#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 1.11 -4.40 1.61 2.88 -1.26 -4.82 113.62 108.74 2e6p n SER 2 Ca 0.00 -2.35 -0.20 0.00 -1.33 0.00 0.00 58.87 54.99 2e6p n SER 2 Cb 0.00 -1.65 -0.10 0.00 -0.75 0.00 0.00 64.21 61.70 2e6p n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2e6p s SER 3 N 8.10 2.14 -0.39 -3.46 0.01 -1.26 -5.09 113.70 113.74 2e6p s SER 3 Ca 0.77 -1.33 0.08 0.00 1.31 0.00 0.00 55.95 56.78 2e6p s SER 3 Cb -0.06 -0.04 0.34 0.00 0.21 0.00 0.00 66.02 66.48 2e6p s SER 3 CO 0.17 -0.58 1.30 0.61 0.41 0.00 0.00 173.24 175.16 2e6p n GLY 4 N -0.59 0.97 3.90 3.44 0.00 -1.26 -5.15 105.19 106.51 2e6p n GLY 4 Ca -0.03 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2e6p n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e6p s SER 5 N -1.07 6.44 -0.32 1.61 0.01 -1.26 -4.99 113.70 114.12 2e6p s SER 5 Ca 0.20 0.72 -0.27 0.00 1.31 0.00 0.00 55.95 57.90 2e6p s SER 5 Cb 0.35 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 64.38 2e6p s SER 5 CO -0.08 -0.20 2.23 -0.94 0.41 0.00 0.00 173.24 174.66 2e6p s SER 6 N -3.17 5.18 0.00 2.44 1.04 -1.26 -4.28 113.70 113.65 2e6p s SER 6 Ca 0.44 1.55 0.00 0.00 0.48 0.00 0.00 55.95 58.42 2e6p s SER 6 Cb -0.11 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2e6p s SER 6 CO 0.30 -2.23 0.00 0.61 0.98 0.00 0.00 173.24 172.90 2e6p n GLY 7 N 5.81 1.18 0.12 7.32 0.00 -1.26 -5.05 105.19 113.30 2e6p n GLY 7 Ca 0.31 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 0.30 -2.08 1.61 0.13 -1.90 -3.46 132.00 126.61 2e6p h PRO 8 Ca 0.00 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2e6p h PRO 8 Cb 0.00 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 30.92 2e6p h PRO 8 CO 0.00 0.70 -0.01 0.54 -0.23 0.00 0.00 178.00 179.00 2e6p s VAL 9 N -4.30 -0.00 0.02 1.56 0.11 -1.26 -4.83 120.40 111.71 2e6p s VAL 9 Ca -0.14 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 58.95 2e6p s VAL 9 Cb 0.05 -0.95 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 2e6p s VAL 9 CO 0.74 0.00 -0.11 -1.38 -3.33 0.00 0.00 175.10 171.02 2e6p s HIS 10 N 1.51 0.97 0.12 1.54 -3.43 -1.26 -4.06 115.29 110.67 2e6p s HIS 10 Ca -0.09 -0.30 -0.30 0.00 -0.80 0.00 0.00 55.06 53.57 2e6p s HIS 10 Cb -0.05 -0.59 -0.06 0.00 -1.43 0.00 0.00 32.58 30.45 2e6p s HIS 10 CO -0.18 -0.00 1.03 0.42 -2.00 0.00 0.00 174.74 174.01 2e6p s ILE 11 N -0.70 4.31 -0.21 -5.38 1.01 -1.26 -2.35 121.20 116.62 2e6p s ILE 11 Ca 0.00 1.88 0.10 0.00 0.00 0.00 0.00 60.65 62.63 2e6p s ILE 11 Cb -0.07 -4.20 -0.22 0.00 0.01 0.00 0.00 42.46 37.99 2e6p s ILE 11 CO 0.01 0.27 0.00 0.18 0.00 0.00 0.00 174.94 175.40 2e6p n LEU 12 N 2.88 1.45 -3.72 2.97 4.77 -0.89 -4.98 117.00 119.47 2e6p n LEU 12 Ca 0.03 