0.21 0.41 -2.23 0.00 0.00 178.31 176.79 2cuq n GLY 70 N -1.34 2.97 0.87 2.40 0.00 -1.10 -2.61 105.19 106.39 2cuq n GLY 70 Ca 0.30 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2cuq n GLY 70 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cuq n GLU 71 N -0.09 0.00 -0.01 1.61 1.02 0.34 -4.58 120.64 118.93 2cuq n GLU 71 Ca 0.27 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.37 2cuq n GLU 71 Cb 1.02 -0.40 -0.03 0.00 -0.02 0.00 0.00 31.44 32.01 2cuq n GLU 71 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2cuq h LEU 72 N 0.00 -0.07 0.23 -4.62 4.07 -1.16 -3.38 115.31 110.38 2cuq h LEU 72 Ca 0.00 -0.16 -0.34 0.00 0.08 0.00 0.00 57.88 57.46 2cuq h LEU 72 Cb 0.32 0.02 0.03 0.00 1.08 0.00 0.00 40.66 42.10 2cuq h LEU 72 CO 0.00 0.49 -1.57 -0.26 -1.08 0.00 0.00 178.44 176.02 2cuq h PHE 73 N -1.01 0.89 -1.79 1.13 0.04 -1.76 -3.38 116.94 111.05 2cuq h PHE 73 Ca -0.01 -0.65 -0.75 0.00 2.80 0.00 0.00 57.97 59.36 2cuq h PHE 73 Cb 0.23 -0.04 -0.17 0.00 2.20 0.00 0.00 35.95 38.17 2cuq h PHE 73 CO 0.04 1.61 1.69 0.00 -0.60 0.00 0.00 178.31 181.05 2cuq n ALA 74 N -2.77 4.76 -3.59 2.45 0.00 -1.07 -4.85 120.51 115.44 2cuq n ALA 74 Ca -0.20 -4.32 -0.29 0.00 0.00 0.00 0.00 53.44 48.64 2cuq n ALA 74 Cb 1.09 -2.97 -0.12 0.00 0.00 0.00 0.00 19.45 17.44 2cuq n ALA 74 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2cuq s SER 75 N 1.52 3.19 0.45 0.00 1.04 -1.26 -3.79 113.70 114.85 2cuq s SER 75 Ca 0.40 -2.53 0.00 0.00 0.48 0.00 0.00 55.95 54.30 2cuq s SER 75 Cb 0.04 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.43 2cuq s SER 75 CO 0.01 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2cuq n GLY 76 N 3.63 -3.28 3.61 7.32 0.00 -1.26 -4.95 105.19 110.26 2cuq n GLY 76 Ca 0.12 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 2cuq n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cuq s PRO 77 N -4.14 -0.85 0.06 1.61 0.04 -1.26 -5.07 135.00 125.40 2cuq s PRO 77 Ca 0.00 0.07 0.05 0.00 0.04 0.00 0.00 61.00 61.16 2cuq s PRO 77 Cb 0.00 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 32.87 2cuq s PRO 77 CO 0.00 -3.49 -0.07 -1.54 0.04 0.00 0.00 177.00 171.94 2cuq s SER 78 N -3.79 4.60 -0.23 6.66 1.04 -1.26 -5.05 113.70 115.67 2cuq s SER 78 Ca 0.70 -0.25 -0.17 0.00 0.48 0.00 0.00 55.95 56.70 2cuq s SER 78 Cb -0.12 -1.00 -0.14 0.00 0.10 0.00 0.00 66.02 64.86 2cuq s SER 78 CO 0.56 0.22 -0.09 -0.24 0.98 0.00 0.00 173.24 174.67 2cuq n SER 79 N 1.03 1.90 0.00 7.02 2.88 -1.26 -5.31 113.62 119.88 2cuq n SER 79 Ca -0.14 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2cuq n SER 79 Cb 0.52 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 2cuq n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42