#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 1.54 -0.06 1.61 1.04 -1.26 -5.17 113.70 111.40 2cuq s SER 2 Ca 0.00 -1.12 -0.12 0.00 0.48 0.00 0.00 55.95 55.19 2cuq s SER 2 Cb 0.00 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.19 2cuq s SER 2 CO 0.00 -0.48 0.29 -0.44 0.98 0.00 0.00 173.24 173.60 2cuq s SER 3 N -3.20 -0.23 0.00 7.02 0.01 -1.26 -5.12 113.70 110.93 2cuq s SER 3 Ca 0.22 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.79 2cuq s SER 3 Cb 0.05 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2cuq s SER 3 CO 0.03 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2cuq n GLY 4 N 2.07 -0.32 3.62 3.44 0.00 -1.26 -5.17 105.19 107.57 2cuq n GLY 4 Ca -0.18 0.64 -0.03 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.03 0.37 1.61 0.01 -1.26 -5.17 113.70 108.23 2cuq s SER 5 Ca 0.00 1.51 0.04 0.00 1.31 0.00 0.00 55.95 58.82 2cuq s SER 5 Cb 0.00 1.99 -0.06 0.00 0.21 0.00 0.00 66.02 68.16 2cuq s SER 5 CO 0.00 -0.23 0.05 -0.44 0.41 0.00 0.00 173.24 173.04 2cuq s SER 6 N 2.53 2.94 0.11 2.44 0.01 -1.26 -5.17 113.70 115.31 2cuq s SER 6 Ca -0.07 -1.44 0.03 0.00 1.31 0.00 0.00 55.95 55.79 2cuq s SER 6 Cb -0.10 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 2cuq s SER 6 CO -0.19 -0.63 -0.09 -0.83 0.41 0.00 0.00 173.24 171.91 2cuq s GLY 7 N -3.59 0.87 0.85 3.44 0.00 -1.26 -5.15 107.32 102.48 2cuq s GLY 7 Ca 0.32 -1.31 -0.11 0.00 0.00 0.00 0.00 44.72 43.62 2cuq s GLY 7 CO 0.15 -1.40 1.09 2.56 0.00 0.00 0.00 173.10 175.50 2cuq s PRO 8 N -3.35 1.59 -0.14 2.90 0.04 -1.26 -5.05 135.00 129.73 2cuq s PRO 8 Ca 0.10 0.94 0.01 0.00 0.04 0.00 0.00 61.00 62.09 2cuq s PRO 8 Cb 0.01 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.71 2cuq s PRO 8 CO -0.01 -2.04 -0.18 0.00 0.04 0.00 0.00 177.00 174.81 2cuq h TYR 10 N 7.12 0.00 -3.43 0.00 -1.99 -2.10 -3.46 116.97 113.12 2cuq h TYR 10 Ca -0.29 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 59.86 2cuq h TYR 10 Cb 1.20 0.00 -0.39 0.00 2.00 0.00 0.00 36.73 39.54 2cuq h TYR 10 CO 0.49 1.25 -0.77 -2.00 -0.00 0.00 0.00 178.16 177.13 2cuq s GLU 11 N -2.34 1.12 0.94 4.88 2.56 -1.26 -5.13 118.70 119.47 2cuq s GLU 11 Ca -0.26 -0.83 -0.15 0.00 0.00 0.00 0.00 54.97 53.73 2cuq s GLU 11 Cb 0.05 -2.35 0.19 0.00 2.00 0.00 0.00 34.13 34.03 2cuq s GLU 11 CO 0.53 -0.69 1.30 -0.80 -0.56 0.00 0.00 175.26 175.04 2cuq s ASN 12 N 1.58 3.25 -0.49 -1.70 -0.87 -1.26 -5.06 114.94 110.39 2cuq s ASN 12 Ca -0.01 0.24 0.03 0.00 -1.57 0.00 0.00 52.86 51.56 2cuq s ASN 12 Cb -0.18 -0.33 0.16 0.00 -0.02 0.00 0.00 41.25 40.88 2cuq s ASN 12 CO -0.10 -2.64 0.34 -1.59 -2.57 0.00 0.00 177.10 