#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aff h THR 4 N 0.00 1.18 -3.68 0.52 2.02 -1.97 -3.40 112.91 107.57 2aff h THR 4 Ca 0.00 -0.49 -0.64 0.00 0.77 0.00 0.00 66.41 66.05 2aff h THR 4 Cb 0.00 0.68 -0.16 0.00 -1.74 0.00 0.00 68.15 66.93 2aff h THR 4 CO 0.00 0.19 -0.23 -0.13 0.37 0.00 0.00 175.52 175.73 2aff s ARG 5 N -5.75 3.79 -0.04 6.66 0.52 -1.26 -1.97 118.95 120.90 2aff s ARG 5 Ca -0.13 -0.16 0.03 0.00 -0.52 0.00 0.00 55.73 54.95 2aff s ARG 5 Cb 0.11 -3.73 0.00 0.00 0.52 0.00 0.00 34.95 31.85 2aff s ARG 5 CO 0.75 -0.43 -0.14 0.50 0.02 0.00 0.00 175.30 176.00 2aff s ARG 6 N 2.10 1.50 -0.11 3.54 3.52 0.09 -2.09 118.95 127.51 2aff s ARG 6 Ca 0.14 -0.49 0.01 0.00 -0.13 0.00 0.00 55.73 55.26 2aff s ARG 6 Cb -0.16 -1.32 -0.02 0.00 -1.56 0.00 0.00 34.95 31.89 2aff s ARG 6 CO 0.11 0.18 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.48 2aff s LEU 7 N 0.15 2.75 -0.15 -0.88 2.96 -0.69 -1.25 118.68 121.57 2aff s LEU 7 Ca -0.05 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 2aff s LEU 7 Cb -0.11 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 2aff s LEU 7 CO 0.02 0.22 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.55 2aff s VAL 8 N 0.04 3.99 -0.24 1.68 1.01 -0.95 0.80 120.40 126.73 2aff s VAL 8 Ca -0.04 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.42 2aff s VAL 8 Cb -0.14 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 2aff s VAL 8 CO 0.04 0.50 0.57 -0.89 0.00 0.00 0.00 175.10 175.33 2aff s THR 9 N 0.25 5.04 0.09 3.92 2.01 -0.97 -2.20 115.64 123.78 2aff s THR 9 Ca -0.02 1.03 -0.19 0.00 0.31 0.00 0.00 61.69 62.82 2aff s THR 9 Cb -0.14 -3.89 -0.07 0.00 0.01 0.00 0.00 72.50 68.42 2aff s THR 9 CO 0.03 0.09 0.58 -0.63 -0.69 0.00 0.00 174.62 173.99 2aff s ILE 10 N 2.19 4.74 0.46 1.82 1.01 -0.80 -2.50 121.20 128.13 2aff s ILE 10 Ca 0.25 1.16 -0.02 0.00 0.00 0.00 0.00 60.65 62.04 2aff s ILE 10 Cb -0.16 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 2aff s ILE 10 CO 0.09 0.48 0.71 -0.54 0.00 0.00 0.00 174.94 175.69 2aff s LYS 11 N -1.30 3.20 0.56 2.79 1.02 -0.51 -4.38 119.74 121.13 2aff s LYS 11 Ca 0.31 -0.24 0.26 0.00 0.02 0.00 0.00 55.97 56.32 2aff s LYS 11 Cb -0.19 -2.49 1.51 0.00 -0.52 0.00 0.00 37.83 36.14 2aff s LYS 11 CO 0.19 -0.26 2.04 0.00 -0.92 0.00 0.00 175.35 176.40 2aff h ARG 12 N 0.32 0.00 -0.00 1.68 3.08 -1.90 0.61 114.38 118.16 2aff h ARG 12 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2aff h ARG 12 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2aff h ARG 12 CO 0.59 0.00 -0.15 -1.13 -1.07 0.00 0.00 179.97 178.21 2aff n SER 13 N -4.06 0.43 -0.47 7.04 3.41 -1.26 -4.91 113.62 113.79 2aff n SER 13 Ca 0.05 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2aff n SER 13 Cb 0.44 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aff n GLY 14 N 1.34 0.86 3.28 5.00 0.00 0.21 -5.08 105.19 110.81 2aff n GLY 14 Ca 0.12 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2aff n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aff s VAL 15 N -2.73 2.30 -0.15 1.61 1.01 -1.25 -4.83 120.40 116.37 2aff s VAL 15 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 2aff s VAL 15 Cb 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2aff s VAL 15 CO 0.00 