#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e6p s SER 2 N 0.00 6.30 -0.08 1.61 1.04 -1.26 -5.00 113.70 116.30 2e6p s SER 2 Ca 0.00 -0.54 -0.26 0.00 0.48 0.00 0.00 55.95 55.63 2e6p s SER 2 Cb 0.00 -2.35 0.06 0.00 0.10 0.00 0.00 66.02 63.83 2e6p s SER 2 CO 0.00 -0.97 0.60 -0.55 0.98 0.00 0.00 173.24 173.30 2e6p s SER 3 N 2.53 -0.57 -0.27 7.02 0.15 -1.26 -5.15 113.70 116.16 2e6p s SER 3 Ca 0.23 0.72 -0.10 0.00 0.70 0.00 0.00 55.95 57.50 2e6p s SER 3 Cb -0.15 0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 64.77 2e6p s SER 3 CO 0.17 -0.49 0.15 -0.83 1.20 0.00 0.00 173.24 173.43 2e6p s GLY 4 N -0.88 1.89 0.06 9.45 0.00 -1.26 -5.06 107.32 111.51 2e6p s GLY 4 Ca -0.09 -1.08 -0.31 0.00 0.00 0.00 0.00 44.72 43.25 2e6p s GLY 4 CO 0.07 0.58 1.29 -0.56 0.00 0.00 0.00 173.10 174.48 2e6p s SER 5 N 1.63 6.97 0.09 1.64 0.01 -1.26 -4.93 113.70 117.84 2e6p s SER 5 Ca 0.07 2.10 -0.17 0.00 1.31 0.00 0.00 55.95 59.26 2e6p s SER 5 Cb -0.15 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 2e6p s SER 5 CO 0.08 -0.57 1.09 -0.24 0.41 0.00 0.00 173.24 174.01 2e6p n SER 6 N 4.28 -0.59 -4.81 2.44 2.88 -1.26 -4.35 113.62 112.22 2e6p n SER 6 Ca 0.11 1.23 -0.34 0.00 -1.33 0.00 0.00 58.87 58.53 2e6p n SER 6 Cb 0.45 -0.25 -0.07 0.00 -0.75 0.00 0.00 64.21 63.59 2e6p n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e6p s GLY 7 N -2.11 2.52 -0.02 0.46 0.00 -1.26 -5.00 107.32 101.90 2e6p s GLY 7 Ca -0.07 0.37 -0.25 0.00 0.00 0.00 0.00 44.72 44.77 2e6p s GLY 7 CO 0.34 0.69 1.23 -0.56 0.00 0.00 0.00 173.10 174.81 2e6p h PRO 8 N 2.44 -0.05 -2.04 2.90 0.13 -2.02 -3.48 132.00 129.88 2e6p h PRO 8 Ca -0.48 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 2e6p h PRO 8 Cb 1.18 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 2e6p h PRO 8 CO 0.63 0.42 0.39 0.54 -0.23 0.00 0.00 178.00 179.75 2e6p s VAL 9 N -4.22 0.00 -0.21 1.56 0.11 -1.26 -4.90 120.40 111.49 2e6p s VAL 9 Ca -0.16 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.74 2e6p s VAL 9 Cb 0.02 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.93 2e6p s VAL 9 CO 0.65 0.00 0.53 -1.38 -3.33 0.00 0.00 175.10 171.57 2e6p s HIS 10 N -1.94 -0.69 0.53 1.54 -3.43 -1.26 -4.86 115.29 105.19 2e6p s HIS 10 Ca -0.03 1.53 -0.22 0.00 -0.80 0.00 0.00 55.06 55.55 2e6p s HIS 10 Cb -0.01 0.31 -0.05 0.00 -1.43 0.00 0.00 32.58 31.40 2e6p s HIS 10 CO -0.00 -0.35 1.37 0.42 -2.00 0.00 0.00 174.74 174.18 2e6p s ILE 11 N 0.89 2.06 -0.11 -5.38 1.01 -1.26 -3.45 121.20 114.95 2e6p s ILE 11 Ca -0.05 0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.68 2e6p s ILE 11 Cb -0.05 -3.02 -0.10 0.00 0.01 0.00 0.00 42.46 39.30 2e6p s ILE 11 CO -0.07 0.00 -0.06 0.18 0.00 0.00 0.00 174.94 174.99 2e6p n LEU 12 N -0.90 1.84 -3.71 2.97 4.77 -1.15 -4.96 117.00 115.85 2e6p n LEU 12 Ca 0.10 -0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 2e6p n LEU 12 Cb 0.44 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 2e6p n LEU 12 CO 0.54 0.53 0.11 -0.55 -1.33 0.00 0.00 177.39 176.69 2e6p s SER 13 N -4.82 -0.49 1.16 -1.43 0.15 -1.26 -4.35 113.70 102.66 2e6p s SER 13 Ca -0.12 0.91 -0.13 0.00 0.70 0.00 0.00 55.95 57.31 2e6p s SER 13 Cb 0.04 0.88 0.19 0.00 -1.71 0.00 0.00 66.02 65.42 2e6p s SER 13 CO 0.33 -0.17 0.69 -0.81 1.20 0.00 0.00 173.24 174.48 2e6p n PRO 14 N 3.24 -2.37 -0.12 5.44 -0.04 -1.26 0.24 135.00 140.13 2e6p n PRO 14 Ca -0.16 -1.10 -0.16 0.00 -0.04 0.00 0.00 63.50 62.04 2e6p