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 2e6p n LEU 12 Cb 0.48 -0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 2e6p n LEU 12 CO 0.52 0.70 0.09 -0.94 -1.33 0.00 0.00 177.39 176.43 2e6p s SER 13 N -6.05 -0.45 0.85 -1.43 1.04 -1.22 -4.43 113.70 102.01 2e6p s SER 13 Ca -0.21 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2e6p s SER 13 Cb 0.07 0.84 0.00 0.00 0.10 0.00 0.00 66.02 67.03 2e6p s SER 13 CO 0.73 -0.15 0.00 -0.81 0.98 0.00 0.00 173.24 173.99 2e6p n PRO 14 N 3.13 -0.73 -0.03 4.02 -0.04 -1.26 -0.27 135.00 139.83 2e6p n PRO 14 Ca -0.15 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.36 2e6p n PRO 14 Cb 0.57 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.29 0.71 -3.45 0.54 6.02 -1.26 -4.98 117.38 113.66 2e6p n GLN 15 Ca 0.00 -0.13 -0.11 0.00 -0.01 0.00 0.00 57.00 56.75 2e6p n GLN 15 Cb 0.00 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 29.79 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 -4.39 -0.50 -0.04 1.08 1.47 -1.26 -5.12 116.67 107.90 2e6p s ASP 16 Ca -0.07 0.03 -0.29 0.00 1.18 0.00 0.00 52.55 53.40 2e6p s ASP 16 Cb 0.10 0.52 -0.14 0.00 -0.34 0.00 0.00 42.92 43.06 2e6p s ASP 16 CO 0.76 -0.83 0.80 1.17 0.68 0.00 0.00 175.17 177.75 2e6p n LYS 17 N -0.27 0.00 -3.68 2.11 4.81 -1.26 -4.92 118.16 114.95 2e6p n LYS 17 Ca -0.14 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.08 2e6p n LYS 17 Cb 0.64 -1.06 -0.04 0.00 0.02 0.00 0.00 35.03 34.59 2e6p n LYS 17 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2e6p s VAL 18 N 0.24 2.71 -0.02 3.15 -7.23 -0.91 -4.98 120.40 113.35 2e6p s VAL 18 Ca 0.66 -1.40 -0.00 0.00 -1.81 0.00 0.00 61.98 59.42 2e6p s VAL 18 Cb -0.92 -3.02 0.03 0.00 0.56 0.00 0.00 36.38 33.04 2e6p s VAL 18 CO 0.42 -0.02 0.03 -0.55 -0.31 0.00 0.00 175.10 174.67 2e6p s SER 19 N -4.08 0.21 0.21 4.85 0.15 -1.26 -0.69 113.70 113.09 2e6p s SER 19 Ca 0.46 0.05 0.01 0.00 0.70 0.00 0.00 55.95 57.16 2e6p s SER 19 Cb -0.02 -0.08 -0.05 0.00 -1.71 0.00 0.00 66.02 64.16 2e6p s SER 19 CO 0.27 -0.15 0.07 -0.76 1.20 0.00 0.00 173.24 173.88 2e6p s LEU 20 N 1.23 1.69 -0.07 3.45 1.43 0.16 -4.95 118.68 121.61 2e6p s LEU 20 Ca -0.07 -1.31 -0.04 0.00 -1.03 0.00 0.00 54.13 51.68 2e6p s LEU 20 Cb -0.13 0.10 0.03 0.00 0.03 0.00 0.00 46.19 46.22 2e6p s LEU 20 CO -0.03 -0.71 0.17 -0.89 0.23 0.00 0.00 176.35 175.12 2e6p s THR 21 N -3.84 -0.02 0.27 5.49 2.01 -1.26 -3.16 115.64 115.12 2e6p s THR 21 Ca 0.33 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.44 2e6p s THR 21 Cb 0.07 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 2e6p s THR 21 CO 0.09 0.03 0.18 -0.36 -0.69 0.00 0.00 174.62 173.88 2e6p s PHE 22 N 0.64 1.46 0.25 4.92 0.08 0.86 -4.94 117.98 121.25 2e6p s PHE 22 Ca -0.05 -1.46 0.08 0.00 0.12 