#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e6p n SER 2 N 0.00 -0.67 -2.53 1.61 2.88 -1.26 -1.47 113.62 112.18 2e6p n SER 2 Ca 0.00 0.73 -0.15 0.00 -1.33 0.00 0.00 58.87 58.13 2e6p n SER 2 Cb 0.00 -1.22 -0.00 0.00 -0.75 0.00 0.00 64.21 62.23 2e6p n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2e6p n SER 3 N 0.12 -4.27 -4.27 -3.46 2.88 -1.26 -4.94 113.62 98.41 2e6p n SER 3 Ca 0.12 0.10 -0.19 0.00 -1.33 0.00 0.00 58.87 57.57 2e6p n SER 3 Cb 0.48 -3.60 -0.11 0.00 -0.75 0.00 0.00 64.21 60.23 2e6p n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e6p s GLY 4 N -2.11 1.19 1.13 0.46 0.00 -0.54 -5.15 107.32 102.30 2e6p s GLY 4 Ca 0.04 -1.37 -0.15 0.00 0.00 0.00 0.00 44.72 43.25 2e6p s GLY 4 CO 0.05 -1.43 1.06 -0.56 0.00 0.00 0.00 173.10 172.23 2e6p s SER 5 N -2.55 1.47 -0.16 1.64 0.01 -1.26 -4.84 113.70 108.02 2e6p s SER 5 Ca 0.12 1.12 -0.29 0.00 1.31 0.00 0.00 55.95 58.20 2e6p s SER 5 Cb -0.05 -1.71 -0.01 0.00 0.21 0.00 0.00 66.02 64.45 2e6p s SER 5 CO 0.04 -3.84 1.18 -0.94 0.41 0.00 0.00 173.24 170.09 2e6p s SER 6 N -3.26 7.02 0.00 2.44 1.04 -1.26 -4.79 113.70 114.89 2e6p s SER 6 Ca 0.68 1.63 0.00 0.00 0.48 0.00 0.00 55.95 58.74 2e6p s SER 6 Cb -0.18 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2e6p s SER 6 CO 0.59 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.74 2e6p n GLY 7 N 3.46 3.07 0.07 7.32 0.00 -1.26 -5.02 105.19 112.84 2e6p n GLY 7 Ca 0.13 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 2e6p n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e6p h PRO 8 N 0.00 -0.04 -3.39 1.61 0.13 -1.89 -3.46 132.00 124.97 2e6p h PRO 8 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.88 2e6p h PRO 8 Cb 0.00 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 30.83 2e6p h PRO 8 CO 0.00 0.43 -0.64 0.54 -0.23 0.00 0.00 178.00 178.10 2e6p s VAL 9 N -4.22 -0.04 -0.04 1.56 0.11 -1.26 -4.73 120.40 111.78 2e6p s VAL 9 Ca -0.16 0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 2e6p s VAL 9 Cb 0.02 -0.17 0.02 0.00 -1.53 0.00 0.00 36.38 34.71 2e6p s VAL 9 CO 0.65 0.06 -0.05 -1.38 -3.33 0.00 0.00 175.10 171.06 2e6p s HIS 10 N 0.91 0.69 0.33 1.54 -3.43 -1.26 -4.22 115.29 109.84 2e6p s HIS 10 Ca -0.07 -0.17 -0.29 0.00 -0.80 0.00 0.00 55.06 53.73 2e6p s HIS 10 Cb -0.10 -0.60 -0.10 0.00 -1.43 0.00 0.00 32.58 30.35 2e6p s HIS 10 CO -0.04 -0.15 1.32 0.42 -2.00 0.00 0.00 174.74 174.29 2e6p s ILE 11 N 0.74 2.68 -0.16 -5.38 1.01 -1.26 -2.32 121.20 116.51 2e6p s ILE 11 Ca -0.10 0.68 0.10 0.00 0.00 0.00 0.00 60.65 61.33 2e6p s ILE 11 Cb -0.13 -3.43 -0.17 0.00 0.01 0.00 0.00 42.46 38.74 2e6p s ILE 11 CO 0.00 0.16 -0.01 0.18 0.00 0.00 0.00 174.94 175.27 2e6p n LEU 12 N 0.87 0.78 -3.65 2.97 4.77 -1.14 -4.95 117.00 116.64 2e6p n LEU 12 Ca 0.00 -0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.88 2e6p n LEU 12 Cb 0.42 0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 2e6p n LEU 12 CO 0.59 0.48 0.32 -0.55 -1.33 0.00 0.00 177.39 176.90 2e6p s SER 13 N -5.08 -0.88 0.99 -1.43 0.15 -1.26 -4.46 113.70 101.74 2e6p s SER 13 Ca -0.12 1.43 0.00 0.00 0.70 0.00 0.00 55.95 57.96 2e6p s SER 13 Cb 0.05 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 2e6p s SER 13 CO 0.56 -0.23 0.00 -0.81 1.20 0.00 0.00 173.24 173.96 2e6p n PRO 14 N 4.18 -1.00 0.00 5.44 -0.04 -1.26 0.78 135.00 143.10 2e6p n PRO 14 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2e6p