#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2z0r s ASP 4 N 0.00 6.36 -0.40 2.55 2.15 -1.26 -4.88 116.67 121.19 2z0r s ASP 4 Ca 0.00 0.19 0.05 0.00 0.43 0.00 0.00 52.55 53.22 2z0r s ASP 4 Cb 0.00 -2.55 0.51 0.00 -0.30 0.00 0.00 42.92 40.58 2z0r s ASP 4 CO 0.00 -1.54 1.60 0.18 -0.17 0.00 0.00 175.17 175.24 2z0r n LEU 5 N 8.76 5.45 0.03 -1.34 4.32 -1.26 -4.51 117.00 128.45 2z0r n LEU 5 Ca 0.10 -4.06 0.03 0.00 -0.02 0.00 0.00 56.01 52.06 2z0r n LEU 5 Cb 0.49 -0.68 -0.09 0.00 -1.62 0.00 0.00 43.42 41.52 2z0r n LEU 5 CO 0.71 1.45 -0.38 -1.54 -1.22 0.00 0.00 177.39 176.41 2z0r n SER 6 N -1.01 0.64 -3.19 -1.43 3.41 -1.26 -4.94 113.62 105.84 2z0r n SER 6 Ca 0.46 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 2z0r n SER 6 Cb 1.04 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 2z0r n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2z0r n GLY 7 N 1.36 -1.24 3.71 5.00 0.00 -1.26 -4.98 105.19 107.78 2z0r n GLY 7 Ca -0.09 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 2z0r n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2z0r s THR 8 N 0.00 4.67 0.09 2.61 2.01 -1.26 -4.94 115.64 118.82 2z0r s THR 8 Ca 0.00 1.93 -0.26 0.00 0.31 0.00 0.00 61.69 63.67 2z0r s THR 8 Cb 0.00 -4.24 -0.06 0.00 0.01 0.00 0.00 72.50 68.21 2z0r s THR 8 CO 0.00 0.16 0.80 0.26 -0.69 0.00 0.00 174.62 175.15 2z0r s TRP 9 N 0.96 3.80 -0.29 4.92 0.52 -0.49 -4.73 118.94 123.63 2z0r s TRP 9 Ca 0.53 1.58 -0.03 0.00 0.02 0.00 0.00 56.10 58.20 2z0r s TRP 9 Cb -0.23 -2.84 0.04 0.00 -1.15 0.00 0.00 33.47 29.28 2z0r s TRP 9 CO 0.28 0.34 0.00 0.71 0.02 0.00 0.00 176.95 178.30 2z0r s TYR 10 N -0.39 3.19 0.45 -1.98 2.02 0.33 0.67 117.35 121.63 2z0r s TYR 10 Ca 0.39 -1.61 0.06 0.00 -0.37 0.00 0.00 57.07 55.54 2z0r s TYR 10 Cb -0.22 -2.13 -0.03 0.00 -0.40 0.00 0.00 41.96 39.18 2z0r s TYR 10 CO 0.25 -0.74 0.21 0.08 -1.57 0.00 0.00 175.55 173.78 2z0r s VAL 11 N 1.32 2.08 0.04 0.71 1.01 0.39 -0.79 120.40 125.16 2z0r s VAL 11 Ca -0.02 -1.68 0.02 0.00 0.00 0.00 0.00 61.98 60.30 2z0r s VAL 11 Cb -0.18 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2z0r s VAL 11 CO -0.01 0.00 0.02 -0.76 0.00 0.00 0.00 175.10 174.35 2z0r s LEU 12 N -3.98 3.57 -0.04 3.92 1.02 -1.26 0.17 118.68 122.09 2z0r s LEU 12 Ca 0.36 -0.04 -0.07 0.00 0.02 0.00 0.00 54.13 54.41 2z0r s LEU 12 Cb 0.02 -2.16 0.01 0.00 0.02 0.00 0.00 46.19 44.09 2z0r s LEU 12 CO 0.20 0.23 0.16 -1.61 0.02 0.00 0.00 176.35 175.36 2z0r s GLU 13 N -1.90 0.33 0.00 1.70 2.02 0.25 -4.34 118.70 116.74 2z0r s GLU 13 Ca 0.23 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.20 2z0r s GLU 13 Cb -0.12 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.26 2z0r s GLU 13 CO 0.15 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.77 2z0r n GLY 14 N 2.34 1.99 3.83 -1.39 0.00 0.48 -0.96 105.19 111.48 2z0r n GLY 14 Ca -0.17 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 2z0r n GLY 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2z0r s ASP 15 N 1.00 5.52 -0.06 1.61 1.01 -1.26 -4.84 116.67 119.65 2z0r s ASP 15 Ca 0.00 1.59 -0.38 0.00 0.71 0.00 0.00 52.55 54.47 2z0r s ASP 15 Cb 0.00 -2.49 -0.16 0.00 1.01 0.00 0.00 42.92 41.28 2z0r s ASP 15 CO 0.00 -1.35 1.55 -2.65 0.21 0.00 0.00 175.17 172.93 2z0r n PRO 16 N -3.06 