0.00 0.00 56.93 55.63 2e6p s PHE 22 Cb -0.06 -0.69 -0.04 0.00 -0.57 0.00 0.00 43.02 41.66 2e6p s PHE 22 CO -0.03 -0.67 0.10 0.99 -0.10 0.00 0.00 175.22 175.51 2e6p s THR 23 N -3.79 4.01 0.26 0.64 2.01 -1.26 -0.91 115.64 116.60 2e6p s THR 23 Ca 0.39 -1.61 -0.30 0.00 0.31 0.00 0.00 61.69 60.48 2e6p s THR 23 Cb 0.05 -3.15 -0.11 0.00 0.01 0.00 0.00 72.50 69.31 2e6p s THR 23 CO 0.18 -0.35 1.51 -0.89 -0.69 0.00 0.00 174.62 174.39 2e6p s THR 24 N -2.19 2.41 -0.40 -0.82 2.01 -0.53 -3.09 115.64 113.04 2e6p s THR 24 Ca 0.32 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.65 2e6p s THR 24 Cb -0.07 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.22 2e6p s THR 24 CO 0.23 0.05 0.34 -0.24 -0.69 0.00 0.00 174.62 174.31 2e6p n SER 25 N 2.33 -2.50 -4.38 3.53 2.88 0.93 -4.83 113.62 111.58 2e6p n SER 25 Ca 0.08 -0.19 -0.26 0.00 -1.33 0.00 0.00 58.87 57.17 2e6p n SER 25 Cb 0.39 -1.96 -0.09 0.00 -0.75 0.00 0.00 64.21 61.81 2e6p n SER 25 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2e6p s GLU 26 N -4.78 1.92 -0.48 -1.46 2.02 -1.18 -4.80 118.70 109.94 2e6p s GLU 26 Ca 0.07 -2.16 -0.13 0.00 0.02 0.00 0.00 54.97 52.77 2e6p s GLU 26 Cb -0.03 -0.94 0.10 0.00 0.10 0.00 0.00 34.13 33.36 2e6p s GLU 26 CO 0.23 -0.35 0.38 0.50 0.02 0.00 0.00 175.26 176.04 2e6p s ARG 27 N -3.79 2.78 -0.14 1.61 3.52 -1.26 -1.51 118.95 120.15 2e6p s ARG 27 Ca 0.24 -1.58 -0.13 0.00 -0.13 0.00 0.00 55.73 54.13 2e6p s ARG 27 Cb 0.04 -4.05 -0.05 0.00 -1.56 0.00 0.00 34.95 29.34 2e6p s ARG 27 CO 0.13 -1.14 0.27 0.08 -0.81 0.00 0.00 175.30 173.83 2e6p s VAL 28 N 1.51 5.31 -0.05 7.11 1.01 -0.88 -4.91 120.40 129.50 2e6p s VAL 28 Ca 0.04 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.51 2e6p s VAL 28 Cb -0.26 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.56 2e6p s VAL 28 CO 0.03 0.45 0.08 -0.69 0.00 0.00 0.00 175.10 174.97 2e6p s VAL 29 N 0.05 -0.14 0.40 2.92 1.01 -1.26 0.74 120.40 124.12 2e6p s VAL 29 Ca 0.16 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2e6p s VAL 29 Cb -0.13 -0.18 0.08 0.00 0.00 0.00 0.00 36.38 36.15 2e6p s VAL 29 CO 0.05 0.17 0.55 0.18 0.00 0.00 0.00 175.10 176.05 2e6p n LEU 30 N 5.26 0.00 -3.64 3.92 4.77 -0.61 -4.94 117.00 121.76 2e6p n LEU 30 Ca -0.04 -1.19 -0.12 0.00 -0.03 0.00 0.00 56.01 54.62 2e6p n LEU 30 Cb 0.50 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 2e6p n LEU 30 CO 0.06 -0.76 0.37 -0.89 -1.33 0.00 0.00 177.39 174.84 2e6p s THR 31 N -1.58 -0.00 -0.15 -5.08 2.01 -1.26 -4.05 115.64 105.52 2e6p s THR 31 Ca 0.37 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.25 2e6p s THR 31 Cb -0.02 -0.96 0.04 0.00 0.01 0.00 0.00 72.50 71.57 2e6p s THR 31 CO 0.24 0.00 0.40 0.00 -0.69 0.00 0.00 174.62 174.57 2e6p