n PRO 14 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 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 -1.49 2.83 -4.16 0.54 1.13 -1.26 -4.92 117.38 110.04 2e6p n GLN 15 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 2e6p n GLN 15 Cb 0.00 -0.86 -0.10 0.00 0.11 0.00 0.00 30.24 29.39 2e6p n GLN 15 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2e6p s ASP 16 N -2.39 1.17 -0.00 1.08 1.01 -1.26 -5.10 116.67 111.17 2e6p s ASP 16 Ca 0.00 -0.94 -0.40 0.00 0.71 0.00 0.00 52.55 51.92 2e6p s ASP 16 Cb 0.00 0.08 -0.20 0.00 1.01 0.00 0.00 42.92 43.81 2e6p s ASP 16 CO 0.00 -0.42 1.08 1.17 0.21 0.00 0.00 175.17 177.21 2e6p n LYS 17 N 0.15 0.01 -3.79 8.23 3.00 -1.26 -4.94 118.16 119.56 2e6p n LYS 17 Ca -0.13 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 57.93 2e6p n LYS 17 Cb 0.60 -1.50 -0.00 0.00 0.00 0.00 0.00 35.03 34.12 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 0.02 1.76 -0.18 3.15 -7.23 -1.21 -5.06 120.40 111.65 2e6p s VAL 18 Ca 0.91 -1.44 -0.06 0.00 -1.81 0.00 0.00 61.98 59.58 2e6p s VAL 18 Cb -1.27 -2.20 0.09 0.00 0.56 0.00 0.00 36.38 33.56 2e6p s VAL 18 CO 0.57 0.00 0.35 -0.94 -0.31 0.00 0.00 175.10 174.77 2e6p s SER 19 N -4.31 0.06 0.10 4.85 1.04 -1.26 -3.42 113.70 110.77 2e6p s SER 19 Ca 0.37 0.74 0.05 0.00 0.48 0.00 0.00 55.95 57.59 2e6p s SER 19 Cb -0.02 1.07 -0.04 0.00 0.10 0.00 0.00 66.02 67.13 2e6p s SER 19 CO 0.23 -0.24 -0.13 -0.76 0.98 0.00 0.00 173.24 173.32 2e6p s LEU 20 N 2.53 2.38 -0.01 2.42 1.43 0.48 -4.98 118.68 122.93 2e6p s LEU 20 Ca 0.01 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 2e6p s LEU 20 Cb -0.12 -0.48 0.01 0.00 0.03 0.00 0.00 46.19 45.63 2e6p s LEU 20 CO -0.11 -0.16 0.01 -0.89 0.23 0.00 0.00 176.35 175.43 2e6p s THR 21 N -2.02 -0.01 0.20 5.49 2.01 -1.26 -2.41 115.64 117.64 2e6p s THR 21 Ca 0.05 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.14 2e6p s THR 21 Cb -0.06 -0.05 -0.05 0.00 0.01 0.00 0.00 72.50 72.36 2e6p s THR 21 CO 0.02 0.04 0.05 -0.36 -0.69 0.00 0.00 174.62 173.68 2e6p s PHE 22 N 0.41 1.30 -0.02 4.92 0.08 0.63 -4.94 117.98 120.35 2e6p s PHE 22 Ca -0.03 -1.13 -0.02 0.00 0.12 0.00 0.00 56.93 55.87 2e6p s PHE 22 Cb -0.05 -0.74 -0.04 0.00 -0.57 0.00 0.00 43.02 41.62 2e6p s PHE 22 CO -0.01 -0.32 0.11 0.99 -0.10 0.00 0.00 175.22 175.89 2e6p s THR 23 N -3.77 4.97 0.81 0.64 2.01 -1.26 -1.63 115.64 117.41 2e6p s THR 23 Ca 0.30 -0.27 -0.16 0.00 0.31 0.00 0.00 61.69 61.88 2e6p s THR 23 Cb 0.07 -3.26 -0.08 0.00 0.01 0.00 0.00 72.50 69.24 2e6p s THR 23 CO 0.08 0.39 -0.01 0.41 -0.69 0.00 0.00 174.62 174.80 2e6p n THR 24 N 1.27 0.59 -3.78 -0.82 -1.04 -1.21 -2.87 114.28 106.42 2e6p n THR 24 Ca -0.14 -0.41 -0.23 0.00 -2.04 0.00 0.00 64.05 61.23 2e6p n THR 24 Cb 0.53 -0.37 0.02 0.00 -1.82 0.00 0.00 70.33 68.69 2e6p n THR 24 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2e6p n SER 25 N 1.13 -1.29 -3.93 8.00 3.41 -1.05 -4.88 113.62 115.02 2e6p n SER 25 Ca 0.05 -0.90 -0.17 0.00 -0.26 0.00 0.00 58.87 57.59 2e6p n SER 25 Cb 0.52 -3.68 -0.09 0.00 -0.26 0.00 0.00 64.21 60.70 2e6p n SER 25 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2e6p s GLU 26 N -6.14 1.53 -0.33 4.33 0.41 -1.14 -4.85 118.70 112.51 2e6p s GLU 26 Ca 0.05 -1.86 -0.13 0.00 -0.41 0.00 0.00 54.97 52.61 2e6p s GLU 26 Cb -0.02 0.06 -0.02 0.00 -1.78 0.00 0.00 34.13 32.38 2e6p s GLU 26 CO 0.84 -0.47 0.27 0.50 -0.49 0.00 0.00 