170.54 2cuq s LYS 13 N -5.83 1.36 -0.01 -0.60 0.00 -1.26 -4.89 119.74 108.50 2cuq s LYS 13 Ca 0.73 -2.33 0.17 0.00 0.00 0.00 0.00 55.97 54.54 2cuq s LYS 13 Cb -0.04 -2.13 -0.24 0.00 0.00 0.00 0.00 37.83 35.42 2cuq s LYS 13 CO 0.52 -1.29 0.52 0.34 0.00 0.00 0.00 175.35 175.44 2cuq n PHE 14 N 2.89 0.00 -3.61 1.78 7.35 -1.26 -5.02 117.46 119.59 2cuq n PHE 14 Ca 0.21 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.83 2cuq n PHE 14 Cb 0.40 -0.25 -0.05 0.00 0.35 0.00 0.00 39.48 39.94 2cuq n PHE 14 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2cuq s ALA 15 N -2.98 -2.02 0.77 3.13 0.00 -1.26 -5.06 121.76 114.35 2cuq s ALA 15 Ca -0.01 1.72 -0.11 0.00 0.00 0.00 0.00 51.96 53.56 2cuq s ALA 15 Cb 0.12 -1.11 0.06 0.00 0.00 0.00 0.00 23.12 22.19 2cuq s ALA 15 CO 0.72 -0.27 1.09 -1.25 0.00 0.00 0.00 175.76 176.05 2cuq s PRO 16 N -0.91 2.25 -0.02 0.00 0.04 -1.26 -4.83 135.00 130.26 2cuq s PRO 16 Ca 0.03 1.17 0.04 0.00 0.04 0.00 0.00 61.00 62.28 2cuq s PRO 16 Cb -0.01 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 2cuq s PRO 16 CO -0.03 -1.65 -0.14 1.03 0.04 0.00 0.00 177.00 176.25 2cuq s ARG 17 N -4.90 1.22 -0.07 4.56 0.52 -1.26 -1.37 118.95 117.66 2cuq s ARG 17 Ca 0.61 -0.49 -0.39 0.00 -0.52 0.00 0.00 55.73 54.94 2cuq s ARG 17 Cb -0.17 -1.15 -0.18 0.00 0.52 0.00 0.00 34.95 33.97 2cuq s ARG 17 CO 0.56 0.26 1.36 0.00 0.02 0.00 0.00 175.30 177.49 2cuq h ALA 19 N 4.58 1.00 0.00 0.00 0.00 -0.22 2.16 119.26 126.78 2cuq h ALA 19 Ca -0.48 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 2cuq h ALA 19 Cb 1.37 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2cuq h ALA 19 CO 0.79 0.00 -1.00 -2.13 0.00 0.00 0.00 179.25 176.92 2cuq n ARG 20 N -2.32 0.51 -0.08 0.00 3.00 -1.26 -4.70 116.66 111.81 2cuq n ARG 20 Ca 0.00 0.52 -0.19 0.00 -0.00 0.00 0.00 57.85 58.18 2cuq n ARG 20 Cb 0.15 -1.69 -0.13 0.00 0.00 0.00 0.00 32.46 30.79 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 -3.33 -2.42 0.00 0.00 2.88 0.73 -4.93 113.62 106.55 2cuq n SER 22 Ca -0.41 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 56.80 2cuq n SER 22 Cb 1.01 -2.97 0.00 0.00 -0.75 0.00 0.00 64.21 61.51 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 -2.62 0.00 -3.58 -1.46 5.02 -1.26 -4.78 118.16 109.47 2cuq n LYS 23 Ca -0.14 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.07 2cuq n LYS 23 Cb 0.59 -0.32 -0.05 0.00 -0.02 0.00 0.00 35.03 35.22 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 -0.73 0.00 -0.15 -0.18 -4.23 -1.26 -4.85 115.64 104.24 2cuq s THR 24 Ca 0.00 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 60.72 2cuq s THR 