#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 5.05 -0.03 1.61 0.01 -1.26 -4.82 113.70 114.26 2edp s SER 2 Ca 0.00 -0.10 -0.17 0.00 1.31 0.00 0.00 55.95 56.99 2edp s SER 2 Cb 0.00 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.59 2edp s SER 2 CO 0.00 -2.70 0.71 -1.28 0.41 0.00 0.00 173.24 170.38 2edp h SER 3 N 13.41 -0.51 0.00 2.44 0.87 -2.11 -3.49 113.55 124.17 2edp h SER 3 Ca -0.07 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2edp h SER 3 Cb 1.08 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2edp h SER 3 CO 1.19 -0.08 0.00 0.61 -0.53 0.00 0.00 176.83 178.02 2edp n GLY 4 N 0.24 2.87 3.76 5.77 0.00 -1.26 -5.13 105.19 111.44 2edp n GLY 4 Ca -0.08 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 2edp n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2edp s SER 5 N 0.00 6.50 -0.46 1.61 1.04 -1.26 -5.03 113.70 116.10 2edp s SER 5 Ca 0.00 0.58 -0.28 0.00 0.48 0.00 0.00 55.95 56.74 2edp s SER 5 Cb 0.00 -2.18 -0.01 0.00 0.10 0.00 0.00 66.02 63.93 2edp s SER 5 CO 0.00 0.17 1.70 -0.55 0.98 0.00 0.00 173.24 175.55 2edp s SER 6 N 0.02 5.80 0.00 7.02 0.15 -1.26 -4.75 113.70 120.68 2edp s SER 6 Ca 0.18 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.61 2edp s SER 6 Cb -0.13 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2edp s SER 6 CO 0.06 -1.87 0.00 0.61 1.20 0.00 0.00 173.24 173.23 2edp n GLY 7 N 5.43 -0.02 0.00 9.45 0.00 -1.26 -5.04 105.19 113.75 2edp n GLY 7 Ca 0.20 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2edp n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2edp n GLY 8 N 0.13 0.62 3.06 -0.02 0.00 -1.26 -5.09 105.19 102.62 2edp n GLY 8 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2edp n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2edp s SER 9 N -1.00 1.68 -0.05 1.61 0.15 -1.26 -5.11 113.70 109.73 2edp s SER 9 Ca 0.00 -0.27 -0.05 0.00 0.70 0.00 0.00 55.95 56.33 2edp s SER 9 Cb 0.00 -0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 63.75 2edp s SER 9 CO 0.00 0.09 0.18 -0.36 1.20 0.00 0.00 173.24 174.35 2edp s PHE 10 N 0.21 3.57 -0.16 3.44 0.40 -1.26 -3.45 117.98 120.74 2edp s PHE 10 Ca -0.05 0.45 -0.06 0.00 -0.60 0.00 0.00 56.93 56.67 2edp s PHE 10 Cb -0.11 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.49 2edp s PHE 10 CO 0.02 0.68 0.03 -1.14 0.70 0.00 0.00 175.22 175.50 2edp s GLN 11 N -1.59 3.76 -0.32 0.44 0.74 -1.26 -4.98 119.66 116.45 2edp s GLN 11 Ca 0.23 -0.39 -0.12 0.00 0.05 0.00 0.00 55.36 55.13 2edp s GLN 11 Cb -0.12 -3.08 -0.02 0.00 1.10 0.00 0.00 33.01 30.88 2edp s GLN 11 CO 0.13 0.33 0.22 0.71 -0.55 0.00 0.00 175.29 176.13 2edp s TYR 12 N 0.17 3.22 -0.66 1.67 2.02 -1.26 -2.30 117.35 120.21 2edp s TYR 12 Ca 0.02 -0.21 -0.11 0.00 -0.37 0.00 0.00 57.07 56.40 2edp s TYR 12 Cb -0.13 -2.44 0.17 0.00 -0.40 0.00 0.00 41.96 39.17 2edp s TYR 12 CO 0.01 -0.34 0.56 0.08 -1.57 0.00 0.00 175.55 174.30 2edp s VAL 13 N 1.71 4.88 -1.11 0.71 1.01 0.96 -4.90 120.40 123.66 2edp s VAL 13 Ca 0.06 -2.23 -0.23 0.00 0.00 0.00 0.00 61.98 59.58 2edp s VAL 13 Cb -0.17 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 2edp s VAL 13 CO 0.10 -0.92 1.94 -2.16 0.00 0.00 0.00 175.10 174.06 