#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 0.71 -3.37 0.52 1.35 -1.97 -3.46 112.91 106.69 2aff h THR 4 Ca 0.00 -2.40 -0.58 0.00 -0.55 0.00 0.00 66.41 62.88 2aff h THR 4 Cb 0.00 2.56 -0.07 0.00 -1.73 0.00 0.00 68.15 68.91 2aff h THR 4 CO 0.00 0.88 0.12 -0.13 -0.25 0.00 0.00 175.52 176.14 2aff s ARG 5 N -2.57 4.33 -0.04 4.72 0.52 -1.26 -0.71 118.95 123.94 2aff s ARG 5 Ca -0.20 0.76 0.03 0.00 -0.52 0.00 0.00 55.73 55.80 2aff s ARG 5 Cb 0.06 -3.51 0.01 0.00 0.52 0.00 0.00 34.95 32.03 2aff s ARG 5 CO 0.79 -0.09 -0.12 1.03 0.02 0.00 0.00 175.30 176.93 2aff s ARG 6 N 1.38 1.40 -0.13 3.54 0.52 -0.70 -2.08 118.95 122.88 2aff s ARG 6 Ca 0.33 -0.41 0.02 0.00 -0.52 0.00 0.00 55.73 55.15 2aff s ARG 6 Cb -0.17 -1.22 -0.00 0.00 0.52 0.00 0.00 34.95 34.08 2aff s ARG 6 CO 0.14 0.11 -0.18 -1.17 0.02 0.00 0.00 175.30 174.22 2aff s LEU 7 N 0.34 2.40 -0.12 2.53 2.96 -0.87 -1.39 118.68 124.53 2aff s LEU 7 Ca -0.07 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 2aff s LEU 7 Cb -0.12 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 2aff s LEU 7 CO 0.02 0.14 0.02 0.68 -1.32 0.00 0.00 176.35 175.88 2aff s VAL 8 N 0.51 4.42 -0.30 1.68 -7.23 -0.99 0.96 120.40 119.45 2aff s VAL 8 Ca -0.12 -0.19 -0.16 0.00 -1.81 0.00 0.00 61.98 59.70 2aff s VAL 8 Cb -0.16 -2.91 -0.02 0.00 0.56 0.00 0.00 36.38 33.85 2aff s VAL 8 CO 0.05 0.56 0.41 -0.89 -0.31 0.00 0.00 175.10 174.92 2aff s THR 9 N -0.41 5.13 0.26 5.32 2.01 -0.93 -2.41 115.64 124.60 2aff s THR 9 Ca 0.08 0.43 -0.20 0.00 0.31 0.00 0.00 61.69 62.31 2aff s THR 9 Cb -0.12 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.51 2aff s THR 9 CO 0.02 0.01 0.77 -0.63 -0.69 0.00 0.00 174.62 174.10 2aff s ILE 10 N 2.15 4.53 0.35 1.82 1.01 -0.98 -1.44 121.20 128.63 2aff s ILE 10 Ca 0.16 1.32 0.03 0.00 0.00 0.00 0.00 60.65 62.15 2aff s ILE 10 Cb -0.16 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 2aff s ILE 10 CO 0.11 0.11 0.53 -0.54 0.00 0.00 0.00 174.94 175.15 2aff s LYS 11 N -2.20 3.29 0.56 2.79 1.02 -0.25 -4.50 119.74 120.45 2aff s LYS 11 Ca 0.47 -0.60 0.25 0.00 0.02 0.00 0.00 55.97 56.10 2aff s LYS 11 Cb -0.16 -2.71 1.56 0.00 -0.52 0.00 0.00 37.83 36.00 2aff s LYS 11 CO 0.20 0.08 2.15 0.00 -0.92 0.00 0.00 175.35 176.86 2aff h ARG 12 N 0.77 0.00 -0.00 1.68 3.08 -1.89 0.41 114.38 118.43 2aff h ARG 12 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 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 0.58 0.00 -0.09 -1.13 -1.07 0.00 0.00 179.97 178.26 2aff n SER 13 N -4.11 0.10 -0.15 7.04 3.41 -1.26 -4.90 113.62 113.74 2aff n SER 13 Ca -0.00 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 2aff n SER 13 Cb 0.21 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 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 1.49 1.08 3.28 5.00 0.00 0.14 -5.09 105.19 111.10 2aff n GLY 14 Ca 0.07 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.29 2.33 -0.00 1.61 1.01 -1.24 -4.84 120.40 116.97 2aff s VAL 15 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 2aff s VAL 15 Cb 0.00 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.42 2aff s VAL 15 CO 0.00 0.56 1.46 -0.62 0.00 0.00 0.00 175.10 176.49 