#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqw s SER 2 N 0.00 -0.14 0.12 1.61 1.04 -1.26 -5.19 113.70 109.88 2cqw s SER 2 Ca 0.00 0.05 -0.25 0.00 0.48 0.00 0.00 55.95 56.23 2cqw s SER 2 Cb 0.00 0.13 0.07 0.00 0.10 0.00 0.00 66.02 66.32 2cqw s SER 2 CO 0.00 -0.19 0.80 -0.94 0.98 0.00 0.00 173.24 173.88 2cqw s SER 3 N -1.81 -0.37 0.00 7.02 1.04 -1.26 -5.18 113.70 113.14 2cqw s SER 3 Ca 0.08 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2cqw s SER 3 Cb -0.01 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2cqw s SER 3 CO -0.05 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2cqw n GLY 4 N -0.36 5.32 3.61 7.32 0.00 -1.26 -5.19 105.19 114.63 2cqw n GLY 4 Ca -0.10 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2cqw n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqw s SER 5 N 1.00 -0.01 -0.26 1.61 1.04 -1.26 -5.17 113.70 110.65 2cqw s SER 5 Ca 0.00 -0.00 -0.19 0.00 0.48 0.00 0.00 55.95 56.23 2cqw s SER 5 Cb 0.00 0.01 0.07 0.00 0.10 0.00 0.00 66.02 66.20 2cqw s SER 5 CO 0.00 -0.02 0.67 -0.44 0.98 0.00 0.00 173.24 174.43 2cqw s SER 6 N -2.42 -0.80 0.00 7.02 0.01 -1.26 -5.13 113.70 111.12 2cqw s SER 6 Ca 0.13 1.40 0.00 0.00 1.31 0.00 0.00 55.95 58.79 2cqw s SER 6 Cb 0.03 1.35 0.00 0.00 0.21 0.00 0.00 66.02 67.61 2cqw s SER 6 CO -0.04 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2cqw n GLY 7 N 3.49 2.25 2.52 3.44 0.00 -1.26 -5.10 105.19 110.54 2cqw n GLY 7 Ca -0.17 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 2cqw n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cqw n ILE 8 N 0.00 -9.49 -2.51 -0.61 -0.00 -1.26 -4.96 119.36 100.52 2cqw n ILE 8 Ca 0.00 1.00 -0.39 0.00 -0.00 0.00 0.00 62.75 63.36 2cqw n ILE 8 Cb 0.00 -6.51 -0.04 0.00 -0.00 0.00 0.00 39.64 33.09 2cqw n ILE 8 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2cqw s PRO 9 N -1.89 4.51 -0.50 0.38 0.04 -1.26 -5.02 135.00 131.26 2cqw s PRO 9 Ca 0.12 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 2cqw s PRO 9 Cb -0.03 -2.99 0.13 0.00 0.04 0.00 0.00 34.50 31.64 2cqw s PRO 9 CO 0.61 0.12 0.31 0.20 0.04 0.00 0.00 177.00 178.29 2cqw s GLY 10 N -1.11 2.18 -0.08 0.56 0.00 -1.26 -4.94 107.32 102.67 2cqw s GLY 10 Ca 0.48 -2.79 -0.26 0.00 0.00 0.00 0.00 44.72 42.15 2cqw s GLY 10 CO 0.36 1.07 0.96 -0.56 0.00 0.00 0.00 173.10 174.93 2cqw h PRO 11 N 7.76 -0.03 -1.37 2.90 0.13 -2.06 -3.50 132.00 135.82 2cqw h PRO 11 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2cqw h PRO 11 Cb 1.02 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2cqw h PRO 11 CO 0.73 0.67 -0.33 0.41 -0.23 0.00 0.00 178.00 179.24 2cqw n GLY 12 N 0.94 -3.73 3.54 1.56 0.00 -1.26 -5.04 105.19 101.20 2cqw n GLY 12 Ca -0.09 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 2cqw n GLY 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2cqw s