0.56 1.31 -0.62 0.00 0.00 0.00 175.10 176.35 2aff s ASP 16 N 0.05 6.91 0.00 3.32 -1.08 -1.26 -1.42 116.67 123.18 2aff s ASP 16 Ca -0.09 1.77 0.00 0.00 -0.52 0.00 0.00 52.55 53.71 2aff s ASP 16 Cb -0.15 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 2aff s ASP 16 CO 0.06 -0.78 0.00 0.61 0.52 0.00 0.00 175.17 175.58 2aff n GLY 17 N 3.67 1.63 3.79 2.66 0.00 -1.04 -5.01 105.19 110.89 2aff n GLY 17 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2aff n GLY 17 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2aff s PRO 18 N 3.08 3.98 -0.01 1.61 0.04 -1.26 -4.80 135.00 137.64 2aff s PRO 18 Ca 0.00 1.50 0.02 0.00 0.04 0.00 0.00 61.00 62.56 2aff s PRO 18 Cb 0.00 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 2aff s PRO 18 CO 0.00 -0.30 -0.04 -1.01 0.04 0.00 0.00 177.00 175.69 2aff s HIS 19 N -1.75 2.97 -0.38 0.56 3.76 -1.26 -2.30 115.29 116.89 2aff s HIS 19 Ca 0.62 0.02 -0.04 0.00 -0.15 0.00 0.00 55.06 55.51 2aff s HIS 19 Cb -0.21 -1.64 0.08 0.00 1.11 0.00 0.00 32.58 31.92 2aff s HIS 19 CO 0.26 0.40 0.15 0.12 -0.85 0.00 0.00 174.74 174.82 2aff s PHE 20 N -1.01 3.44 0.02 1.40 5.36 0.24 -4.94 117.98 122.49 2aff s PHE 20 Ca 0.17 -2.06 -0.30 0.00 -0.96 0.00 0.00 56.93 53.78 2aff s PHE 20 Cb -0.11 -2.82 -0.05 0.00 -0.34 0.00 0.00 43.02 39.70 2aff s PHE 20 CO 0.08 -0.89 1.23 -1.25 -1.46 0.00 0.00 175.22 172.92 2aff s PRO 21 N 1.23 4.39 -0.20 10.12 0.04 -1.26 -1.70 135.00 147.62 2aff s PRO 21 Ca 0.03 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 62.81 2aff s PRO 21 Cb -0.22 -3.43 -0.05 0.00 0.04 0.00 0.00 34.50 30.84 2aff s PRO 21 CO -0.02 -0.35 2.90 1.28 0.04 0.00 0.00 177.00 180.85 2aff n LEU 22 N 4.43 5.86 0.23 -3.56 4.77 -0.89 -4.47 117.00 123.37 2aff n LEU 22 Ca 0.10 -3.41 0.12 0.00 -0.03 0.00 0.00 56.01 52.79 2aff n LEU 22 Cb 0.46 -1.27 0.73 0.00 -2.33 0.00 0.00 43.42 41.01 2aff n LEU 22 CO 0.56 1.56 1.10 0.77 -1.33 0.00 0.00 177.39 180.05 2aff h SER 23 N 2.53 0.00 -3.85 -1.43 4.64 -1.91 -3.41 113.55 110.12 2aff h SER 23 Ca 0.25 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.07 2aff h SER 23 Cb 1.09 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.20 2aff h SER 23 CO 0.50 0.00 0.46 -0.76 -0.87 0.00 0.00 176.83 176.16 2aff s LEU 24 N -8.56 4.42 0.34 5.97 1.43 -1.26 -4.92 118.68 116.10 2aff s LEU 24 Ca -0.05 2.22 0.27 0.00 -1.03 0.00 0.00 54.13 55.53 2aff s LEU 24 Cb 0.17 -3.79 1.07 0.00 0.03 0.00 0.00 46.19 43.66 2aff s LEU 24 CO 0.64 -0.27 1.79 0.28 0.23 0.00 0.00 176.35 179.02 2aff h SER 25 N 3.40 0.00 -3.77 2.29 0.02 -1.90 -3.43 113.55 110.16 2aff h SER 25 Ca -0.47 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.09 2aff h SER 25 Cb 1.21 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.45 2aff h SER 25 CO 0.65 0.00 -0.77 -0.89 -1.14 0.00 0.00 176.83 174.68 2aff s THR 26 N -3.40 0.59 -0.09 -2.27 2.01 -1.26 -0.25 115.64 110.97 2aff s THR 26 Ca 0.04 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.79 2aff s THR 26 Cb 0.09 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 72.08 2aff s THR 26 CO 0.46 0.20 -0.07 0.00 -0.69 0.00 0.00 174.62 174.51 2aff s LEU 28 N 1.46 2.35 -0.02 0.00 2.96 -1.26 0.02 118.68 124.20 2aff s LEU 28 Ca -0.01 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 