2aff s ASP 16 N 0.11 6.80 0.00 3.32 -1.08 -1.26 -1.09 116.67 123.46 2aff s ASP 16 Ca -0.10 2.16 0.00 0.00 -0.52 0.00 0.00 52.55 54.09 2aff s ASP 16 Cb -0.16 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 2aff s ASP 16 CO 0.06 -0.76 0.00 0.61 0.52 0.00 0.00 175.17 175.60 2aff n GLY 17 N 3.74 1.72 3.78 2.66 0.00 -0.52 -4.97 105.19 111.60 2aff n GLY 17 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 3.89 3.64 -0.00 1.61 0.04 -1.26 -4.70 135.00 138.22 2aff s PRO 18 Ca 0.00 1.66 0.01 0.00 0.04 0.00 0.00 61.00 62.70 2aff s PRO 18 Cb 0.00 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2aff s PRO 18 CO 0.00 -0.62 0.03 -3.38 0.04 0.00 0.00 177.00 173.07 2aff s HIS 19 N -1.68 3.16 -0.41 0.56 -3.43 -1.26 -2.19 115.29 110.03 2aff s HIS 19 Ca 0.67 0.13 -0.04 0.00 -0.80 0.00 0.00 55.06 55.02 2aff s HIS 19 Cb -0.25 -1.70 0.11 0.00 -1.43 0.00 0.00 32.58 29.31 2aff s HIS 19 CO 0.30 0.50 0.21 0.12 -2.00 0.00 0.00 174.74 173.86 2aff s PHE 20 N -1.12 3.54 0.02 0.38 5.36 0.27 -4.95 117.98 121.48 2aff s PHE 20 Ca 0.21 -2.28 -0.30 0.00 -0.96 0.00 0.00 56.93 53.60 2aff s PHE 20 Cb -0.12 -3.16 -0.04 0.00 -0.34 0.00 0.00 43.02 39.36 2aff s PHE 20 CO 0.11 -0.96 1.15 -1.25 -1.46 0.00 0.00 175.22 172.82 2aff s PRO 21 N 1.19 4.44 -1.23 10.12 0.04 -1.26 -2.04 135.00 146.25 2aff s PRO 21 Ca 0.07 1.67 -0.17 0.00 0.04 0.00 0.00 61.00 62.61 2aff s PRO 21 Cb -0.23 -3.42 0.11 0.00 0.04 0.00 0.00 34.50 31.00 2aff s PRO 21 CO -0.03 -0.26 1.59 -0.51 0.04 0.00 0.00 177.00 177.83 2aff s LEU 22 N 1.33 4.29 0.11 -3.56 1.43 -0.88 -4.65 118.68 116.74 2aff s LEU 22 Ca 0.56 -2.56 0.25 0.00 -1.03 0.00 0.00 54.13 51.36 2aff s LEU 22 Cb -0.26 -2.51 0.55 0.00 0.03 0.00 0.00 46.19 44.00 2aff s LEU 22 CO 0.27 -1.04 1.49 -1.54 0.23 0.00 0.00 176.35 175.76 2aff n SER 23 N 7.39 0.63 -4.90 2.29 3.41 -1.26 -4.66 113.62 116.52 2aff n SER 23 Ca 0.43 0.20 -0.34 0.00 -0.26 0.00 0.00 58.87 58.90 2aff n SER 23 Cb 0.45 -0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 2aff n SER 23 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2aff s LEU 24 N -4.00 4.37 0.33 1.04 1.43 -1.26 -4.99 118.68 115.60 2aff s LEU 24 Ca 0.09 0.36 0.26 0.00 -1.03 0.00 0.00 54.13 53.81 2aff s LEU 24 Cb 0.14 -2.54 1.12 0.00 0.03 0.00 0.00 46.19 44.93 2aff s LEU 24 CO 0.67 0.28 1.77 0.77 0.23 0.00 0.00 176.35 180.08 2aff h SER 25 N 3.96 0.00 -3.54 2.29 4.64 -1.91 -3.42 113.55 115.57 2aff h SER 25 Ca -0.50 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.31 2aff h SER 25 Cb 1.19 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.95 2aff h SER 25 CO 0.68 0.00 -0.82 -0.89 -0.87 0.00 0.00 176.83 174.93 2aff s THR 26 N -3.43 1.15 -0.11 2.95 2.01 -1.26 -0.73 115.64 116.22 2aff s THR 26 Ca 0.03 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.52 2aff s THR 26 Cb 0.09 -1.04 0.02 0.00 0.01 0.00 0.00 72.50 71.58 2aff s THR 26 CO 0.40 0.35 -0.10 0.00 -0.69 0.00 0.00 174.62 174.58 2aff s LEU 28 N 1.43 2.59 -0.06 0.00 2.96 -1.26 0.05 118.68 124.39 2aff s LEU 28 Ca 0.01 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 2aff s LEU 28 Cb -0.13 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 2aff s LEU 28 CO -0.06 0.17 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.70 2aff s PHE 29 N 0.28 2.88 -5.00 5.38 0.40 0.35 0.22 117.98 122.49 2aff s PHE 29 Ca -0.11 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 2aff s PHE 29 Cb -0.16 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 41.69 2aff s PHE 29 CO 0.06 0.30 0.00 0.41 0.70 0.00 0.00 175.22 176.69 2aff n GLY 30 N 2.17 -0.42 0.20 4.36 0.00 -0.73 -2.00 105.19 108.77 2aff n GLY 30 Ca -0.17 -1.47 0.07 0.00 0.00 0.00 0.00 46.02 44.45 2aff n GLY 30 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2aff n ARG 31 N 0.00 1.97 -0.60 1.61 1.85 -0.91 -2.28 116.66 118.31 2aff n ARG 31 Ca 0.00 -2.35 -0.11 0.00 -1.00 0.00 0.00 57.85 54.39 2aff n ARG 31 Cb 0.00 -1.43 0.06 0.00 -1.05 0.00 0.00 32.46 30.04 2aff n ARG 31 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2aff n GLY 32 N -1.00 3.26 5.00 2.89 0.00 -0.79 -4.91 105.19 109.64 2aff n GLY 32 Ca 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2aff n GLY 32 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2aff n ILE 33 N 0.04 0.00 0.00 -0.61 3.06 -1.26 -4.00 119.36 116.59 2aff n ILE 33 Ca 0.25 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.50 2aff n ILE 33 Cb 0.85 0.00 0.00 0.00 0.54 0.00 0.00 39.64 41.03 2aff n ILE 33 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 2aff n GLU 34 N 0.00 0.00 -2.87 9.51 2.13 -1.26 -4.54 120.64 123.61 2aff n GLU 34 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 2aff n GLU 34 Cb 0.00 -1.39 -0.05 0.00 0.27 0.00 0.00 31.44 30.27 2aff n GLU 34 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2aff h ASP 36 N 5.82 0.00 -3.28 0.00 3.32 -0.47 -3.37 116.42 118.45 2aff h ASP 36 Ca -0.43 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.00 2aff h ASP 36 Cb 1.21 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.40 2aff h ASP 36 CO 0.72 0.06 -0.83 -0.63 -1.72 0.00 0.00 179.24 176.85 2aff s ILE 37 N -4.60 1.72 -0.18 0.35 -1.09 0.65 -4.94 121.20 113.12 2aff s ILE 37 Ca -0.04 -0.90 -0.09 0.00 -2.23 0.00 0.00 60.65 57.38 2aff s ILE 37 Cb 0.15 -1.69 -0.05 0.00 -1.58 0.00 0.00 42.46 39.29 2aff s ILE 37 CO 0.60 0.32 0.13 -0.13 -1.23 0.00 0.00 174.94 174.63 2aff s ARG 38 N 1.39 3.95 -0.09 2.79 0.52 -1.26 -1.77 118.95 124.49 2aff s ARG 38 Ca 0.01 -0.21 0.04 0.00 -0.52 0.00 0.00 55.73 55.06 2aff s ARG 38 Cb -0.15 -3.33 -0.00 0.00 0.52 0.00 0.00 34.95 31.99 2aff s ARG 38 CO -0.10 0.44 -0.24 0.42 0.02 0.00 0.00 175.30 175.84 2aff s ILE 39 N -0.04 2.03 0.00 1.52 1.01 -0.97 -4.96 121.20 119.78 2aff s ILE 39 Ca 0.10 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.74 2aff s ILE 39 Cb -0.11 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.61 2aff s ILE 39 CO -0.00 0.55 1.33 0.00 0.00 0.00 0.00 174.94 176.83 2aff n GLN 40 N 3.42 0.96 -3.51 2.79 6.02 -1.26 -4.57 117.38 121.23 2aff n GLN 40 Ca -0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.38 2aff n GLN 40 Cb 0.53 -1.02 -0.10 0.00 1.02 0.00 0.00 30.24 30.67 2aff n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2aff s LEU 41 N 0.00 5.08 0.26 1.08 1.43 -1.26 -4.94 118.68 120.32 2aff s LEU 41 Ca 0.00 -1.06 0.15 0.00 -1.03 0.00 0.00 54.13 