2edp s PRO 14 N 0.65 2.50 -0.17 2.72 0.04 -1.25 -2.47 135.00 137.02 2edp s PRO 14 Ca 0.12 -0.94 -0.29 0.00 0.04 0.00 0.00 61.00 59.94 2edp s PRO 14 Cb -0.19 -5.19 -0.05 0.00 0.04 0.00 0.00 34.50 29.10 2edp s PRO 14 CO -0.04 -3.85 2.10 0.08 0.04 0.00 0.00 177.00 175.33 2edp s VAL 15 N 10.85 3.08 -0.49 -0.36 1.01 0.49 -4.74 120.40 130.25 2edp s VAL 15 Ca 0.69 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.63 2edp s VAL 15 Cb -0.02 -3.10 0.11 0.00 0.00 0.00 0.00 36.38 33.37 2edp s VAL 15 CO 0.10 -0.05 0.40 -1.58 0.00 0.00 0.00 175.10 173.97 2edp s GLN 16 N 5.81 2.76 0.39 2.72 0.74 -1.26 -1.27 119.66 129.56 2edp s GLN 16 Ca 0.95 -1.64 -0.15 0.00 0.05 0.00 0.00 55.36 54.56 2edp s GLN 16 Cb -0.34 -4.08 -0.08 0.00 1.10 0.00 0.00 33.01 29.61 2edp s GLN 16 CO 0.36 -1.19 0.82 -0.51 -0.55 0.00 0.00 175.29 174.22 2edp s LEU 17 N 1.50 3.91 -0.03 3.68 1.43 0.10 -4.90 118.68 124.37 2edp s LEU 17 Ca 0.04 1.35 -0.01 0.00 -1.03 0.00 0.00 54.13 54.49 2edp s LEU 17 Cb -0.27 -4.21 0.03 0.00 0.03 0.00 0.00 46.19 41.77 2edp s LEU 17 CO 0.02 -0.35 0.06 -1.10 0.23 0.00 0.00 176.35 175.21 2edp s GLN 18 N -3.43 -0.01 0.00 1.70 -0.21 -1.26 -2.03 119.66 114.41 2edp s GLN 18 Ca 0.55 0.24 0.00 0.00 0.02 0.00 0.00 55.36 56.18 2edp s GLN 18 Cb -0.10 -0.24 0.00 0.00 1.00 0.00 0.00 33.01 33.67 2edp s GLN 18 CO 0.23 -0.18 0.00 0.41 -2.12 0.00 0.00 175.29 173.63 2edp n GLY 19 N 4.25 3.93 0.00 3.09 0.00 0.41 -5.01 105.19 111.85 2edp n GLY 19 Ca -0.26 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 2.76 3.67 -0.02 0.00 -1.06 -4.83 105.19 105.70 2edp n GLY 20 Ca 0.00 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 2edp n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edp s ALA 21 N -2.55 1.43 0.45 4.61 0.00 -1.26 -4.51 121.76 119.93 2edp s ALA 21 Ca 0.00 0.50 -0.23 0.00 0.00 0.00 0.00 51.96 52.23 2edp s ALA 21 Cb 0.00 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 2edp s ALA 21 CO 0.00 -2.72 1.17 -1.25 0.00 0.00 0.00 175.76 172.95 2edp s PRO 22 N -4.67 3.79 -0.16 0.00 0.04 -1.26 -5.13 135.00 127.61 2edp s PRO 22 Ca 0.66 1.78 -0.18 0.00 0.04 0.00 0.00 61.00 63.30 2edp s PRO 22 Cb -0.22 -2.43 -0.23 0.00 0.04 0.00 0.00 34.50 31.65 2edp s PRO 22 CO 0.58 -0.53 0.37 -1.49 0.04 0.00 0.00 177.00 175.97 2edp h TRP 23 N 2.11 0.20 0.00 0.56 4.06 -1.99 -3.42 115.95 117.47 2edp h TRP 23 Ca -0.49 -0.14 0.00 0.00 2.06 0.00 0.00 58.89 60.31 2edp h TRP 23 Cb 1.25 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 2edp h TRP 23 CO 0.53 1.52 0.00 0.41 -3.56 0.00 0.00 178.44 177.34 2edp n GLY 24 N 1.62 0.92 3.10 1.49 0.00 -1.26 0.49 105.19 111.54 2edp n GLY 24 Ca -0.29 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.78 -0.09 0.25 1.61 -0.12 -1.26 0.11 117.98 116.70 2edp s PHE 25 Ca 0.00 0.20 0.01 0.00 -0.05 0.00 0.00 56.93 57.09 2edp s PHE 25 Cb 0.00 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 2edp s PHE 25 CO 0.00 -0.20 0.16 0.95 -0.05 0.00 0.00 175.22 176.08 2edp s THR 26 N -0.67 0.10 0.29 -4.49 -4.23 0.12 -4.97 115.64 101.79 2edp s THR 26 Ca -0.08 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.46 2edp s THR 26 Cb -0.04 -2.51 -0.05 0.00 1.34 0.00 0.00 72.50 71.23 2edp s THR 26 CO 0.01 0.00 0.09 -0.76 -0.54 0.00 0.00 174.62 173.42 2edp s LEU 27 N -3.25 1.83 0.16 4.79 1.43 -1.26 -1.03 118.68 121.35 2edp s LEU 27 Ca 0.39 -1.