#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edp s SER 2 N 0.00 -0.37 0.20 1.61 0.15 -1.26 -5.06 113.70 108.98 2edp s SER 2 Ca 0.00 0.58 -0.22 0.00 0.70 0.00 0.00 55.95 57.01 2edp s SER 2 Cb 0.00 0.65 0.13 0.00 -1.71 0.00 0.00 66.02 65.09 2edp s SER 2 CO 0.00 -0.27 1.55 0.28 1.20 0.00 0.00 173.24 176.00 2edp h SER 3 N 4.82 -1.70 -3.85 5.45 0.02 -2.11 -3.47 113.55 112.70 2edp h SER 3 Ca -0.28 0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2edp h SER 3 Cb 1.18 0.83 0.00 0.00 0.14 0.00 0.00 62.40 64.55 2edp h SER 3 CO 0.31 -0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 2edp n GLY 4 N -1.39 2.94 3.22 -3.77 0.00 -1.26 -5.10 105.19 99.83 2edp n GLY 4 Ca 0.07 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 2edp n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edp s SER 5 N 0.00 3.32 -0.13 1.61 0.01 -1.26 -5.02 113.70 112.24 2edp s SER 5 Ca 0.00 -0.54 -0.20 0.00 1.31 0.00 0.00 55.95 56.53 2edp s SER 5 Cb 0.00 -1.48 -0.26 0.00 0.21 0.00 0.00 66.02 64.49 2edp s SER 5 CO 0.00 0.11 0.55 0.77 0.41 0.00 0.00 173.24 175.08 2edp h SER 6 N 7.12 0.25 0.00 2.44 4.64 -1.99 -3.51 113.55 122.50 2edp h SER 6 Ca -0.29 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.22 2edp h SER 6 Cb 1.20 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2edp h SER 6 CO 0.54 1.47 0.00 0.61 -0.87 0.00 0.00 176.83 178.58 2edp n GLY 7 N 1.65 0.17 2.86 -0.77 0.00 -1.26 -4.99 105.19 102.85 2edp n GLY 7 Ca -0.23 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 2edp n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2edp s GLY 8 N 0.00 -0.35 0.12 -0.02 0.00 -1.26 -4.96 107.32 100.84 2edp s GLY 8 Ca 0.00 0.32 -0.14 0.00 0.00 0.00 0.00 44.72 44.90 2edp s GLY 8 CO 0.00 2.73 0.35 -0.56 0.00 0.00 0.00 173.10 175.62 2edp s SER 9 N 2.48 -0.14 0.11 1.64 0.01 -1.26 -5.14 113.70 111.39 2edp s SER 9 Ca 0.10 -0.40 0.04 0.00 1.31 0.00 0.00 55.95 57.00 2edp s SER 9 Cb -0.14 0.44 -0.04 0.00 0.21 0.00 0.00 66.02 66.49 2edp s SER 9 CO -0.24 -0.82 -0.11 -0.36 0.41 0.00 0.00 173.24 172.12 2edp s PHE 10 N -3.82 1.14 -0.10 2.43 0.40 -1.26 -3.63 117.98 113.14 2edp s PHE 10 Ca 0.03 -0.65 -0.01 0.00 -0.60 0.00 0.00 56.93 55.71 2edp s PHE 10 Cb 0.03 -0.61 -0.03 0.00 0.51 0.00 0.00 43.02 42.91 2edp s PHE 10 CO -0.12 0.03 -0.06 -1.14 0.70 0.00 0.00 175.22 174.63 2edp s GLN 11 N -2.85 3.05 -0.33 0.44 2.00 -0.74 -4.92 119.66 116.31 2edp s GLN 11 Ca 0.07 -0.54 -0.12 0.00 -2.00 0.00 0.00 55.36 52.77 2edp s GLN 11 Cb -0.03 -2.69 -0.01 0.00 0.80 0.00 0.00 33.01 31.08 2edp s GLN 11 CO 0.01 0.52 0.20 0.71 -0.50 0.00 0.00 175.29 176.23 2edp s TYR 12 N -0.42 3.21 -0.55 1.67 1.51 -1.26 -0.53 117.35 120.98 2edp s TYR 12 Ca 0.06 -0.39 -0.15 0.00 -1.01 0.00 0.00 57.07 55.59 2edp s TYR 12 Cb -0.12 -2.43 0.13 0.00 -0.11 0.00 0.00 41.96 39.43 2edp s TYR 12 CO 0.02 -0.41 0.49 0.08 -1.11 0.00 0.00 175.55 174.62 2edp s VAL 13 N 1.67 5.05 -0.70 0.71 1.01 0.12 -4.89 120.40 123.38 2edp s VAL 13 Ca 0.05 -1.62 -0.26 0.00 0.00 0.00 0.00 61.98 60.15 2edp s VAL 13 Cb -0.17 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 2edp s VAL 13 CO 0.09 -0.86 1.89 -2.16 0.00 0.00 0.00 175.10 174.05 2edp s PRO 14 N 1.45 2.60 -0.64 2.72 0.04 -1.26 -2.92 135.00 137.00 2edp s PRO 14 Ca 0.05 0.35 -0.28 