1.29 -0.27 8.23 -0.02 -1.26 0.07 135.00 139.99 2z0r n PRO 16 Ca 0.07 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2z0r n PRO 16 Cb 0.54 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2z0r n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2z0r n GLY 17 N 3.37 1.77 3.56 -1.23 0.00 -1.26 -5.00 105.19 106.40 2z0r n GLY 17 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2z0r n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2z0r s GLU 18 N -0.25 3.58 -0.04 1.61 2.12 0.11 -4.89 118.70 120.94 2z0r s GLU 18 Ca 0.00 -0.04 0.07 0.00 0.36 0.00 0.00 54.97 55.36 2z0r s GLU 18 Cb 0.00 -3.85 0.10 0.00 0.26 0.00 0.00 34.13 30.65 2z0r s GLU 18 CO 0.00 -0.82 1.05 0.72 -0.54 0.00 0.00 175.26 175.68 2z0r n HIS 19 N 6.14 0.01 -1.79 5.30 8.25 -1.26 -0.38 115.22 131.48 2z0r n HIS 19 Ca -0.01 -0.67 -0.01 0.00 -0.26 0.00 0.00 57.72 56.77 2z0r n HIS 19 Cb 0.48 -0.08 -0.00 0.00 1.12 0.00 0.00 29.99 31.50 2z0r n HIS 19 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2z0r n LEU 20 N -0.81 -3.34 -4.64 2.41 7.94 -1.26 -4.54 117.00 112.76 2z0r n LEU 20 Ca 0.06 0.44 -0.34 0.00 -1.11 0.00 0.00 56.01 55.06 2z0r n LEU 20 Cb 0.39 -1.59 -0.10 0.00 0.53 0.00 0.00 43.42 42.65 2z0r n LEU 20 CO 0.00 -0.89 -0.34 -0.69 -1.11 0.00 0.00 177.39 174.36 2z0r s VAL 21 N -0.32 4.01 0.03 1.96 1.01 -1.26 -4.35 120.40 121.48 2z0r s VAL 21 Ca -0.03 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.62 2z0r s VAL 21 Cb 0.00 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 2z0r s VAL 21 CO 0.20 0.57 -0.22 -0.69 0.00 0.00 0.00 175.10 174.95 2z0r s VAL 22 N -0.88 1.80 -0.29 2.92 1.01 0.07 -4.96 120.40 120.07 2z0r s VAL 22 Ca 0.14 -1.21 -0.08 0.00 0.00 0.00 0.00 61.98 60.84 2z0r s VAL 22 Cb -0.11 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.72 2z0r s VAL 22 CO 0.03 0.29 0.10 -1.61 0.00 0.00 0.00 175.10 173.91 2z0r s GLU 23 N -1.09 3.21 0.18 2.72 2.02 -1.26 -0.46 118.70 124.02 2z0r s GLU 23 Ca 0.09 -0.78 -0.23 0.00 0.02 0.00 0.00 54.97 54.07 2z0r s GLU 23 Cb -0.09 -3.41 0.06 0.00 0.10 0.00 0.00 34.13 30.79 2z0r s GLU 23 CO 0.01 -0.41 0.61 0.00 0.02 0.00 0.00 175.26 175.50 2z0r s ALA 24 N 1.54 -1.52 -1.36 5.21 0.00 -0.36 -4.93 121.76 120.34 2z0r s ALA 24 Ca 0.04 0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 2z0r s ALA 24 Cb -0.17 0.88 0.02 0.00 0.00 0.00 0.00 23.12 23.85 2z0r s ALA 24 CO 0.03 -0.81 0.25 1.28 0.00 0.00 0.00 175.76 176.52 2z0r n LEU 25 N -0.39 -1.74 -3.57 0.00 4.77 -1.26 -1.31 117.00 113.50 2z0r n LEU 25 Ca -0.15 -0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.54 2z0r n LEU 25 Cb 0.64 -2.48 0.07 0.00 -2.33 0.00 0.00 43.42 39.32 2z0r n LEU 25 CO 0.13 0.00 0.10 0.61 -1.33 0.00 0.00 177.39 176.90 2z0r n GLY 26 N -1.09 -0.40 2.62 -0.72 0.00 -1.26 -4.96 105.19 99.38 2z0r n GLY 26 Ca -0.13 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 2z0r n GLY 26 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2z0r n GLU 27 N -4.42 0.36 -5.15 1.61 0.28 -0.43 -5.15 120.64 107.74 2z0r n GLU 27 Ca -0.19 -0.88 -0.32 0.00 -0.16 0.00 0.00 57.16 55.61 2z0r n GLU 27 Cb 0.63 1.23 -0.16 0.00 1.43 0.00 0.00 31.44 34.57 2z0r n GLU 27 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2z0r s ARG 28 N -2.03 3.04 0.22 3.44 0.52 -1.26 -1.23 