n PRO 14 Cb 0.57 -1.03 -0.13 0.00 -0.04 0.00 0.00 33.50 32.87 2e6p n PRO 14 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2e6p n GLN 15 N -3.61 0.66 -4.22 0.54 6.02 -1.26 -4.97 117.38 110.54 2e6p n GLN 15 Ca 0.10 0.11 -0.13 0.00 -0.01 0.00 0.00 57.00 57.07 2e6p n GLN 15 Cb 0.37 -1.52 -0.10 0.00 1.02 0.00 0.00 30.24 30.01 2e6p n GLN 15 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 2e6p s ASP 16 N -6.27 0.30 0.13 1.08 -4.77 -1.26 -5.11 116.67 100.76 2e6p s ASP 16 Ca -0.29 -1.39 -0.34 0.00 -3.30 0.00 0.00 52.55 47.23 2e6p s ASP 16 Cb 0.08 0.35 -0.17 0.00 -1.09 0.00 0.00 42.92 42.09 2e6p s ASP 16 CO 0.66 -0.83 1.03 1.17 0.70 0.00 0.00 175.17 177.90 2e6p n LYS 17 N -0.30 0.64 -4.11 2.11 3.00 -1.26 -4.93 118.16 113.30 2e6p n LYS 17 Ca 0.02 0.23 -0.25 0.00 -0.00 0.00 0.00 58.31 58.31 2e6p n LYS 17 Cb 0.66 -1.64 -0.07 0.00 0.00 0.00 0.00 35.03 33.98 2e6p n LYS 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2e6p s VAL 18 N -0.25 2.23 -0.05 3.15 -7.23 -1.22 -5.04 120.40 111.99 2e6p s VAL 18 Ca 0.77 -1.68 -0.02 0.00 -1.81 0.00 0.00 61.98 59.24 2e6p s VAL 18 Cb -0.98 -2.91 0.03 0.00 0.56 0.00 0.00 36.38 33.08 2e6p s VAL 18 CO 0.54 0.00 0.11 -0.94 -0.31 0.00 0.00 175.10 174.50 2e6p s SER 19 N -3.94 -0.06 0.14 4.85 1.04 -1.26 -2.41 113.70 112.06 2e6p s SER 19 Ca 0.39 0.22 -0.02 0.00 0.48 0.00 0.00 55.95 57.02 2e6p s SER 19 Cb 0.03 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 2e6p s SER 19 CO 0.22 -0.12 0.09 -0.76 0.98 0.00 0.00 173.24 173.65 2e6p s LEU 20 N 0.95 1.60 -0.01 2.42 1.43 -0.05 -4.93 118.68 120.08 2e6p s LEU 20 Ca -0.07 -1.19 -0.03 0.00 -1.03 0.00 0.00 54.13 51.80 2e6p s LEU 20 Cb -0.10 0.41 0.00 0.00 0.03 0.00 0.00 46.19 46.54 2e6p s LEU 20 CO -0.04 -0.76 0.08 -0.89 0.23 0.00 0.00 176.35 174.96 2e6p s THR 21 N -4.05 0.04 0.23 5.49 2.01 -1.26 -2.98 115.64 115.12 2e6p s THR 21 Ca 0.25 -0.36 -0.06 0.00 0.31 0.00 0.00 61.69 61.83 2e6p s THR 21 Cb 0.07 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.32 2e6p s THR 21 CO 0.03 -0.20 0.30 -0.36 -0.69 0.00 0.00 174.62 173.70 2e6p s PHE 22 N -0.62 0.81 0.15 4.92 0.08 0.62 -4.90 117.98 119.05 2e6p s PHE 22 Ca -0.07 -1.09 0.08 0.00 0.12 0.00 0.00 56.93 55.97 2e6p s PHE 22 Cb -0.04 -0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.16 2e6p s PHE 22 CO 0.00 -0.82 -0.08 0.99 -0.10 0.00 0.00 175.22 175.21 2e6p s THR 23 N -4.03 3.33 0.42 0.64 2.01 -1.26 -0.50 115.64 116.24 2e6p s THR 23 Ca 0.31 -1.48 -0.24 0.00 0.31 0.00 0.00 61.69 60.59 2e6p s THR 23 Cb 0.03 -2.62 -0.11 0.00 0.01 0.00 0.00 72.50 69.82 2e6p s THR 23 CO 0.11 -0.03 0.96 0.41 -0.69 0.00 0.00 174.62 175.39 2e6p n THR 24 N 0.26 2.39 -3.27 -0.82 -1.04 -1.13 -2.75 114.28 107.92 2e6p n THR 24 Ca -0.12 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.05 61.24 2e6p n THR 24 Cb 0.54 -1.08 0.08 0.00 -1.82 0.00 0.00 70.33 68.05 2e6p n THR 24 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2e6p n SER 25 N 0.59 -2.41 -4.08 8.00 7.64 -0.94 -4.87 113.62 117.54 2e6p n SER 25 Ca 0.10 -0.53 -0.26 0.00 1.01 0.00 0.00 58.87 59.19 2e6p n SER 25 Cb 0.39 -4.54 -0.08 0.00 -1.01 0.00 0.00 64.21 58.97 2e6p n SER 25 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2e6p s GLU 26 N -5.28 1.94 -0.33 1.43 0.41 -1.11 -4.79 118.70 110.97 2e6p s GLU 26 Ca 0.05 -2.18 -0.10 0.00 -0.41 0.00 0.00 54.97 52.33 2e6p s GLU 26 Cb -0.02 -0.58 0.00 0.00 -1.78 0.00 0.00 34.13 31.75 2e6p s GLU 