PHE 13 N -2.02 2.61 0.03 1.61 2.19 -1.26 -5.14 117.98 116.00 2cqw s PHE 13 Ca 0.00 -0.23 -0.01 0.00 0.33 0.00 0.00 56.93 57.03 2cqw s PHE 13 Cb 0.00 -1.34 -0.02 0.00 -1.31 0.00 0.00 43.02 40.34 2cqw s PHE 13 CO 0.00 0.44 -0.01 -0.08 1.83 0.00 0.00 175.22 177.40 2cqw s THR 14 N -1.36 0.13 -0.68 0.12 -1.32 -1.26 -4.94 115.64 106.34 2cqw s THR 14 Ca 0.21 -1.11 -0.11 0.00 -1.21 0.00 0.00 61.69 59.47 2cqw s THR 14 Cb -0.10 -0.59 0.02 0.00 -1.51 0.00 0.00 72.50 70.31 2cqw s THR 14 CO 0.13 -0.61 0.64 0.00 -2.21 0.00 0.00 174.62 172.56 2cqw n ALA 15 N 1.20 -2.65 -3.00 11.08 0.00 -1.26 -4.98 120.51 120.90 2cqw n ALA 15 Ca -0.21 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2cqw n ALA 15 Cb 0.57 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2cqw n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cqw n GLY 16 N -1.21 4.79 3.52 0.00 0.00 -1.26 -5.11 105.19 105.92 2cqw n GLY 16 Ca -0.16 -1.11 -0.50 0.00 0.00 0.00 0.00 46.02 44.25 2cqw n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqw n ALA 17 N -3.00 -1.77 -0.00 4.61 0.00 -1.26 -4.92 120.51 114.17 2cqw n ALA 17 Ca 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 53.44 53.92 2cqw n ALA 17 Cb 0.00 -1.88 -0.00 0.00 0.00 0.00 0.00 19.45 17.57 2cqw n ALA 17 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2cqw h GLN 18 N 2.69 0.00 -1.65 0.00 4.20 -2.03 -3.44 115.11 114.88 2cqw h GLN 18 Ca -0.41 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 57.79 2cqw h GLN 18 Cb 1.38 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.75 2cqw h GLN 18 CO 0.66 0.00 -0.94 0.41 -0.67 0.00 0.00 178.83 178.29 2cqw n GLY 19 N 1.77 4.19 3.23 3.46 0.00 -1.26 -4.73 105.19 111.85 2cqw n GLY 19 Ca -0.00 -2.14 -0.21 0.00 0.00 0.00 0.00 46.02 43.67 2cqw n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqw s SER 20 N -3.18 2.11 -0.38 1.61 0.15 -1.26 -4.83 113.70 107.91 2cqw s SER 20 Ca 0.41 -0.68 0.10 0.00 0.70 0.00 0.00 55.95 56.48 2cqw s SER 20 Cb 0.38 -0.09 0.44 0.00 -1.71 0.00 0.00 66.02 65.04 2cqw s SER 20 CO -0.09 -0.03 1.07 0.00 1.20 0.00 0.00 173.24 175.39 2cqw n SER 22 N -0.38 0.00 -0.16 0.00 2.88 -1.26 -3.95 113.62 110.75 2cqw n SER 22 Ca 0.29 0.83 0.03 0.00 -1.33 0.00 0.00 58.87 58.70 2cqw n SER 22 Cb 0.74 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2cqw n SER 22 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cqw n LEU 23 N -1.99 1.02 0.00 2.46 -0.00 -1.26 -4.84 117.00 112.38 2cqw n LEU 23 Ca 0.00 -0.78 0.00 0.00 -0.00 0.00 0.00 56.01 55.23 2cqw n LEU 23 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2cqw n LEU 23 CO 0.00 0.21 0.00 0.54 -0.00 0.00 0.00 177.39 178.14 2cqw n ARG 24 N -0.29 0.00 -3.63 1.47 5.12 -1.25 -4.82 116.66 113.27 2cqw n ARG 24 Ca 0.03 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.70 2cqw n ARG 24 Cb 0.14 -0.34 0.07 