118.95 121.65 2z0r s ARG 28 Ca 0.17 -0.85 0.05 0.00 -0.52 0.00 0.00 55.73 54.58 2z0r s ARG 28 Cb -0.02 -2.34 -0.05 0.00 0.52 0.00 0.00 34.95 33.07 2z0r s ARG 28 CO 0.03 0.22 -0.06 -0.51 0.02 0.00 0.00 175.30 175.00 2z0r s LEU 29 N 0.26 2.39 0.00 2.53 2.01 0.39 -2.12 118.68 124.13 2z0r s LEU 29 Ca -0.15 -1.14 0.00 0.00 0.01 0.00 0.00 54.13 52.85 2z0r s LEU 29 Cb -0.17 -0.43 0.00 0.00 0.01 0.00 0.00 46.19 45.60 2z0r s LEU 29 CO 0.08 -0.38 0.00 -0.24 1.01 0.00 0.00 176.35 176.81 2z0r n SER 30 N -0.40 0.55 -4.14 2.29 2.88 -0.91 -0.75 113.62 113.13 2z0r n SER 30 Ca -0.07 -0.99 -0.16 0.00 -1.33 0.00 0.00 58.87 56.32 2z0r n SER 30 Cb 0.62 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.97 2z0r n SER 30 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2z0r s GLY 31 N -0.99 0.77 0.00 0.46 0.00 -1.26 -4.29 107.32 102.00 2z0r s GLY 31 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.74 2z0r s GLY 31 CO 0.00 -1.03 -0.03 -1.50 0.00 0.00 0.00 173.10 170.54 2z0r s ILE 32 N -1.58 0.21 0.05 0.90 2.07 -1.26 -4.56 121.20 117.02 2z0r s ILE 32 Ca -0.02 -0.21 0.05 0.00 -1.41 0.00 0.00 60.65 59.05 2z0r s ILE 32 Cb -0.08 -0.20 -0.02 0.00 0.13 0.00 0.00 42.46 42.28 2z0r s ILE 32 CO 0.01 -0.01 -0.14 0.26 -1.91 0.00 0.00 174.94 173.16 2z0r s TRP 33 N -0.22 1.20 -0.53 3.50 0.51 0.03 -1.02 118.94 122.41 2z0r s TRP 33 Ca -0.01 -0.38 0.24 0.00 -2.12 0.00 0.00 56.10 53.83 2z0r s TRP 33 Cb -0.02 -0.70 0.33 0.00 -0.81 0.00 0.00 33.47 32.27 2z0r s TRP 33 CO -0.00 0.04 1.37 1.79 -0.51 0.00 0.00 176.95 179.63 2z0r h THR 34 N 4.46 0.00 -3.64 2.01 1.35 -1.85 0.95 112.91 116.20 2z0r h THR 34 Ca -0.39 -0.68 -0.48 0.00 -0.55 0.00 0.00 66.41 64.31 2z0r h THR 34 Cb 1.18 1.37 -0.19 0.00 -1.73 0.00 0.00 68.15 68.78 2z0r h THR 34 CO 0.43 0.00 -0.78 -0.44 -0.25 0.00 0.00 175.52 174.48 2z0r s SER 35 N -4.83 2.26 0.32 5.36 0.01 -1.26 -4.82 113.70 110.74 2z0r s SER 35 Ca 0.05 -0.77 0.16 0.00 1.31 0.00 0.00 55.95 56.70 2z0r s SER 35 Cb 0.11 -0.11 0.47 0.00 0.21 0.00 0.00 66.02 66.70 2z0r s SER 35 CO 0.71 -0.06 1.64 -0.09 0.41 0.00 0.00 173.24 175.85 2z0r h ARG 36 N 3.68 0.00 -0.10 12.44 2.43 -1.94 -2.68 114.38 128.22 2z0r h ARG 36 Ca -0.42 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.60 2z0r h ARG 36 Cb 1.19 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2z0r h ARG 36 CO 0.47 0.48 -0.51 1.49 -1.51 0.00 0.00 179.97 180.39 2z0r h GLU 37 N 0.00 0.52 -0.24 0.20 4.57 -1.98 -0.60 114.58 117.06 2z0r h GLU 37 Ca -0.00 -0.43 -0.03 0.00 -1.18 0.00 0.00 59.36 57.72 2z0r h GLU 37 Cb 1.07 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 2z0r h GLU 37 CO 0.06 1.05 0.01 -0.07 -1.18 0.00 0.00 179.01 178.89 2z0r h LEU 38 N 0.12 0.32 0.18 1.64 3.38 -1.95 0.14 115.31 119.14 2z0r h LEU 38 Ca -0.03 -0.04 -0.31 0.00 0.09 0.00 0.00 57.88 57.58 2z0r h LEU 38 Cb 1.15 -0.08 0.03 0.00 0.09 0.00 0.00 40.66 41.85 2z0r h LEU 38 CO 0.10 0.36 -1.36 0.00 0.09 0.00 0.00 178.44 177.64 2z0r h ALA 39 N 1.68 -0.05 -0.01 1.53 0.00 -1.45 -2.95 119.26 118.01 2z0r h ALA 39 Ca 0.08 -0.84 -0.07 0.00 0.00 0.00 0.00 54.91 54.07 2z0r h ALA 39 Cb 0.21 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2z0r h ALA 39 CO 0.00 0.76 -0.35 1.49 0.00 0.00 0.00 179.25 181.16 2z0r h GLU 40 N 0.16 0.02 -0.15 0.00 