2aff s LEU 28 Cb -0.13 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 2aff s LEU 28 CO -0.04 0.17 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.79 2aff s PHE 29 N 0.32 3.07 -5.00 5.38 0.40 0.21 0.48 117.98 122.84 2aff s PHE 29 Ca -0.15 0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 2aff s PHE 29 Cb -0.17 -1.69 0.00 0.00 0.51 0.00 0.00 43.02 41.67 2aff s PHE 29 CO 0.07 0.45 0.00 0.41 0.70 0.00 0.00 175.22 176.85 2aff n GLY 30 N 1.57 -0.39 0.18 4.36 0.00 -0.84 -2.40 105.19 107.67 2aff n GLY 30 Ca -0.15 -1.69 -0.04 0.00 0.00 0.00 0.00 46.02 44.13 2aff n GLY 30 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aff h ARG 31 N 3.94 0.24 -6.44 1.61 3.08 -1.42 -2.78 114.38 112.61 2aff h ARG 31 Ca 0.00 -0.15 -0.60 0.00 0.07 0.00 0.00 59.98 59.30 2aff h ARG 31 Cb 0.00 0.01 0.13 0.00 0.08 0.00 0.00 29.97 30.20 2aff h ARG 31 CO 0.00 0.71 -0.14 0.41 -1.07 0.00 0.00 179.97 179.88 2aff n GLY 32 N 0.10 -0.89 0.27 0.04 0.00 -0.83 -4.77 105.19 99.10 2aff n GLY 32 Ca -0.02 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 2aff n GLY 32 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2aff h ILE 33 N 1.22 1.26 -0.11 -0.61 6.09 -1.90 -1.81 117.51 121.66 2aff h ILE 33 Ca -0.41 -1.09 0.03 0.00 -1.37 0.00 0.00 64.86 62.02 2aff h ILE 33 Cb 1.37 0.94 -0.00 0.00 0.47 0.00 0.00 36.82 39.60 2aff h ILE 33 CO 0.55 0.39 0.28 -0.33 -3.07 0.00 0.00 178.15 175.96 2aff h GLU 34 N 0.78 0.00 -6.25 2.19 5.08 -1.96 -3.41 114.58 111.02 2aff h GLU 34 Ca 0.15 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.91 2aff h GLU 34 Cb 0.53 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.79 2aff h GLU 34 CO 0.03 0.00 1.20 0.00 -1.00 0.00 0.00 179.01 179.24 2aff h ASP 36 N 10.43 0.00 -3.70 0.00 3.32 -0.21 -3.31 116.42 122.96 2aff h ASP 36 Ca -0.47 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 55.95 2aff h ASP 36 Cb 1.26 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.43 2aff h ASP 36 CO 0.95 0.00 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.06 2aff s ILE 37 N -4.78 1.78 -0.17 0.35 -1.09 -0.03 -4.93 121.20 112.34 2aff s ILE 37 Ca -0.05 -1.48 -0.07 0.00 -2.23 0.00 0.00 60.65 56.82 2aff s ILE 37 Cb 0.16 -2.04 -0.04 0.00 -1.58 0.00 0.00 42.46 38.96 2aff s ILE 37 CO 0.59 -0.15 0.09 -0.60 -1.23 0.00 0.00 174.94 173.64 2aff s ARG 38 N 1.26 3.83 -0.08 2.79 3.52 -1.25 -1.99 118.95 127.04 2aff s ARG 38 Ca -0.04 -0.27 0.04 0.00 -0.13 0.00 0.00 55.73 55.32 2aff s ARG 38 Cb -0.19 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 2aff s ARG 38 CO -0.07 0.42 -0.20 0.42 -0.81 0.00 0.00 175.30 175.07 2aff s ILE 39 N -0.04 1.70 -0.32 4.11 1.01 -1.05 -4.96 121.20 121.65 2aff s ILE 39 Ca 0.08 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 2aff s ILE 39 Cb -0.12 -1.48 0.12 0.00 0.01 0.00 0.00 42.46 40.99 2aff s ILE 39 CO 0.00 0.48 2.36 0.00 0.00 0.00 0.00 174.94 177.79 2aff n GLN 40 N 3.47 1.95 -3.48 2.79 -0.00 -1.26 -4.14 117.38 116.70 2aff n GLN 40 Ca -0.20 -1.66 -0.37 0.00 -0.00 0.00 0.00 57.00 54.78 2aff n GLN 40 Cb 0.52 -1.76 -0.07 0.00 -0.00 0.00 0.00 30.24 28.93 2aff n GLN 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2aff s LEU 41 N -1.68 4.22 0.18 2.61 1.43 -1.26 -4.98 118.68 119.21 2aff