0.00 0.04 0.00 0.00 61.00 61.16 2edp s PRO 14 Cb -0.28 -4.58 0.02 0.00 0.04 0.00 0.00 34.50 29.70 2edp s PRO 14 CO 0.02 -2.92 1.30 0.08 0.04 0.00 0.00 177.00 175.51 2edp s VAL 15 N 9.38 3.83 -0.48 -0.36 1.01 0.45 -4.86 120.40 129.37 2edp s VAL 15 Ca 0.68 0.64 -0.18 0.00 0.00 0.00 0.00 61.98 63.12 2edp s VAL 15 Cb -0.11 -4.71 0.06 0.00 0.00 0.00 0.00 36.38 31.62 2edp s VAL 15 CO 0.14 -1.49 0.52 -1.58 0.00 0.00 0.00 175.10 172.69 2edp s GLN 16 N 5.45 3.07 0.63 2.72 0.74 -1.26 -1.66 119.66 129.35 2edp s GLN 16 Ca 0.43 -1.04 -0.06 0.00 0.05 0.00 0.00 55.36 54.73 2edp s GLN 16 Cb -0.08 -4.10 0.02 0.00 1.10 0.00 0.00 33.01 29.95 2edp s GLN 16 CO 0.21 -1.11 0.94 -0.51 -0.55 0.00 0.00 175.29 174.27 2edp s LEU 17 N 2.22 3.11 -0.19 3.68 1.43 0.14 -4.91 118.68 124.15 2edp s LEU 17 Ca 0.11 0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 53.75 2edp s LEU 17 Cb -0.21 -3.45 0.06 0.00 0.03 0.00 0.00 46.19 42.62 2edp s LEU 17 CO 0.10 -1.22 0.47 -1.10 0.23 0.00 0.00 176.35 174.84 2edp s GLN 18 N -5.08 0.48 0.00 1.70 -0.21 -1.26 -2.58 119.66 112.72 2edp s GLN 18 Ca 0.56 0.83 0.00 0.00 0.02 0.00 0.00 55.36 56.77 2edp s GLN 18 Cb -0.11 0.07 0.00 0.00 1.00 0.00 0.00 33.01 33.98 2edp s GLN 18 CO 0.45 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.90 2edp n GLY 19 N 3.93 2.66 0.00 3.09 0.00 0.20 -4.97 105.19 110.10 2edp n GLY 19 Ca -0.20 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2edp n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2edp n GLY 20 N 0.00 2.30 3.35 -0.02 0.00 0.26 -4.71 105.19 106.36 2edp n GLY 20 Ca 0.00 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 2edp n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edp n ALA 21 N 1.73 -3.45 -2.19 4.61 0.00 -1.26 -4.52 120.51 115.43 2edp n ALA 21 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 53.44 51.99 2edp n ALA 21 Cb 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 2edp n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2edp s PRO 22 N -3.61 4.29 -0.05 0.00 0.04 -1.26 -5.11 135.00 129.31 2edp s PRO 22 Ca 0.58 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 63.38 2edp s PRO 22 Cb -0.16 -3.45 -0.22 0.00 0.04 0.00 0.00 34.50 30.71 2edp s PRO 22 CO 0.66 -0.53 1.15 -1.49 0.04 0.00 0.00 177.00 176.84 2edp h TRP 23 N 7.48 0.02 0.00 0.56 4.06 -1.98 -3.37 115.95 122.71 2edp h TRP 23 Ca -0.40 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.54 2edp h TRP 23 Cb 1.19 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 2edp h TRP 23 CO 0.72 0.62 0.00 0.41 -3.56 0.00 0.00 178.44 176.63 2edp n GLY 24 N 0.55 0.80 3.08 1.49 0.00 -1.26 0.11 105.19 109.96 2edp n GLY 24 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2edp n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2edp s PHE 25 N -1.54 -0.29 0.37 1.61 -0.12 -1.26 0.30 117.98 117.05 2edp s PHE 25 Ca 0.00 0.71 0.04 0.00 -0.05 0.00 0.00 56.93 57.62 2edp s PHE 25 Cb 0.00 0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.41 2edp s PHE 25 CO 0.00 -0.18 0.07 0.95 -0.05 0.00 0.00 175.22 176.01 2edp s THR 26 N 0.74 1.08 0.23 -4.49 -4.23 0.11 -4.99 115.64 104.09 2edp s THR 26 Ca -0.05 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 2edp s THR 26 Cb -0.06 -2.62 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 