52.19 2aff s LEU 41 Cb 0.00 -2.10 0.82 0.00 0.03 0.00 0.00 46.19 44.94 2aff s LEU 41 CO 0.00 -0.47 1.42 -2.65 0.23 0.00 0.00 176.35 174.88 2aff n PRO 42 N 5.09 0.10 -0.32 1.29 -0.02 -1.26 -0.35 135.00 139.53 2aff n PRO 42 Ca -0.11 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 62.05 2aff n PRO 42 Cb 0.46 -1.91 0.28 0.00 -0.02 0.00 0.00 33.50 32.31 2aff n PRO 42 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2aff n VAL 43 N -2.04 0.84 -3.98 -1.45 0.24 -1.26 -4.91 118.33 105.78 2aff n VAL 43 Ca -0.01 -0.85 -0.36 0.00 -2.04 0.00 0.00 64.34 61.08 2aff n VAL 43 Cb 0.11 0.46 -0.08 0.00 -1.47 0.00 0.00 33.84 32.86 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 -1.16 5.10 0.88 3.34 1.01 0.53 -4.85 120.40 125.25 2aff s VAL 44 Ca 0.43 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.36 2aff s VAL 44 Cb 0.22 -3.25 0.12 0.00 0.00 0.00 0.00 36.38 33.48 2aff s VAL 44 CO 0.29 0.55 1.10 -0.44 0.00 0.00 0.00 175.10 176.60 2aff s SER 45 N -0.43 3.48 0.18 3.32 0.01 -1.26 -4.56 113.70 114.43 2aff s SER 45 Ca 0.11 1.80 -0.11 0.00 1.31 0.00 0.00 55.95 59.05 2aff s SER 45 Cb -0.12 -2.42 0.09 0.00 0.21 0.00 0.00 66.02 63.79 2aff s SER 45 CO 0.02 -2.68 1.75 0.11 0.41 0.00 0.00 173.24 172.84 2aff h LYS 46 N -1.58 0.92 -0.01 12.44 1.57 -1.91 -2.40 116.57 125.61 2aff h LYS 46 Ca -0.47 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 2aff h LYS 46 Cb 1.26 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2aff h LYS 46 CO 0.50 0.76 -0.10 1.04 -0.57 0.00 0.00 179.45 181.08 2aff n GLN 47 N -4.46 1.32 0.00 3.15 6.02 -1.26 -1.88 117.38 120.27 2aff n GLN 47 Ca 0.04 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 56.25 2aff n GLN 47 Cb 0.15 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.31 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 0.08 0.00 -4.33 1.08 -0.00 -1.03 -3.93 115.22 107.09 2aff n HIS 48 Ca 0.04 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.02 2aff n HIS 48 Cb 0.20 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.92 2aff n HIS 48 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2aff s LYS 50 N 0.33 1.77 -0.09 0.00 2.20 -0.27 0.13 119.74 123.81 2aff s LYS 50 Ca -0.05 -0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 2aff s LYS 50 Cb -0.10 -1.48 -0.01 0.00 -1.51 0.00 0.00 37.83 34.73 2aff s LYS 50 CO 0.01 0.12 -0.17 0.42 -0.36 0.00 0.00 175.35 175.37 2aff s ILE 51 N 0.38 2.75 -0.13 5.43 1.01 0.11 0.12 121.20 130.86 2aff s ILE 51 Ca -0.10 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.77 2aff s ILE 51 Cb -0.14 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 2aff s ILE 51 CO 0.03 0.55 -0.18 -1.61 0.00 0.00 0.00 174.94 173.73 2aff s GLU 52 N 0.01 3.18 -0.27 2.79 0.41 -0.23 -1.69 118.70 122.89 2aff s GLU 52 Ca -0.06 -0.79 -0.08 0.00 -0.41 0.00 0.00 54.97 53.64 2aff s GLU 52 Cb -0.15 -2.50 -0.02 0.00 -1.78 0.00 0.00 34.13 29.68 2aff s GLU 52 CO 0.05 0.11 0.10 0.42 -0.49 0.00 0.00 175.26 175.45 2aff s ILE 53 N 0.55 4.41 0.02 -1.63 1.01 0.09 -1.41 121.20 124.25 2aff s ILE 53 Ca -0.11 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.34 2aff s ILE 53 Cb -0.16 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 