s GLU 33 N 0.57 2.06 0.29 0.00 2.12 0.63 -0.42 118.70 123.96 2e6p s GLU 33 Ca -0.03 -0.99 0.01 0.00 0.36 0.00 0.00 54.97 54.33 2e6p s GLU 33 Cb -0.05 -2.19 -0.00 0.00 0.26 0.00 0.00 34.13 32.15 2e6p s GLU 33 CO -0.03 0.54 0.04 1.28 -0.54 0.00 0.00 175.26 176.54 2e6p n LEU 34 N 1.54 0.00 -0.00 2.70 4.77 0.59 -2.09 117.00 124.50 2e6p n LEU 34 Ca -0.16 -1.98 0.07 0.00 -0.03 0.00 0.00 56.01 53.90 2e6p n LEU 34 Cb 0.52 0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 41.94 2e6p n LEU 34 CO 0.27 -0.29 -0.05 -1.54 -1.33 0.00 0.00 177.39 174.45 2e6p n SER 35 N -1.43 0.72 -4.28 -1.43 3.41 -0.99 -4.67 113.62 104.95 2e6p n SER 35 Ca -0.09 -0.83 -0.32 0.00 -0.26 0.00 0.00 58.87 57.37 2e6p n SER 35 Cb 0.40 1.01 -0.16 0.00 -0.26 0.00 0.00 64.21 65.20 2e6p n SER 35 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2e6p s ARG 36 N -2.41 2.54 0.36 4.33 1.81 -1.26 -4.96 118.95 119.35 2e6p s ARG 36 Ca 0.05 -0.90 -0.12 0.00 -1.72 0.00 0.00 55.73 53.05 2e6p s ARG 36 Cb 0.11 -2.17 -0.07 0.00 -0.45 0.00 0.00 34.95 32.37 2e6p s ARG 36 CO 0.61 0.40 0.73 0.08 -0.68 0.00 0.00 175.30 176.44 2e6p s VAL 37 N -0.20 4.77 -0.95 3.52 1.01 -1.26 -3.90 120.40 123.39 2e6p s VAL 37 Ca -0.02 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2e6p s VAL 37 Cb -0.13 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2e6p s VAL 37 CO 0.03 -0.36 0.00 -0.90 0.00 0.00 0.00 175.10 173.88 2e6p n ASP 38 N -0.86 -3.06 -4.76 3.32 5.68 0.95 -4.88 116.55 112.95 2e6p n ASP 38 Ca 0.02 0.25 -0.40 0.00 -0.50 0.00 0.00 54.79 54.17 2e6p n ASP 38 Cb 0.54 -2.77 -0.05 0.00 -1.14 0.00 0.00 41.12 37.70 2e6p n ASP 38 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2e6p s PHE 39 N -2.23 3.77 0.57 2.11 5.36 -1.25 -5.03 117.98 121.28 2e6p s PHE 39 Ca 0.00 1.81 -0.18 0.00 -0.96 0.00 0.00 56.93 57.60 2e6p s PHE 39 Cb 0.00 -3.10 -0.05 0.00 -0.34 0.00 0.00 43.02 39.53 2e6p s PHE 39 CO 0.00 -0.00 1.12 -1.25 -1.46 0.00 0.00 175.22 173.63 2e6p s PRO 40 N -1.42 3.23 0.04 10.12 0.04 -1.26 -5.04 135.00 140.70 2e6p s PRO 40 Ca 0.44 1.56 -0.28 0.00 0.04 0.00 0.00 61.00 62.75 2e6p s PRO 40 Cb -0.27 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.37 2e6p s PRO 40 CO 0.35 -0.94 1.20 0.00 0.04 0.00 0.00 177.00 177.65 2e6p s ALA 41 N -1.91 -2.08 -0.10 8.56 0.00 -1.26 -4.41 121.76 120.56 2e6p s ALA 41 Ca 0.71 0.42 -0.09 0.00 0.00 0.00 0.00 51.96 53.00 2e6p s ALA 41 Cb -0.23 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.43 2e6p s ALA 41 CO 0.30 -1.06 0.27 0.99 0.00 0.00 0.00 175.76 176.26 2e6p s THR 42 N -2.56 -0.00 -0.10 0.00 2.01 -0.78 -5.02 115.64 109.19 2e6p s THR 42 Ca 0.16 0.02 -0.20 0.00 0.31 0.00 0.00 61.69 61.98 2e6p s THR 42 Cb 0.02 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 