2edp s THR 26 CO -0.04 0.00 0.02 -0.76 -0.54 0.00 0.00 174.62 173.30 2edp s LEU 27 N -3.58 2.07 0.17 4.79 1.43 -1.26 -1.10 118.68 121.20 2edp s LEU 27 Ca 0.30 -1.25 -0.06 0.00 -1.03 0.00 0.00 54.13 52.08 2edp s LEU 27 Cb 0.06 -0.18 -0.02 0.00 0.03 0.00 0.00 46.19 46.08 2edp s LEU 27 CO 0.14 -0.57 0.21 -1.59 0.23 0.00 0.00 176.35 174.78 2edp s LYS 28 N -3.91 1.14 5.77 1.70 -2.85 -0.12 -4.50 119.74 116.97 2edp s LYS 28 Ca 0.30 -1.33 0.00 0.00 -1.00 0.00 0.00 55.97 53.94 2edp s LYS 28 Cb 0.06 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 2edp s LYS 28 CO 0.09 -0.39 0.00 0.41 0.10 0.00 0.00 175.35 175.56 2edp n GLY 29 N -0.20 1.19 0.00 0.59 0.00 -1.26 -2.93 105.19 102.57 2edp n GLY 29 Ca -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2edp n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2edp n GLY 30 N 0.00 2.19 0.37 -0.02 0.00 0.14 -4.69 105.19 103.17 2edp n GLY 30 Ca 0.00 -2.08 0.04 0.00 0.00 0.00 0.00 46.02 43.98 2edp n GLY 30 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2edp h LEU 31 N 0.00 0.93 -0.90 0.99 8.10 -1.42 0.28 115.31 123.30 2edp h LEU 31 Ca 0.00 0.01 0.25 0.00 0.11 0.00 0.00 57.88 58.25 2edp h LEU 31 Cb 0.00 -0.19 -0.15 0.00 -0.44 0.00 0.00 40.66 39.88 2edp h LEU 31 CO 0.00 0.59 0.16 -0.33 -4.11 0.00 0.00 178.44 174.75 2edp h GLU 32 N 1.05 0.12 -1.11 0.17 4.39 -1.86 0.22 114.58 117.57 2edp h GLU 32 Ca 0.41 -0.01 -0.63 0.00 0.34 0.00 0.00 59.36 59.47 2edp h GLU 32 Cb 0.23 -0.03 -0.36 0.00 -0.10 0.00 0.00 28.75 28.49 2edp h GLU 32 CO -0.16 0.08 0.02 0.72 -1.16 0.00 0.00 179.01 178.50 2edp n HIS 33 N -5.32 3.04 -3.71 4.33 8.25 -0.83 -4.92 115.22 116.06 2edp n HIS 33 Ca 0.22 -2.64 -0.29 0.00 -0.26 0.00 0.00 57.72 54.74 2edp n HIS 33 Cb 0.71 -0.79 -0.06 0.00 1.12 0.00 0.00 29.99 30.96 2edp n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2edp s GLU 35 N -5.63 1.19 -0.06 0.00 0.41 0.93 -4.98 118.70 110.57 2edp s GLU 35 Ca 0.48 -0.82 -0.30 0.00 -0.41 0.00 0.00 54.97 53.92 2edp s GLU 35 Cb -0.28 -1.24 -0.05 0.00 -1.78 0.00 0.00 34.13 30.78 2edp s GLU 35 CO 0.73 0.32 1.50 -1.25 -0.49 0.00 0.00 175.26 176.07 2edp s PRO 36 N -1.06 4.22 -0.80 0.39 0.04 -1.26 0.23 135.00 136.76 2edp s PRO 36 Ca 0.05 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 62.85 2edp s PRO 36 Cb -0.08 -3.81 -0.09 0.00 0.04 0.00 0.00 34.50 30.55 2edp s PRO 36 CO 0.01 -0.74 2.20 -1.17 0.04 0.00 0.00 177.00 177.34 2edp s LEU 37 N 3.45 3.05 0.36 -3.56 2.96 -1.26 -4.22 118.68 119.45 2edp s LEU 37 Ca 0.67 -0.12 0.09 0.00 -0.22 0.00 0.00 54.13 54.54 2edp s LEU 37 Cb -0.30 -2.55 -0.06 0.00 0.50 0.00 0.00 46.19 43.78 2edp s LEU 37 CO 0.25 -3.28 0.03 0.42 -1.32 0.00 0.00 176.35 172.45 2edp s THR 38 N 12.47 2.51 0.21 3.68 -4.23 -1.15 -2.40 115.64 126.74 2edp s THR 38 Ca 0.83 -1.94 -0.32 0.00 -1.18 0.00 0.00 61.69 59.08 2edp s THR 38 Cb -0.11 -2.84 -0.12 0.00 1.34 0.00 0.00 72.50 70.77 2edp s THR 38 CO 0.07 -0.15 1.70 0.52 -0.54 0.00 0.00 174.62 176.22 2edp n VAL 39 N -0.99 0.06 -0.10 2.29 0.31 0.04 -0.95 118.33 118.99 2edp n VAL 39 Ca -0.04 -0.02 -0.21 0.00 -0.01 0.00 0.00 64.34 64.07 2edp n VAL 39 Cb 0.63 -1.94 -0.12 0.00 -0.91 0.00 0.00 33.84 31.50 2edp n VAL 39 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2edp