2aff s ILE 53 CO 0.04 0.24 -0.19 -1.00 0.00 0.00 0.00 174.94 174.03 2aff s HIS 54 N 1.61 2.55 0.56 3.97 3.76 0.49 -4.93 115.29 123.31 2aff s HIS 54 Ca 0.06 -0.27 0.49 0.00 -0.15 0.00 0.00 55.06 55.19 2aff s HIS 54 Cb -0.16 -1.48 1.69 0.00 1.11 0.00 0.00 32.58 33.74 2aff s HIS 54 CO 0.05 0.21 1.56 0.93 -0.85 0.00 0.00 174.74 176.64 2aff h GLU 55 N 4.73 0.00 0.14 1.40 5.08 -2.03 0.39 114.58 124.29 2aff h GLU 55 Ca -0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 2aff h GLU 55 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2aff h GLU 55 CO 0.48 0.00 -0.07 0.37 -1.00 0.00 0.00 179.01 178.79 2aff h GLN 56 N 0.00 -0.18 0.00 2.33 4.15 -2.01 -3.49 115.11 115.91 2aff h GLN 56 Ca 0.91 0.01 0.00 0.00 0.77 0.00 0.00 58.65 60.34 2aff h GLN 56 Cb 3.71 0.04 0.00 0.00 0.21 0.00 0.00 27.48 31.44 2aff h GLN 56 CO -0.01 -0.12 0.00 -1.91 -1.93 0.00 0.00 178.83 174.86 2aff n GLU 57 N -2.59 0.00 -4.47 1.69 4.07 0.14 -5.15 120.64 114.32 2aff n GLU 57 Ca -0.02 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.74 2aff n GLU 57 Cb 0.07 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.30 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2aff s ALA 58 N -1.00 2.52 -0.10 4.31 0.00 -1.26 -0.38 121.76 125.85 2aff s ALA 58 Ca 0.00 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.93 2aff s ALA 58 Cb 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 2aff s ALA 58 CO 0.00 -0.06 -0.18 0.42 0.00 0.00 0.00 175.76 175.93 2aff s ILE 59 N 0.87 2.62 -0.21 0.00 1.01 -0.50 0.10 121.20 125.09 2aff s ILE 59 Ca -0.04 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.67 2aff s ILE 59 Cb -0.15 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 2aff s ILE 59 CO -0.01 0.55 0.13 -0.22 0.00 0.00 0.00 174.94 175.39 2aff s LEU 60 N 0.09 4.13 -0.10 2.97 2.96 -0.13 -1.07 118.68 127.54 2aff s LEU 60 Ca -0.08 0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2aff s LEU 60 Cb -0.15 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 2aff s LEU 60 CO 0.05 0.16 -0.06 -1.00 -1.32 0.00 0.00 176.35 174.18 2aff s HIS 61 N 0.49 2.96 -0.50 5.38 3.76 0.32 -1.65 115.29 126.06 2aff s HIS 61 Ca 0.07 -0.14 -0.18 0.00 -0.15 0.00 0.00 55.06 54.66 2aff s HIS 61 Cb -0.12 -1.81 0.06 0.00 1.11 0.00 0.00 32.58 31.83 2aff s HIS 61 CO -0.01 0.16 0.56 1.21 -0.85 0.00 0.00 174.74 175.82 2aff s ASN 62 N -0.31 6.20 0.00 1.40 2.47 -1.26 -1.11 114.94 122.33 2aff s ASN 62 Ca 0.05 -1.05 0.23 0.00 0.42 0.00 0.00 52.86 52.50 2aff s ASN 62 Cb -0.13 -2.26 0.11 0.00 -1.45 0.00 0.00 41.25 37.52 2aff s ASN 62 CO 0.02 -0.83 1.15 0.49 -3.72 0.00 0.00 177.10 174.22 2aff n PHE 63 N 5.89 0.00 -2.27 0.43 3.01 0.40 -4.83 117.46 120.08 2aff n PHE 63 Ca -0.08 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.98 2aff n PHE 63 Cb 0.45 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.86 2aff n PHE 63 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2aff s SER 64 N -2.57 5.74 0.03 4.37 0.01 -0.22 -4.53 113.70 116.53 2aff s SER 64 Ca 0.18 0.12 0.26 0.00 1.31 0.00 0.00 55.95 57.81 2aff s SER 64 Cb 0.18 -2.54 0.63 0.00 0.21 0.00 0.00 66.02 64.50 2aff s SER 64 CO 0.61 -2.05 1.51 -1.54 