2e6p s THR 42 CO -0.01 0.01 0.55 0.26 -0.69 0.00 0.00 174.62 174.73 2e6p s TRP 43 N 0.28 3.53 0.07 4.92 0.52 -1.26 -1.94 118.94 125.07 2e6p s TRP 43 Ca -0.01 1.01 0.08 0.00 0.02 0.00 0.00 56.10 57.20 2e6p s TRP 43 Cb -0.03 -2.64 -0.03 0.00 -1.15 0.00 0.00 33.47 29.62 2e6p s TRP 43 CO -0.01 0.14 -0.21 0.71 0.02 0.00 0.00 176.95 177.60 2e6p s TYR 44 N 0.69 1.86 -0.04 -1.98 2.02 0.07 -2.36 117.35 117.61 2e6p s TYR 44 Ca 0.30 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.64 2e6p s TYR 44 Cb -0.16 -1.06 -0.00 0.00 -0.40 0.00 0.00 41.96 40.34 2e6p s TYR 44 CO 0.13 0.16 -0.14 0.21 -1.57 0.00 0.00 175.55 174.34 2e6p s LYS 45 N -1.55 1.44 0.00 -0.62 2.20 0.76 -0.93 119.74 121.04 2e6p s LYS 45 Ca 0.08 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 2e6p s LYS 45 Cb -0.09 -1.28 0.00 0.00 -1.51 0.00 0.00 37.83 34.95 2e6p s LYS 45 CO 0.03 0.19 0.00 -3.47 -0.36 0.00 0.00 175.35 171.74 2e6p n ASP 46 N 3.21 -0.50 -0.17 1.43 2.03 -0.97 0.24 116.55 121.83 2e6p n ASP 46 Ca -0.18 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.38 2e6p n ASP 46 Cb 0.53 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 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 -0.25 0.93 2.81 0.27 0.00 -1.26 -5.08 105.19 102.61 2e6p n GLY 47 Ca 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 2e6p n GLY 47 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2e6p s GLN 48 N -3.21 -0.02 0.05 1.61 -2.07 0.65 -5.12 119.66 111.56 2e6p s GLN 48 Ca 0.00 0.14 -0.31 0.00 -1.82 0.00 0.00 55.36 53.38 2e6p s GLN 48 Cb 0.00 -0.17 -0.07 0.00 -1.09 0.00 0.00 33.01 31.68 2e6p s GLN 48 CO 0.00 -0.12 1.54 0.21 -1.32 0.00 0.00 175.29 175.60 2e6p s LYS 49 N 0.75 4.24 0.96 9.60 2.20 -1.26 -0.17 119.74 136.05 2e6p s LYS 49 Ca -0.06 2.18 -0.13 0.00 -0.36 0.00 0.00 55.97 57.60 2e6p s LYS 49 Cb -0.09 -3.53 0.16 0.00 -1.51 0.00 0.00 37.83 32.86 2e6p s LYS 49 CO -0.02 -0.65 1.13 0.14 -0.36 0.00 0.00 175.35 175.59 2e6p s VAL 50 N 2.34 1.98 -0.28 4.02 -7.23 -1.00 -4.93 120.40 115.30 2e6p s VAL 50 Ca 0.69 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.85 2e6p s VAL 50 Cb -0.37 -2.67 0.09 0.00 0.56 0.00 0.00 36.38 33.99 2e6p s VAL 50 CO 0.30 0.00 0.07 -1.61 -0.31 0.00 0.00 175.10 173.55 2e6p s GLU 51 N -5.22 0.73 -0.33 4.82 2.02 -1.26 -5.00 118.70 114.47 2e6p s GLU 51 Ca 0.65 -0.88 -0.37 0.00 0.02 0.00 0.00 54.97 54.39 2e6p s GLU 51 Cb -0.15 -2.01 -0.13 0.00 0.10 0.00 0.00 34.13 31.93 2e6p s GLU 51 CO 0.55 -0.88 2.05 0.39 0.02 0.00 0.00 175.26 177.38 2e6p n GLU 52 N 4.91 1.05 -3.09 1.61 1.02 -1.26 -4.70 120.64 120.18 2e6p n GLU 52 Ca -0.05 0.33 -0.09 0.00 -0.02 0.00 0.00 57.16 57.34 2e6p n GLU 52 Cb 0.43 -2.27 -0.01 0.00 -0.02 0.00 0.00 31.44 29.57 