175.26 175.91 2e6p s ARG 27 N -3.83 3.57 -0.27 1.61 3.52 -1.26 -1.30 118.95 120.99 2e6p s ARG 27 Ca 0.37 -0.54 -0.05 0.00 -0.13 0.00 0.00 55.73 55.38 2e6p s ARG 27 Cb 0.05 -3.79 0.01 0.00 -1.56 0.00 0.00 34.95 29.66 2e6p s ARG 27 CO 0.18 -0.44 0.02 0.08 -0.81 0.00 0.00 175.30 174.34 2e6p s VAL 28 N 1.81 3.60 -0.13 7.11 1.01 -0.82 -4.94 120.40 128.05 2e6p s VAL 28 Ca 0.08 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 2e6p s VAL 28 Cb -0.17 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.43 2e6p s VAL 28 CO 0.11 0.18 -0.09 0.54 0.00 0.00 0.00 175.10 175.84 2e6p s VAL 29 N 1.46 1.18 0.54 2.92 0.11 -1.26 -0.36 120.40 124.99 2e6p s VAL 29 Ca 0.03 -0.42 -0.03 0.00 -2.93 0.00 0.00 61.98 58.62 2e6p s VAL 29 Cb -0.16 -1.19 0.11 0.00 -1.53 0.00 0.00 36.38 33.61 2e6p s VAL 29 CO -0.00 0.36 0.74 0.18 -3.33 0.00 0.00 175.10 173.05 2e6p n LEU 30 N 4.89 0.00 -3.74 2.54 4.77 -0.51 -4.95 117.00 119.99 2e6p n LEU 30 Ca -0.13 -1.34 -0.13 0.00 -0.03 0.00 0.00 56.01 54.37 2e6p n LEU 30 Cb 0.50 -0.51 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 2e6p n LEU 30 CO 0.18 -0.92 0.05 -0.89 -1.33 0.00 0.00 177.39 174.48 2e6p s THR 31 N -2.29 0.02 -0.10 -5.08 2.01 -1.26 -4.04 115.64 104.89 2e6p s THR 31 Ca 0.47 -0.13 -0.20 0.00 0.31 0.00 0.00 61.69 62.14 2e6p s THR 31 Cb -0.02 -0.56 0.05 0.00 0.01 0.00 0.00 72.50 71.97 2e6p s THR 31 CO 0.32 -0.07 0.48 0.00 -0.69 0.00 0.00 174.62 174.65 2e6p s GLU 33 N -0.58 1.22 0.35 0.00 2.12 0.23 -1.57 118.70 120.48 2e6p s GLU 33 Ca -0.07 -1.23 0.03 0.00 0.36 0.00 0.00 54.97 54.06 2e6p s GLU 33 Cb -0.03 -1.54 -0.04 0.00 0.26 0.00 0.00 34.13 32.78 2e6p s GLU 33 CO 0.04 0.36 0.11 -0.51 -0.54 0.00 0.00 175.26 174.71 2e6p s LEU 34 N -2.00 1.96 0.00 2.70 1.43 -0.97 -2.90 118.68 118.90 2e6p s LEU 34 Ca 0.09 -1.53 0.16 0.00 -1.03 0.00 0.00 54.13 51.83 2e6p s LEU 34 Cb -0.10 -0.13 0.33 0.00 0.03 0.00 0.00 46.19 46.31 2e6p s LEU 34 CO 0.05 -0.80 1.24 -0.24 0.23 0.00 0.00 176.35 176.83 2e6p n SER 35 N -0.95 2.99 -3.86 2.29 2.88 -0.98 -4.71 113.62 111.27 2e6p n SER 35 Ca -0.03 -1.88 -0.27 0.00 -1.33 0.00 0.00 58.87 55.36 2e6p n SER 35 Cb 0.66 -0.21 -0.17 0.00 -0.75 0.00 0.00 64.21 63.74 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 -1.17 1.27 0.21 -1.46 0.52 -1.26 -4.84 118.95 112.23 2e6p s ARG 36 Ca 0.29 -0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 54.87 2e6p s ARG 36 Cb 0.16 -1.72 -0.08 0.00 0.52 0.00 0.00 34.95 33.83 2e6p s ARG 36 CO 0.23 -0.38 1.15 0.08 0.02 0.00 0.00 175.30 176.40 2e6p s VAL 37 N 1.73 3.59 -0.93 3.52 1.01 -1.26 -3.68 120.40 124.38 2e6p s VAL 37 Ca 0.03 1.42 -0.01 0.00 0.00 0.00 0.00 61.98 63.41 2e6p s VAL 37 Cb -0.14 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2e6p s VAL 37 CO -0.08 0.26 0.79 -0.67 0.00 0.00 0.00 175.10 175.40 2e6p n ASP 38 N 2.07 -3.12 -4.50 3.32 -0.08 -1.26 -4.83 116.55 108.14 2e6p n ASP 38 Ca 0.02 -0.52 -0.33 0.00 -1.51 0.00 0.00 54.79 52.46 2e6p n ASP 38 Cb 0.45 -4.25 -0.13 0.00 2.34 0.00 0.00 41.12 39.54 2e6p n ASP 38 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 2e6p s PHE 39 N -3.30 2.75 0.85 -0.67 5.36 -1.24 -5.07 117.98 116.66 2e6p s PHE 39 Ca 0.11 -0.12 -0.11 0.00 -0.96 0.00 0.00 56.93 55.85 2e6p s PHE 39 Cb -0.01 -1.63 0.10 0.00 -0.34 0.00 0.00 43.02 41.13 2e6p s PHE 39 CO 0.59 0.23 1.09 -1.25 -1.46 0.00 0.00 175.22 174.42 2e6p s PRO 40 N -0.84 1.64 -0.13 10.12 0.04 -1.26 -5.03 135.00 139.55 2e6p s PRO 40 Ca 0.12 0.96 -0.33 0.00 0.04 0.00 0.00 61.00 61.79 2e6p s PRO 40 Cb -0.11 -1.84 0.13 0.00 0.04 0.00 0.00 34.50 32.72 2e6p s PRO 40 CO 0.01 -2.01 1.22 0.00 0.04 0.00 0.00 177.00 176.26 2e6p s ALA 41 N -2.92 -2.10 -0.05 8.56 0.00 -1.26 -4.70 121.76 119.29 2e6p s ALA 41 Ca 0.63 1.28 -0.02 0.00 0.00 0.00 0.00 51.96 53.85 2e6p s ALA 41 Cb -0.18 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.04 2e6p s ALA 41 CO 0.57 -0.74 0.09 0.99 0.00 0.00 0.00 175.76 176.67 2e6p s THR 42 N -2.46 -0.13 0.07 0.00 2.01 -0.91 -5.01 115.64 109.21 2e6p s THR 42 Ca 0.11 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.14 2e6p s THR 42 Cb 0.01 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.28 2e6p s THR 42 CO -0.04 0.14 1.05 0.26 -0.69 0.00 0.00 174.62 175.33 2e6p s TRP 43 N 1.86 3.64 -0.06 4.92 0.52 -1.26 -2.06 118.94 126.49 2e6p s TRP 43 Ca -0.00 1.62 0.04 0.00 0.02 0.00 0.00 56.10 57.78 2e6p s TRP 43 Cb -0.12 -3.20 -0.00 0.00 -1.15 0.00 0.00 33.47 29.00 2e6p s TRP 43 CO -0.04 -0.36 -0.19 0.71 0.02 0.00 0.00 176.95 177.09 2e6p s TYR 44 N 0.54 1.99 -0.13 -1.98 2.02 0.12 -2.61 117.35 117.29 2e6p s TYR 44 Ca 0.52 -0.66 -0.00 0.00 -0.37 0.00 0.00 57.07 56.56 2e6p s TYR 44 Cb -0.25 -1.34 -0.02 0.00 -0.40 0.00 0.00 41.96 39.95 2e6p s TYR 44 CO 0.30 -0.25 -0.12 0.21 -1.57 0.00 0.00 175.55 174.12 2e6p s LYS 45 N 0.16 3.40 -1.61 -0.62 2.20 0.21 -0.60 119.74 122.87 2e6p s LYS 45 Ca -0.09 -0.67 -0.16 0.00 -0.36 0.00 0.00 55.97 54.69 2e6p s LYS 45 Cb -0.14 -2.65 0.12 0.00 -1.51 0.00 0.00 37.83 33.66 2e6p s LYS 45 CO 0.04 0.22 0.88 -3.47 -0.36 0.00 0.00 175.35 172.66 2e6p n ASP 46 N 3.51 -4.10 -0.90 1.43 2.03 -0.35 0.52 116.55 118.69 2e6p n ASP 46 Ca -0.18 -0.88 -0.10 0.00 0.52 0.00 0.00 54.79 54.15 2e6p n ASP 46 Cb 0.53 -3.30 -0.03 0.00 -0.72 0.00 0.00 41.12 37.59 2e6p n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2e6p n GLY 47 N -1.52 0.83 3.28 0.27 0.00 -1.26 -5.01 105.19 101.78 2e6p n GLY 47 Ca 0.06 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.34 1.13 -0.07 1.61 -1.52 0.19 -5.12 119.66 112.54 2e6p s GLN 48 Ca 0.00 -1.35 -0.29 0.00 -1.95 0.00 0.00 55.36 51.77 2e6p s GLN 48 Cb 0.00 -1.02 -0.02 0.00 -0.22 0.00 0.00 33.01 31.75 2e6p s GLN 48 CO 0.00 0.19 0.99 0.21 -0.25 0.00 0.00 175.29 176.43 2e6p s LYS 49 N -2.93 4.47 0.47 2.91 2.20 -1.26 0.67 119.74 126.27 2e6p s LYS 49 Ca 0.13 1.38 -0.12 0.00 -0.36 0.00 0.00 55.97 57.00 2e6p s LYS 49 Cb -0.04 -3.51 -0.06 0.00 -1.51 0.00 0.00 37.83 32.70 2e6p s LYS 49 CO 0.04 -0.21 0.87 0.14 -0.36 0.00 0.00 175.35 175.83 2e6p s VAL 50 N 1.63 4.70 -0.07 4.02 -7.23 -1.07 -4.86 120.40 117.52 2e6p s VAL 50 Ca 0.49 0.82 -0.00 0.00 -1.81 0.00 0.00 61.98 61.48 2e6p s VAL 50 Cb -0.19 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 32.96 2e6p s VAL 50 CO 0.21 -0.66 -0.02 -1.83 -0.31 0.00 0.00 175.10 172.49 2e6p s GLU 51 N -4.12 2.87 -0.37 4.82 -1.05 -1.26 -4.95 118.70 114.64 2e6p s GLU 51 Ca 0.54 -0.48 -0.23 0.00 -0.15 0.00 0.00 54.97 54.65 2e6p s GLU 51 Cb -0.10 -2.71 0.01 0.00 -0.44 0.00 0.00 34.13 30.89 2e6p s GLU 51 CO 0.34 0.68 0.78 -1.21 0.95 0.00 0.00 175.26 176.80 2e6p s GLU 52 N -0.95 3.71 0.23 -4.83 2.02 -1.26 -4.64 118.70 112.98 2e6p s GLU 52 Ca 0.14 0.26 -0.03 0.00 0.02 0.00 0.00 54.97 55.35 2e6p s GLU 52 Cb -0.11 -3.82 0.01 0.00 0.10 0.00 0.00 34.13 30.31 2e6p s GLU 52 CO 0.03 -0.88 0.37 0.45 0.02 