s LEU 41 Ca 0.40 0.53 0.21 0.00 -1.03 0.00 0.00 54.13 54.25 2aff s LEU 41 Cb 0.28 -2.44 0.88 0.00 0.03 0.00 0.00 46.19 44.94 2aff s LEU 41 CO -0.07 0.05 1.66 -0.81 0.23 0.00 0.00 176.35 177.40 2aff n PRO 42 N 3.81 0.14 -0.21 1.29 -0.04 -1.26 -2.43 135.00 136.30 2aff n PRO 42 Ca -0.11 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 2aff n PRO 42 Cb 0.52 -1.76 0.22 0.00 -0.04 0.00 0.00 33.50 32.44 2aff n PRO 42 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2aff n VAL 43 N -2.03 0.57 -3.63 0.52 0.24 -1.26 -4.94 118.33 107.80 2aff n VAL 43 Ca 0.03 -0.78 -0.38 0.00 -2.04 0.00 0.00 64.34 61.17 2aff n VAL 43 Cb 0.23 0.93 -0.06 0.00 -1.47 0.00 0.00 33.84 33.46 2aff n VAL 43 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2aff s VAL 44 N -1.41 5.21 0.99 3.34 1.01 -1.02 -4.93 120.40 123.59 2aff s VAL 44 Ca 0.39 0.61 -0.12 0.00 0.00 0.00 0.00 61.98 62.87 2aff s VAL 44 Cb 0.23 -3.60 0.18 0.00 0.00 0.00 0.00 36.38 33.19 2aff s VAL 44 CO 0.31 0.57 1.08 -0.55 0.00 0.00 0.00 175.10 176.52 2aff s SER 45 N -0.92 2.55 0.14 3.32 0.15 -1.26 -4.62 113.70 113.06 2aff s SER 45 Ca 0.20 1.57 -0.15 0.00 0.70 0.00 0.00 55.95 58.27 2aff s SER 45 Cb -0.15 -2.23 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 2aff s SER 45 CO 0.10 -3.23 1.67 0.11 1.20 0.00 0.00 173.24 173.09 2aff h LYS 46 N -1.95 0.69 0.00 5.44 1.57 -1.95 -2.63 116.57 117.74 2aff h LYS 46 Ca -0.53 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 2aff h LYS 46 Cb 1.30 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2aff h LYS 46 CO 0.52 0.66 -0.54 1.04 -0.57 0.00 0.00 179.45 180.56 2aff n GLN 47 N -4.56 3.76 0.00 3.15 6.02 -1.26 -1.97 117.38 122.52 2aff n GLN 47 Ca 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2aff n GLN 47 Cb 0.18 -0.90 0.00 0.00 1.02 0.00 0.00 30.24 30.54 2aff n GLN 47 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2aff n HIS 48 N -1.29 0.00 -4.19 1.08 -0.00 -1.08 -3.89 115.22 105.86 2aff n HIS 48 Ca 0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.56 2aff n HIS 48 Cb 0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.97 2aff n HIS 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2aff s LYS 50 N -0.09 1.81 -0.11 0.00 2.20 -0.70 0.66 119.74 123.50 2aff s LYS 50 Ca 0.02 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 2aff s LYS 50 Cb -0.03 -1.49 -0.02 0.00 -1.51 0.00 0.00 37.83 34.79 2aff s LYS 50 CO -0.00 0.08 -0.12 0.42 -0.36 0.00 0.00 175.35 175.37 2aff s ILE 51 N 0.51 3.20 -0.16 5.43 1.01 0.10 0.21 121.20 131.51 2aff s ILE 51 Ca -0.13 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 59.90 2aff s ILE 51 Cb -0.15 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.00 2aff s ILE 51 CO 0.04 0.54 -0.17 -0.70 0.00 0.00 0.00 174.94 174.65 2aff s GLU 52 N 0.02 3.12 -0.28 2.79 2.12 0.30 -1.82 118.70 124.96 2aff s GLU 52 Ca -0.04 -0.79 -0.07 0.00 0.36 0.00 0.00 54.97 54.44 2aff s GLU 52 Cb -0.14 -2.60 -0.01 0.00 0.26 0.00 0.00 34.13 31.64 2aff s GLU 52 CO 0.04 -0.07 0.08 0.42 -0.54 0.00 0.00 175.26 175.18 2aff s ILE 53 N 1.01 4.14 -0.07 -3.70 1.01 0.65 -0.44 121.20 123.80 2aff s ILE 53 Ca -0.02 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.19 2aff s ILE 53 Cb -0.15 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 