2e6p n GLU 52 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2e6p n SER 53 N 8.20 -1.13 -0.02 1.62 2.88 -0.46 -4.96 113.62 119.75 2e6p n SER 53 Ca 0.38 -2.21 0.12 0.00 -1.33 0.00 0.00 58.87 55.82 2e6p n SER 53 Cb 0.18 2.01 0.54 0.00 -0.75 0.00 0.00 64.21 66.18 2e6p n SER 53 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2e6p h GLU 54 N 0.00 0.31 -0.01 -1.46 4.57 -2.03 0.29 114.58 116.25 2e6p h GLU 54 Ca -0.20 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2e6p h GLU 54 Cb 0.81 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2e6p h GLU 54 CO 0.26 0.20 -0.05 1.28 -1.18 0.00 0.00 179.01 179.53 2e6p n LEU 55 N -4.47 1.07 -3.49 1.64 4.77 -1.26 -4.67 117.00 110.59 2e6p n LEU 55 Ca 0.07 -0.33 -0.20 0.00 -0.03 0.00 0.00 56.01 55.52 2e6p n LEU 55 Cb 0.33 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.25 2e6p n LEU 55 CO 0.35 0.18 -0.23 -0.22 -1.33 0.00 0.00 177.39 176.14 2e6p s LEU 56 N -2.13 0.00 -0.14 2.23 0.20 0.10 -4.49 118.68 114.45 2e6p s LEU 56 Ca 0.36 -0.53 -0.06 0.00 0.69 0.00 0.00 54.13 54.60 2e6p s LEU 56 Cb 0.21 0.24 -0.04 0.00 -0.43 0.00 0.00 46.19 46.17 2e6p s LEU 56 CO 0.38 -0.36 0.05 -0.69 -0.29 0.00 0.00 176.35 175.45 2e6p s VAL 57 N 2.28 4.72 -0.19 1.68 1.01 -0.89 -1.35 120.40 127.65 2e6p s VAL 57 Ca 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2e6p s VAL 57 Cb -0.15 -3.07 0.04 0.00 0.00 0.00 0.00 36.38 33.19 2e6p s VAL 57 CO -0.20 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 174.63 2e6p s VAL 58 N -0.20 1.67 -0.01 2.92 1.01 -1.26 -1.03 120.40 123.50 2e6p s VAL 58 Ca 0.07 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 2e6p s VAL 58 Cb -0.12 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2e6p s VAL 58 CO 0.01 0.21 0.20 -0.54 0.00 0.00 0.00 175.10 174.99 2e6p s LYS 59 N 1.39 3.47 -0.28 2.72 -0.14 -1.01 -5.02 119.74 120.86 2e6p s LYS 59 Ca -0.00 -0.27 -0.02 0.00 -1.36 0.00 0.00 55.97 54.31 2e6p s LYS 59 Cb -0.16 -3.09 0.09 0.00 -1.68 0.00 0.00 37.83 32.99 2e6p s LYS 59 CO -0.09 0.67 0.09 1.41 -0.76 0.00 0.00 175.35 176.68 2e6p s MET 60 N -1.90 0.57 -0.93 1.68 -2.45 -1.26 -3.09 119.30 111.91 2e6p s MET 60 Ca 0.27 -0.82 0.00 0.00 -1.25 0.00 0.00 55.69 53.90 2e6p s MET 60 Cb -0.13 -1.80 0.32 0.00 1.25 0.00 0.00 34.83 34.47 2e6p s MET 60 CO 0.18 -0.93 1.57 -3.47 1.05 0.00 0.00 175.02 173.42 2e6p n ASP 61 N 4.99 6.54 0.00 1.11 -0.08 -0.57 -4.97 116.55 123.58 2e6p n ASP 61 Ca -0.04 -3.64 0.00 0.00 -1.51 0.00 0.00 54.79 49.59 2e6p n ASP 61 Cb 0.43 -1.05 0.00 0.00 2.34 0.00 0.00 41.12 42.84 2e6p n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2e6p n GLY 62 N 0.13 1.94 0.65 0.27 0.00 -1.26 -3.23 105.19 103.68 2e6p n GLY 62 Ca 0.40 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.30 