24 Cb 0.00 -1.00 0.46 0.00 1.34 0.00 0.00 72.50 73.30 2cuq s THR 24 CO 0.00 0.00 1.16 0.18 -0.54 0.00 0.00 174.62 175.42 2cuq n LEU 25 N 0.62 1.88 -0.08 4.79 4.77 -0.47 -4.58 117.00 123.93 2cuq n LEU 25 Ca -0.08 -2.92 -0.12 0.00 -0.03 0.00 0.00 56.01 52.85 2cuq n LEU 25 Cb 0.58 0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.67 2cuq n LEU 25 CO 0.14 0.99 0.67 0.00 -1.33 0.00 0.00 177.39 177.86 2cuq h THR 26 N 5.16 1.30 -3.09 -5.08 1.03 -1.95 -3.39 112.91 106.88 2cuq h THR 26 Ca -0.10 -1.16 -0.73 0.00 -0.01 0.00 0.00 66.41 64.41 2cuq h THR 26 Cb 1.52 1.57 -0.22 0.00 -1.07 0.00 0.00 68.15 69.96 2cuq h THR 26 CO 0.19 0.36 0.19 -1.10 -0.01 0.00 0.00 175.52 175.15 2cuq s GLN 27 N -4.62 3.29 0.31 0.00 -1.52 -1.26 -4.87 119.66 110.99 2cuq s GLN 27 Ca -0.14 -1.76 0.00 0.00 -1.95 0.00 0.00 55.36 51.51 2cuq s GLN 27 Cb 0.07 -4.43 0.00 0.00 -0.22 0.00 0.00 33.01 28.43 2cuq s GLN 27 CO 0.77 -1.49 0.00 0.41 -0.25 0.00 0.00 175.29 174.73 2cuq n GLY 28 N 4.95 -4.91 3.66 3.09 0.00 -1.26 -5.06 105.19 105.66 2cuq n GLY 28 Ca 0.02 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.66 -0.32 0.35 -0.02 0.00 -1.26 -4.74 107.32 99.67 2cuq s GLY 29 Ca 0.00 0.53 0.05 0.00 0.00 0.00 0.00 44.72 45.31 2cuq s GLY 29 CO 0.00 0.14 0.21 -1.34 0.00 0.00 0.00 173.10 172.11 2cuq s VAL 30 N -3.04 0.23 -0.04 1.40 -7.23 -0.98 -4.91 120.40 105.83 2cuq s VAL 30 Ca 0.11 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.26 2cuq s VAL 30 Cb -0.00 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.53 2cuq s VAL 30 CO -0.02 0.00 0.05 0.28 -0.31 0.00 0.00 175.10 175.10 2cuq s THR 31 N -3.41 -0.03 -0.14 5.32 -1.32 -1.26 -0.26 115.64 114.54 2cuq s THR 31 Ca 0.34 0.35 0.02 0.00 -1.21 0.00 0.00 61.69 61.18 2cuq s THR 31 Cb 0.03 -0.19 0.01 0.00 -1.51 0.00 0.00 72.50 70.83 2cuq s THR 31 CO 0.21 0.17 -0.20 -0.47 -2.21 0.00 0.00 174.62 172.13 2cuq s TYR 32 N 1.93 2.71 -1.07 9.09 6.14 0.37 -4.70 117.35 131.82 2cuq s TYR 32 Ca 0.02 -1.23 -0.01 0.00 0.64 0.00 0.00 57.07 56.50 2cuq s TYR 32 Cb -0.12 -1.84 0.00 0.00 0.42 0.00 0.00 41.96 40.42 2cuq s TYR 32 CO -0.03 -0.56 0.89 0.54 0.64 0.00 0.00 175.55 177.03 2cuq n ARG 33 N 4.05 -5.93 -2.96 4.97 1.74 -1.26 -2.35 116.66 114.93 2cuq n ARG 33 Ca -0.20 0.74 -0.21 0.00 -0.77 0.00 0.00 57.85 57.41 2cuq n ARG 33 Cb 0.52 -5.45 0.02 0.00 -1.02 0.00 0.00 32.46 26.52 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 -2.83 -5.40 -3.81 0.55 2.03 -1.26 -4.97 116.55 100.86 2cuq n ASP 34 Ca -0.23 -0.23 -0.12 0.00 0.52 0.00 0.00 54.79 54.73 2cuq n ASP 34 Cb 0.64 -4.41 -0.11 0.00 -0.72 0.00 0.00 41.12 36.52 