n SER 40 N 3.80 2.00 -3.55 4.52 3.41 -0.26 -3.54 113.62 120.01 2edp n SER 40 Ca 0.16 0.03 -0.17 0.00 -0.26 0.00 0.00 58.87 58.63 2edp n SER 40 Cb 0.34 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.64 2edp n SER 40 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2edp s LYS 41 N -2.52 1.00 -0.24 4.33 2.36 -1.24 -4.96 119.74 118.47 2edp s LYS 41 Ca -0.33 0.31 -0.02 0.00 -2.55 0.00 0.00 55.97 53.37 2edp s LYS 41 Cb 0.09 0.47 0.08 0.00 -1.05 0.00 0.00 37.83 37.42 2edp s LYS 41 CO 0.62 -0.29 0.06 0.42 1.55 0.00 0.00 175.35 177.71 2edp s ILE 42 N -1.02 0.55 -0.46 5.43 1.01 -1.26 0.08 121.20 125.53 2edp s ILE 42 Ca -0.10 -0.81 -0.44 0.00 0.00 0.00 0.00 60.65 59.30 2edp s ILE 42 Cb -0.01 -1.20 -0.18 0.00 0.01 0.00 0.00 42.46 41.08 2edp s ILE 42 CO 0.09 -0.40 1.93 -0.62 0.00 0.00 0.00 174.94 175.94 2edp n GLU 43 N 5.02 0.23 -1.91 2.79 -0.58 0.15 -4.75 120.64 121.58 2edp n GLU 43 Ca -0.07 0.07 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 2edp n GLU 43 Cb 0.45 -1.66 -0.04 0.00 -0.57 0.00 0.00 31.44 29.62 2edp n GLU 43 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2edp s ASP 44 N 4.94 4.90 0.00 1.62 1.01 -1.26 -1.97 116.67 125.91 2edp s ASP 44 Ca 1.12 -0.04 0.00 0.00 0.71 0.00 0.00 52.55 54.34 2edp s ASP 44 Cb -1.39 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 40.00 2edp s ASP 44 CO 0.69 -2.82 0.00 0.61 0.21 0.00 0.00 175.17 173.86 2edp n GLY 45 N 6.38 1.24 0.00 0.21 0.00 -1.26 -5.07 105.19 106.69 2edp n GLY 45 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2edp n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2edp n GLY 46 N 0.00 -2.81 0.38 -0.02 0.00 -0.83 -4.44 105.19 97.46 2edp n GLY 46 Ca 0.00 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.51 2edp n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2edp h LYS 47 N 0.00 -0.91 -0.96 1.61 1.79 0.60 0.57 116.57 119.27 2edp h LYS 47 Ca 0.00 0.06 0.15 0.00 -2.18 0.00 0.00 60.65 58.69 2edp h LYS 47 Cb 0.00 0.21 -0.16 0.00 -1.58 0.00 0.00 32.23 30.70 2edp h LYS 47 CO 0.00 -0.61 -0.36 0.00 -1.08 0.00 0.00 179.45 177.40 2edp n ALA 48 N -2.49 -0.08 0.46 3.86 0.00 -0.75 -0.09 120.51 121.42 2edp n ALA 48 Ca -0.12 0.97 -0.18 0.00 0.00 0.00 0.00 53.44 54.11 2edp n ALA 48 Cb 0.37 -0.45 -0.09 0.00 0.00 0.00 0.00 19.45 19.29 2edp n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2edp h ALA 49 N 1.39 -1.18 -1.03 0.00 0.00 -1.74 -2.81 119.26 113.90 2edp h ALA 49 Ca 0.35 -0.26 0.34 0.00 0.00 0.00 0.00 54.91 55.33 2edp h ALA 49 Cb 0.59 0.46 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 2edp h ALA 49 CO -0.96 -1.10 0.60 -0.07 0.00 0.00 0.00 179.25 177.72 2edp h LEU 50 N -1.31 0.48 -0.74 0.00 3.38 0.48 0.63 115.31 118.23 2edp h LEU 50 Ca -0.12 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2edp h LEU 50 Cb 0.91 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 2edp h LEU 50 CO 0.20 -0.15 0.43 0.28 0.09 0.00 0.00 178.44 179.29 2edp h SER 51 N 0.29 0.90 -3.91 -0.43 0.02 -0.32 -3.47 113.55 106.63 2edp h SER 51 Ca 0.74 -0.08 -0.35 0.00 -0.84 0.00 0.00 61.79 61.27 2edp h SER 51 Cb 1.78 -0.23 0.05 0.00 0.14 0.00 0.00 62.40 64.14 2edp h SER 51 CO -0.59 0.71 -0.52 0.00 -1.14 0.00 0.00 176.83 175.29 2edp n GLN 52 N -4.49 -4.25 -0.10 3.45 6.02 0.22 -4.90 