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.00 2edp s LEU 27 Cb 0.06 -0.11 -0.01 0.00 0.03 0.00 0.00 46.19 46.16 2edp s LEU 27 CO 0.16 -0.71 0.26 -1.59 0.23 0.00 0.00 176.35 174.70 2edp s LYS 28 N -3.96 1.13 4.74 1.70 -2.85 -1.03 -4.50 119.74 114.96 2edp s LYS 28 Ca 0.37 -1.19 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 2edp s LYS 28 Cb 0.08 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 2edp s LYS 28 CO 0.15 -0.40 0.00 0.41 0.10 0.00 0.00 175.35 175.60 2edp n GLY 29 N -0.20 0.42 0.00 0.59 0.00 -1.26 -3.10 105.19 101.64 2edp n GLY 29 Ca -0.07 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 2.88 0.32 -0.02 0.00 0.56 -4.69 105.19 104.24 2edp n GLY 30 Ca 0.00 -1.84 0.32 0.00 0.00 0.00 0.00 46.02 44.50 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 0.32 -0.88 0.99 8.10 -1.56 0.14 115.31 122.42 2edp h LEU 31 Ca 0.00 0.26 0.12 0.00 0.11 0.00 0.00 57.88 58.37 2edp h LEU 31 Cb 0.00 0.27 -0.14 0.00 -0.44 0.00 0.00 40.66 40.35 2edp h LEU 31 CO 0.00 -0.43 -0.45 -0.33 -4.11 0.00 0.00 178.44 173.12 2edp h GLU 32 N 0.01 -0.06 -0.93 0.17 5.08 -1.86 0.33 114.58 117.32 2edp h GLU 32 Ca 0.85 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.65 2edp h GLU 32 Cb 2.24 0.01 -0.29 0.00 0.50 0.00 0.00 28.75 31.21 2edp h GLU 32 CO -0.77 -0.04 0.62 0.72 -1.00 0.00 0.00 179.01 178.54 2edp n HIS 33 N -5.40 2.97 -4.30 4.33 8.25 0.43 -4.91 115.22 116.59 2edp n HIS 33 Ca 0.06 -2.38 -0.34 0.00 -0.26 0.00 0.00 57.72 54.79 2edp n HIS 33 Cb 0.35 -1.11 -0.09 0.00 1.12 0.00 0.00 29.99 30.27 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 -7.07 1.27 -0.23 0.00 0.41 -0.92 -4.97 118.70 107.19 2edp s GLU 35 Ca 0.34 -0.85 -0.29 0.00 -0.41 0.00 0.00 54.97 53.76 2edp s GLU 35 Cb -0.20 -1.34 -0.03 0.00 -1.78 0.00 0.00 34.13 30.79 2edp s GLU 35 CO 0.96 0.34 1.62 -1.25 -0.49 0.00 0.00 175.26 176.44 2edp s PRO 36 N -1.06 3.77 -0.63 0.39 0.04 -1.26 -0.32 135.00 135.92 2edp s PRO 36 Ca 0.06 1.64 -0.26 0.00 0.04 0.00 0.00 61.00 62.48 2edp s PRO 36 Cb -0.08 -4.04 -0.11 0.00 0.04 0.00 0.00 34.50 30.31 2edp s PRO 36 CO 0.01 -1.32 2.42 -0.11 0.04 0.00 0.00 177.00 178.04 2edp n LEU 37 N 8.52 1.99 -4.20 -3.56 7.94 -1.26 -4.56 117.00 121.88 2edp n LEU 37 Ca 0.19 -0.88 -0.24 0.00 -1.11 0.00 0.00 56.01 53.96 2edp n LEU 37 Cb 0.45 -1.58 -0.15 0.00 0.53 0.00 0.00 43.42 42.68 2edp n LEU 37 CO 0.65 -1.97 -0.50 0.42 -1.11 0.00 0.00 177.39 174.87 2edp s THR 38 N 12.98 1.46 0.05 1.96 -4.23 -1.18 -3.04 115.64 123.64 2edp s THR 38 Ca 0.98 -0.97 -0.30 0.00 -1.18 0.00 0.00 61.69 60.21 2edp s THR 38 Cb -0.20 -1.25 -0.16 0.00 1.34 0.00 0.00 72.50 72.23 2edp s THR 38 CO 0.20 0.26 0.76 0.52 -0.54 0.00 0.00 174.62 175.82 2edp n VAL 39 N 2.20 0.48 -0.10 2.29 0.31 0.07 -2.45 118.33 121.14 2edp n VAL 39 Ca -0.16 -0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 63.90 2edp n VAL 39 Cb 0.54 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.38 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 1.37 2.38 -3.66 4.52 3.41 -0.20 -3.26 113.62 118.18 2edp n SER 40 Ca 0.16 -0.07 -0.15 0.00 -0.26 0.00 0.00 58.87 58.55 2edp n SER 40 Cb 0.11 -0.34 -0.08 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 -2.39 0.82 -0.08 4.33 2.36 -1.24 -4.90 119.74 118.63 2edp s LYS 41 Ca -0.27 0.04 -0.03 0.00 -2.55 0.00 0.00 55.97 53.17 2edp s LYS 41 Cb 0.07 0.37 0.04 0.00 -1.05 0.00 0.00 37.83 37.27 2edp s LYS 41 CO 0.45 -0.23 0.15 0.42 1.55 0.00 0.00 175.35 177.68 2edp s ILE 42 N -1.17 -0.23 -0.27 5.43 1.01 -1.26 0.13 121.20 124.85 2edp s ILE 42 Ca -0.12 0.34 -0.40 0.00 0.00 0.00 0.00 60.65 60.47 2edp s ILE 42 Cb -0.03 -0.28 -0.16 0.00 0.01 0.00 0.00 42.46 42.00 2edp s ILE 42 CO 0.06 0.14 1.71 -0.62 0.00 0.00 0.00 174.94 176.24 2edp n GLU 43 N 5.20 1.08 0.08 2.79 -0.58 0.31 -4.78 120.64 124.74 2edp n GLU 43 Ca -0.07 0.40 0.20 0.00 -0.42 0.00 0.00 57.16 57.27 2edp n GLU 43 Cb 0.50 -2.07 0.75 0.00 -0.57 0.00 0.00 31.44 30.05 2edp n GLU 43 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2edp h ASP 44 N 6.92 0.00 -0.10 1.62 3.32 -1.99 0.73 116.42 126.92 2edp h ASP 44 Ca -0.46 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 2edp h ASP 44 Cb 1.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 2edp h ASP 44 CO 0.95 0.00 -0.01 0.61 -1.72 0.00 0.00 179.24 179.07 2edp n GLY 45 N -1.51 4.58 3.94 2.75 0.00 -1.26 -4.71 105.19 108.98 2edp n GLY 45 Ca 0.07 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 2edp n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2edp s GLY 46 N -2.54 1.43 0.23 -0.02 0.00 0.25 -4.86 107.32 101.81 2edp s GLY 46 Ca 0.36 -0.86 -0.17 0.00 0.00 0.00 0.00 44.72 44.05 2edp s GLY 46 CO 0.05 -0.79 1.56 0.50 0.00 0.00 0.00 173.10 174.42 2edp h LYS 47 N 0.95 -0.03 -0.90 2.90 6.56 -0.22 0.69 116.57 126.52 2edp h LYS 47 Ca -0.49 0.00 0.22 0.00 -1.06 0.00 0.00 60.65 59.32 2edp h LYS 47 Cb 1.21 0.01 -0.12 0.00 -0.57 0.00 0.00 32.23 32.76 2edp h LYS 47 CO 0.62 -0.02 0.41 0.00 -2.06 0.00 0.00 179.45 178.40 2edp h ALA 48 N 1.39 1.46 -0.15 3.86 0.00 -1.77 0.21 119.26 124.26 2edp h ALA 48 Ca 0.34 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 55.26 2edp h ALA 48 Cb 0.60 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2edp h ALA 48 CO -0.93 -0.34 -0.50 0.00 0.00 0.00 0.00 179.25 177.49 2edp h ALA 49 N 1.71 0.27 -0.65 0.00 0.00 0.11 -3.06 119.26 117.63 2edp h ALA 49 Ca 0.57 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2edp h ALA 49 Cb 1.07 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2edp h ALA 49 CO -0.52 0.44 0.41 -0.07 0.00 0.00 0.00 179.25 179.51 2edp h LEU 50 N 0.26 0.68 -1.68 0.00 3.38 0.11 -1.74 115.31 116.33 2edp h LEU 50 Ca -0.02 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2edp h LEU 50 Cb 1.