0.00 -1.16 0.00 0.00 32.46 31.18 2cqw n ARG 24 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2cqw n GLY 26 N -1.96 -1.08 3.36 0.00 0.00 -0.32 -4.91 105.19 100.28 2cqw n GLY 26 Ca 0.00 0.41 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 2cqw n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqw s ALA 27 N 0.00 -1.21 -0.09 4.61 0.00 -1.23 -4.89 121.76 118.94 2cqw s ALA 27 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.21 2cqw s ALA 27 Cb 0.00 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.84 2cqw s ALA 27 CO 0.00 -0.66 -0.15 -0.65 0.00 0.00 0.00 175.76 174.30 2cqw s GLN 28 N -3.56 2.10 0.41 0.00 -0.21 -1.26 0.17 119.66 117.31 2cqw s GLN 28 Ca 0.01 -0.53 0.03 0.00 0.02 0.00 0.00 55.36 54.89 2cqw s GLN 28 Cb 0.01 -1.76 -0.03 0.00 1.00 0.00 0.00 33.01 32.23 2cqw s GLN 28 CO -0.11 -0.02 0.10 -0.51 -2.12 0.00 0.00 175.29 172.64 2cqw s ASP 29 N 0.85 2.93 -0.11 5.90 1.01 -0.35 -4.96 116.67 121.94 2cqw s ASP 29 Ca -0.10 -1.64 -0.05 0.00 0.71 0.00 0.00 52.55 51.47 2cqw s ASP 29 Cb -0.15 0.43 -0.04 0.00 1.01 0.00 0.00 42.92 44.17 2cqw s ASP 29 CO 0.01 -0.88 0.06 1.23 0.21 0.00 0.00 175.17 175.80 2cqw h GLY 30 N 1.77 0.00 0.73 0.21 0.00 -1.95 -3.37 103.07 100.45 2cqw h GLY 30 Ca -0.37 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.01 2cqw h GLY 30 CO 0.61 0.00 0.29 1.41 0.00 0.00 0.00 176.54 178.85 2cqw h LEU 31 N -1.00 0.42 0.00 3.11 3.38 -1.93 -3.46 115.31 115.84 2cqw h LEU 31 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2cqw h LEU 31 Cb 0.22 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2cqw h LEU 31 CO -0.01 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.81 2cqw s SER 33 N -0.76 -0.67 -0.09 0.00 0.15 0.50 -1.21 113.70 111.62 2cqw s SER 33 Ca 0.00 1.05 0.15 0.00 0.70 0.00 0.00 55.95 57.85 2cqw s SER 33 Cb 0.00 0.99 0.53 0.00 -1.71 0.00 0.00 66.02 65.83 2cqw s SER 33 CO 0.00 -0.41 1.45 0.00 1.20 0.00 0.00 173.24 175.48 2cqw s HIS 35 N -1.78 3.47 -0.31 0.00 2.46 0.84 -1.18 115.29 118.81 2cqw s HIS 35 Ca 0.39 0.92 0.27 0.00 0.47 0.00 0.00 55.06 57.11 2cqw s HIS 35 Cb 0.26 -2.34 0.88 0.00 -0.13 0.00 0.00 32.58 31.25 2cqw s HIS 35 CO 0.18 -0.03 1.78 -1.00 -2.47 0.00 0.00 174.74 173.21 2cqw h PRO 36 N 1.36 0.00 0.00 2.88 0.13 -1.93 -2.65 132.00 131.79 2cqw h PRO 36 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2cqw h PRO 36 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2cqw h PRO 36 CO 0.64 0.00 -0.12 0.25 -0.23 0.00 0.00 178.00 178.55 2cqw n THR 37 N -2.82 0.19 0.30 1.56 -2.24 -1.26 -3.27 114.28 106.74 2cqw n THR 37 Ca 0.03 -0.10 0.18 0.00 -2.27 0.00 0.00 64.05 61.89 2cqw n THR 37 Cb 0.39 -0.39 0.99 0.00 -2.10 0.00 0.00 70.33 69.21 2cqw n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cqw h SER 39 N 0.00 0.74 0.46 0.00 0.87 -1.77 1.48 113.55 115.32 2cqw h SER 