26 CO 0.64 -0.50 0.16 0.50 -0.49 0.00 0.00 175.26 175.58 2e6p s ARG 27 N -3.69 3.20 -0.32 1.61 3.52 -1.26 -1.03 118.95 120.98 2e6p s ARG 27 Ca 0.24 -0.82 -0.07 0.00 -0.13 0.00 0.00 55.73 54.95 2e6p s ARG 27 Cb 0.02 -3.60 0.02 0.00 -1.56 0.00 0.00 34.95 29.83 2e6p s ARG 27 CO 0.15 -0.49 0.11 0.08 -0.81 0.00 0.00 175.30 174.34 2e6p s VAL 28 N 1.60 4.00 -0.23 7.11 1.01 -0.96 -4.93 120.40 127.98 2e6p s VAL 28 Ca 0.04 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2e6p s VAL 28 Cb -0.18 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.12 2e6p s VAL 28 CO 0.06 -0.04 -0.05 0.54 0.00 0.00 0.00 175.10 175.61 2e6p s VAL 29 N 1.48 1.48 0.45 2.92 0.11 -1.26 -0.80 120.40 124.77 2e6p s VAL 29 Ca 0.01 -1.20 -0.08 0.00 -2.93 0.00 0.00 61.98 57.79 2e6p s VAL 29 Cb -0.18 -1.76 0.10 0.00 -1.53 0.00 0.00 36.38 33.01 2e6p s VAL 29 CO 0.03 -0.12 0.59 0.18 -3.33 0.00 0.00 175.10 172.45 2e6p n LEU 30 N 4.69 0.00 -3.68 2.54 4.77 -0.68 -4.92 117.00 119.72 2e6p n LEU 30 Ca -0.12 -0.64 -0.12 0.00 -0.03 0.00 0.00 56.01 55.10 2e6p n LEU 30 Cb 0.44 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 40.99 2e6p n LEU 30 CO 0.18 -0.97 0.22 -0.89 -1.33 0.00 0.00 177.39 174.60 2e6p s THR 31 N -2.27 -0.00 -0.04 -5.08 2.01 -1.26 -4.16 115.64 104.83 2e6p s THR 31 Ca 0.34 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 62.17 2e6p s THR 31 Cb -0.01 -0.77 0.03 0.00 0.01 0.00 0.00 72.50 71.76 2e6p s THR 31 CO 0.24 0.01 0.39 0.00 -0.69 0.00 0.00 174.62 174.57 2e6p s GLU 33 N -1.06 1.30 0.28 0.00 2.12 0.14 0.50 118.70 121.98 2e6p s GLU 33 Ca -0.11 -1.44 0.05 0.00 0.36 0.00 0.00 54.97 53.83 2e6p s GLU 33 Cb -0.04 -1.34 -0.02 0.00 0.26 0.00 0.00 34.13 32.99 2e6p s GLU 33 CO 0.05 0.27 0.18 1.28 -0.54 0.00 0.00 175.26 176.49 2e6p n LEU 34 N 0.20 0.00 -0.34 2.70 4.77 0.34 -2.93 117.00 121.74 2e6p n LEU 34 Ca -0.12 -2.44 0.03 0.00 -0.03 0.00 0.00 56.01 53.45 2e6p n LEU 34 Cb 0.57 1.09 0.08 0.00 -2.33 0.00 0.00 43.42 42.83 2e6p n LEU 34 CO 0.30 -0.39 0.54 -0.24 -1.33 0.00 0.00 177.39 176.26 2e6p n SER 35 N -1.85 2.35 -3.98 -1.43 2.88 -1.22 -4.69 113.62 105.68 2e6p n SER 35 Ca 0.02 -1.88 -0.16 0.00 -1.33 0.00 0.00 58.87 55.52 2e6p n SER 35 Cb 0.47 -0.11 -0.14 0.00 -0.75 0.00 0.00 64.21 63.68 2e6p n SER 35 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2e6p s ARG 36 N -0.92 0.51 0.19 -1.46 1.81 -1.26 -4.92 118.95 112.89 2e6p s ARG 36 Ca 0.12 -0.27 -0.02 0.00 -1.72 0.00 0.00 55.73 53.84 2e6p s ARG 36 Cb 0.07 -0.47 -0.05 0.00 -0.45 0.00 0.00 34.95 34.05 2e6p s ARG 36 CO 0.09 0.13 0.40 0.08 -0.68 0.00 0.00 175.30 175.31 2e6p s VAL 37 N -0.25 5.18 -1.16 3.52 1.01 -1.26 -3.73 120.40 123.70 2e6p s VAL 37 Ca 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 2e6p s VAL 37 Cb -0.03 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2e6p s VAL 37 CO -0.00 -0.12 0.17 0.47 0.00 0.00 0.00 175.10 175.62 2e6p n ASP 38 N -0.45 -4.08 -4.82 3.32 8.00 -1.22 -4.93 116.55 112.37 2e6p n ASP 38 Ca -0.04 0.01 -0.38 0.00 0.71 0.00 0.00 54.79 55.09 2e6p n ASP 38 Cb 0.53 -3.42 -0.06 0.00 -0.02 0.00 0.00 41.12 38.15 2e6p n ASP 38 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2e6p s PHE 39 N -2.75 3.77 0.50 1.24 2.19 -1.26 -5.06 117.98 116.60 2e6p s PHE 39 Ca 0.12 1.13 -0.21 0.00 0.33 0.00 0.00 56.93 58.30 2e6p s PHE 39 Cb -0.06 -2.39 -0.07 0.00 -1.31 0.00 0.00 43.02 39.20 2e6p s PHE 39 CO 0.15 0.62 1.15 -1.25 1.83 0.00 0.00 175.22 177.71 2e6p