4.57 -0.59 0.26 114.58 118.85 2z0r h GLU 40 Ca -0.21 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 57.90 2z0r h GLU 40 Cb 2.05 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.64 2z0r h GLU 40 CO 0.25 0.37 -0.14 0.00 -1.18 0.00 0.00 179.01 178.30 2z0r h ALA 41 N 1.63 0.22 -0.27 2.92 0.00 -0.77 0.33 119.26 123.32 2z0r h ALA 41 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2z0r h ALA 41 Cb 0.62 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2z0r h ALA 41 CO 0.05 0.10 0.18 0.35 0.00 0.00 0.00 179.25 179.92 2z0r h PHE 42 N -0.01 0.34 -0.84 0.00 3.57 -1.29 -2.16 116.94 116.55 2z0r h PHE 42 Ca 0.02 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 2z0r h PHE 42 Cb 0.67 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 2z0r h PHE 42 CO 0.08 0.22 0.39 1.25 -2.23 0.00 0.00 178.31 178.02 2z0r h LEU 43 N 0.36 1.12 -1.90 0.59 5.85 -0.88 -1.27 115.31 119.18 2z0r h LEU 43 Ca 0.10 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2z0r h LEU 43 Cb -0.03 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.70 2z0r h LEU 43 CO -0.02 0.95 0.04 0.00 -0.34 0.00 0.00 178.44 179.07 2z0r h ALA 44 N 1.21 1.92 -0.01 1.25 0.00 -0.59 0.13 119.26 123.18 2z0r h ALA 44 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2z0r h ALA 44 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2z0r h ALA 44 CO -0.03 0.07 -0.05 0.72 0.00 0.00 0.00 179.25 179.95 2z0r n HIS 45 N -4.51 0.00 -3.25 0.00 8.25 -0.53 -4.38 115.22 110.79 2z0r n HIS 45 Ca -0.02 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.20 2z0r n HIS 45 Cb 0.09 -0.10 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 2z0r n HIS 45 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2z0r n HIS 46 N -0.73 0.70 -2.05 4.41 -0.00 0.45 -5.08 115.22 112.92 2z0r n HIS 46 Ca 0.18 -3.72 -0.28 0.00 -0.00 0.00 0.00 57.72 53.90 2z0r n HIS 46 Cb 0.25 -0.41 0.13 0.00 -0.00 0.00 0.00 29.99 29.97 2z0r n HIS 46 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 2z0r s PRO 47 N -1.56 1.36 -1.07 -0.41 0.02 -1.24 -4.29 135.00 127.81 2z0r s PRO 47 Ca 0.36 -0.35 0.00 0.00 0.02 0.00 0.00 61.00 61.04 2z0r s PRO 47 Cb 0.17 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.70 2z0r s PRO 47 CO -0.08 -1.89 0.00 0.72 -0.33 0.00 0.00 177.00 175.41 2z0r n HIS 48 N -3.40 0.00 0.63 6.54 8.25 -1.26 -4.81 115.22 121.17 2z0r n HIS 48 Ca 0.12 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.66 2z0r n HIS 48 Cb 0.60 -2.28 0.06 0.00 1.12 0.00 0.00 29.99 29.49 2z0r n HIS 48 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2z0r n LEU 49 N -1.14 2.25 -2.62 2.41 4.77 -1.26 -5.27 117.00 116.14 2z0r n LEU 49 Ca -0.10 -1.00 -0.01 0.00 -0.03 0.00 0.00 56.01 54.87 2z0r n LEU 49 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2z0r n LEU 49 CO 0.15 0.41 0.23 0.61 -1.33 0.00 0.00 177.39 177.46 2z0r n GLY 50 N 0.85 -1.00 0.00 -0.72 0.00 -1.26 -4.96 105.19 98.09 2z0r n GLY 50 Ca 0.09 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2z0r n GLY 50 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2z0r n ARG 52 N -1.42 0.00 -3.24 1.61 1.85 -0.13 -4.45 116.66 110.88 2z0r n ARG 52 Ca 0.01 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.47 2z0r n ARG 52 Cb 0.48 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.83 