39 Ca 0.00 -0.52 -0.19 0.00 -1.23 0.00 0.00 61.79 59.86 2cqw h SER 39 Cb 0.20 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2cqw h SER 39 CO 0.00 1.11 -0.79 1.23 -0.53 0.00 0.00 176.83 177.85 2cqw h GLY 40 N 0.38 0.29 0.00 5.77 0.00 -0.97 -3.32 103.07 105.21 2cqw h GLY 40 Ca 0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 2cqw h GLY 40 CO 0.08 0.40 -0.14 1.41 0.00 0.00 0.00 176.54 178.29 2cqw h LEU 41 N 0.16 0.00 0.00 3.11 3.38 -1.21 -3.49 115.31 117.26 2cqw h LEU 41 Ca -0.04 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2cqw h LEU 41 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2cqw h LEU 41 CO 0.13 0.84 0.00 0.61 0.09 0.00 0.00 178.44 180.11 2cqw n GLY 42 N 1.66 1.21 0.23 0.83 0.00 0.50 -5.02 105.19 104.60 2cqw n GLY 42 Ca -0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.02 2cqw n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cqw n THR 43 N -0.15 1.82 -1.84 2.61 -2.24 -0.83 -5.04 114.28 108.61 2cqw n THR 43 Ca 0.00 -2.00 -0.37 0.00 -2.27 0.00 0.00 64.05 59.42 2cqw n THR 43 Cb 0.00 -0.12 0.05 0.00 -2.10 0.00 0.00 70.33 68.16 2cqw n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cqw h GLU 46 N -0.45 0.00 -0.23 0.00 5.08 -1.95 -3.11 114.58 113.92 2cqw h GLU 46 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2cqw h GLU 46 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2cqw h GLU 46 CO 0.59 0.25 0.00 -0.40 -1.00 0.00 0.00 179.01 178.45 2cqw n ASP 47 N -3.18 3.13 -0.03 1.42 5.68 -1.26 -4.61 116.55 117.70 2cqw n ASP 47 Ca 0.03 -2.52 -0.13 0.00 -0.50 0.00 0.00 54.79 51.67 2cqw n ASP 47 Cb 0.61 -0.35 -0.08 0.00 -1.14 0.00 0.00 41.12 40.16 2cqw n ASP 47 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2cqw h PHE 48 N 1.47 0.21 -0.08 2.11 3.57 -1.87 -1.68 116.94 120.68 2cqw h PHE 48 Ca 0.00 -0.06 -0.18 0.00 3.53 0.00 0.00 57.97 61.26 2cqw h PHE 48 Cb 1.01 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 2cqw h PHE 48 CO 0.28 0.57 -0.73 -0.07 -2.23 0.00 0.00 178.31 176.13 2cqw h LEU 49 N -0.20 0.49 -1.03 0.59 3.38 -1.78 1.50 115.31 118.26 2cqw h LEU 49 Ca 0.02 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.71 2cqw h LEU 49 Cb 0.52 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 2cqw h LEU 49 CO 0.01 1.06 0.65 0.44 0.09 0.00 0.00 178.44 180.69 2cqw h ASP 50 N 0.28 1.08 0.39 -0.43 5.19 -1.80 0.61 116.42 121.74 2cqw h ASP 50 Ca -0.03 -0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.30 2cqw h ASP 50 Cb 1.31 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 2cqw h ASP 50 CO 0.13 0.73 -1.67 -1.22 -3.12 0.00 0.00 179.24 174.09 2cqw n TYR 51 N -4.44 0.44 -3.17 4.55 4.01 -0.63 -4.47 117.16 113.44 2cqw n TYR 51 Ca 0.14 0.13 -0.24 0.00 -0.16 0.00 0.00 57.90 57.76 2cqw n TYR 51 Cb 0.10 -0.79 -0.05 0.00 -0.31 0.00 0.00 39.34 38.29 2cqw n TYR 51 