0.00 0.00 175.26 175.25 2e6p n SER 53 N 6.44 -1.03 0.26 -0.19 2.88 -0.87 -4.96 113.62 116.15 2e6p n SER 53 Ca 0.03 -2.16 0.15 0.00 -1.33 0.00 0.00 58.87 55.56 2e6p n SER 53 Cb 0.48 1.85 0.86 0.00 -0.75 0.00 0.00 64.21 66.66 2e6p n SER 53 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2e6p h GLU 54 N 0.00 0.00 0.00 -1.46 4.11 -2.03 0.17 114.58 115.37 2e6p h GLU 54 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2e6p h GLU 54 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2e6p h GLU 54 CO 0.25 0.00 -0.58 1.28 0.07 0.00 0.00 179.01 180.02 2e6p n LEU 55 N -3.88 0.61 -3.73 3.06 4.77 -1.26 -4.70 117.00 111.87 2e6p n LEU 55 Ca -0.01 0.16 -0.29 0.00 -0.03 0.00 0.00 56.01 55.84 2e6p n LEU 55 Cb 0.18 -0.21 -0.16 0.00 -2.33 0.00 0.00 43.42 40.90 2e6p n LEU 55 CO 0.28 0.00 -0.35 -0.22 -1.33 0.00 0.00 177.39 175.77 2e6p s LEU 56 N -3.82 1.64 -0.14 2.23 0.20 0.58 -4.27 118.68 115.09 2e6p s LEU 56 Ca 0.08 -1.22 -0.07 0.00 0.69 0.00 0.00 54.13 53.61 2e6p s LEU 56 Cb 0.15 -0.72 -0.04 0.00 -0.43 0.00 0.00 46.19 45.15 2e6p s LEU 56 CO 0.71 -0.36 0.09 -0.69 -0.29 0.00 0.00 176.35 175.82 2e6p s VAL 57 N 1.75 5.10 -0.25 1.68 1.01 -0.82 -2.04 120.40 126.84 2e6p s VAL 57 Ca 0.04 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2e6p s VAL 57 Cb -0.17 -3.25 0.07 0.00 0.00 0.00 0.00 36.38 33.03 2e6p s VAL 57 CO -0.17 0.55 -0.03 -0.69 0.00 0.00 0.00 175.10 174.75 2e6p s VAL 58 N -0.40 1.53 -0.15 2.92 1.01 -1.26 -0.73 120.40 123.32 2e6p s VAL 58 Ca 0.10 -1.32 -0.09 0.00 0.00 0.00 0.00 61.98 60.67 2e6p s VAL 58 Cb -0.12 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 2e6p s VAL 58 CO 0.02 -0.19 0.17 -0.54 0.00 0.00 0.00 175.10 174.56 2e6p s LYS 59 N 1.38 3.83 0.16 2.72 -0.14 -1.00 -5.04 119.74 121.65 2e6p s LYS 59 Ca -0.03 -0.11 0.09 0.00 -1.36 0.00 0.00 55.97 54.57 2e6p s LYS 59 Cb -0.19 -3.30 -0.04 0.00 -1.68 0.00 0.00 37.83 32.62 2e6p s LYS 59 CO -0.08 0.54 -0.15 1.41 -0.76 0.00 0.00 175.35 176.32 2e6p s MET 60 N -0.37 1.86 0.01 1.68 -2.45 -1.26 -2.76 119.30 116.01 2e6p s MET 60 Ca 0.13 -1.30 -0.28 0.00 -1.25 0.00 0.00 55.69 52.99 2e6p s MET 60 Cb -0.12 -2.08 0.09 0.00 1.25 0.00 0.00 34.83 33.97 2e6p s MET 60 CO 0.02 0.44 0.79 -0.51 1.05 0.00 0.00 175.02 176.81 2e6p s ASP 61 N -2.60 -0.47 -0.69 1.11 1.01 0.52 -5.00 116.67 110.54 2e6p s ASP 61 Ca 0.22 0.19 -0.39 0.00 0.71 0.00 0.00 52.55 53.28 2e6p s ASP 61 Cb -0.09 0.46 -0.20 0.00 1.01 0.00 0.00 42.92 44.10 2e6p s ASP 61 CO 0.13 -0.67 2.34 0.61 0.21 0.00 0.00 175.17 177.79 2e6p n GLY 62 N 0.07 -0.28 3.84 0.21 0.00 -1.26 0.12 105.19 107.89 2e6p n GLY 62 Ca -0.13 1.13 -0.28 0.00 0.00 0.00 0.00 46.02 46.74 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 7.83 -5.53 -3.66 1.61 1.74 -1.25 -4.90 116.66 112.50 2e6p n ARG 63 Ca 0.59 0.62 -0.07 0.00 -0.77 0.00 0.00 57.85 58.22 2e6p n ARG 63 Cb -0.01 -5.43 -0.08 0.00 -1.02 0.00 0.00 32.46 25.91 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 -6.44 0.43 -0.12 5.56 1.02 0.33 -2.29 119.74 118.22 2e6p s LYS 64 Ca 0.49 1.11 -0.03 0.00 0.02 0.00 0.00 55.97 57.56 2e6p s LYS 64 Cb -0.24 0.38 0.04 0.00 -0.52 0.00 0.00 37.83 37.49 2e6p s LYS 64 CO 0.82 -0.22 0.04 -1.01 -0.92 0.00 0.00 175.35 174.07 2e6p s HIS 65 N 2.39 0.55 0.07 3.18 3.76 -0.61 -0.36 115.29 124.28 2e6p s HIS 65 Ca -0.05 -0.31 0.06 0.00 -0.15 0.00 0.00 55.06 54.61 2e6p s HIS 65 Cb -0.11 -0.78 -0.03 0.00 1.11 0.00 