117.38 113.32 2edp n GLN 52 Ca 0.07 0.79 -0.12 0.00 -0.01 0.00 0.00 57.00 57.72 2edp n GLN 52 Cb 0.07 -5.38 -0.13 0.00 1.02 0.00 0.00 30.24 25.82 2edp n GLN 52 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2edp n LYS 53 N -3.58 0.85 -4.35 -1.09 4.76 -1.26 -5.03 118.16 108.46 2edp n LYS 53 Ca -0.10 0.05 -0.18 0.00 -2.87 0.00 0.00 58.31 55.21 2edp n LYS 53 Cb 0.60 -1.47 -0.10 0.00 -1.84 0.00 0.00 35.03 32.22 2edp n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2edp s MET 54 N -2.45 1.40 0.18 1.97 0.23 -1.26 -4.92 119.30 114.45 2edp s MET 54 Ca -0.18 -1.73 -0.15 0.00 -1.03 0.00 0.00 55.69 52.60 2edp s MET 54 Cb 0.06 -0.62 0.02 0.00 -1.53 0.00 0.00 34.83 32.77 2edp s MET 54 CO 0.67 -0.13 0.46 0.50 -2.03 0.00 0.00 175.02 174.48 2edp s ARG 55 N -3.89 1.31 -0.42 3.16 3.52 -1.26 -4.87 118.95 116.51 2edp s ARG 55 Ca 0.31 -0.94 -0.30 0.00 -0.13 0.00 0.00 55.73 54.67 2edp s ARG 55 Cb 0.06 0.48 -0.09 0.00 -1.56 0.00 0.00 34.95 33.84 2edp s ARG 55 CO 0.10 -0.54 2.32 0.25 -0.81 0.00 0.00 175.30 176.63 2edp n THR 56 N -0.30 0.13 0.00 4.11 -2.24 -1.26 -2.30 114.28 112.42 2edp n THR 56 Ca -0.10 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2edp n THR 56 Cb 0.63 -2.13 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 2edp n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2edp n GLY 57 N 6.18 0.68 3.88 3.38 0.00 -1.23 -4.99 105.19 113.09 2edp n GLY 57 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 2edp n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2edp s ASP 58 N 0.00 6.13 -0.37 1.61 1.11 -0.97 -4.79 116.67 119.40 2edp s ASP 58 Ca 0.00 1.23 -0.06 0.00 0.18 0.00 0.00 52.55 53.90 2edp s ASP 58 Cb 0.00 -2.33 0.06 0.00 1.07 0.00 0.00 42.92 41.72 2edp s ASP 58 CO 0.00 -0.85 0.15 -0.70 1.18 0.00 0.00 175.17 174.95 2edp s GLU 59 N -5.08 2.52 -0.21 8.23 2.12 -1.19 -0.78 118.70 124.32 2edp s GLU 59 Ca 0.53 -1.34 -0.22 0.00 0.36 0.00 0.00 54.97 54.30 2edp s GLU 59 Cb -0.11 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.72 2edp s GLU 59 CO 0.51 -0.79 0.71 -1.17 -0.54 0.00 0.00 175.26 173.98 2edp s LEU 60 N 1.36 4.13 0.00 2.70 0.20 -1.01 -1.99 118.68 124.07 2edp s LEU 60 Ca 0.01 0.93 0.00 0.00 0.69 0.00 0.00 54.13 55.76 2edp s LEU 60 Cb -0.21 -3.02 0.00 0.00 -0.43 0.00 0.00 46.19 42.53 2edp s LEU 60 CO 0.01 -0.36 0.00 1.33 -0.29 0.00 0.00 176.35 177.04 2edp n VAL 61 N 4.88 0.00 -4.15 1.68 0.24 -1.21 -4.83 118.33 114.93 2edp n VAL 61 Ca 0.01 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.97 2edp n VAL 61 Cb 0.49 -0.63 -0.14 0.00 -1.47 0.00 0.00 33.84 32.09 2edp n VAL 61 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2edp s ASN 62 N -2.69 4.17 -0.11 -1.34 3.84 -1.23 -0.48 114.94 117.09 2edp s ASN 62 Ca 0.00 -0.38 0.02 0.00 0.21 0.00 0.00 52.86 52.71 2edp s ASN 62 Cb 0.00 -1.69 0.01 0.00 -0.55 0.00 0.00 41.25 39.02 2edp s ASN 62 CO 0.00 0.04 -0.16 -0.63 -2.79 0.00 0.00 177.10 173.55 2edp s ILE 63 N 1.13 1.58 -1.68 -5.21 1.01 -0.65 -1.79 121.20 115.59 2edp s ILE 63 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2edp s ILE 63 Cb -0.14 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.89 2edp s ILE 63 CO -0.02 0.46 0.00 0.59 0.00 0.00 0.00 174.94 175.97 2edp n ASN 64 N 4.12 -4.89 0.00 3.58 3.02 0.35 -0.51 