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2edp h LEU 50 CO 0.11 0.48 0.15 0.28 0.09 0.00 0.00 178.44 179.55 2edp h SER 51 N 0.81 0.32 -2.66 -0.43 0.02 -0.71 -3.46 113.55 107.45 2edp h SER 51 Ca 0.25 -0.02 -0.38 0.00 -0.84 0.00 0.00 61.79 60.80 2edp h SER 51 Cb -0.01 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.39 2edp h SER 51 CO -0.09 0.26 -0.46 0.00 -1.14 0.00 0.00 176.83 175.40 2edp n GLN 52 N -4.47 -1.70 -0.06 3.45 6.02 -0.66 -4.84 117.38 115.11 2edp n GLN 52 Ca 0.01 0.98 -0.12 0.00 -0.01 0.00 0.00 57.00 57.86 2edp n GLN 52 Cb 0.09 -5.56 -0.15 0.00 1.02 0.00 0.00 30.24 25.65 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 -2.80 0.67 -4.47 -1.09 4.76 -1.26 -5.00 118.16 108.98 2edp n LYS 53 Ca -0.22 0.15 -0.22 0.00 -2.87 0.00 0.00 58.31 55.15 2edp n LYS 53 Cb 0.66 -1.64 -0.10 0.00 -1.84 0.00 0.00 35.03 32.11 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 -2.54 1.70 -0.15 1.97 0.23 -1.26 -4.97 119.30 114.28 2edp s MET 54 Ca -0.12 -1.96 -0.30 0.00 -1.03 0.00 0.00 55.69 52.28 2edp s MET 54 Cb 0.07 -0.88 0.13 0.00 -1.53 0.00 0.00 34.83 32.63 2edp s MET 54 CO 0.79 -0.22 1.03 0.50 -2.03 0.00 0.00 175.02 175.10 2edp s ARG 55 N -3.87 0.56 -0.78 3.16 3.52 -1.26 -4.83 118.95 115.45 2edp s ARG 55 Ca 0.35 0.04 -0.37 0.00 -0.13 0.00 0.00 55.73 55.62 2edp s ARG 55 Cb 0.08 0.26 -0.21 0.00 -1.56 0.00 0.00 34.95 33.53 2edp s ARG 55 CO 0.15 -0.19 2.45 0.25 -0.81 0.00 0.00 175.30 177.15 2edp n THR 56 N 0.50 0.00 0.00 4.11 -2.24 -1.26 -2.05 114.28 113.33 2edp n THR 56 Ca -0.08 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2edp n THR 56 Cb 0.59 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 6.93 0.63 3.90 3.38 0.00 -1.20 -5.00 105.19 113.84 2edp n GLY 57 Ca 0.61 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.35 2edp n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2edp s ASP 58 N 0.00 5.21 -0.36 1.61 1.47 -0.87 -4.80 116.67 118.92 2edp s ASP 58 Ca 0.00 0.83 -0.00 0.00 1.18 0.00 0.00 52.55 54.56 2edp s ASP 58 Cb 0.00 -1.60 0.09 0.00 -0.34 0.00 0.00 42.92 41.07 2edp s ASP 58 CO 0.00 -1.41 0.10 -0.70 0.68 0.00 0.00 175.17 173.84 2edp s GLU 59 N -5.27 1.95 -0.46 2.11 2.12 -1.22 -0.75 118.70 117.18 2edp s GLU 59 Ca 0.58 -1.70 -0.27 0.00 0.36 0.00 0.00 54.97 53.94 2edp s GLU 59 Cb -0.11 -3.35 0.03 0.00 0.26 0.00 0.00 34.13 30.95 2edp s GLU 59 CO 0.48 -0.91 1.02 -1.17 -0.54 0.00 0.00 175.26 174.13 2edp s LEU 60 N 1.09 3.85 -0.00 2.70 0.20 -1.17 -2.58 118.68 122.77 2edp s LEU 60 Ca 0.05 0.31 0.06 0.00 0.69 0.00 0.00 54.13 55.25 2edp s LEU 60 Cb -0.21 -3.35 -0.08 0.00 -0.43 0.00 0.00 46.19 42.12 2edp s LEU 60 CO -0.05 -1.12 0.23 1.33 -0.29 0.00 0.00 176.35 176.46 2edp n VAL 61 N 6.55 0.00 -4.10 1.68 0.24 -1.25 -4.90 118.33 116.54 2edp n VAL 61 Ca 0.09 -0.30 -0.28 0.00 -2.04 0.00 0.00 64.34 61.81 2edp n VAL 61 Cb 0.49 0.83 -0.17 0.00 -1.47 0.00 0.00 33.84 33.52 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 -1.90 2.33 -0.21 -1.34 3.84 -1.26 -0.22 114.94 116.19 2edp s ASN 62 Ca 0.01 -0.38 0.01 0.00 0.21 0.00 0.00 52.86 52.71 2edp s ASN 62 Cb 0.05 -0.98 0.05 0.00 -0.55 0.00 0.00 41.25 39.81 2edp s ASN 62 CO 0.26 -0.06 -0.10 -0.63 -2.79 0.00 0.00 177.10 173.78 2edp s ILE 63 N 1.42 1.72 -1.73 -5.21 1.01 -0.83 -2.59 121.20 114.97 2edp s ILE 63 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.52 2edp s ILE 63 Cb -0.13 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.51 2edp s ILE 63 CO -0.07 0.10 0.00 0.59 0.00 0.00 0.00 174.94 175.56 2edp n ASN 64 N 4.64 -5.33 0.00 3.58 3.02 0.89 -1.35 115.26 120.71 2edp n ASN 64 Ca -0.14 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2edp