0.00 32.58 32.77 2e6p s HIS 65 CO -0.15 -0.42 -0.15 -0.98 -0.85 0.00 0.00 174.74 172.19 2e6p s ARG 66 N 2.01 0.90 -0.21 1.40 1.70 -1.11 -2.28 118.95 121.37 2e6p s ARG 66 Ca 0.03 -0.94 -0.04 0.00 -0.47 0.00 0.00 55.73 54.31 2e6p s ARG 66 Cb -0.14 -0.95 -0.01 0.00 -0.57 0.00 0.00 34.95 33.27 2e6p s ARG 66 CO -0.06 0.22 -0.04 -1.17 -1.08 0.00 0.00 175.30 173.16 2e6p s LEU 67 N -1.62 2.96 0.10 -1.89 0.20 -1.26 -2.38 118.68 114.79 2e6p s LEU 67 Ca 0.00 -0.34 0.01 0.00 0.69 0.00 0.00 54.13 54.50 2e6p s LEU 67 Cb -0.09 -1.75 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 2e6p s LEU 67 CO 0.02 0.02 0.22 -0.63 -0.29 0.00 0.00 176.35 175.70 2e6p s ILE 68 N 1.24 5.24 -0.05 6.68 1.01 0.10 -1.43 121.20 134.00 2e6p s ILE 68 Ca 0.03 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 2e6p s ILE 68 Cb -0.14 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.74 2e6p s ILE 68 CO -0.01 0.04 0.06 -0.76 0.00 0.00 0.00 174.94 174.27 2e6p s LEU 69 N -2.80 0.15 0.19 2.97 1.43 0.51 -1.94 118.68 119.19 2e6p s LEU 69 Ca 0.34 0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.44 2e6p s LEU 69 Cb -0.12 -0.14 0.11 0.00 0.03 0.00 0.00 46.19 46.07 2e6p s LEU 69 CO 0.27 -0.25 1.54 1.55 0.23 0.00 0.00 176.35 179.69 2e6p h PRO 70 N 8.44 0.70 -3.66 1.29 0.13 -1.83 -2.17 132.00 134.89 2e6p h PRO 70 Ca -0.12 -0.37 -0.51 0.00 -0.87 0.00 0.00 66.00 64.13 2e6p h PRO 70 Cb 1.12 0.01 -0.39 0.00 0.13 0.00 0.00 31.00 31.87 2e6p h PRO 70 CO 0.16 0.98 -0.77 -2.00 -0.23 0.00 0.00 178.00 176.14 2e6p s GLU 71 N -4.27 0.75 -0.84 0.86 2.12 -1.25 -4.33 118.70 111.74 2e6p s GLU 71 Ca -0.09 -0.33 -0.22 0.00 0.36 0.00 0.00 54.97 54.70 2e6p s GLU 71 Cb 0.12 -1.86 0.08 0.00 0.26 0.00 0.00 34.13 32.73 2e6p s GLU 71 CO 0.85 -0.54 1.15 0.00 -0.54 0.00 0.00 175.26 176.18 2e6p s ALA 72 N 1.85 3.09 0.32 6.30 0.00 -0.42 -4.88 121.76 128.03 2e6p s ALA 72 Ca 0.00 -2.22 -0.10 0.00 0.00 0.00 0.00 51.96 49.64 2e6p s ALA 72 Cb -0.16 -4.10 -0.07 0.00 0.00 0.00 0.00 23.12 18.79 2e6p s ALA 72 CO -0.07 -3.07 0.67 0.15 0.00 0.00 0.00 175.76 173.44 2e6p s LYS 73 N 3.90 3.81 0.55 0.00 1.02 -1.26 -2.51 119.74 125.25 2e6p s LYS 73 Ca 0.32 0.39 0.35 0.00 0.02 0.00 0.00 55.97 57.05 2e6p s LYS 73 Cb -0.08 -2.50 1.52 0.00 -0.52 0.00 0.00 37.83 36.24 2e6p s LYS 73 CO -0.01 0.14 1.83 0.28 -0.92 0.00 0.00 175.35 176.67 2e6p h VAL 74 N 1.56 0.44 -0.21 3.17 2.07 -1.95 0.57 116.25 121.90 2e6p h VAL 74 Ca -0.47 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 66.92 2e6p h VAL 74 Cb 1.18 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2e6p h VAL 74 CO 0.66 0.00 -0.39 1.56 0.02 0.00 0.00 177.57 179.42 2e6p h GLN 75 N 0.00 0.48 0.00 1.57 1.08 -1.93 -2.43 115.11 113.88 2e6p h GLN 75 Ca 0.50 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 2e6p h GLN 75 Cb 2.05 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.48 2e6p h GLN 75 CO -0.01 0.79 0.00 -0.25 -0.95 0.00 0.00 178.83 178.42 2e6p n ASP 76 N -4.04 0.06 -4.57 1.46 9.92 0.20 -4.63 116.55 114.95 2e6p n ASP 76 Ca -0.01 0.52 -0.41 0.00 -0.53 0.00 0.00 54.79 54.36 2e6p n ASP 76 Cb 0.49 -0.53 -0.03 0.00 -0.64 0.00 0.00 41.12 40.42 2e6p n ASP 76 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2e6p s SER 77 N -3.12 5.57 0.00 -2.24 0.01 -0.92 -4.83 113.70 108.18 2e6p s SER 77 Ca 0.06 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.14 2e6p s SER 77 Cb 0.08 