115.26 120.93 2edp n ASN 64 Ca -0.19 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2edp n ASN 64 Cb 0.51 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.45 2edp n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2edp n GLY 65 N -0.63 0.53 3.15 7.41 0.00 -1.15 -4.86 105.19 109.64 2edp n GLY 65 Ca -0.19 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 2edp n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2edp s THR 66 N -2.00 2.14 0.05 2.61 2.01 0.33 -5.10 115.64 115.68 2edp s THR 66 Ca 0.00 -0.92 -0.31 0.00 0.31 0.00 0.00 61.69 60.77 2edp s THR 66 Cb 0.00 -1.89 -0.07 0.00 0.01 0.00 0.00 72.50 70.55 2edp s THR 66 CO 0.00 0.54 1.40 -2.16 -0.69 0.00 0.00 174.62 173.71 2edp s PRO 67 N 1.16 4.30 -0.23 4.92 0.04 -1.26 -1.64 135.00 142.29 2edp s PRO 67 Ca 0.02 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 63.00 2edp s PRO 67 Cb -0.14 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 2edp s PRO 67 CO -0.09 -0.51 0.09 -0.51 0.04 0.00 0.00 177.00 176.01 2edp s LEU 68 N 1.83 3.71 0.35 -3.56 1.43 0.37 -4.96 118.68 117.85 2edp s LEU 68 Ca 0.65 -0.05 0.25 0.00 -1.03 0.00 0.00 54.13 53.95 2edp s LEU 68 Cb -0.34 -1.98 1.26 0.00 0.03 0.00 0.00 46.19 45.16 2edp s LEU 68 CO 0.29 0.05 1.77 1.88 0.23 0.00 0.00 176.35 180.57 2edp h TYR 69 N 7.60 0.00 0.00 0.29 0.05 -1.95 -3.44 116.97 119.51 2edp h TYR 69 Ca -0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.41 2edp h TYR 69 Cb 1.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.91 2edp h TYR 69 CO 0.64 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.16 2edp n GLY 70 N -0.78 0.62 3.67 3.88 0.00 -1.26 -5.02 105.19 106.30 2edp n GLY 70 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2edp n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edp s SER 71 N -0.62 2.94 -0.13 1.61 0.01 -1.26 -2.54 113.70 113.71 2edp s SER 71 Ca 0.00 2.21 -0.10 0.00 1.31 0.00 0.00 55.95 59.37 2edp s SER 71 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 2edp s SER 71 CO 0.00 -3.09 -0.20 -1.14 0.41 0.00 0.00 173.24 169.22 2edp n ARG 72 N -4.17 0.40 -0.06 12.44 3.00 -1.26 -4.31 116.66 122.70 2edp n ARG 72 Ca 0.12 0.38 -0.14 0.00 -0.00 0.00 0.00 57.85 58.21 2edp n ARG 72 Cb 0.52 -1.45 -0.09 0.00 0.00 0.00 0.00 32.46 31.43 2edp n ARG 72 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2edp h GLN 73 N -0.84 -0.46 -0.69 -0.14 7.50 -1.98 -1.37 115.11 117.14 2edp h GLN 73 Ca 0.00 0.03 0.13 0.00 0.50 0.00 0.00 58.65 59.31 2edp h GLN 73 Cb 0.57 0.10 -0.13 0.00 0.05 0.00 0.00 27.48 28.08 2edp h GLN 73 CO 0.00 -0.31 -0.19 -1.91 -1.50 0.00 0.00 178.83 174.92 2edp n GLU 74 N -5.24 -0.08 0.00 1.46 2.13 -1.26 -0.09 120.64 117.56 2edp n GLU 74 Ca -0.05 1.07 0.00 0.00 0.66 0.00 0.00 57.16 58.84 2edp n GLU 74 Cb 0.34 -1.60 0.00 0.00 0.27 0.00 0.00 31.44 30.45 2edp n GLU 74 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2edp n ALA 75 N -3.73 -0.15 -0.29 4.31 0.00 -0.53 -0.01 120.51 120.11 2edp n ALA 75 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.58 2edp n ALA 75 Cb 0.33 0.10 0.11 0.00 0.00 0.00 0.00 19.45 19.99 2edp n ALA 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2edp h LEU 76 N 0.00 -0.74 -1.04 0.00 3.38 -1.14 0.59 115.31 116.36 2edp h LEU 76 Ca 0.00 0.25 0.10 