s PRO 40 N -1.11 3.57 0.23 10.12 0.04 -1.26 -5.05 135.00 141.54 2e6p s PRO 40 Ca 0.26 1.69 -0.23 0.00 0.04 0.00 0.00 61.00 62.77 2e6p s PRO 40 Cb -0.18 -2.21 0.04 0.00 0.04 0.00 0.00 34.50 32.19 2e6p s PRO 40 CO 0.16 -0.69 0.82 0.00 0.04 0.00 0.00 177.00 177.33 2e6p s ALA 41 N -1.66 -1.40 -0.20 8.56 0.00 -1.26 -4.51 121.76 121.29 2e6p s ALA 41 Ca 0.68 -0.13 -0.16 0.00 0.00 0.00 0.00 51.96 52.34 2e6p s ALA 41 Cb -0.26 0.76 0.06 0.00 0.00 0.00 0.00 23.12 23.68 2e6p s ALA 41 CO 0.31 -1.04 0.52 0.99 0.00 0.00 0.00 175.76 176.53 2e6p s THR 42 N -3.65 -0.01 0.06 0.00 2.01 -0.53 -4.99 115.64 108.53 2e6p s THR 42 Ca 0.12 0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.93 2e6p s THR 42 Cb -0.04 -0.73 -0.06 0.00 0.01 0.00 0.00 72.50 71.67 2e6p s THR 42 CO 0.05 0.01 0.61 0.26 -0.69 0.00 0.00 174.62 174.86 2e6p s TRP 43 N 0.65 3.78 -0.04 4.92 0.52 -1.26 -1.94 118.94 125.57 2e6p s TRP 43 Ca -0.03 1.31 0.02 0.00 0.02 0.00 0.00 56.10 57.42 2e6p s TRP 43 Cb -0.05 -2.58 0.01 0.00 -1.15 0.00 0.00 33.47 29.70 2e6p s TRP 43 CO -0.04 0.49 -0.07 0.71 0.02 0.00 0.00 176.95 178.06 2e6p s TYR 44 N -0.79 0.89 -0.13 -1.98 2.02 0.56 -2.45 117.35 115.47 2e6p s TYR 44 Ca 0.31 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.78 2e6p s TYR 44 Cb -0.20 -0.69 -0.00 0.00 -0.40 0.00 0.00 41.96 40.67 2e6p s TYR 44 CO 0.20 -0.15 -0.18 0.21 -1.57 0.00 0.00 175.55 174.05 2e6p s LYS 45 N 0.54 3.19 -1.54 -0.62 2.20 -0.15 0.06 119.74 123.42 2e6p s LYS 45 Ca -0.08 -0.78 -0.11 0.00 -0.36 0.00 0.00 55.97 54.63 2e6p s LYS 45 Cb -0.12 -2.50 0.09 0.00 -1.51 0.00 0.00 37.83 33.79 2e6p s LYS 45 CO 0.01 0.13 0.79 -0.25 -0.36 0.00 0.00 175.35 175.66 2e6p n ASP 46 N 3.72 -3.12 -3.01 1.43 9.92 -1.03 -0.68 116.55 123.78 2e6p n ASP 46 Ca -0.19 -0.90 -0.21 0.00 -0.53 0.00 0.00 54.79 52.96 2e6p n ASP 46 Cb 0.52 -3.38 0.06 0.00 -0.64 0.00 0.00 41.12 37.68 2e6p n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2e6p n GLY 47 N -1.64 -0.37 3.04 0.44 0.00 -1.26 -5.00 105.19 100.40 2e6p n GLY 47 Ca -0.05 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2e6p n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2e6p s GLN 48 N -5.93 0.18 0.43 1.61 -0.21 0.15 -5.14 119.66 110.74 2e6p s GLN 48 Ca 0.42 0.66 -0.23 0.00 0.02 0.00 0.00 55.36 56.23 2e6p s GLN 48 Cb -0.19 -0.07 -0.11 0.00 1.00 0.00 0.00 33.01 33.64 2e6p s GLN 48 CO 0.52 -0.23 0.82 1.17 -2.12 0.00 0.00 175.29 175.46 2e6p n LYS 49 N 4.84 1.00 -3.31 2.91 4.81 -1.26 -0.98 118.16 126.18 2e6p n LYS 49 Ca -0.15 0.36 -0.31 0.00 -0.87 0.00 0.00 58.31 57.34 2e6p n LYS 49 Cb 0.51 -1.83 -0.05 0.00 0.02 0.00 0.00 35.03 33.69 2e6p n LYS 49 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2e6p s VAL 50 N -1.35 4.92 -0.29 3.15 -7.23 -1.02 -4.78 120.40 113.80 2e6p s VAL 50 Ca 0.64 0.42 -0.12 0.00 -1.81 0.00 0.00 61.98 61.10 2e6p s VAL 50 Cb -0.57 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 32.66 2e6p s VAL 50 CO 0.57 -0.20 0.24 -0.70 -0.31 0.00 0.00 175.10 174.70 2e6p s GLU 51 N -3.14 3.91 -0.30 4.82 2.12 -1.26 -4.99 118.70 119.85 2e6p s GLU 51 Ca 0.47 -0.27 -0.29 0.00 0.36 0.00 0.00 54.97 55.24 2e6p s GLU 51 Cb -0.11 -3.68 0.01 0.00 0.26 0.00 0.00 34.13 30.61 2e6p s GLU 51 CO 0.24 -0.24 1.22 -1.21 -0.54 0.00 0.00 175.26 174.73 2e6p s GLU 52 N 1.84 3.98 0.37 4.30 2.02 -1.26 -4.61 118.70 125.33 2e6p s GLU 52 Ca 0.09 1.19 -0.13 0.00 0.02 0.00 0.00 54.97 56.14 2e6p s GLU 52 Cb -0.16 -3.83 0.05 