2z0r n ARG 52 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2z0r s VAL 53 N -2.00 5.12 -0.01 8.89 1.01 -1.26 -0.59 120.40 131.57 2z0r s VAL 53 Ca 0.00 1.02 0.08 0.00 0.00 0.00 0.00 61.98 63.08 2z0r s VAL 53 Cb 0.00 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2z0r s VAL 53 CO 0.00 0.23 -0.25 -0.44 0.00 0.00 0.00 175.10 174.63 2z0r s SER 54 N 0.94 3.12 -0.09 3.32 0.01 0.13 -4.95 113.70 116.18 2z0r s SER 54 Ca 0.26 -0.48 -0.13 0.00 1.31 0.00 0.00 55.95 56.91 2z0r s SER 54 Cb -0.15 -0.36 -0.05 0.00 0.21 0.00 0.00 66.02 65.67 2z0r s SER 54 CO 0.10 0.31 0.32 0.00 0.41 0.00 0.00 173.24 174.38 2z0r s ALA 55 N -0.65 3.68 -0.47 1.44 0.00 -1.26 -0.46 121.76 124.03 2z0r s ALA 55 Ca 0.10 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.71 2z0r s ALA 55 Cb -0.10 -2.32 0.12 0.00 0.00 0.00 0.00 23.12 20.82 2z0r s ALA 55 CO -0.00 0.33 0.21 -0.51 0.00 0.00 0.00 175.76 175.79 2z0r s LEU 56 N -0.39 4.57 -0.09 0.00 1.43 0.21 -4.95 118.68 119.46 2z0r s LEU 56 Ca 0.19 -2.71 -0.18 0.00 -1.03 0.00 0.00 54.13 50.40 2z0r s LEU 56 Cb -0.14 -1.66 -0.28 0.00 0.03 0.00 0.00 46.19 44.13 2z0r s LEU 56 CO 0.08 -0.30 0.66 -0.08 0.23 0.00 0.00 176.35 176.93 2z0r h GLU 57 N 6.94 0.25 -7.20 1.70 4.81 -1.92 -1.30 114.58 117.85 2z0r h GLU 57 Ca -0.06 -0.42 -0.50 0.00 -0.13 0.00 0.00 59.36 58.25 2z0r h GLU 57 Cb 0.94 0.16 0.07 0.00 0.63 0.00 0.00 28.75 30.55 2z0r h GLU 57 CO 0.64 1.20 0.38 0.45 -0.73 0.00 0.00 179.01 180.95 2z0r s SER 58 N -6.99 5.64 0.17 1.04 0.15 -1.26 -4.82 113.70 107.63 2z0r s SER 58 Ca -0.18 1.85 -0.03 0.00 0.70 0.00 0.00 55.95 58.29 2z0r s SER 58 Cb 0.03 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.86 2z0r s SER 58 CO 0.78 -1.27 1.44 0.03 1.20 0.00 0.00 173.24 175.42 2z0r h ARG 59 N 0.32 0.47 -0.07 5.44 3.08 -1.93 -2.57 114.38 119.12 2z0r h ARG 59 Ca -0.47 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.17 2z0r h ARG 59 Cb 1.23 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 2z0r h ARG 59 CO 0.57 0.99 -0.21 0.00 -1.07 0.00 0.00 179.97 180.25 2z0r h ALA 60 N 0.92 1.52 0.00 0.04 0.00 -1.93 -1.68 119.26 118.12 2z0r h ALA 60 Ca -0.02 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 2z0r h ALA 60 Cb 1.26 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2z0r h ALA 60 CO 0.12 0.35 -0.85 -0.07 0.00 0.00 0.00 179.25 178.80 2z0r h LEU 61 N 0.11 0.00 -0.14 0.00 3.38 -1.92 -2.11 115.31 114.63 2z0r h LEU 61 Ca 0.02 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 2z0r h LEU 61 Cb 0.44 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2z0r h LEU 61 CO 0.03 0.85 -0.69 0.11 0.09 0.00 0.00 178.44 178.83 2z0r h LYS 62 N 0.00 0.72 -0.39 1.13 1.57 -1.18 -2.67 116.57 115.75 2z0r h LYS 62 Ca -0.01 -0.58 -0.05 0.00 -1.87 0.00 0.00 60.65 58.14 2z0r h LYS 62 Cb 1.65 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 34.07 2z0r h LYS 62 CO 0.11 1.19 0.06 1.49 -0.57 0.00 0.00 179.45 181.73 2z0r h GLU 63 N 0.42 0.66 -0.80 3.15 4.81 -1.34 -0.85 114.58 120.62 2z0r h GLU 63 Ca -0.04 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2z0r h GLU 63 Cb 1.32 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 2z0r h GLU 63 CO 0.14 0.71 0.51 0.00 -0.73 0.00 0.00 179.01 179.64 2z0r h ALA 64 N 0.92 1.38 -0.20 