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2e6p s SER 77 CO 0.24 -2.05 0.00 0.61 0.41 0.00 0.00 173.24 172.45 2e6p n GLY 78 N 5.55 1.51 3.59 3.44 0.00 -0.88 -4.92 105.19 113.47 2e6p n GLY 78 Ca 0.22 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 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 1.02 3.38 0.15 1.61 2.56 -1.26 -0.66 118.70 125.49 2e6p s GLU 79 Ca 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 54.97 54.56 2e6p s GLU 79 Cb 0.00 -2.87 -0.04 0.00 2.00 0.00 0.00 34.13 33.22 2e6p s GLU 79 CO 0.00 0.45 0.11 -0.06 -0.56 0.00 0.00 175.26 175.20 2e6p s PHE 80 N -0.19 3.12 -0.15 5.30 0.40 0.34 -1.21 117.98 125.59 2e6p s PHE 80 Ca 0.04 -0.01 -0.09 0.00 -0.60 0.00 0.00 56.93 56.27 2e6p s PHE 80 Cb -0.13 -1.52 0.05 0.00 0.51 0.00 0.00 43.02 41.94 2e6p s PHE 80 CO 0.02 0.52 0.37 -2.00 0.70 0.00 0.00 175.22 174.83 2e6p s GLU 81 N -2.92 0.36 -1.11 0.44 2.12 0.23 -1.04 118.70 116.77 2e6p s GLU 81 Ca 0.30 0.69 -0.07 0.00 0.36 0.00 0.00 54.97 56.25 2e6p s GLU 81 Cb -0.10 -0.01 0.29 0.00 0.26 0.00 0.00 34.13 34.56 2e6p s GLU 81 CO 0.22 -0.14 1.27 0.00 -0.54 0.00 0.00 175.26 176.07 2e6p n ARG 83 N 2.20 2.48 -3.89 0.00 0.63 -0.88 -4.15 116.66 113.05 2e6p n ARG 83 Ca 0.25 0.89 -0.09 0.00 -0.92 0.00 0.00 57.85 57.97 2e6p n ARG 83 Cb 0.37 -2.64 -0.05 0.00 0.45 0.00 0.00 32.46 30.58 2e6p n ARG 83 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2e6p s THR 84 N 0.23 0.03 -1.06 5.15 -1.32 -1.10 -2.14 115.64 115.42 2e6p s THR 84 Ca 0.68 -1.17 -0.23 0.00 -1.21 0.00 0.00 61.69 59.76 2e6p s THR 84 Cb -0.56 -1.88 -0.12 0.00 -1.51 0.00 0.00 72.50 68.44 2e6p s THR 84 CO 0.46 -0.13 1.93 1.21 -2.21 0.00 0.00 174.62 175.88 2e6p n GLU 85 N -0.32 1.51 0.00 7.08 4.07 -1.26 -3.58 120.64 128.14 2e6p n GLU 85 Ca -0.06 -2.28 0.00 0.00 -0.06 0.00 0.00 57.16 54.76 2e6p n GLU 85 Cb 0.62 -3.52 0.00 0.00 -0.06 0.00 0.00 31.44 28.48 2e6p n GLU 85 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2e6p n GLY 86 N 5.48 0.01 2.55 8.31 0.00 -1.26 -4.35 105.19 115.93 2e6p n GLY 86 Ca 0.46 0.19 -0.15 0.00 0.00 0.00 0.00 46.02 46.52 2e6p n GLY 86 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2e6p n VAL 87 N 0.00 0.00 -3.76 1.61 0.24 -1.23 -5.04 118.33 110.14 2e6p n VAL 87 Ca 0.00 -1.88 -0.13 0.00 -2.04 0.00 0.00 64.34 60.29 2e6p n VAL 87 Cb 0.00 0.96 -0.10 0.00 -1.47 0.00 0.00 33.84 33.23 2e6p n VAL 87 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2e6p s SER 88 N -2.83 -0.24 0.35 -1.34 0.01 -1.26 -2.73 113.70 105.66 2e6p s SER 88 Ca 0.31 0.30 0.07 0.00 1.31 0.00 0.00 55.95 57.93 2e6p s SER 88 Cb 0.01 0.45 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 2e6p s SER 88 CO 0.22 -0.32 0.41 0.00 0.41 0.00 0.00 173.24 173.96 2e6p s ALA 89 N -0.75 4.12 -0.06 1.44 0.00 -1.26 -4.93 121.76 120.33 2e6p s ALA 89 Ca -0.08 -1.57 -0.01 0.00 0.00 0.00 0.00 51.96 50.30 2e6p s ALA 89 Cb -0.04 -1.46 0.03 0.00 0.00 0.00 0.00 23.12 21.64 2e6p s ALA 89 CO 0.03 -0.05 0.01 -0.06 0.00 0.00 0.00 175.76 175.68 2e6p s PHE 90 N -2.25 0.55 -0.18 0.00 0.40 -1.26 -3.44 117.98 111.79 2e6p s PHE 90 Ca 0.45 -0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.69 2e6p s PHE 90 Cb -0.08 -0.69 0.03 0.00 0.51 0.00 0.00 43.02 42.79 2e6p s PHE 90 CO 0.30 -0.27 -0.13 -0.06 0.70 0.00 0.00 175.22 175.75 2e6p s PHE 91 N 1.78 2.42 -0.56 0.36 0.08 -0.21 -3.30 117.98 118.56 2e6p s PHE 91 Ca 0.02 -1.50 -0.22 0.00 0.12 0.00 0.00 