n ASN 64 Cb 0.45 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.21 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 -0.90 0.66 3.31 7.41 0.00 -1.22 -4.91 105.19 109.55 2edp n GLY 65 Ca -0.21 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 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 4.05 -0.39 2.61 2.01 -0.46 -5.06 115.64 116.41 2edp s THR 66 Ca 0.00 -0.99 -0.28 0.00 0.31 0.00 0.00 61.69 60.72 2edp s THR 66 Cb 0.00 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 2edp s THR 66 CO 0.00 -0.16 1.72 -2.16 -0.69 0.00 0.00 174.62 173.33 2edp s PRO 67 N 1.46 3.29 1.01 4.92 0.04 -1.26 -1.97 135.00 142.49 2edp s PRO 67 Ca -0.00 1.21 -0.16 0.00 0.04 0.00 0.00 61.00 62.09 2edp s PRO 67 Cb -0.19 -4.19 0.21 0.00 0.04 0.00 0.00 34.50 30.37 2edp s PRO 67 CO 0.04 -1.91 1.24 -0.51 0.04 0.00 0.00 177.00 175.90 2edp s LEU 68 N 6.86 2.13 -0.10 -3.56 1.43 0.70 -5.02 118.68 121.11 2edp s LEU 68 Ca 0.74 0.46 0.19 0.00 -1.03 0.00 0.00 54.13 54.49 2edp s LEU 68 Cb -0.19 -2.48 0.43 0.00 0.03 0.00 0.00 46.19 43.98 2edp s LEU 68 CO 0.32 -3.01 1.19 -1.22 0.23 0.00 0.00 176.35 173.85 2edp n TYR 69 N -3.99 0.15 0.00 0.29 4.01 -1.26 -4.96 117.16 111.41 2edp n TYR 69 Ca 0.13 -1.02 0.00 0.00 -0.16 0.00 0.00 57.90 56.85 2edp n TYR 69 Cb 0.60 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 2edp n TYR 69 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2edp n GLY 70 N -0.22 2.98 3.33 2.72 0.00 -1.26 -4.84 105.19 107.90 2edp n GLY 70 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2edp n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2edp n SER 71 N 0.16 -2.62 -0.08 1.61 3.41 -1.26 -2.65 113.62 112.19 2edp n SER 71 Ca 0.00 0.62 -0.08 0.00 -0.26 0.00 0.00 58.87 59.16 2edp n SER 71 Cb 0.00 -1.01 -0.03 0.00 -0.26 0.00 0.00 64.21 62.92 2edp n SER 71 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2edp n ARG 72 N 0.69 0.49 0.03 4.33 3.00 -1.26 -4.35 116.66 119.59 2edp n ARG 72 Ca 0.09 0.27 -0.10 0.00 -0.00 0.00 0.00 57.85 58.11 2edp n ARG 72 Cb 0.49 -1.45 -0.06 0.00 0.00 0.00 0.00 32.46 31.44 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 -0.96 -0.40 -0.71 -0.14 7.50 -1.95 -2.03 115.11 116.42 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 0.85 0.09 -0.13 0.00 0.05 0.00 0.00 27.48 28.34 2edp h GLN 73 CO 0.00 -0.27 -0.21 -1.91 -1.50 0.00 0.00 178.83 174.95 2edp n GLU 74 N -4.33 -0.10 0.00 1.46 2.13 -1.26 -0.26 120.64 118.28 2edp n GLU 74 Ca -0.04 1.10 0.00 0.00 0.66 0.00 0.00 57.16 58.88 2edp n GLU 74 Cb 0.24 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.31 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 -3.70 -0.15 -0.33 4.31 0.00 -0.78 -0.17 120.51 119.68 2edp n ALA 75 Ca 0.10 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.79 2edp n ALA 75 Cb 0.33 0.14 0.48 0.00 0.00 0.00 0.00 19.45 20.40 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 0.44 -1.00 0.00 3.38 -1.02 0.90 115.31 118.00 2edp h LEU 76 Ca 0.00 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2edp h LEU 76 Cb 0.00 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2edp h LEU 76 CO 0.00 -0.19 0.29 0.40 0.09 0.00 0.00 178.44 