0.00 0.10 0.00 0.00 34.13 30.29 2e6p s GLU 52 CO 0.11 -1.03 0.73 -1.13 0.02 0.00 0.00 175.26 173.95 2e6p n SER 53 N 7.33 -2.12 -0.18 -0.19 3.41 -1.05 -4.97 113.62 115.85 2e6p n SER 53 Ca 0.14 -2.54 0.16 0.00 -0.26 0.00 0.00 58.87 56.37 2e6p n SER 53 Cb 0.47 3.55 0.51 0.00 -0.26 0.00 0.00 64.21 68.48 2e6p n SER 53 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2e6p h GLU 54 N 0.00 0.40 0.00 4.33 4.11 -2.03 0.56 114.58 121.96 2e6p h GLU 54 Ca -0.31 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.09 2e6p h GLU 54 Cb 1.17 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2e6p h GLU 54 CO 0.40 0.27 0.00 1.28 0.07 0.00 0.00 179.01 181.03 2e6p n LEU 55 N -4.48 0.31 -3.75 3.06 4.77 -1.26 -4.55 117.00 111.09 2e6p n LEU 55 Ca 0.15 0.53 -0.29 0.00 -0.03 0.00 0.00 56.01 56.37 2e6p n LEU 55 Cb 0.56 -0.44 -0.16 0.00 -2.33 0.00 0.00 43.42 41.06 2e6p n LEU 55 CO 0.32 -0.09 -0.36 -0.22 -1.33 0.00 0.00 177.39 175.72 2e6p s LEU 56 N -3.58 1.75 -0.22 2.23 0.20 0.20 -4.24 118.68 115.01 2e6p s LEU 56 Ca 0.12 -1.21 -0.09 0.00 0.69 0.00 0.00 54.13 53.64 2e6p s LEU 56 Cb 0.16 -0.76 -0.04 0.00 -0.43 0.00 0.00 46.19 45.11 2e6p s LEU 56 CO 0.54 -0.35 0.12 -0.69 -0.29 0.00 0.00 176.35 175.68 2e6p s VAL 57 N 1.72 5.03 -0.29 1.68 1.01 -0.84 -2.53 120.40 126.19 2e6p s VAL 57 Ca 0.03 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 2e6p s VAL 57 Cb -0.17 -3.33 0.03 0.00 0.00 0.00 0.00 36.38 32.91 2e6p s VAL 57 CO -0.16 0.38 0.02 -0.69 0.00 0.00 0.00 175.10 174.65 2e6p s VAL 58 N 0.94 3.32 -0.16 2.92 1.01 -1.26 -0.42 120.40 126.76 2e6p s VAL 58 Ca 0.06 -1.07 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 2e6p s VAL 58 Cb -0.13 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 2e6p s VAL 58 CO 0.03 0.01 0.09 -0.54 0.00 0.00 0.00 175.10 174.69 2e6p s LYS 59 N 1.36 3.76 -0.31 2.72 -0.14 -0.74 -5.03 119.74 121.36 2e6p s LYS 59 Ca -0.01 -0.27 0.02 0.00 -1.36 0.00 0.00 55.97 54.35 2e6p s LYS 59 Cb -0.18 -3.20 0.09 0.00 -1.68 0.00 0.00 37.83 32.86 2e6p s LYS 59 CO -0.01 0.46 0.03 1.41 -0.76 0.00 0.00 175.35 176.49 2e6p s MET 60 N -0.15 1.39 -1.10 1.68 -2.45 -1.26 -2.30 119.30 115.10 2e6p s MET 60 Ca 0.08 -1.54 -0.07 0.00 -1.25 0.00 0.00 55.69 52.92 2e6p s MET 60 Cb -0.12 -2.82 0.29 0.00 1.25 0.00 0.00 34.83 33.43 2e6p s MET 60 CO 0.01 -0.88 1.27 -3.47 1.05 0.00 0.00 175.02 173.01 2e6p n ASP 61 N 4.46 5.91 0.00 1.11 2.03 0.20 -4.96 116.55 125.30 2e6p n ASP 61 Ca -0.01 -3.21 0.00 0.00 0.52 0.00 0.00 54.79 52.10 2e6p n ASP 61 Cb 0.42 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 2e6p n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2e6p n GLY 62 N 2.07 0.27 0.05 0.27 0.00 -1.26 -0.02 105.19 106.57 2e6p n GLY 62 Ca 0.25 0.66 0.11 0.00 0.00 0.00 0.00 46.02 47.04 2e6p n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e6p n ARG 63 N 0.00 0.58 -3.31 1.61 1.74 -1.24 -3.43 116.66 112.60 2e6p n ARG 63 Ca 0.00 -0.05 -0.39 0.00 -0.77 0.00 0.00 57.85 56.64 2e6p n ARG 63 Cb 0.00 -1.64 -0.07 0.00 -1.02 0.00 0.00 32.46 29.72 2e6p n ARG 63 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2e6p s LYS 64 N -3.41 4.14 -0.09 5.56 1.02 0.97 0.13 119.74 128.05 2e6p s LYS 64 Ca -0.03 0.28 0.03 0.00 0.02 0.00 0.00 55.97 56.26 2e6p s LYS 64 Cb 0.12 -3.58 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2e6p s LYS 64 CO 0.85 -0.16 -0.19 -1.01 -0.92 0.00 0.00 175.35 173.92 2e6p s HIS 65 N 1.69 2.17 0.04 3.18 3.76 