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2cqw n LEU 53 N 0.48 6.56 -1.72 0.00 4.77 0.21 -4.22 117.00 123.07 2cqw n LEU 53 Ca 0.28 -3.48 -0.01 0.00 -0.03 0.00 0.00 56.01 52.77 2cqw n LEU 53 Cb 0.48 -0.81 0.01 0.00 -2.33 0.00 0.00 43.42 40.77 2cqw n LEU 53 CO 0.30 0.98 0.32 1.21 -1.33 0.00 0.00 177.39 178.87 2cqw n GLU 54 N -0.86 0.15 -0.03 3.23 2.13 -1.26 -4.98 120.64 119.02 2cqw n GLU 54 Ca 0.54 -0.18 -0.00 0.00 0.66 0.00 0.00 57.16 58.18 2cqw n GLU 54 Cb 1.59 0.04 -0.08 0.00 0.27 0.00 0.00 31.44 33.27 2cqw n GLU 54 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2cqw n ILE 55 N -0.21 0.39 -1.18 6.31 -5.35 -1.26 -5.02 119.36 113.05 2cqw n ILE 55 Ca -0.04 -0.35 -0.35 0.00 -0.27 0.00 0.00 62.75 61.74 2cqw n ILE 55 Cb 0.55 -0.30 0.09 0.00 -1.74 0.00 0.00 39.64 38.24 2cqw n ILE 55 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2cqw n LEU 56 N -2.16 1.86 -4.56 7.28 4.77 -1.26 -4.81 117.00 118.12 2cqw n LEU 56 Ca -0.10 0.56 -0.34 0.00 -0.03 0.00 0.00 56.01 56.10 2cqw n LEU 56 Cb 0.59 -1.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.33 2cqw n LEU 56 CO 0.22 -2.72 1.41 -2.16 -1.33 0.00 0.00 177.39 172.81 2cqw s PRO 57 N -3.26 3.07 -0.32 3.23 0.04 -1.26 -4.89 135.00 131.61 2cqw s PRO 57 Ca 0.67 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.05 2cqw s PRO 57 Cb -0.32 -5.17 0.10 0.00 0.04 0.00 0.00 34.50 29.15 2cqw s PRO 57 CO 0.57 -2.77 0.09 0.45 0.04 0.00 0.00 177.00 175.37 2cqw s SER 58 N 6.47 4.21 0.18 6.66 0.15 -1.26 -4.93 113.70 125.18 2cqw s SER 58 Ca 0.58 -1.77 0.00 0.00 0.70 0.00 0.00 55.95 55.46 2cqw s SER 58 Cb -0.04 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 2cqw s SER 58 CO -0.04 -0.41 0.00 -0.24 1.20 0.00 0.00 173.24 173.75 2cqw n SER 59 N 4.70 0.53 0.00 5.45 2.88 -1.26 -5.15 113.62 120.77 2cqw n SER 59 Ca -0.01 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 2cqw n SER 59 Cb 0.42 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2cqw n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqw n GLY 60 N 2.62 4.50 2.68 0.46 0.00 -1.26 -5.14 105.19 109.04 2cqw n GLY 60 Ca 0.00 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 2cqw n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqw s SER 61 N 1.34 3.65 -0.21 1.61 1.04 -1.26 -4.96 113.70 114.91 2cqw s SER 61 Ca 0.00 -1.36 -0.05 0.00 0.48 0.00 0.00 55.95 55.02 2cqw s SER 61 Cb 0.00 -0.65 0.01 0.00 0.10 0.00 0.00 66.02 65.47 2cqw s SER 61 CO 0.00 -0.40 0.10 0.23 0.98 0.00 0.00 173.24 174.15 2cqw n MET 62 N 5.01 -2.02 -3.40 4.02 2.81 -1.26 -4.90 117.12 117.38 2cqw n MET 62 Ca -0.05 1.84 -0.44 0.00 -1.81 0.00 0.00 57.70 57.24 2cqw n MET 62 Cb 0.43 -3.43 -0.02 0.00 -0.71 0.00 0.00 33.22 29.49 2cqw n MET 62 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 2cqw s MET 63 N -1.54 3.69 0.00 0.03 0.00 -1.26 -4.67 119.30 115.55 