0.00 0.09 0.00 0.00 57.88 58.32 2edp h LEU 76 Cb 0.00 0.50 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 2edp h LEU 76 CO 0.00 -0.27 0.63 0.40 0.09 0.00 0.00 178.44 179.29 2edp h ILE 77 N 0.00 0.96 -0.08 1.22 2.04 -0.42 -2.09 117.51 119.14 2edp h ILE 77 Ca 0.40 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 2edp h ILE 77 Cb 0.62 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2edp h ILE 77 CO -0.84 0.19 0.05 0.25 0.00 0.00 0.00 178.15 177.80 2edp h LEU 78 N 1.02 0.10 -0.91 1.44 5.85 0.39 -2.67 115.31 120.54 2edp h LEU 78 Ca 0.47 -0.04 0.21 0.00 0.84 0.00 0.00 57.88 59.36 2edp h LEU 78 Cb 0.41 -0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.30 2edp h LEU 78 CO -0.23 0.11 0.44 0.40 -0.34 0.00 0.00 178.44 178.82 2edp h ILE 79 N 0.08 0.54 -1.17 4.05 2.04 -0.66 0.16 117.51 122.55 2edp h ILE 79 Ca 0.03 -0.17 0.35 0.00 1.00 0.00 0.00 64.86 66.08 2edp h ILE 79 Cb 0.03 0.01 -0.11 0.00 -0.74 0.00 0.00 36.82 36.00 2edp h ILE 79 CO -0.01 0.09 0.75 0.11 0.00 0.00 0.00 178.15 179.09 2edp h LYS 80 N 0.49 0.23 -0.10 2.37 1.57 -1.29 0.92 116.57 120.75 2edp h LYS 80 Ca 0.56 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.26 2edp h LYS 80 Cb 1.01 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 2edp h LYS 80 CO -0.48 0.15 -0.21 0.78 -0.57 0.00 0.00 179.45 179.12 2edp h GLY 81 N 0.23 0.19 -2.72 3.86 0.00 -0.78 -3.45 103.07 100.40 2edp h GLY 81 Ca 0.72 -0.13 -0.40 0.00 0.00 0.00 0.00 47.33 47.52 2edp h GLY 81 CO -0.38 0.12 -0.72 -1.14 0.00 0.00 0.00 176.54 174.41 2edp n SER 82 N -4.22 -2.27 0.00 0.19 3.41 0.32 -4.95 113.62 106.10 2edp n SER 82 Ca -0.01 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 2edp n SER 82 Cb 0.31 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 2edp n SER 82 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2edp n PHE 83 N -0.90 0.00 0.00 7.33 3.72 -1.26 -4.93 117.46 121.42 2edp n PHE 83 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2edp n PHE 83 Cb 0.30 0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 2edp n PHE 83 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2edp n ARG 84 N -2.29 0.00 -4.96 -1.08 0.63 -1.26 -4.36 116.66 103.34 2edp n ARG 84 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 2edp n ARG 84 Cb 0.00 -0.69 -0.14 0.00 0.45 0.00 0.00 32.46 32.09 2edp n ARG 84 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2edp s ILE 85 N -1.68 2.83 0.03 5.15 1.01 -1.26 0.90 121.20 128.17 2edp s ILE 85 Ca 0.00 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.88 2edp s ILE 85 Cb 0.00 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 2edp s ILE 85 CO 0.00 0.57 -0.23 -0.22 0.00 0.00 0.00 174.94 175.06 2edp s LEU 86 N -0.76 2.13 -0.22 2.97 2.96 -1.06 -4.96 118.68 119.74 2edp s LEU 86 Ca 0.11 -0.51 -0.00 0.00 -0.22 0.00 0.00 54.13 53.51 2edp s LEU 86 Cb -0.10 -1.10 0.06 0.00 0.50 0.00 0.00 46.19 45.54 2edp s LEU 86 CO 0.01 0.22 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.68 2edp s LYS 87 N -1.02 1.38 0.02 1.98 1.02 -1.26 0.23 119.74 122.09 2edp s LYS 87 Ca 0.09 -0.83 0.07 0.00 0.02 0.00 0.00 55.97 55.32 2edp s LYS 87 Cb -0.09 -2.45 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 2edp s LYS 87 CO 0.01 -0.60 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.13 