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 -5.62 0.35 0.12 -0.67 -1.52 -0.99 -5.14 119.66 106.19 2cuq s GLN 35 Ca 0.25 0.09 -0.31 0.00 -1.95 0.00 0.00 55.36 53.45 2cuq s GLN 35 Cb -0.12 0.16 -0.08 0.00 -0.22 0.00 0.00 33.01 32.75 2cuq s GLN 35 CO 0.31 -0.06 1.36 -1.25 -0.25 0.00 0.00 175.29 175.40 2cuq s PRO 36 N -0.37 4.34 0.08 2.91 0.04 -1.26 0.14 135.00 140.87 2cuq s PRO 36 Ca -0.05 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.07 2cuq s PRO 36 Cb -0.03 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 2cuq s PRO 36 CO 0.01 -0.40 -0.11 -1.58 0.04 0.00 0.00 177.00 174.96 2cuq s TRP 37 N 1.00 1.08 -0.27 0.56 0.52 0.64 0.58 118.94 123.05 2cuq s TRP 37 Ca 0.63 -0.55 -0.29 0.00 0.02 0.00 0.00 56.10 55.91 2cuq s TRP 37 Cb -0.36 -0.60 0.01 0.00 -1.15 0.00 0.00 33.47 31.37 2cuq s TRP 37 CO 0.31 0.02 1.10 -1.01 0.02 0.00 0.00 176.95 177.39 2cuq s HIS 38 N -1.82 3.15 0.30 -1.98 3.76 -1.26 -2.33 115.29 115.12 2cuq s HIS 38 Ca 0.00 1.25 0.20 0.00 -0.15 0.00 0.00 55.06 56.37 2cuq s HIS 38 Cb -0.07 -3.54 1.05 0.00 1.11 0.00 0.00 32.58 31.13 2cuq s HIS 38 CO 0.01 -0.84 1.14 0.54 -0.85 0.00 0.00 174.74 174.74 2cuq n ARG 39 N 6.68 -0.03 -0.06 1.40 1.74 -1.26 0.92 116.66 126.05 2cuq n ARG 39 Ca 0.12 0.95 -0.10 0.00 -0.77 0.00 0.00 57.85 58.05 2cuq n ARG 39 Cb 0.46 -1.80 -0.10 0.00 -1.02 0.00 0.00 32.46 30.01 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 -0.32 5.56 5.08 -1.97 -3.36 114.58 119.56 2cuq h GLU 40 Ca 0.63 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 59.06 2cuq h GLU 40 Cb 1.90 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.10 2cuq h GLU 40 CO -0.42 0.72 -0.08 0.00 -1.00 0.00 0.00 179.01 178.23 2cuq n LEU 42 N -5.26 1.83 -3.67 0.00 7.94 0.11 -4.88 117.00 113.08 2cuq n LEU 42 Ca 0.00 -0.03 -0.10 0.00 -1.11 0.00 0.00 56.01 54.77 2cuq n LEU 42 Cb 0.18 -1.33 -0.05 0.00 0.53 0.00 0.00 43.42 42.75 2cuq n LEU 42 CO 0.19 -1.07 0.12 0.68 -1.11 0.00 0.00 177.39 176.20 2cuq s VAL 43 N 9.76 0.08 0.54 1.96 -7.23 -1.26 -3.58 120.40 120.67 2cuq s VAL 43 Ca 1.11 -0.64 -0.22 0.00 -1.81 0.00 0.00 61.98 60.42 2cuq s VAL 43 Cb -0.65 -1.16 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 2cuq s VAL 43 CO 0.39 -0.35 1.35 0.00 -0.31 0.00 0.00 175.10 176.18 2cuq n THR 45 N -1.01 1.48 0.02 0.00 -1.04 -0.50 -2.39 114.28 110.84 2cuq n THR 45 Ca 0.10 -0.75 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 2cuq n THR 45 Cb 0.44 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 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 0.34 -0.04 0.00 3.41 0.00 -1.26 -4.89 105.19 102.76 2cuq n GLY 46 