2.92 0.00 -1.41 0.76 119.26 123.63 2z0r h ALA 64 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2z0r h ALA 64 Cb 0.38 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2z0r h ALA 64 CO 0.01 0.55 0.07 -0.92 0.00 0.00 0.00 179.25 178.95 2z0r h TYR 65 N 1.10 0.32 -0.52 0.00 3.20 -1.14 -2.17 116.97 117.76 2z0r h TYR 65 Ca 0.29 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 2z0r h TYR 65 Cb -0.09 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 2z0r h TYR 65 CO 0.00 0.39 0.13 -0.07 -1.64 0.00 0.00 178.16 176.97 2z0r h LEU 66 N 0.15 0.74 -0.82 2.82 3.38 -0.53 -1.49 115.31 119.56 2z0r h LEU 66 Ca 0.06 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2z0r h LEU 66 Cb 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2z0r h LEU 66 CO -0.00 0.73 -0.38 0.03 0.09 0.00 0.00 178.44 178.91 2z0r h ARG 67 N 0.77 0.00 -0.31 1.13 3.08 -0.75 0.34 114.38 118.64 2z0r h ARG 67 Ca 0.17 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.06 2z0r h ARG 67 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 2z0r h ARG 67 CO -0.00 0.38 -0.44 0.00 -1.07 0.00 0.00 179.97 178.84 2z0r h ALA 68 N 1.62 0.47 -0.43 0.04 0.00 -0.88 -2.90 119.26 117.19 2z0r h ALA 68 Ca -0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2z0r h ALA 68 Cb 0.95 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2z0r h ALA 68 CO 0.05 0.61 -0.14 -0.07 0.00 0.00 0.00 179.25 179.70 2z0r h LEU 69 N 0.63 0.79 -1.74 0.00 3.38 -0.79 -2.45 115.31 115.13 2z0r h LEU 69 Ca 0.03 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2z0r h LEU 69 Cb 1.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2z0r h LEU 69 CO 0.10 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.18 2z0r n GLY 70 N -0.38 0.75 0.00 0.83 0.00 0.11 -0.76 105.19 105.74 2z0r n GLY 70 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2z0r n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2z0r n LEU 72 N 0.67 0.00 -1.83 0.99 4.32 -0.92 -4.25 117.00 115.98 2z0r n LEU 72 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.91 2z0r n LEU 72 Cb 0.17 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.01 2z0r n LEU 72 CO 0.00 0.00 0.07 0.00 -1.22 0.00 0.00 177.39 176.24 2z0r n GLN 73 N 0.00 -2.86 -3.61 3.23 1.13 -1.10 -5.02 117.38 109.15 2z0r n GLN 73 Ca 0.00 0.33 -0.39 0.00 -1.94 0.00 0.00 57.00 55.00 2z0r n GLN 73 Cb 0.00 -3.82 -0.11 0.00 0.11 0.00 0.00 30.24 26.42 2z0r n GLN 73 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2z0r s VAL 74 N -3.13 4.87 0.13 5.09 1.01 0.06 -4.59 120.40 123.84 2z0r s VAL 74 Ca 0.12 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 2z0r s VAL 74 Cb -0.05 -3.46 -0.12 0.00 0.00 0.00 0.00 36.38 32.74 2z0r s VAL 74 CO 0.28 0.07 1.37 1.05 0.00 0.00 0.00 175.10 177.88 2z0r h GLU 75 N 8.39 0.74 -3.45 2.72 9.09 -1.73 -3.41 114.58 126.93 2z0r h GLU 75 Ca -0.32 -0.55 -0.08 0.00 0.05 0.00 0.00 59.36 58.46 2z0r h GLU 75 Cb 1.15 0.10 -0.05 0.00 -1.65 0.00 0.00 28.75 28.30 2z0r h GLU 75 CO 0.61 1.17 0.05 0.00 0.05 0.00 0.00 179.01 180.89 2z0r s ALA 76 N -3.84 -0.32 0.00 1.06 0.00 -1.23 0.04 121.76 117.46 2z0r s ALA 76 Ca -0.09 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2z0r s ALA 76 Cb 0.09 0.93 0.00 0.00 0.00 0.00 0.00 23.12 24.14 2z0r s ALA 76 CO 0.89 -0.91 