2cqw s MET 63 Ca 0.05 -2.81 0.00 0.00 0.00 0.00 0.00 55.69 52.93 2cqw s MET 63 Cb -0.01 -4.36 0.00 0.00 0.00 0.00 0.00 34.83 30.46 2cqw s MET 63 CO 0.49 -1.26 0.00 0.41 0.00 0.00 0.00 175.02 174.66 2cqw n GLY 64 N 3.32 -0.65 2.27 2.11 0.00 -1.26 -5.09 105.19 105.90 2cqw n GLY 64 Ca 0.18 0.24 -0.03 0.00 0.00 0.00 0.00 46.02 46.41 2cqw n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cqw n GLY 65 N 0.00 -4.30 1.41 -0.02 0.00 -1.26 -4.90 105.19 96.11 2cqw n GLY 65 Ca 0.00 0.81 0.19 0.00 0.00 0.00 0.00 46.02 47.01 2cqw n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2cqw n LYS 66 N 0.91 -2.96 -3.63 1.61 4.81 -1.26 -5.00 118.16 112.65 2cqw n LYS 66 Ca -0.19 2.10 -0.15 0.00 -0.87 0.00 0.00 58.31 59.20 2cqw n LYS 66 Cb 0.29 -3.56 -0.07 0.00 0.02 0.00 0.00 35.03 31.71 2cqw n LYS 66 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2cqw s ASP 67 N -7.11 -0.42 -0.01 3.14 -1.08 -1.26 -5.18 116.67 104.75 2cqw s ASP 67 Ca 0.00 0.33 -0.28 0.00 -0.52 0.00 0.00 52.55 52.07 2cqw s ASP 67 Cb 0.00 0.44 0.09 0.00 -1.46 0.00 0.00 42.92 41.99 2cqw s ASP 67 CO 0.00 -0.58 0.79 0.12 0.52 0.00 0.00 175.17 176.02 2cqw s PHE 68 N -1.60 -0.48 0.09 -5.34 5.36 -1.26 -5.18 117.98 109.57 2cqw s PHE 68 Ca -0.10 0.57 -0.11 0.00 -0.96 0.00 0.00 56.93 56.32 2cqw s PHE 68 Cb -0.02 0.49 0.01 0.00 -0.34 0.00 0.00 43.02 43.16 2cqw s PHE 68 CO 0.05 -0.59 0.25 0.54 -1.46 0.00 0.00 175.22 174.01 2cqw s VAL 69 N -2.33 0.12 0.38 3.12 0.11 -1.26 -5.18 120.40 115.36 2cqw s VAL 69 Ca -0.02 -0.95 0.04 0.00 -2.93 0.00 0.00 61.98 58.12 2cqw s VAL 69 Cb -0.01 -1.22 -0.03 0.00 -1.53 0.00 0.00 36.38 33.59 2cqw s VAL 69 CO -0.03 -0.53 0.11 0.68 -3.33 0.00 0.00 175.10 172.01 2cqw s VAL 70 N -3.61 0.70 -0.03 2.04 -7.23 -1.26 -5.16 120.40 105.86 2cqw s VAL 70 Ca 0.03 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 2cqw s VAL 70 Cb 0.03 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 2cqw s VAL 70 CO -0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 174.64 2cqw s GLN 71 N -3.77 2.69 0.00 4.82 -2.07 -1.26 -5.10 119.66 114.97 2cqw s GLN 71 Ca 0.28 -0.62 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 2cqw s GLN 71 Cb 0.04 -2.58 0.00 0.00 -1.09 0.00 0.00 33.01 29.38 2cqw s GLN 71 CO 0.15 0.63 0.00 1.58 -1.32 0.00 0.00 175.29 176.33 2cqw n HIS 72 N 1.81 0.00 -3.58 9.60 -0.00 -1.26 -5.19 115.22 116.60 2cqw n HIS 72 Ca -0.16 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 57.95 2cqw n HIS 72 Cb 0.53 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.36 2cqw n HIS 72 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2cqw s LEU 73 N 0.00 -0.25 -0.19 0.27 2.96 -1.26 -5.18 118.68 115.02 2cqw s LEU 73 Ca 0.00 0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.76 2cqw s LEU 73 Cb 0.00 1.64 0.14 0.00 0.50 0.00 0.00 46.19 48.48 2cqw s LEU 73 