2aff s ILE 53 CO -0.04 0.19 -0.08 -1.00 0.00 0.00 0.00 174.94 174.01 2aff s HIS 54 N 1.56 2.91 0.51 3.97 3.76 0.11 -4.87 115.29 123.24 2aff s HIS 54 Ca 0.04 -0.01 0.42 0.00 -0.15 0.00 0.00 55.06 55.36 2aff s HIS 54 Cb -0.16 -1.71 1.62 0.00 1.11 0.00 0.00 32.58 33.45 2aff s HIS 54 CO 0.03 0.30 1.59 1.49 -0.85 0.00 0.00 174.74 177.30 2aff h GLU 55 N 5.31 0.01 0.28 1.40 4.81 -2.00 0.33 114.58 124.72 2aff h GLU 55 Ca -0.48 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2aff h GLU 55 Cb 1.17 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2aff h GLU 55 CO 0.52 0.01 -0.14 0.37 -0.73 0.00 0.00 179.01 179.05 2aff h GLN 56 N 0.01 -0.36 0.00 1.92 4.15 -2.02 -3.49 115.11 115.33 2aff h GLN 56 Ca 0.89 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 60.26 2aff h GLN 56 Cb 3.29 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 31.04 2aff h GLN 56 CO -0.20 -0.24 -0.02 -0.85 -1.93 0.00 0.00 178.83 175.59 2aff n GLU 57 N -3.37 0.27 -4.70 1.69 -0.00 0.12 -5.16 120.64 109.48 2aff n GLU 57 Ca -0.05 -0.90 -0.33 0.00 -0.00 0.00 0.00 57.16 55.89 2aff n GLU 57 Cb 0.15 0.91 -0.14 0.00 -0.00 0.00 0.00 31.44 32.35 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2aff s ALA 58 N -1.85 2.64 -0.10 -1.84 0.00 -1.26 0.09 121.76 119.44 2aff s ALA 58 Ca 0.09 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.17 2aff s ALA 58 Cb -0.01 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 2aff s ALA 58 CO 0.06 0.20 -0.21 0.42 0.00 0.00 0.00 175.76 176.23 2aff s ILE 59 N 0.43 2.37 -0.20 0.00 1.01 0.42 0.13 121.20 125.35 2aff s ILE 59 Ca -0.09 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 2aff s ILE 59 Cb -0.16 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 2aff s ILE 59 CO 0.05 0.55 0.20 -0.22 0.00 0.00 0.00 174.94 175.52 2aff s LEU 60 N 0.26 4.18 -0.08 2.97 2.96 -0.43 -0.54 118.68 128.01 2aff s LEU 60 Ca -0.14 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 2aff s LEU 60 Cb -0.17 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 2aff s LEU 60 CO 0.07 0.10 -0.16 -1.00 -1.32 0.00 0.00 176.35 174.05 2aff s HIS 61 N 0.68 2.69 -0.50 5.38 3.76 0.13 -2.38 115.29 125.06 2aff s HIS 61 Ca 0.11 -0.40 -0.17 0.00 -0.15 0.00 0.00 55.06 54.44 2aff s HIS 61 Cb -0.12 -1.69 0.07 0.00 1.11 0.00 0.00 32.58 31.94 2aff s HIS 61 CO 0.02 -0.00 0.51 1.21 -0.85 0.00 0.00 174.74 175.63 2aff s ASN 62 N -0.29 6.18 0.01 1.40 3.84 -1.26 -1.73 114.94 123.09 2aff s ASN 62 Ca 0.02 -1.19 0.22 0.00 0.21 0.00 0.00 52.86 52.12 2aff s ASN 62 Cb -0.13 -2.24 -0.01 0.00 -0.55 0.00 0.00 41.25 38.33 2aff s ASN 62 CO 0.03 -0.79 1.02 0.49 -2.79 0.00 0.00 177.10 175.06 2aff n PHE 63 N 5.67 0.06 -2.29 0.43 3.01 -0.22 -4.82 117.46 119.30 2aff n PHE 63 Ca -0.10 0.02 -0.39 0.00 1.01 0.00 0.00 57.45 57.99 2aff n PHE 63 Cb 0.44 -0.18 -0.03 0.00 -0.01 0.00 0.00 39.48 39.69 2aff n PHE 63 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2aff s SER 64 N -3.30 5.71 0.12 4.37 1.04 -0.09 -4.66 113.70 116.89 2aff s SER 64 Ca 0.07 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.30 2aff s SER 64 Cb 0.16 -2.55 -0.17 0.00 0.10 0.00 0.00 66.02 63.56 2aff s SER 64 CO 0.82 -2.12 1.26 0.28 0.98 0.00 0.00 173.24 174.45 2aff h SER 65 N 