0.00 1.33 0.00 0.00 0.00 175.76 177.06 2z0r n VAL 77 N -0.49 0.00 -3.52 0.00 0.24 -0.15 -2.15 118.33 112.27 2z0r n VAL 77 Ca -0.04 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.21 2z0r n VAL 77 Cb 0.61 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.91 2z0r n VAL 77 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2z0r s VAL 79 N 3.20 -0.76 -1.13 3.34 1.01 0.72 -1.12 120.40 125.66 2z0r s VAL 79 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 2z0r s VAL 79 Cb 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 2z0r s VAL 79 CO 0.00 0.00 0.95 0.47 0.00 0.00 0.00 175.10 176.52 2z0r n ASP 80 N 5.40 -2.43 -4.65 3.32 10.43 -0.18 -4.44 116.55 123.99 2z0r n ASP 80 Ca -0.07 -0.60 -0.42 0.00 2.57 0.00 0.00 54.79 56.27 2z0r n ASP 80 Cb 0.50 -4.92 -0.03 0.00 1.84 0.00 0.00 41.12 38.50 2z0r n ASP 80 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 2z0r s TYR 81 N -3.35 1.74 0.22 1.24 5.04 -1.26 -5.01 117.35 115.97 2z0r s TYR 81 Ca 0.04 0.04 0.08 0.00 -2.44 0.00 0.00 57.07 54.79 2z0r s TYR 81 Cb -0.01 -4.02 -0.05 0.00 0.35 0.00 0.00 41.96 38.23 2z0r s TYR 81 CO 0.70 -4.31 -0.13 -0.98 -1.34 0.00 0.00 175.55 169.48 2z0r s ARG 82 N 4.33 1.36 0.04 4.97 1.70 -1.26 -4.86 118.95 125.23 2z0r s ARG 82 Ca 0.79 -1.62 -0.07 0.00 -0.47 0.00 0.00 55.73 54.36 2z0r s ARG 82 Cb -0.35 -1.14 -0.02 0.00 -0.57 0.00 0.00 34.95 32.87 2z0r s ARG 82 CO 0.33 0.17 0.96 -2.30 -1.08 0.00 0.00 175.30 173.38 2z0r n PRO 83 N -0.41 -0.10 -4.83 3.89 -0.02 -1.26 -4.35 135.00 127.92 2z0r n PRO 83 Ca -0.08 0.95 -0.33 0.00 -2.02 0.00 0.00 63.50 62.03 2z0r n PRO 83 Cb 0.61 -1.42 -0.15 0.00 -0.02 0.00 0.00 33.50 32.52 2z0r n PRO 83 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2z0r s GLY 84 N -1.44 1.49 0.02 -1.23 0.00 -1.26 -5.12 107.32 99.79 2z0r s GLY 84 Ca -0.03 -0.93 -0.07 0.00 0.00 0.00 0.00 44.72 43.70 2z0r s GLY 84 CO 0.14 -0.19 0.13 -1.59 0.00 0.00 0.00 173.10 171.59 2z0r s THR 85 N 0.41 0.10 0.08 0.90 2.01 -1.26 -5.06 115.64 112.82 2z0r s THR 85 Ca -0.12 -0.84 -0.33 0.00 0.31 0.00 0.00 61.69 60.71 2z0r s THR 85 Cb -0.16 -0.62 -0.16 0.00 0.01 0.00 0.00 72.50 71.57 2z0r s THR 85 CO 0.06 -0.46 1.51 0.45 -0.69 0.00 0.00 174.62 175.49 2z0r h HIS 86 N 4.00 -1.29 -4.06 4.92 3.86 -1.99 -3.46 115.15 117.13 2z0r h HIS 86 Ca -0.31 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 58.74 2z0r h HIS 86 Cb 1.19 0.50 -0.11 0.00 1.06 0.00 0.00 27.41 30.05 2z0r h HIS 86 CO 0.57 -0.63 -0.30 1.03 0.86 0.00 0.00 177.93 179.46 2z0r s ARG 87 N -5.61 1.52 -0.06 2.45 0.52 -1.26 -5.17 118.95 111.33 2z0r s ARG 87 Ca -0.16 -1.49 -0.03 0.00 -0.52 0.00 0.00 55.73 53.53 2z0r s ARG 87 Cb 0.04 0.40 -0.04 0.00 0.52 0.00 0.00 34.95 35.87 2z0r s ARG 87 CO 0.55 -0.59 0.10 0.00 0.02 0.00 0.00 175.30 175.38 2z0r s ALA 88 N -3.86 3.69 -0.76 2.13 0.00 -1.26 -5.05 121.76 116.65 2z0r s ALA 88 Ca 0.30 -0.76 -0.20 0.00 0.00 0.00 0.00 51.96 51.29 2z0r s ALA 88 Cb 0.02 -1.75 0.10 0.00 0.00 0.00 0.00 23.12 21.50 2z0r s ALA 88 CO 0.13 0.65 0.98 -0.65 0.00 0.00 0.00 175.76 176.87 2z0r s GLN 89 N -1.35 3.30 -0.46 0.00 -0.21 -1.26 -4.99 119.66 114.69 2z0r s GLN 89 Ca 0.19 -1.32 -0.17 0.00 0.02 0.00 0.00 55.36 54.08 2z0r s GLN 89 Cb -0.12 -4.52 0.05 0.00 1.00 0.00 0.00 33.01 29.42 2z0r s GLN 89 