179.03 2edp h ILE 77 N 0.26 1.23 -0.35 1.22 2.04 -0.25 -2.11 117.51 119.55 2edp h ILE 77 Ca 0.74 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2edp h ILE 77 Cb 1.74 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2edp h ILE 77 CO -0.64 0.29 0.17 0.25 0.00 0.00 0.00 178.15 178.22 2edp h LEU 78 N 0.99 0.45 -0.43 1.44 5.85 0.42 -2.97 115.31 121.06 2edp h LEU 78 Ca 0.24 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2edp h LEU 78 Cb 0.16 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2edp h LEU 78 CO -0.02 0.43 0.25 0.40 -0.34 0.00 0.00 178.44 179.16 2edp h ILE 79 N 0.43 1.15 -0.76 4.05 2.04 -1.17 -2.77 117.51 120.47 2edp h ILE 79 Ca 0.12 -0.35 0.30 0.00 1.00 0.00 0.00 64.86 65.93 2edp h ILE 79 Cb 0.10 0.60 -0.12 0.00 -0.74 0.00 0.00 36.82 36.66 2edp h ILE 79 CO -0.02 0.15 0.43 0.29 0.00 0.00 0.00 178.15 179.00 2edp n LYS 80 N -4.73 -0.04 -1.86 2.37 4.76 -0.82 0.23 118.16 118.07 2edp n LYS 80 Ca 0.01 0.94 -0.33 0.00 -2.87 0.00 0.00 58.31 56.06 2edp n LYS 80 Cb 0.07 -1.73 0.04 0.00 -1.84 0.00 0.00 35.03 31.57 2edp n LYS 80 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2edp n GLY 81 N -1.22 5.89 2.35 0.72 0.00 -1.04 -5.03 105.19 106.86 2edp n GLY 81 Ca 0.27 -2.52 -0.20 0.00 0.00 0.00 0.00 46.02 43.57 2edp n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2edp n SER 82 N -0.68 -2.04 -4.03 1.61 3.41 0.62 -5.08 113.62 107.43 2edp n SER 82 Ca 0.52 -0.90 -0.25 0.00 -0.26 0.00 0.00 58.87 57.99 2edp n SER 82 Cb 0.58 -0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 2edp n SER 82 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2edp s PHE 83 N -2.25 1.77 0.65 7.33 5.36 -1.26 -4.99 117.98 124.60 2edp s PHE 83 Ca 0.48 -1.33 0.16 0.00 -0.96 0.00 0.00 56.93 55.28 2edp s PHE 83 Cb -0.05 -1.10 0.85 0.00 -0.34 0.00 0.00 43.02 42.38 2edp s PHE 83 CO 0.37 -0.37 1.47 0.00 -1.46 0.00 0.00 175.22 175.23 2edp h ARG 84 N 1.84 0.00 -3.64 10.12 3.08 -1.96 -3.38 114.38 120.44 2edp h ARG 84 Ca -0.34 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.45 2edp h ARG 84 Cb 1.27 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 31.02 2edp h ARG 84 CO 0.54 0.00 -0.72 0.42 -1.07 0.00 0.00 179.97 179.14 2edp s ILE 85 N -4.11 -0.02 -0.05 2.04 1.01 -1.26 -0.45 121.20 118.36 2edp s ILE 85 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.74 2edp s ILE 85 Cb 0.06 -0.04 -0.03 0.00 0.01 0.00 0.00 42.46 42.45 2edp s ILE 85 CO 0.18 0.04 -0.08 -0.22 0.00 0.00 0.00 174.94 174.86 2edp s LEU 86 N 0.43 3.09 -0.27 2.97 2.96 -0.86 -4.92 118.68 122.08 2edp s LEU 86 Ca -0.04 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2edp s LEU 86 Cb -0.05 -1.70 0.07 0.00 0.50 0.00 0.00 46.19 45.02 2edp s LEU 86 CO -0.01 0.34 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.81 2edp s LYS 87 N -0.95 1.47 -0.09 1.98 1.02 -1.26 0.01 119.74 121.92 2edp s LYS 87 Ca 0.13 -1.20 0.04 0.00 0.02 0.00 0.00 55.97 54.97 2edp s LYS 87 Cb -0.11 -2.63 -0.00 0.00 -0.52 0.00 0.00 37.83 34.57 2edp s LYS 87 CO 0.03 -0.73 -0.24 -0.51 -0.92 0.00 0.00 175.35 172.98 2edp s LEU 88 N 1.32 2.07 -0.69 3.17 1.43 -0.39 -0.07 118.68 125.51 2edp s LEU 88 Ca 0.00 -0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 