12.27 0.25 -0.03 7.02 0.02 -1.90 -3.00 113.55 128.17 2aff h SER 65 Ca -0.20 -0.25 -0.19 0.00 -0.84 0.00 0.00 61.79 60.32 2aff h SER 65 Cb 1.09 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.57 2aff h SER 65 CO 1.26 1.14 -0.71 0.74 -1.14 0.00 0.00 176.83 178.12 2aff h THR 66 N 0.07 1.37 -2.86 -2.27 2.02 -2.00 -3.41 112.91 105.82 2aff h THR 66 Ca -0.07 -2.06 -0.57 0.00 0.77 0.00 0.00 66.41 64.48 2aff h THR 66 Cb 1.76 2.41 -0.40 0.00 -1.74 0.00 0.00 68.15 70.19 2aff h THR 66 CO 0.16 0.62 -0.79 0.20 0.37 0.00 0.00 175.52 176.08 2aff s ASN 67 N -6.90 3.52 0.43 4.18 0.01 -1.25 -5.13 114.94 109.80 2aff s ASN 67 Ca -0.12 -1.91 -0.25 0.00 -0.71 0.00 0.00 52.86 49.88 2aff s ASN 67 Cb 0.05 -0.63 -0.10 0.00 0.41 0.00 0.00 41.25 40.98 2aff s ASN 67 CO 0.85 -0.36 1.15 -2.65 -1.51 0.00 0.00 177.10 174.58 2aff n PRO 68 N 4.46 1.63 -2.04 -0.60 -0.02 -1.13 -4.62 135.00 132.67 2aff n PRO 68 Ca 0.03 0.58 -0.34 0.00 -2.02 0.00 0.00 63.50 61.76 2aff n PRO 68 Cb 0.39 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.67 2aff n PRO 68 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2aff s THR 69 N -1.24 3.36 -0.02 3.45 2.01 -1.26 -4.85 115.64 117.08 2aff s THR 69 Ca 0.63 0.72 0.05 0.00 0.31 0.00 0.00 61.69 63.40 2aff s THR 69 Cb -0.53 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 2aff s THR 69 CO 0.57 -0.31 -0.17 -1.10 -0.69 0.00 0.00 174.62 172.92 2aff s GLN 70 N -3.75 2.34 -0.02 4.92 -0.21 -0.43 -0.98 119.66 121.53 2aff s GLN 70 Ca 0.68 -0.80 0.03 0.00 0.02 0.00 0.00 55.36 55.29 2aff s GLN 70 Cb -0.20 -2.28 -0.00 0.00 1.00 0.00 0.00 33.01 31.52 2aff s GLN 70 CO 0.34 0.59 -0.11 0.54 -2.12 0.00 0.00 175.29 174.53 2aff s VAL 71 N -0.76 0.93 -1.01 1.09 0.11 0.63 0.21 120.40 121.60 2aff s VAL 71 Ca 0.12 -0.47 -0.04 0.00 -2.93 0.00 0.00 61.98 58.67 2aff s VAL 71 Cb -0.10 -0.80 0.03 0.00 -1.53 0.00 0.00 36.38 33.98 2aff s VAL 71 CO 0.01 0.27 0.19 0.59 -3.33 0.00 0.00 175.10 172.84 2aff n ASN 72 N 3.06 -3.44 -1.03 3.54 3.02 -0.77 0.21 115.26 119.85 2aff n ASN 72 Ca -0.16 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.30 2aff n ASN 72 Cb 0.55 -2.91 -0.01 0.00 -0.61 0.00 0.00 39.78 36.80 2aff n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aff n GLY 73 N -0.91 0.12 2.85 7.41 0.00 -1.26 -5.02 105.19 108.38 2aff n GLY 73 Ca -0.08 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 2aff n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2aff s SER 74 N -2.61 0.01 0.27 1.61 0.15 0.55 -5.10 113.70 108.58 2aff s SER 74 Ca 0.00 0.03 -0.30 0.00 0.70 0.00 0.00 55.95 56.38 2aff s SER 74 Cb 0.00 -0.00 -0.10 0.00 -1.71 0.00 0.00 66.02 64.21 2aff s SER 74 CO 0.00 -0.04 1.44 -0.69 1.20 0.00 0.00 173.24 175.15 2aff s VAL 75 N 0.30 2.59 -0.89 4.45 1.01 -1.26 0.23 120.40 126.82 2aff s VAL 75 Ca -0.02 0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 2aff s VAL 75 Cb -0.04 -3.32 0.23 0.00 0.00 0.00 0.00 36.38 33.25 2aff s VAL 75 CO -0.01 0.09 0.86 2.30 0.00 0.00 0.00 175.10 178.34 2aff n ILE 76 N 2.01 3.20 0.06 2.22 -5.35 -0.15 -4.84 119.36 116.52 2aff n ILE 76 Ca 0.06 -5.22 0.05 0.00 -0.27 0.00 0.00 62.75 57.37 2aff n ILE 76 Cb 0.40 -2.32 0.48 0.00 -1.74 0.00 0.00 39.64 36.46 2aff n ILE 76 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2aff