CO 0.00 -0.32 1.09 -0.75 -1.32 0.00 0.00 176.35 175.05 2cqw s LYS 74 N -1.90 0.45 -0.30 1.98 2.20 -1.26 -5.18 119.74 115.74 2cqw s LYS 74 Ca 0.04 0.11 -0.24 0.00 -0.36 0.00 0.00 55.97 55.52 2cqw s LYS 74 Cb -0.01 0.21 0.20 0.00 -1.51 0.00 0.00 37.83 36.72 2cqw s LYS 74 CO -0.04 -0.14 1.47 -0.46 -0.36 0.00 0.00 175.35 175.82 2cqw s TRP 75 N -1.08 -0.01 0.17 4.03 -0.00 -1.26 -5.19 118.94 115.60 2cqw s TRP 75 Ca 0.01 0.04 0.02 0.00 -0.00 0.00 0.00 56.10 56.16 2cqw s TRP 75 Cb -0.01 0.46 -0.05 0.00 -0.00 0.00 0.00 33.47 33.88 2cqw s TRP 75 CO -0.01 -0.01 -0.00 -0.08 -0.00 0.00 0.00 176.95 176.85 2cqw s THR 76 N 0.08 0.69 -0.29 5.86 -1.32 -1.26 -5.14 115.64 114.27 2cqw s THR 76 Ca 0.07 -1.98 0.01 0.00 -1.21 0.00 0.00 61.69 58.58 2cqw s THR 76 Cb -0.05 -2.09 0.18 0.00 -1.51 0.00 0.00 72.50 69.04 2cqw s THR 76 CO -0.16 -0.51 0.55 -0.62 -2.21 0.00 0.00 174.62 171.68 2cqw s ASP 77 N -3.17 -1.11 1.09 8.08 -1.08 -1.26 -5.17 116.67 114.06 2cqw s ASP 77 Ca 0.23 0.46 -0.18 0.00 -0.52 0.00 0.00 52.55 52.54 2cqw s ASP 77 Cb 0.06 1.90 0.25 0.00 -1.46 0.00 0.00 42.92 43.67 2cqw s ASP 77 CO 0.03 -0.29 1.22 -2.16 0.52 0.00 0.00 175.17 174.50 2cqw s PRO 78 N 2.78 -0.36 0.36 4.34 0.04 -1.26 -5.10 135.00 135.82 2cqw s PRO 78 Ca 0.15 -0.27 0.06 0.00 0.04 0.00 0.00 61.00 60.98 2cqw s PRO 78 Cb -0.13 -1.72 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 2cqw s PRO 78 CO -0.23 -3.10 0.01 -1.12 0.04 0.00 0.00 177.00 172.60 2cqw s SER 79 N -4.43 3.24 -0.34 6.66 0.01 -1.26 -5.13 113.70 112.45 2cqw s SER 79 Ca 0.73 -1.34 0.02 0.00 1.31 0.00 0.00 55.95 56.67 2cqw s SER 79 Cb -0.06 -0.26 0.19 0.00 0.21 0.00 0.00 66.02 66.09 2cqw s SER 79 CO 0.55 -0.48 0.73 -0.83 0.41 0.00 0.00 173.24 173.62 2cqw s GLY 80 N -3.60 -1.27 1.10 3.44 0.00 -1.26 -5.17 107.32 100.56 2cqw s GLY 80 Ca 0.35 0.89 -0.18 0.00 0.00 0.00 0.00 44.72 45.78 2cqw s GLY 80 CO 0.16 3.83 1.23 2.56 0.00 0.00 0.00 173.10 180.88 2cqw s PRO 81 N 2.33 -0.43 0.26 2.90 0.04 -1.26 -5.10 135.00 133.73 2cqw s PRO 81 Ca 0.15 -0.31 -0.08 0.00 0.04 0.00 0.00 61.00 60.81 2cqw s PRO 81 Cb -0.05 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.77 2cqw s PRO 81 CO -0.16 -3.14 0.39 0.45 0.04 0.00 0.00 177.00 174.57 2cqw s SER 82 N -4.45 0.18 0.22 6.66 0.15 -1.26 -5.18 113.70 110.01 2cqw s SER 82 Ca 0.73 -1.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.22 2cqw s SER 82 Cb -0.06 0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 64.77 2cqw s SER 82 CO 0.55 -1.10 0.17 -0.94 1.20 0.00 0.00 173.24 173.11 2cqw s SER 83 N -3.10 0.30 0.00 5.45 1.04 -1.26 -5.38 113.70 110.75 2cqw s SER 83 Ca 0.28 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2cqw s SER 83 Cb 0.01 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2cqw s SER 83 CO 0.12 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.07