0.41 0.00 0.00 173.24 172.18 2aff n SER 65 N 10.97 0.45 -0.11 2.44 3.41 -1.26 -3.68 113.62 125.83 2aff n SER 65 Ca 0.13 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.60 2aff n SER 65 Cb 0.50 0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 64.38 2aff n SER 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2aff n THR 66 N -1.65 1.37 -3.47 6.66 -1.04 -1.26 -4.87 114.28 110.02 2aff n THR 66 Ca 0.05 -0.65 -0.25 0.00 -2.04 0.00 0.00 64.05 61.17 2aff n THR 66 Cb 0.36 -1.02 -0.12 0.00 -1.82 0.00 0.00 70.33 67.72 2aff n THR 66 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2aff s ASN 67 N -5.98 2.71 0.51 8.00 0.01 -1.26 -5.14 114.94 113.80 2aff s ASN 67 Ca -0.24 -1.29 -0.22 0.00 -0.71 0.00 0.00 52.86 50.40 2aff s ASN 67 Cb 0.07 -0.03 -0.07 0.00 0.41 0.00 0.00 41.25 41.63 2aff s ASN 67 CO 0.65 -0.39 1.12 -2.65 -1.51 0.00 0.00 177.10 174.33 2aff n PRO 68 N 5.01 1.39 -2.19 -0.60 -0.02 -1.24 -4.67 135.00 132.67 2aff n PRO 68 Ca -0.01 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 2aff n PRO 68 Cb 0.43 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.35 3.21 -0.05 3.45 2.01 -1.26 -4.78 115.64 116.87 2aff s THR 69 Ca 0.69 0.96 -0.08 0.00 0.31 0.00 0.00 61.69 63.56 2aff s THR 69 Cb -0.47 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 2aff s THR 69 CO 0.52 0.12 0.24 -1.10 -0.69 0.00 0.00 174.62 173.71 2aff s GLN 70 N 0.21 3.59 -0.03 4.92 -0.21 -0.53 -1.66 119.66 125.94 2aff s GLN 70 Ca 0.59 -0.01 0.02 0.00 0.02 0.00 0.00 55.36 55.98 2aff s GLN 70 Cb -0.37 -3.15 0.01 0.00 1.00 0.00 0.00 33.01 30.50 2aff s GLN 70 CO 0.36 0.71 -0.07 0.54 -2.12 0.00 0.00 175.29 174.72 2aff s VAL 71 N -1.14 0.65 -1.15 1.09 0.11 0.40 0.22 120.40 120.57 2aff s VAL 71 Ca 0.21 -0.25 -0.05 0.00 -2.93 0.00 0.00 61.98 58.97 2aff s VAL 71 Cb -0.13 -0.61 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 2aff s VAL 71 CO 0.11 0.22 0.27 0.59 -3.33 0.00 0.00 175.10 172.96 2aff n ASN 72 N 3.58 -3.82 -0.68 3.54 3.02 -0.72 0.65 115.26 120.82 2aff n ASN 72 Ca -0.21 -0.10 -0.06 0.00 -0.03 0.00 0.00 54.58 54.18 2aff n ASN 72 Cb 0.53 -3.20 -0.00 0.00 -0.61 0.00 0.00 39.78 36.49 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 -1.01 0.17 2.92 7.41 0.00 -1.26 -5.04 105.19 108.38 2aff n GLY 73 Ca -0.08 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 2aff n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aff s SER 74 N -2.74 -0.07 0.27 1.61 0.01 0.21 -5.10 113.70 107.89 2aff s SER 74 Ca 0.00 0.19 -0.29 0.00 1.31 0.00 0.00 55.95 57.16 2aff s SER 74 Cb 0.00 0.14 -0.09 0.00 0.21 0.00 0.00 66.02 66.27 2aff s SER 74 CO 0.00 -0.08 1.15 0.68 0.41 0.00 0.00 173.24 175.40 2aff s VAL 75 N 0.56 3.37 -0.34 3.43 -7.23 -1.26 0.15 120.40 119.08 2aff s VAL 75 Ca -0.04 1.34 -0.08 0.00 -1.81 0.00 0.00 61.98 61.38 2aff s VAL 75 Cb -0.06 -3.85 0.02 0.00 0.56 0.00 0.00 36.38 33.05 2aff s VAL 75 CO -0.02 0.30 0.14 0.27 -0.31 0.00 0.00 175.10 175.48 2aff s ILE 76 N -0.99 4.17 0.33 -0.62 -4.36 -0.66 -4.90 121.20 114.17 2aff s ILE 76 Ca 0.46 -0.86 0.08 0.00 -0.26 0.00 0.00 60.65 60.07 2aff s ILE 76 Cb -0.33 -3.27 0.08 0.00 1.25 0.00 0.00 42.46 40.19 2aff s ILE 76 CO 0.42 -0.11 1.78 0.44 0.24 0.00 0.00 174.94 177.72 2aff h ASP 77 N 8.31 0.21 -4.78 4.36 3.32 -1.95 -3.42 116.42 122.46 2aff h ASP 77 Ca -0.27 -0.07 -0.51 0.00 0.02 0.00 0.00 57.03 56.20 2aff h ASP 77 Cb 1.11 -0.06 -0.12 0.00 0.22 0.00 0.00 39.33 40.48 2aff h ASP 77 CO 0.62 0.52 -0.45 -0.62 -1.72 0.00 0.00 179.24 177.60 2aff n GLU 78 N -4.11 0.54 -1.79 3.56 4.71 -1.26 -4.95 120.64 117.33 2aff n GLU 78 Ca -0.01 -3.28 -0.38 0.00 -0.01 0.00 0.00 57.16 53.47 2aff n GLU 78 Cb 0.40 2.02 0.04 0.00 -1.01 0.00 0.00 31.44 32.90 2aff n GLU 78 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 2aff s PRO 79 N -3.44 3.10 -0.00 3.49 0.02 -1.26 -4.69 135.00 132.21 2aff s PRO 79 Ca 0.25 2.21 0.01 0.00 0.02 0.00 0.00 61.00 63.49 2aff s PRO 79 Cb 0.01 -2.22 -0.00 0.00 0.02 0.00 0.00 34.50 32.31 2aff s PRO 79 CO 0.17 -1.22 -0.04 0.14 -0.33 0.00 0.00 177.00 175.73 2aff s VAL 80 N -1.32 0.27 0.07 3.83 -7.23 -0.66 -4.98 120.40 110.39 2aff s VAL 80 Ca 0.72 -0.19 -0.31 0.00 -1.81 0.00 0.00 61.98 60.40 2aff s VAL 80 Cb -0.40 -0.24 -0.06 0.00 0.56 0.00 0.00 36.38 36.24 2aff s VAL 80 CO 0.47 0.05 1.24 -0.60 -0.31 0.00 0.00 175.10 175.94 2aff s ARG 81 N -0.16 4.41 0.22 4.82 3.52 -1.26 -0.95 118.95 129.55 2aff s ARG 81 Ca 0.01 1.83 -0.27 0.00 -0.13 0.00 0.00 55.73 57.17 2aff s ARG 81 Cb -0.02 -3.33 -0.09 0.00 -1.56 0.00 0.00 34.95 29.96 2aff s ARG 81 CO -0.00 -0.29 0.86 -0.51 -0.81 0.00 0.00 175.30 174.55 2aff s LEU 82 N 1.08 4.57 0.06 -0.88 1.43 0.29 -4.91 118.68 120.32 2aff s LEU 82 Ca 0.60 1.79 0.03 0.00 -1.03 0.00 0.00 54.13 55.51 2aff s LEU 82 Cb -0.31 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 2aff s LEU 82 CO 0.29 0.14 -0.09 -0.75 0.23 0.00 0.00 176.35 176.18 2aff s LYS 83 N -1.32 0.67 -0.02 1.70 2.20 -1.26 -4.46 119.74 117.24 2aff s LYS 83 Ca 0.40 -0.93 -0.33 0.00 -0.36 0.00 0.00 55.97 54.75 2aff s LYS 83 Cb -0.23 -0.40 -0.11 0.00 -1.51 0.00 0.00 37.83 35.57 2aff s LYS 83 CO 0.28 0.07 1.89 1.58 -0.36 0.00 0.00 175.35 178.81 2aff n HIS 84 N 1.08 2.40 0.00 4.03 -0.00 -1.26 -0.73 115.22 120.74 2aff n HIS 84 Ca -0.20 -0.11 0.00 0.00 -0.00 0.00 0.00 57.72 57.41 2aff n HIS 84 Cb 0.56 -2.70 0.00 0.00 -0.00 0.00 0.00 29.99 27.84 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 4.38 2.76 3.75 1.57 0.00 -0.93 -4.97 105.19 111.73 2aff n GLY 85 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2aff n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aff s ASP 86 N -1.41 6.78 -0.11 1.61 1.01 0.09 -4.80 116.67 119.84 2aff s ASP 86 Ca 0.00 2.55 0.01 0.00 0.71 0.00 0.00 52.55 55.82 2aff s ASP 86 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2aff s ASP 86 CO 0.00 -0.60 -0.13 -0.69 0.21 0.00 0.00 175.17 173.97 2aff s VAL 87 N -0.14 3.12 -0.17 -1.27 1.01 -1.26 -2.36 120.40 119.32 2aff s VAL 87 Ca 0.56 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 2aff s VAL 87 Cb -0.39 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2aff s VAL 87 CO 0.42 0.54 0.28 -0.63 0.00 0.00 0.00 175.10 175.72 2aff s ILE 88 N 0.05 5.31 -0.13 2.22 1.01 -0.52 -1.76 121.20 127.38 2aff s ILE 88 Ca -0.04 0.51 0.02 0.00 0.00 0.00 0.00 60.65 61.14 2aff s ILE 88 Cb -0.14 