h ASP 77 N 5.72 0.35 -2.29 7.28 3.58 -1.93 -3.43 116.42 125.70 2aff h ASP 77 Ca 0.17 -0.01 -0.56 0.00 0.42 0.00 0.00 57.03 57.05 2aff h ASP 77 Cb 0.77 -0.09 -0.10 0.00 1.72 0.00 0.00 39.33 41.64 2aff h ASP 77 CO 0.91 0.25 -0.65 -1.61 -2.88 0.00 0.00 179.24 175.26 2aff s GLU 78 N -5.39 2.29 0.66 0.28 2.02 -1.26 -4.89 118.70 112.41 2aff s GLU 78 Ca -0.07 -1.39 -0.16 0.00 0.02 0.00 0.00 54.97 53.37 2aff s GLU 78 Cb 0.17 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 32.23 2aff s GLU 78 CO 0.72 0.37 1.13 -1.25 0.02 0.00 0.00 175.26 176.25 2aff s PRO 79 N -3.58 2.76 -0.02 0.39 0.04 -1.26 -4.82 135.00 128.51 2aff s PRO 79 Ca 0.31 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 2aff s PRO 79 Cb -0.07 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.55 2aff s PRO 79 CO 0.20 -1.30 0.26 0.14 0.04 0.00 0.00 177.00 176.34 2aff s VAL 80 N -2.21 0.06 0.12 -0.36 -7.23 -1.00 -5.00 120.40 104.77 2aff s VAL 80 Ca 0.69 -0.49 -0.30 0.00 -1.81 0.00 0.00 61.98 60.07 2aff s VAL 80 Cb -0.22 -0.55 -0.07 0.00 0.56 0.00 0.00 36.38 36.10 2aff s VAL 80 CO 0.40 -0.27 1.22 -0.13 -0.31 0.00 0.00 175.10 176.01 2aff s ARG 81 N -1.20 4.45 0.24 4.82 0.52 -1.26 -1.31 118.95 125.20 2aff s ARG 81 Ca -0.13 1.84 -0.28 0.00 -0.52 0.00 0.00 55.73 56.65 2aff s ARG 81 Cb -0.06 -3.29 -0.09 0.00 0.52 0.00 0.00 34.95 32.03 2aff s ARG 81 CO 0.03 -0.20 0.90 -0.51 0.02 0.00 0.00 175.30 175.55 2aff s LEU 82 N 0.52 4.57 0.09 2.53 1.43 0.34 -4.91 118.68 123.25 2aff s LEU 82 Ca 0.57 1.85 0.03 0.00 -1.03 0.00 0.00 54.13 55.56 2aff s LEU 82 Cb -0.31 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.24 2aff s LEU 82 CO 0.32 0.12 -0.10 -0.54 0.23 0.00 0.00 176.35 176.39 2aff s LYS 83 N -1.36 0.79 -0.16 1.70 1.02 -1.26 -4.42 119.74 116.05 2aff s LYS 83 Ca 0.42 -1.10 -0.33 0.00 0.02 0.00 0.00 55.97 54.98 2aff s LYS 83 Cb -0.24 -0.48 -0.11 0.00 -0.52 0.00 0.00 37.83 36.49 2aff s LYS 83 CO 0.29 0.07 2.00 1.58 -0.92 0.00 0.00 175.35 178.37 2aff n HIS 84 N 0.69 2.13 0.00 3.18 -0.00 -1.26 -0.10 115.22 119.86 2aff n HIS 84 Ca -0.17 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 2aff n HIS 84 Cb 0.57 -2.65 0.00 0.00 -0.00 0.00 0.00 29.99 27.91 2aff n HIS 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2aff n GLY 85 N 5.05 2.35 3.68 1.57 0.00 -0.74 -4.98 105.19 112.11 2aff n GLY 85 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 2aff n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aff s ASP 86 N -1.76 6.65 -0.15 1.61 -1.08 0.85 -4.76 116.67 118.04 2aff s ASP 86 Ca 0.00 2.36 -0.06 0.00 -0.52 0.00 0.00 52.55 54.33 2aff s ASP 86 Cb 0.00 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.87 2aff s ASP 86 CO 0.00 -0.88 0.05 0.54 0.52 0.00 0.00 175.17 175.40 2aff s VAL 87 N 3.09 4.70 -0.12 1.11 0.11 -1.26 -2.14 120.40 125.90 2aff s VAL 87 Ca 0.73 -0.08 -0.17 0.00 -2.93 0.00 0.00 61.98 59.53 2aff s VAL 87 Cb -0.37 -3.08 -0.04 0.00 -1.53 0.00 0.00 36.38 31.36 2aff s VAL 87 CO 0.31 0.51 0.45 -0.63 -3.33 0.00 0.00 175.10 172.41 2aff s ILE 88 N -0.03 5.20 -0.12 7.04 -1.09 0.07 -1.85 121.20 130.43 2aff s ILE 88 Ca 0.06 0.89 0.03 0.00 -2.23 0.00 0.00 60.65 59.40 2aff s ILE 88 Cb -0.12 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 