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.52 -2.42 -4.51 0.00 1.13 -1.00 -4.97 117.38 104.08 2cuq n GLN 48 Ca 0.01 0.46 -0.34 0.00 -1.94 0.00 0.00 57.00 55.20 2cuq n GLN 48 Cb 0.25 -4.09 -0.10 0.00 0.11 0.00 0.00 30.24 26.41 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 -3.20 3.87 -0.47 5.09 -1.32 -1.26 -4.71 115.64 113.63 2cuq s THR 49 Ca 0.12 -0.49 -0.28 0.00 -1.21 0.00 0.00 61.69 59.84 2cuq s THR 49 Cb -0.02 -2.62 -0.02 0.00 -1.51 0.00 0.00 72.50 68.34 2cuq s THR 49 CO 0.40 0.55 1.78 -2.16 -2.21 0.00 0.00 174.62 172.97 2cuq s PRO 50 N -1.00 3.03 -0.02 7.08 0.04 -1.26 -0.89 135.00 141.98 2cuq s PRO 50 Ca 0.14 0.98 0.04 0.00 0.04 0.00 0.00 61.00 62.20 2cuq s PRO 50 Cb -0.11 -4.27 0.14 0.00 0.04 0.00 0.00 34.50 30.30 2cuq s PRO 50 CO 0.03 -2.24 0.95 1.28 0.04 0.00 0.00 177.00 177.06 2cuq n LEU 51 N 11.28 1.25 -4.52 -3.56 4.77 -1.23 -4.85 117.00 120.14 2cuq n LEU 51 Ca 0.21 -0.63 -0.37 0.00 -0.03 0.00 0.00 56.01 55.19 2cuq n LEU 51 Cb 0.49 -0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 41.19 2cuq n LEU 51 CO 0.70 0.25 2.12 0.00 -1.33 0.00 0.00 177.39 179.12 2cuq n ALA 52 N 0.00 0.51 -3.03 -1.18 0.00 -1.26 0.15 120.51 115.71 2cuq n ALA 52 Ca 0.05 -0.58 -0.16 0.00 0.00 0.00 0.00 53.44 52.74 2cuq n ALA 52 Cb 0.25 -2.65 0.04 0.00 0.00 0.00 0.00 19.45 17.10 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 6.28 -0.13 3.44 0.00 0.00 -1.26 -5.02 105.19 108.50 2cuq n GLY 53 Ca 0.55 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 46.23 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 -5.64 1.56 -0.41 1.61 0.74 0.12 -5.09 119.66 112.56 2cuq s GLN 54 Ca 0.31 -1.59 -0.29 0.00 0.05 0.00 0.00 55.36 53.84 2cuq s GLN 54 Cb -0.14 -1.82 0.01 0.00 1.10 0.00 0.00 33.01 32.17 2cuq s GLN 54 CO 0.39 0.38 1.32 -0.65 -0.55 0.00 0.00 175.29 176.17 2cuq s GLN 55 N -2.91 3.67 0.35 1.67 1.11 -1.26 -4.96 119.66 117.34 2cuq s GLN 55 Ca 0.23 0.89 -0.02 0.00 0.01 0.00 0.00 55.36 56.47 2cuq s GLN 55 Cb -0.07 -3.97 0.01 0.00 -1.01 0.00 0.00 33.01 27.97 2cuq s GLN 55 CO 0.11 -1.44 0.50 1.97 0.01 0.00 0.00 175.29 176.44 2cuq n PHE 56 N 8.34 -1.48 -4.25 0.91 1.16 -1.26 -4.12 117.46 116.77 2cuq n PHE 56 Ca 0.15 -2.34 -0.14 0.00 -1.87 0.00 0.00 57.45 53.25 2cuq n PHE 56 Cb 0.48 0.56 -0.10 0.00 -1.61 0.00 0.00 39.48 38.81 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 -2.79 0.99 -0.08 1.97 -1.32 -0.21 -4.93 115.64 109.26 2cuq s THR 57 Ca 0.29 -2.02 0.03 0.00 -1.21 0.00 0.00 61.69 58.77 2cuq s THR 57 Cb -0.01 -1.95 -0.02 0.00 -1.51 0.00 0.00 72.50 69.01 2cuq s THR 57 CO 0.21 -0.65 -0.18 -0.94 -2.21 0.00 0.00 174.62 170.85 2cuq s SER 58 N -3.17 3.68 -0.00 8.08 1.04 -1.26 -0.18 113.70 121.89 2cuq s SER 58 Ca 0.19 -0.36 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 2cuq s SER 58 Cb 0.04 -1.15 -0.00 0.00 0.10 0.00 0.00 66.02 65.01 2cuq s SER 58 CO 0.02 0.24 0.01 -0.60 0.98 0.00 0.00 173.24 173.89 2cuq s ARG 59 N -0.12 0.11 -1.61 4.02 3.52 -0.03 -4.85 118.95 119.99 2cuq s ARG 59 Ca -0.03 -0.14 -0.17 0.00 -0.13 0.00 0.00 55.73 55.27 2cuq s ARG 59 Cb -0.14 0.04 0.14 0.00 -1.56 0.00 0.00 34.95 33.43 2cuq s ARG 59 CO 0.04 -0.02 0.79 -0.40 -0.81 0.00 0.00 175.30 174.90 2cuq n ASP 60 N 2.66 -3.69 -2.70 -2.12 5.75 -1.26 0.61 116.55 115.82 2cuq n ASP 60 Ca -0.15 -0.88 -0.21 0.00 -0.01 0.00 0.00 54.79 53.54 2cuq n ASP 60 Cb 0.59 -3.00 0.02 0.00 -1.03 0.00 0.00 41.12 37.70 2cuq n ASP 60 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2cuq n GLU 61 N -4.35 -3.85 -3.73 0.11 1.02 -1.26 -4.99 120.64 103.59 2cuq n GLU 61 Ca 0.06 0.89 -0.17 0.00 -0.02 0.00 0.00 57.16 57.93 2cuq n GLU 61 Cb 0.50 -5.61 -0.16 0.00 -0.02 0.00 0.00 31.44 26.15 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 -2.56 0.42 -0.10 1.62 1.01 0.20 -5.12 116.67 112.13 2cuq s ASP 62 Ca 0.21 0.09 -0.29 0.00 0.71 0.00 0.00 52.55 53.26 2cuq s ASP 62 Cb -0.09 -0.05 -0.04 0.00 1.01 0.00 0.00 42.92 43.74 2cuq s ASP 62 CO 0.26 -0.17 1.53 -2.16 0.21 0.00 0.00 175.17 174.84 2cuq s PRO 63 N 1.48 4.17 -0.02 8.23 0.04 -1.26 -0.85 135.00 146.79 2cuq s PRO 63 Ca -0.04 1.98 0.06 0.00 0.04 0.00 0.00 61.00 63.04 2cuq s PRO 63 Cb -0.13 -3.92 -0.01 0.00 0.04 0.00 0.00 34.50 30.48 2cuq s PRO 63 CO -0.03 -0.84 -0.19 0.71 0.04 0.00 0.00 177.00 176.69 2cuq s TYR 64 N 3.96 1.73 0.52 0.56 2.02 0.75 -1.41 117.35 125.48 2cuq s TYR 64 Ca 0.67 -0.35 -0.17 0.00 -0.37 0.00 0.00 57.07 56.86 2cuq s TYR 64 Cb -0.29 -1.12 -0.08 0.00 -0.40 0.00 0.00 41.96 40.07 2cuq s TYR 64 CO 0.25 -0.05 0.99 0.00 -1.57 0.00 0.00 175.55 175.17 2cuq h VAL 66 N 0.93 0.62 -0.06 0.00 2.07 -1.92 0.57 116.25 118.45 2cuq h VAL 66 Ca -0.47 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 2cuq h VAL 66 Cb 1.19 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2cuq h VAL 66 CO 0.61 0.11 -0.09 0.00 0.02 0.00 0.00 177.57 178.23 2cuq h ALA 67 N 1.66 1.75 0.00 1.67 0.00 -1.92 -2.15 119.26 120.27 2cuq h ALA 67 Ca 0.59 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 55.23 2cuq h ALA 67 Cb 1.14 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2cuq h ALA 67 CO -0.37 0.19 -0.95 0.00 0.00 0.00 0.00 179.25 178.12 2cuq h PHE 69 N -1.00 0.07 -0.45 0.00 3.57 -0.29 0.77 116.94 119.61 2cuq h PHE 69 Ca -0.24 0.05 -0.20 0.00 3.53 0.00 0.00 57.97 61.12 