2edp s LEU 88 N 1.52 2.13 -0.26 3.17 1.43 -0.66 0.13 118.68 126.13 2edp s LEU 88 Ca -0.04 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2edp s LEU 88 Cb -0.18 -0.98 0.07 0.00 0.03 0.00 0.00 46.19 45.13 2edp s LEU 88 CO -0.07 0.18 -0.06 -0.63 0.23 0.00 0.00 176.35 176.01 2edp s ILE 89 N -0.70 1.91 0.03 -0.59 1.09 -0.74 0.17 121.20 122.38 2edp s ILE 89 Ca 0.07 -1.59 0.02 0.00 -1.10 0.00 0.00 60.65 58.06 2edp s ILE 89 Cb -0.08 -2.15 -0.04 0.00 -1.06 0.00 0.00 42.46 39.13 2edp s ILE 89 CO 0.01 -0.16 0.03 0.68 -0.10 0.00 0.00 174.94 175.39 2edp s VAL 90 N 1.19 4.27 -0.16 2.92 -7.23 -1.15 -3.35 120.40 116.90 2edp s VAL 90 Ca -0.04 -0.70 -0.05 0.00 -1.81 0.00 0.00 61.98 59.38 2edp s VAL 90 Cb -0.19 -2.97 -0.03 0.00 0.56 0.00 0.00 36.38 33.74 2edp s VAL 90 CO -0.07 0.27 0.01 0.00 -0.31 0.00 0.00 175.10 175.00 2edp s ARG 91 N -1.91 3.72 0.00 4.82 1.70 -0.84 0.12 118.95 126.56 2edp s ARG 91 Ca 0.23 -0.42 0.07 0.00 -0.47 0.00 0.00 55.73 55.15 2edp s ARG 91 Cb -0.12 -3.04 -0.02 0.00 -0.57 0.00 0.00 34.95 31.20 2edp s ARG 91 CO 0.15 0.33 -0.22 -0.98 -1.08 0.00 0.00 175.30 173.49 2edp s ARG 92 N 0.18 1.73 0.36 3.89 1.04 0.30 -3.18 118.95 123.28 2edp s ARG 92 Ca 0.02 -0.86 -0.28 0.00 -1.04 0.00 0.00 55.73 53.56 2edp s ARG 92 Cb -0.13 -1.73 -0.11 0.00 -2.04 0.00 0.00 34.95 30.94 2edp s ARG 92 CO 0.02 0.47 1.44 1.03 -0.04 0.00 0.00 175.30 178.22 2edp s ARG 93 N -0.72 4.17 -0.16 3.89 0.52 -1.26 -1.79 118.95 123.60 2edp s ARG 93 Ca 0.09 2.48 -0.15 0.00 -0.52 0.00 0.00 55.73 57.63 2edp s ARG 93 Cb -0.09 -3.00 -0.06 0.00 0.52 0.00 0.00 34.95 32.33 2edp s ARG 93 CO -0.00 -0.45 -0.30 -1.71 0.02 0.00 0.00 175.30 172.86 2edp n ASN 94 N 0.60 1.78 -4.31 0.23 5.15 -1.24 -4.88 115.26 112.60 2edp n ASN 94 Ca 0.01 0.30 -0.38 0.00 -0.60 0.00 0.00 54.58 53.91 2edp n ASN 94 Cb 0.40 -0.68 -0.08 0.00 -0.53 0.00 0.00 39.78 38.89 2edp n ASN 94 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2edp n SER 95 N -4.26 -1.28 0.00 1.20 7.64 -1.26 -4.79 113.62 110.87 2edp n SER 95 Ca -0.18 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.53 2edp n SER 95 Cb 0.51 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2edp n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2edp n GLY 96 N -1.26 -1.18 3.61 0.23 0.00 -1.26 -5.05 105.19 100.28 2edp n GLY 96 Ca 0.04 0.93 -0.43 0.00 0.00 0.00 0.00 46.02 46.57 2edp n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edp s PRO 97 N 0.00 3.52 -0.26 1.61 0.04 -1.26 -4.85 135.00 133.80 2edp s PRO 97 Ca 0.00 1.41 -0.04 0.00 0.04 0.00 0.00 61.00 62.42 2edp s PRO 97 Cb 0.00 -4.12 -0.15 0.00 0.04 0.00 0.00 34.50 30.28 2edp s PRO 97 CO 0.00 -1.63 -0.27 0.45 0.04 0.00 0.00 177.00 175.60 2edp n SER 98 N 9.44 1.99 -2.02 6.66 2.88 -1.26 -4.47 113.62 126.84 2edp n SER 98 Ca 0.20 0.03 -0.19 0.00 -1.33 0.00 0.00 58.87 57.58 2edp n SER 98 Cb 0.46 -0.54 0.02 0.00 -0.75 0.00 0.00 64.21 63.41 2edp n SER 98 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2edp n SER 99 N -3.58 6.51 0.00 -3.46 3.41 -1.26 -5.34 113.62 109.90 2edp n SER 99 Ca -0.48 -3.11 0.00 0.00 -0.26 0.00 0.00 58.87 55.02 2edp n SER 99 Cb 0.94 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 2edp n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49