0.18 0.63 115.29 126.94 2e6p s HIS 65 Ca 0.21 -0.90 -0.03 0.00 -0.15 0.00 0.00 55.06 54.18 2e6p s HIS 65 Cb -0.15 -1.49 -0.02 0.00 1.11 0.00 0.00 32.58 32.03 2e6p s HIS 65 CO 0.09 -0.39 0.05 -0.98 -0.85 0.00 0.00 174.74 172.65 2e6p s ARG 66 N 0.53 0.54 -0.16 1.40 1.70 -0.97 -0.36 118.95 121.63 2e6p s ARG 66 Ca -0.16 -0.83 0.01 0.00 -0.47 0.00 0.00 55.73 54.29 2e6p s ARG 66 Cb -0.17 0.20 0.01 0.00 -0.57 0.00 0.00 34.95 34.42 2e6p s ARG 66 CO 0.06 -0.12 -0.20 -1.17 -1.08 0.00 0.00 175.30 172.79 2e6p s LEU 67 N -2.17 2.21 0.08 -1.89 0.20 -1.26 -1.79 118.68 114.06 2e6p s LEU 67 Ca -0.05 -0.59 0.01 0.00 0.69 0.00 0.00 54.13 54.19 2e6p s LEU 67 Cb -0.01 -1.48 -0.04 0.00 -0.43 0.00 0.00 46.19 44.23 2e6p s LEU 67 CO -0.05 0.06 0.23 -0.63 -0.29 0.00 0.00 176.35 175.67 2e6p s ILE 68 N 0.97 5.37 -0.05 6.68 1.01 0.44 -1.68 121.20 133.94 2e6p s ILE 68 Ca -0.03 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 2e6p s ILE 68 Cb -0.15 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.70 2e6p s ILE 68 CO -0.05 0.08 0.07 -0.76 0.00 0.00 0.00 174.94 174.28 2e6p s LEU 69 N -2.71 0.14 0.16 2.97 1.43 0.02 -1.98 118.68 118.71 2e6p s LEU 69 Ca 0.35 0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 53.41 2e6p s LEU 69 Cb -0.12 -0.11 0.02 0.00 0.03 0.00 0.00 46.19 46.01 2e6p s LEU 69 CO 0.28 -0.26 1.50 1.55 0.23 0.00 0.00 176.35 179.66 2e6p h PRO 70 N 8.43 0.85 -4.02 1.29 0.13 -1.82 -2.56 132.00 134.31 2e6p h PRO 70 Ca -0.12 -0.45 -0.57 0.00 -0.87 0.00 0.00 66.00 63.99 2e6p h PRO 70 Cb 1.12 0.01 -0.39 0.00 0.13 0.00 0.00 31.00 31.88 2e6p h PRO 70 CO 0.16 1.09 -0.78 -2.00 -0.23 0.00 0.00 178.00 176.24 2e6p s GLU 71 N -4.35 1.22 -0.93 0.86 2.12 -1.25 -4.41 118.70 111.95 2e6p s GLU 71 Ca -0.10 -0.76 -0.24 0.00 0.36 0.00 0.00 54.97 54.23 2e6p s GLU 71 Cb 0.11 -2.39 0.05 0.00 0.26 0.00 0.00 34.13 32.16 2e6p s GLU 71 CO 0.87 -0.62 1.39 0.00 -0.54 0.00 0.00 175.26 176.35 2e6p s ALA 72 N 1.58 2.74 0.27 6.30 0.00 -0.20 -4.85 121.76 127.60 2e6p s ALA 72 Ca -0.04 -1.99 -0.20 0.00 0.00 0.00 0.00 51.96 49.74 2e6p s ALA 72 Cb -0.18 -4.43 -0.09 0.00 0.00 0.00 0.00 23.12 18.42 2e6p s ALA 72 CO -0.07 -3.50 0.77 0.15 0.00 0.00 0.00 175.76 173.11 2e6p s LYS 73 N 5.17 4.24 0.52 0.00 1.02 -1.26 -2.23 119.74 127.20 2e6p s LYS 73 Ca 0.42 0.90 0.40 0.00 0.02 0.00 0.00 55.97 57.71 2e6p s LYS 73 Cb -0.03 -2.72 1.58 0.00 -0.52 0.00 0.00 37.83 36.14 2e6p s LYS 73 CO -0.02 0.30 1.67 0.28 -0.92 0.00 0.00 175.35 176.66 2e6p h VAL 74 N 2.49 0.20 -0.41 3.17 2.07 -1.94 1.06 116.25 122.88 2e6p h VAL 74 Ca -0.48 -0.01 -0.14 0.00 0.82 0.00 0.00 66.70 66.89 2e6p h VAL 74 Cb 1.19 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2e6p h VAL 74 CO 0.65 0.01 -0.30 1.56 0.02 0.00 0.00 177.57 179.50 2e6p h GLN 75 N 0.04 0.91 -0.86 1.57 4.20 -1.93 -2.93 115.11 116.11 2e6p h GLN 75 Ca 0.77 -0.43 0.21 0.00 0.06 0.00 0.00 58.65 59.26 2e6p h GLN 75 Cb 2.90 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 30.61 2e6p h GLN 75 CO -0.11 1.09 0.58 -0.44 -0.67 0.00 0.00 178.83 179.28 2e6p h ASP 76 N 0.77 0.29 -2.80 1.46 5.19 0.81 -3.42 116.42 118.72 2e6p h ASP 76 Ca 0.08 0.03 -0.59 0.00 -0.62 0.00 0.00 57.03 55.93 2e6p h ASP 76 Cb 0.88 -0.02 0.11 0.00 0.18 0.00 0.00 39.33 40.47 2e6p h ASP 76 CO 0.08 0.12 0.34 -1.54 -3.12 0.00 0.00 179.24 175.11 2e6p n SER 77 N -4.45 2.03 0.00 6.45 3.41 -1.11 -4.83 113.62 115.13 2e6p n SER 77 Ca 0.18 