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.72 2aff s ILE 88 CO 0.04 0.38 -0.20 -0.89 0.00 0.00 0.00 174.94 174.27 2aff s THR 89 N 0.58 1.88 -0.14 2.92 2.01 0.58 0.25 115.64 123.72 2aff s THR 89 Ca 0.15 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 2aff s THR 89 Cb -0.13 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 2aff s THR 89 CO 0.04 0.51 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.75 2aff s ILE 90 N 0.89 3.22 -0.04 1.82 1.01 0.74 -1.46 121.20 127.38 2aff s ILE 90 Ca -0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 2aff s ILE 90 Cb -0.15 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 2aff s ILE 90 CO -0.02 0.51 0.11 -0.38 0.00 0.00 0.00 174.94 175.16 2aff n ILE 91 N 3.67 0.00 0.00 2.92 5.41 -1.26 0.34 119.36 130.43 2aff n ILE 91 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 2aff n ILE 91 Cb 0.52 -0.02 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 2aff n ILE 91 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2aff n ASP 92 N 0.44 0.00 -4.15 4.38 8.00 -1.26 -5.00 116.55 118.96 2aff n ASP 92 Ca 0.03 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.32 2aff n ASP 92 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2aff s ARG 93 N -0.23 1.03 0.03 -1.24 1.81 1.02 -4.61 118.95 116.76 2aff s ARG 93 Ca 0.00 -0.73 -0.01 0.00 -1.72 0.00 0.00 55.73 53.27 2aff s ARG 93 Cb 0.00 -1.04 -0.02 0.00 -0.45 0.00 0.00 34.95 33.44 2aff s ARG 93 CO 0.00 0.26 -0.02 0.45 -0.68 0.00 0.00 175.30 175.31 2aff s SER 94 N -1.00 0.30 -0.14 0.23 0.15 -1.26 0.26 113.70 112.24 2aff s SER 94 Ca 0.03 -0.63 0.01 0.00 0.70 0.00 0.00 55.95 56.06 2aff s SER 94 Cb -0.08 0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.39 2aff s SER 94 CO 0.01 -0.39 -0.17 -0.36 1.20 0.00 0.00 173.24 173.53 2aff s PHE 95 N -2.16 2.31 -0.07 3.44 0.40 0.14 -2.33 117.98 119.71 2aff s PHE 95 Ca -0.09 -1.24 -0.21 0.00 -0.60 0.00 0.00 56.93 54.78 2aff s PHE 95 Cb -0.05 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 2aff s PHE 95 CO -0.03 -0.64 0.62 0.50 0.70 0.00 0.00 175.22 176.36 2aff s ARG 96 N 1.23 4.39 -0.17 0.44 3.52 -1.01 -1.43 118.95 125.91 2aff s ARG 96 Ca 0.00 0.73 -0.16 0.00 -0.13 0.00 0.00 55.73 56.17 2aff s ARG 96 Cb -0.14 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 2aff s ARG 96 CO -0.08 0.15 0.41 -0.47 -0.81 0.00 0.00 175.30 174.50 2aff s TYR 97 N 0.55 3.43 -0.14 5.12 5.04 -1.00 -2.34 117.35 128.02 2aff s TYR 97 Ca 0.33 0.70 0.01 0.00 -2.44 0.00 0.00 57.07 55.67 2aff s TYR 97 Cb -0.17 -2.50 0.02 0.00 0.35 0.00 0.00 41.96 39.66 2aff s TYR 97 CO 0.16 0.09 -0.16 -1.21 -1.34 0.00 0.00 175.55 173.09 2aff s GLU 98 N 0.94 2.40 -0.33 4.97 2.02 -0.49 -2.20 118.70 126.01 2aff s GLU 98 Ca 0.21 -0.61 -0.15 0.00 0.02 0.00 0.00 54.97 54.44 2aff s GLU 98 Cb -0.14 -2.10 -0.02 0.00 0.10 0.00 0.00 34.13 31.97 2aff s GLU 98 CO 0.08 -0.15 0.35 1.21 0.02 0.00 0.00 175.26 176.76 2aff s ASN 99 N 1.24 6.17 0.00 -0.19 3.84 -1.26 -1.71 114.94 123.03 2aff s ASN 99 Ca -0.00 -0.17 0.06 0.00 0.21 0.00 0.00 52.86 52.96 2aff s ASN 99 Cb -0.14 -2.19 0.36 0.00 -0.55 0.00 0.00 41.25 38.73 2aff s ASN 99 CO -0.07 -0.30 0.83 1.21 -2.79 0.00 0.00 177.10 175.98