36.98 2aff s ILE 88 CO 0.01 0.35 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.98 2aff s THR 89 N 0.53 1.85 -0.12 2.92 2.01 0.58 0.04 115.64 123.45 2aff s THR 89 Ca 0.25 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.41 2aff s THR 89 Cb -0.15 -1.64 0.01 0.00 0.01 0.00 0.00 72.50 70.72 2aff s THR 89 CO 0.10 0.51 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.68 2aff s ILE 90 N 0.76 2.02 -0.06 1.82 1.01 0.59 -1.32 121.20 126.02 2aff s ILE 90 Ca -0.10 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.56 2aff s ILE 90 Cb -0.16 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 2aff s ILE 90 CO 0.01 0.55 0.16 -0.38 0.00 0.00 0.00 174.94 175.27 2aff n ILE 91 N 3.79 0.00 0.00 2.92 5.41 -1.26 0.37 119.36 130.59 2aff n ILE 91 Ca -0.20 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2aff n ILE 91 Cb 0.52 -0.03 0.00 0.00 -0.71 0.00 0.00 39.64 39.42 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2aff n ASP 92 N 0.61 0.00 -4.06 4.38 -0.08 -1.26 -5.01 116.55 111.13 2aff n ASP 92 Ca 0.04 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.12 2aff n ASP 92 Cb 0.00 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.31 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2aff s ARG 93 N -0.49 0.91 0.03 -0.67 0.52 1.18 -4.35 118.95 116.07 2aff s ARG 93 Ca 0.00 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 54.84 2aff s ARG 93 Cb 0.00 -0.88 -0.02 0.00 0.52 0.00 0.00 34.95 34.57 2aff s ARG 93 CO 0.00 0.24 -0.08 0.45 0.02 0.00 0.00 175.30 175.92 2aff s SER 94 N -0.25 0.93 -0.12 0.23 0.15 -1.26 0.22 113.70 113.60 2aff s SER 94 Ca 0.04 -0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.28 2aff s SER 94 Cb -0.04 -0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.27 2aff s SER 94 CO -0.00 -0.10 -0.17 -0.36 1.20 0.00 0.00 173.24 173.81 2aff s PHE 95 N -0.99 2.18 -0.02 3.44 0.40 0.11 -1.90 117.98 121.20 2aff s PHE 95 Ca -0.05 -1.08 -0.21 0.00 -0.60 0.00 0.00 56.93 54.99 2aff s PHE 95 Cb -0.08 -1.55 -0.05 0.00 0.51 0.00 0.00 43.02 41.85 2aff s PHE 95 CO 0.00 -0.54 0.62 1.03 0.70 0.00 0.00 175.22 177.03 2aff s ARG 96 N 1.02 4.36 -0.22 0.44 0.52 -0.93 -0.75 118.95 123.38 2aff s ARG 96 Ca -0.05 0.77 -0.15 0.00 -0.52 0.00 0.00 55.73 55.78 2aff s ARG 96 Cb -0.15 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 2aff s ARG 96 CO -0.03 0.28 0.36 -0.47 0.02 0.00 0.00 175.30 175.46 2aff s TYR 97 N 0.10 3.34 -0.10 -0.53 5.04 -0.91 -2.24 117.35 122.05 2aff s TYR 97 Ca 0.33 0.53 0.03 0.00 -2.44 0.00 0.00 57.07 55.51 2aff s TYR 97 Cb -0.18 -2.50 0.01 0.00 0.35 0.00 0.00 41.96 39.64 2aff s TYR 97 CO 0.17 -0.04 -0.19 -1.21 -1.34 0.00 0.00 175.55 172.95 2aff s GLU 98 N 1.41 2.55 -0.19 4.97 2.02 -0.38 -1.80 118.70 127.28 2aff s GLU 98 Ca 0.17 -0.70 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 2aff s GLU 98 Cb -0.15 -2.04 0.05 0.00 0.10 0.00 0.00 34.13 32.09 2aff s GLU 98 CO 0.08 0.04 -0.02 1.21 0.02 0.00 0.00 175.26 176.59 2aff s ASN 99 N 0.69 3.07 0.00 -0.19 3.84 -1.26 -0.73 114.94 120.36 2aff s ASN 99 Ca -0.12 -0.83 0.00 0.00 0.21 0.00 0.00 52.86 52.12 2aff s ASN 99 Cb -0.16 -0.86 0.00 0.00 -0.55 0.00 0.00 41.25 39.68 2aff s ASN 99 CO 0.03 -0.24 0.00 1.21 -2.79 0.00 0.00 177.10 175.31