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.98 2e6p n SER 77 Cb 0.73 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 2e6p n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e6p n GLY 78 N 1.17 0.28 3.63 5.00 0.00 0.06 -4.95 105.19 110.38 2e6p n GLY 78 Ca 0.08 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 2e6p n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e6p s GLU 79 N -2.00 3.97 -0.16 1.61 -6.30 -1.26 -0.32 118.70 114.24 2e6p s GLU 79 Ca 0.00 -0.35 -0.05 0.00 -2.50 0.00 0.00 54.97 52.08 2e6p s GLU 79 Cb 0.00 -3.22 -0.03 0.00 0.00 0.00 0.00 34.13 30.88 2e6p s GLU 79 CO 0.00 0.26 -0.01 -0.06 0.02 0.00 0.00 175.26 175.47 2e6p s PHE 80 N 0.40 3.10 -0.08 5.30 0.40 0.07 -2.47 117.98 124.69 2e6p s PHE 80 Ca 0.03 -0.16 0.05 0.00 -0.60 0.00 0.00 56.93 56.25 2e6p s PHE 80 Cb -0.12 -1.98 -0.00 0.00 0.51 0.00 0.00 43.02 41.42 2e6p s PHE 80 CO 0.00 0.05 -0.24 -2.00 0.70 0.00 0.00 175.22 173.73 2e6p s GLU 81 N 0.28 2.84 -0.53 0.44 2.12 0.11 -0.14 118.70 123.82 2e6p s GLU 81 Ca -0.01 -0.89 -0.06 0.00 0.36 0.00 0.00 54.97 54.37 2e6p s GLU 81 Cb -0.13 -2.25 0.14 0.00 0.26 0.00 0.00 34.13 32.15 2e6p s GLU 81 CO 0.02 0.27 0.37 0.00 -0.54 0.00 0.00 175.26 175.38 2e6p s ARG 83 N 0.71 3.93 0.00 0.00 3.52 -0.82 -2.39 118.95 123.90 2e6p s ARG 83 Ca 0.11 0.56 0.00 0.00 -0.13 0.00 0.00 55.73 56.27 2e6p s ARG 83 Cb -0.22 -2.46 0.00 0.00 -1.56 0.00 0.00 34.95 30.71 2e6p s ARG 83 CO -0.03 0.15 0.00 -2.37 -0.81 0.00 0.00 175.30 172.24 2e6p n THR 84 N -0.49 0.00 0.02 4.11 5.66 -1.18 -1.45 114.28 120.95 2e6p n THR 84 Ca 0.03 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.02 2e6p n THR 84 Cb 0.53 -0.19 -0.00 0.00 -1.55 0.00 0.00 70.33 69.12 2e6p n THR 84 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2e6p n GLU 85 N -1.73 0.02 0.00 1.09 2.13 -1.26 -4.61 120.64 116.28 2e6p n GLU 85 Ca 0.00 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2e6p n GLU 85 Cb 0.00 -0.30 0.00 0.00 0.27 0.00 0.00 31.44 31.41 2e6p n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2e6p n GLY 86 N 3.33 0.00 3.59 8.31 0.00 -1.26 -5.08 105.19 114.07 2e6p n GLY 86 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2e6p n GLY 86 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2e6p s VAL 87 N -1.19 3.17 0.19 1.61 -7.23 -1.26 -5.15 120.40 110.54 2e6p s VAL 87 Ca 0.00 -1.96 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 2e6p s VAL 87 Cb 0.00 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 2e6p s VAL 87 CO 0.00 -0.32 0.18 -0.44 -0.31 0.00 0.00 175.10 174.21 2e6p s SER 88 N -3.43 0.14 0.56 4.85 0.01 -1.26 -3.09 113.70 111.48 2e6p s SER 88 Ca 0.29 -1.22 0.06 0.00 1.31 0.00 0.00 55.95 56.39 2e6p s SER 88 Cb -0.07 0.40 0.05 0.00 0.21 0.00 0.00 66.02 66.61 2e6p s SER 88 CO 0.18 -0.86 0.48 0.00 0.41 0.00 0.00 173.24 173.44 2e6p s ALA 89 N -4.09 4.52 -0.12 1.44 0.00 -1.01 -4.87 121.76 117.63 2e6p s ALA 89 Ca 0.31 -1.37 -0.05 0.00 0.00 0.00 0.00 51.96 50.85 2e6p s ALA 89 Cb 0.06 -0.85 0.06 0.00 0.00 0.00 0.00 23.12 22.38 2e6p s ALA 89 CO 0.08 -0.54 0.26 -0.06 0.00 0.00 0.00 175.76 175.50 2e6p s PHE 90 N -2.77 -0.39 -0.14 0.00 0.40 -1.25 -3.07 117.98 110.76 2e6p s PHE 90 Ca 0.38 0.90 -0.00 0.00 -0.60 0.00 0.00 56.93 57.61 2e6p s PHE 90 Cb -0.03 0.02 0.03 0.00 0.51 0.00 0.00 43.02 43.55 2e6p s PHE 90 CO 0.24 -0.30 -0.07 -0.06 0.70 0.00 0.00 175.22 175.73 2e6p s PHE 91 N 1.80 1.65 -0.03 0.36 0.40 0.80 -3.36 117.98 119.61 2e6p s