56.93 55.34 2e6p s PHE 91 Cb -0.13 -1.68 0.05 0.00 -0.57 0.00 0.00 43.02 40.70 2e6p s PHE 91 CO -0.04 -0.73 0.85 0.20 -0.10 0.00 0.00 175.22 175.40 2e6p s GLY 92 N 1.40 1.51 -0.06 4.36 0.00 -1.22 -0.51 107.32 112.81 2e6p s GLY 92 Ca 0.02 -1.50 -0.03 0.00 0.00 0.00 0.00 44.72 43.20 2e6p s GLY 92 CO -0.10 1.88 0.09 0.14 0.00 0.00 0.00 173.10 175.12 2e6p s VAL 93 N 3.57 4.95 -0.04 1.40 1.01 0.16 -0.38 120.40 131.06 2e6p s VAL 93 Ca 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 2e6p s VAL 93 Cb -0.15 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.06 2e6p s VAL 93 CO 0.15 0.48 0.06 -0.89 0.00 0.00 0.00 175.10 174.90 2e6p s THR 94 N -1.10 -0.10 -0.47 3.92 2.01 -1.01 -2.07 115.64 116.82 2e6p s THR 94 Ca 0.19 0.42 -0.11 0.00 0.31 0.00 0.00 61.69 62.51 2e6p s THR 94 Cb -0.12 -0.15 0.11 0.00 0.01 0.00 0.00 72.50 72.34 2e6p s THR 94 CO 0.09 0.18 0.35 -0.69 -0.69 0.00 0.00 174.62 173.86 2e6p s VAL 95 N 2.15 4.44 -0.29 3.82 1.01 -1.26 -0.27 120.40 129.99 2e6p s VAL 95 Ca 0.05 -1.58 -0.14 0.00 0.00 0.00 0.00 61.98 60.30 2e6p s VAL 95 Cb -0.12 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2e6p s VAL 95 CO -0.03 -0.70 0.33 -1.10 0.00 0.00 0.00 175.10 173.60 2e6p s GLN 96 N 1.43 3.86 0.23 2.72 -0.21 -0.65 -4.64 119.66 122.40 2e6p s GLN 96 Ca 0.04 -0.18 -0.32 0.00 0.02 0.00 0.00 55.36 54.93 2e6p s GLN 96 Cb -0.26 -3.70 -0.13 0.00 1.00 0.00 0.00 33.01 29.92 2e6p s GLN 96 CO 0.01 -0.34 1.51 -0.40 -2.12 0.00 0.00 175.29 173.95 2e6p n ASP 97 N 5.30 3.14 -4.70 5.90 5.75 -1.26 -3.34 116.55 127.34 2e6p n ASP 97 Ca -0.10 1.12 -0.29 0.00 -0.01 0.00 0.00 54.79 55.51 2e6p n ASP 97 Cb 0.51 -1.47 0.16 0.00 -1.03 0.00 0.00 41.12 39.28 2e6p n ASP 97 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2e6p s PRO 98 N -0.01 0.86 -1.06 0.11 0.04 -1.26 -4.92 135.00 128.75 2e6p s PRO 98 Ca 0.70 0.68 -0.14 0.00 0.04 0.00 0.00 61.00 62.28 2e6p s PRO 98 Cb -0.62 -1.77 0.19 0.00 0.04 0.00 0.00 34.50 32.34 2e6p s PRO 98 CO 0.45 -2.48 1.19 0.45 0.04 0.00 0.00 177.00 176.66 2e6p s SER 99 N -3.44 6.97 0.42 6.66 0.15 -1.26 -5.02 113.70 118.19 2e6p s SER 99 Ca 0.64 -2.85 -0.23 0.00 0.70 0.00 0.00 55.95 54.21 2e6p s SER 99 Cb -0.18 -2.33 -0.12 0.00 -1.71 0.00 0.00 66.02 61.68 2e6p s SER 99 CO 0.57 -0.70 0.71 0.61 1.20 0.00 0.00 173.24 175.63 2e6p n GLY 100 N 4.12 -1.05 3.71 9.45 0.00 -1.26 -4.88 105.19 115.29 2e6p n GLY 100 Ca 0.27 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 2e6p n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e6p s PRO 101 N -1.74 4.33 -0.73 1.61 0.04 -1.26 -4.99 135.00 132.26 2e6p s PRO 101 Ca 0.64 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 63.61 2e6p s PRO 101 Cb -0.59 -3.29 0.19 0.00 0.04 0.00 0.00 34.50 30.85 2e6p s PRO 101 CO 0.57 -0.43 0.62 -1.12 0.04 0.00 0.00 177.00 176.68 2e6p s SER 102 N 1.18 6.14 -0.01 6.66 0.01 -1.26 -5.06 113.70 121.37 2e6p s SER 102 Ca 0.64 -2.69 -0.21 0.00 1.31 0.00 0.00 55.95 55.00 2e6p s SER 102 Cb -0.36 -2.07 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 2e6p s SER 102 CO 0.30 -0.51 0.61 -0.94 0.41 0.00 0.00 173.24 173.11 2e6p s SER 103 N 1.69 6.99 0.00 2.44 1.04 -1.26 -5.35 113.70 119.25 2e6p s SER 103 Ca 0.17 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.77 2e6p s SER 103 Cb -0.15 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2e6p s SER 103 CO -0.06 0.08 0.13 0.61 0.98 0.00 0.00 173.24 174.98