52.47 2edp s LEU 88 Cb -0.19 -1.38 0.18 0.00 0.03 0.00 0.00 46.19 44.83 2edp s LEU 88 CO -0.10 0.17 0.57 -0.63 0.23 0.00 0.00 176.35 176.60 2edp s ILE 89 N 0.26 4.61 0.38 -0.59 1.09 -1.07 0.19 121.20 126.06 2edp s ILE 89 Ca -0.16 -2.60 -0.10 0.00 -1.10 0.00 0.00 60.65 56.69 2edp s ILE 89 Cb -0.17 -3.92 -0.06 0.00 -1.06 0.00 0.00 42.46 37.24 2edp s ILE 89 CO 0.08 -0.93 0.73 0.68 -0.10 0.00 0.00 174.94 175.39 2edp s VAL 90 N 0.22 4.82 -0.10 2.92 -7.23 -1.03 -3.92 120.40 116.08 2edp s VAL 90 Ca 0.16 0.54 0.03 0.00 -1.81 0.00 0.00 61.98 60.89 2edp s VAL 90 Cb -0.17 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.05 2edp s VAL 90 CO -0.05 -0.46 -0.20 0.00 -0.31 0.00 0.00 175.10 174.07 2edp s ARG 91 N -3.73 2.67 -0.48 4.82 1.70 -1.06 -0.03 118.95 122.83 2edp s ARG 91 Ca 0.50 -0.74 0.03 0.00 -0.47 0.00 0.00 55.73 55.05 2edp s ARG 91 Cb -0.10 -2.09 0.13 0.00 -0.57 0.00 0.00 34.95 32.31 2edp s ARG 91 CO 0.30 0.09 0.24 -0.98 -1.08 0.00 0.00 175.30 173.86 2edp s ARG 92 N 0.56 1.75 -0.48 3.89 1.70 -0.97 -3.40 118.95 122.01 2edp s ARG 92 Ca -0.15 -2.39 -0.44 0.00 -0.47 0.00 0.00 55.73 52.28 2edp s ARG 92 Cb -0.17 -3.05 -0.19 0.00 -0.57 0.00 0.00 34.95 30.97 2edp s ARG 92 CO 0.05 -1.11 1.69 2.89 -1.08 0.00 0.00 175.30 177.74 2edp n ARG 93 N 3.33 0.00 -0.29 3.89 1.85 -1.26 -4.10 116.66 120.08 2edp n ARG 93 Ca 0.06 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.98 2edp n ARG 93 Cb 0.34 -1.43 0.23 0.00 -1.05 0.00 0.00 32.46 30.54 2edp n ARG 93 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 2edp h ASN 94 N 5.94 0.45 -2.84 2.89 -0.73 -1.94 -3.38 115.58 115.97 2edp h ASN 94 Ca -0.32 0.10 -0.57 0.00 1.87 0.00 0.00 56.30 57.38 2edp h ASN 94 Cb 1.32 0.04 -0.03 0.00 0.27 0.00 0.00 38.32 39.92 2edp h ASN 94 CO 0.97 0.17 1.13 -0.94 -0.37 0.00 0.00 177.43 178.39 2edp s SER 95 N -5.37 6.31 0.00 1.15 1.04 -1.26 -4.90 113.70 110.67 2edp s SER 95 Ca -0.12 1.43 0.00 0.00 0.48 0.00 0.00 55.95 57.74 2edp s SER 95 Cb 0.22 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.81 2edp s SER 95 CO 0.78 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2edp n GLY 96 N 4.82 4.15 0.00 7.32 0.00 -1.26 -5.00 105.19 115.22 2edp n GLY 96 Ca 0.19 -0.88 0.06 0.00 0.00 0.00 0.00 46.02 45.39 2edp n GLY 96 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edp n PRO 97 N 0.00 0.49 -3.38 1.61 -0.04 -1.26 -3.80 135.00 128.63 2edp n PRO 97 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2edp n PRO 97 Cb 0.00 -1.39 -0.09 0.00 -0.04 0.00 0.00 33.50 31.98 2edp n PRO 97 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2edp n SER 98 N -0.89 0.75 -4.77 3.54 3.41 -1.26 -5.11 113.62 109.29 2edp n SER 98 Ca 0.09 -2.74 -0.40 0.00 -0.26 0.00 0.00 58.87 55.57 2edp n SER 98 Cb 0.04 -0.63 -0.01 0.00 -0.26 0.00 0.00 64.21 63.35 2edp n SER 98 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2edp s SER 99 N -0.94 6.55 0.00 4.04 1.04 -1.25 -4.99 113.70 118.14 2edp s SER 99 Ca 0.34 2.61 0.00 0.00 0.48 0.00 0.00 55.95 59.38 2edp s SER 99 Cb 0.10 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2edp s SER 99 CO -0.14 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.02