CO 0.09 -1.74 0.45 0.08 -2.12 0.00 0.00 175.29 172.05 2z0r s VAL 90 N 3.20 5.11 -0.17 1.09 1.01 -1.26 -0.20 120.40 129.18 2z0r s VAL 90 Ca 0.24 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 2z0r s VAL 90 Cb -0.13 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 2z0r s VAL 90 CO 0.01 -0.56 0.16 0.00 0.00 0.00 0.00 175.10 174.71 2z0r s ALA 91 N 2.03 3.73 0.23 5.51 0.00 -0.27 -4.91 121.76 128.08 2z0r s ALA 91 Ca 0.09 -0.63 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 2z0r s ALA 91 Cb -0.20 -2.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.68 2z0r s ALA 91 CO 0.10 0.29 1.25 0.50 0.00 0.00 0.00 175.76 177.91 2z0r s ARG 92 N -0.07 4.44 0.19 0.00 3.52 -1.26 -0.98 118.95 124.78 2z0r s ARG 92 Ca 0.11 2.00 -0.08 0.00 -0.13 0.00 0.00 55.73 57.64 2z0r s ARG 92 Cb -0.12 -3.18 0.09 0.00 -1.56 0.00 0.00 34.95 30.18 2z0r s ARG 92 CO 0.01 -0.14 1.62 0.28 -0.81 0.00 0.00 175.30 176.27 2z0r h VAL 93 N 3.53 1.27 -0.35 7.11 2.07 -0.67 -1.77 116.25 127.44 2z0r h VAL 93 Ca -0.46 -1.24 0.02 0.00 0.82 0.00 0.00 66.70 65.85 2z0r h VAL 93 Cb 1.22 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2z0r h VAL 93 CO 0.73 0.44 0.19 0.11 0.02 0.00 0.00 177.57 179.06 2z0r h LYS 94 N 0.89 0.38 0.00 1.57 1.57 -1.91 -1.26 116.57 117.81 2z0r h LYS 94 Ca 0.14 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2z0r h LYS 94 Cb 0.65 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2z0r h LYS 94 CO 0.04 0.25 -0.25 -0.44 -0.57 0.00 0.00 179.45 178.49 2z0r h ASP 95 N 0.39 0.00 0.64 0.86 3.32 -1.90 -2.19 116.42 117.54 2z0r h ASP 95 Ca 0.14 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.01 2z0r h ASP 95 Cb 0.02 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2z0r h ASP 95 CO -0.08 0.25 -0.82 -0.07 -1.72 0.00 0.00 179.24 176.80 2z0r h LEU 96 N 0.00 0.17 0.15 1.55 3.38 -0.68 -3.10 115.31 116.77 2z0r h LEU 96 Ca -0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2z0r h LEU 96 Cb 0.50 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2z0r h LEU 96 CO 0.03 0.91 -0.07 0.25 0.09 0.00 0.00 178.44 179.65 2z0r h LEU 97 N 0.08 -0.17 -0.52 1.67 6.46 -0.73 -2.79 115.31 119.30 2z0r h LEU 97 Ca -0.03 -0.27 0.10 0.00 -0.12 0.00 0.00 57.88 57.56 2z0r h LEU 97 Cb 1.43 0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 41.32 2z0r h LEU 97 CO 0.12 0.20 0.04 -0.33 -0.62 0.00 0.00 178.44 177.85 2z0r h GLU 98 N -0.57 0.16 -0.07 1.25 5.08 -1.49 0.53 114.58 119.48 2z0r h GLU 98 Ca -0.02 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2z0r h GLU 98 Cb 0.43 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2z0r h GLU 98 CO 0.03 0.10 -0.05 0.93 -1.00 0.00 0.00 179.01 179.03 2z0r h GLU 99 N 0.16 -0.05 -0.11 2.33 5.08 -1.57 -2.77 114.58 117.64 2z0r h GLU 99 Ca 0.27 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.54 2z0r h GLU 99 Cb 0.40 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2z0r h GLU 99 CO -0.40 -0.04 -0.32 0.28 -1.00 0.00 0.00 179.01 177.53 2z0r h VAL 100 N -0.06 1.27 0.00 3.13 2.07 -1.17 -3.52 116.25 117.97 2z0r h VAL 100 Ca 0.04 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2z0r h VAL 100 Cb 0.12 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2z0r h VAL 100 CO -0.10 0.38 0.00 0.54 0.02 0.00 0.00 177.57 178.41