2cuq h PHE 69 Cb 1.08 0.10 -0.12 0.00 2.79 0.00 0.00 35.95 39.80 2cuq h PHE 69 CO 0.05 -0.23 0.25 0.41 -2.23 0.00 0.00 178.31 176.56 2cuq n GLY 70 N -1.41 3.01 1.23 2.40 0.00 -0.81 -3.24 105.19 106.37 2cuq n GLY 70 Ca 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.17 0.00 0.06 1.61 -0.58 0.23 -4.60 120.64 117.20 2cuq n GLU 71 Ca 0.26 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.94 2cuq n GLU 71 Cb 1.01 -0.28 -0.04 0.00 -0.57 0.00 0.00 31.44 31.55 2cuq n GLU 71 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2cuq h LEU 72 N 0.00 -0.22 0.04 -4.62 4.07 -0.64 -3.17 115.31 110.77 2cuq h LEU 72 Ca 0.00 -0.13 -0.19 0.00 0.08 0.00 0.00 57.88 57.64 2cuq h LEU 72 Cb 0.28 0.06 0.02 0.00 1.08 0.00 0.00 40.66 42.10 2cuq h LEU 72 CO 0.00 0.30 -0.77 -0.26 -1.08 0.00 0.00 178.44 176.63 2cuq h PHE 73 N -1.03 0.69 -3.52 1.13 0.04 -1.74 -3.33 116.94 109.18 2cuq h PHE 73 Ca -0.03 -0.41 -0.61 0.00 2.80 0.00 0.00 57.97 59.73 2cuq h PHE 73 Cb 0.33 -0.07 -0.13 0.00 2.20 0.00 0.00 35.95 38.29 2cuq h PHE 73 CO 0.04 1.25 -0.34 0.00 -0.60 0.00 0.00 178.31 178.65 2cuq s ALA 74 N -3.03 3.58 -1.29 2.45 0.00 -1.20 -4.27 121.76 118.00 2cuq s ALA 74 Ca -0.12 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.07 2cuq s ALA 74 Cb 0.03 -2.48 0.01 0.00 0.00 0.00 0.00 23.12 20.68 2cuq s ALA 74 CO 0.85 -0.24 1.13 0.43 0.00 0.00 0.00 175.76 177.93 2cuq n SER 75 N 4.35 -5.86 0.00 0.00 7.64 -1.26 -2.92 113.62 115.57 2cuq n SER 75 Ca -0.11 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.24 2cuq n SER 75 Cb 0.51 -4.88 0.00 0.00 -1.01 0.00 0.00 64.21 58.84 2cuq n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cuq n GLY 76 N -1.89 -0.01 0.22 0.23 0.00 -1.20 -4.84 105.19 97.71 2cuq n GLY 76 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.75 -4.29 1.61 0.13 -1.88 -3.47 132.00 124.84 2cuq h PRO 77 Ca 0.00 -0.39 -0.24 0.00 -0.87 0.00 0.00 66.00 64.50 2cuq h PRO 77 Cb 0.00 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.03 2cuq h PRO 77 CO 0.00 1.01 -0.37 -1.12 -0.23 0.00 0.00 178.00 177.29 2cuq s SER 78 N -6.59 0.50 -0.24 1.44 0.01 -1.26 -5.15 113.70 102.41 2cuq s SER 78 Ca -0.12 -1.35 -0.04 0.00 1.31 0.00 0.00 55.95 55.75 2cuq s SER 78 Cb 0.09 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.85 2cuq s SER 78 CO 0.84 -1.06 -0.02 -0.55 0.41 0.00 0.00 173.24 172.86 2cuq s SER 79 N -3.18 4.46 0.00 2.44 0.15 -1.26 -4.20 113.70 112.12 2cuq s SER 79 Ca 0.33 -0.56 0.03 0.00 0.70 0.00 0.00 55.95 56.45 2cuq s SER 79 Cb 0.03 -1.75 0.02 0.00 -1.71 0.00 0.00 66.02 62.61 2cuq s SER 79 CO 0.16 -0.08 0.59 0.61 1.20 0.00 0.00 173.24 175.72