PHE 91 Ca -0.04 -0.95 -0.27 0.00 -0.60 0.00 0.00 56.93 55.06 2e6p s PHE 91 Cb -0.11 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 2e6p s PHE 91 CO -0.09 -0.58 0.86 0.20 0.70 0.00 0.00 175.22 176.32 2e6p s GLY 92 N 1.65 2.79 0.01 4.36 0.00 -1.01 -0.75 107.32 114.38 2e6p s GLY 92 Ca 0.03 0.37 0.04 0.00 0.00 0.00 0.00 44.72 45.16 2e6p s GLY 92 CO -0.08 1.47 -0.12 0.14 0.00 0.00 0.00 173.10 174.51 2e6p s VAL 93 N 0.90 0.94 -0.18 1.40 1.01 0.57 -0.87 120.40 124.16 2e6p s VAL 93 Ca 0.46 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 2e6p s VAL 93 Cb -0.20 -0.82 0.07 0.00 0.00 0.00 0.00 36.38 35.43 2e6p s VAL 93 CO 0.24 0.12 0.12 -0.89 0.00 0.00 0.00 175.10 174.69 2e6p s THR 94 N -0.54 -0.14 -0.59 3.92 2.01 -1.16 -0.76 115.64 118.38 2e6p s THR 94 Ca 0.02 -0.18 -0.19 0.00 0.31 0.00 0.00 61.69 61.65 2e6p s THR 94 Cb -0.06 -0.62 0.09 0.00 0.01 0.00 0.00 72.50 71.93 2e6p s THR 94 CO 0.00 -0.29 0.72 -0.69 -0.69 0.00 0.00 174.62 173.67 2e6p s VAL 95 N 2.18 4.78 -0.24 3.82 1.01 -1.25 -0.27 120.40 130.42 2e6p s VAL 95 Ca 0.03 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 2e6p s VAL 95 Cb -0.16 -4.48 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 2e6p s VAL 95 CO -0.11 -1.12 0.42 -1.10 0.00 0.00 0.00 175.10 173.20 2e6p s GLN 96 N 2.81 4.08 0.20 2.72 -0.21 0.35 -4.68 119.66 124.93 2e6p s GLN 96 Ca 0.13 0.18 -0.31 0.00 0.02 0.00 0.00 55.36 55.38 2e6p s GLN 96 Cb -0.23 -3.62 -0.10 0.00 1.00 0.00 0.00 33.01 30.07 2e6p s GLN 96 CO 0.07 -0.22 1.44 0.16 -2.12 0.00 0.00 175.29 174.62 2e6p s ASP 97 N 1.42 6.70 1.25 5.90 -4.77 -1.26 -2.84 116.67 123.06 2e6p s ASP 97 Ca 0.18 2.57 -0.21 0.00 -3.30 0.00 0.00 52.55 51.79 2e6p s ASP 97 Cb -0.15 -2.61 0.31 0.00 -1.09 0.00 0.00 42.92 39.38 2e6p s ASP 97 CO 0.09 -0.70 1.12 -2.16 0.70 0.00 0.00 175.17 174.22 2e6p s PRO 98 N 0.23 -1.63 -1.13 2.11 0.04 -1.26 -4.93 135.00 128.42 2e6p s PRO 98 Ca 0.62 -0.22 -0.09 0.00 0.04 0.00 0.00 61.00 61.35 2e6p s PRO 98 Cb -0.41 -1.56 0.27 0.00 0.04 0.00 0.00 34.50 32.84 2e6p s PRO 98 CO 0.38 -3.95 1.20 0.45 0.04 0.00 0.00 177.00 175.11 2e6p n SER 99 N -4.90 5.57 -3.74 6.66 2.88 -1.26 -4.97 113.62 113.85 2e6p n SER 99 Ca 0.15 -3.07 -0.13 0.00 -1.33 0.00 0.00 58.87 54.50 2e6p n SER 99 Cb 0.60 -1.39 -0.13 0.00 -0.75 0.00 0.00 64.21 62.53 2e6p n SER 99 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e6p s GLY 100 N 1.19 -0.12 0.03 0.46 0.00 -1.26 -5.13 107.32 102.49 2e6p s GLY 100 Ca 0.32 0.88 -0.30 0.00 0.00 0.00 0.00 44.72 45.62 2e6p s GLY 100 CO -0.05 1.10 1.42 2.56 0.00 0.00 0.00 173.10 178.13 2e6p s PRO 101 N 1.07 4.28 -0.26 2.90 0.04 -1.26 -5.01 135.00 136.77 2e6p s PRO 101 Ca -0.08 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.82 2e6p s PRO 101 Cb -0.09 -3.51 0.07 0.00 0.04 0.00 0.00 34.50 31.01 2e6p s PRO 101 CO -0.07 -0.56 0.64 0.45 0.04 0.00 0.00 177.00 177.50 2e6p s SER 102 N 1.78 -0.83 0.57 6.66 0.15 -1.26 -5.02 113.70 115.75 2e6p s SER 102 Ca 0.65 1.39 0.37 0.00 0.70 0.00 0.00 55.95 59.06 2e6p s SER 102 Cb -0.33 1.29 1.76 0.00 -1.71 0.00 0.00 66.02 67.03 2e6p s SER 102 CO 0.28 -0.23 2.11 0.77 1.20 0.00 0.00 173.24 177.37 2e6p h SER 103 N 6.64 0.00 0.00 5.45 4.64 -2.09 -3.56 113.55 124.62 2e6p h SER 103 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2e6p h SER 103 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2e6p h SER 103 CO 0.17 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.74