2e6p n GLY 62 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2e6p n ARG 63 N 0.00 1.85 -3.99 1.61 1.85 -1.26 -0.03 116.66 116.69 2e6p n ARG 63 Ca 0.00 -1.73 -0.35 0.00 -1.00 0.00 0.00 57.85 54.77 2e6p n ARG 63 Cb 0.00 -1.29 -0.12 0.00 -1.05 0.00 0.00 32.46 30.00 2e6p n ARG 63 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2e6p s LYS 64 N -1.05 3.65 -0.13 2.89 1.02 -1.20 -0.30 119.74 124.62 2e6p s LYS 64 Ca 0.22 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 55.73 2e6p s LYS 64 Cb 0.13 -3.14 0.01 0.00 -0.52 0.00 0.00 37.83 34.30 2e6p s LYS 64 CO 0.18 -0.02 -0.20 -1.01 -0.92 0.00 0.00 175.35 173.38 2e6p s HIS 65 N 1.11 2.41 0.03 3.18 3.76 0.44 -1.51 115.29 124.71 2e6p s HIS 65 Ca 0.03 -1.18 0.04 0.00 -0.15 0.00 0.00 55.06 53.80 2e6p s HIS 65 Cb -0.14 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 31.86 2e6p s HIS 65 CO 0.02 -0.55 -0.11 -0.98 -0.85 0.00 0.00 174.74 172.27 2e6p s ARG 66 N 0.85 0.76 -0.32 1.40 1.70 -1.18 -1.19 118.95 120.98 2e6p s ARG 66 Ca -0.08 -0.62 -0.06 0.00 -0.47 0.00 0.00 55.73 54.50 2e6p s ARG 66 Cb -0.15 -0.71 0.02 0.00 -0.57 0.00 0.00 34.95 33.54 2e6p s ARG 66 CO -0.01 0.17 0.09 -1.17 -1.08 0.00 0.00 175.30 173.30 2e6p s LEU 67 N -0.97 4.06 0.13 -1.89 1.98 -1.26 -2.41 118.68 118.33 2e6p s LEU 67 Ca -0.01 -0.93 -0.02 0.00 -2.89 0.00 0.00 54.13 50.28 2e6p s LEU 67 Cb -0.07 -1.87 -0.05 0.00 0.66 0.00 0.00 46.19 44.87 2e6p s LEU 67 CO 0.01 -0.26 0.33 -0.63 -1.89 0.00 0.00 176.35 173.90 2e6p s ILE 68 N 1.45 5.25 -0.06 6.68 1.01 -0.20 -1.57 121.20 133.76 2e6p s ILE 68 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 2e6p s ILE 68 Cb -0.18 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.66 2e6p s ILE 68 CO 0.02 0.01 0.06 -0.76 0.00 0.00 0.00 174.94 174.28 2e6p s LEU 69 N -2.81 0.16 0.19 2.97 1.43 0.23 -2.09 118.68 118.75 2e6p s LEU 69 Ca 0.38 -0.00 -0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2e6p s LEU 69 Cb -0.12 -0.15 0.10 0.00 0.03 0.00 0.00 46.19 46.05 2e6p s LEU 69 CO 0.27 -0.26 1.54 1.55 0.23 0.00 0.00 176.35 179.67 2e6p h PRO 70 N 8.44 0.71 -3.48 1.29 0.13 -1.82 -2.33 132.00 134.94 2e6p h PRO 70 Ca -0.12 -0.38 -0.57 0.00 -0.87 0.00 0.00 66.00 64.06 2e6p h PRO 70 Cb 1.12 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.87 2e6p h PRO 70 CO 0.17 0.99 -0.76 -2.00 -0.23 0.00 0.00 178.00 176.17 2e6p s GLU 71 N -4.28 0.66 -0.53 0.86 2.12 -1.25 -4.39 118.70 111.89 2e6p s GLU 71 Ca -0.09 -0.92 -0.24 0.00 0.36 0.00 0.00 54.97 54.08 2e6p s GLU 71 Cb 0.12 -1.92 0.04 0.00 0.26 0.00 0.00 34.13 32.63 2e6p s GLU 71 CO 0.85 -0.94 0.93 0.00 -0.54 0.00 0.00 175.26 175.57 2e6p s ALA 72 N 1.70 3.18 0.43 6.30 0.00 -0.57 -4.87 121.76 127.93 2e6p s ALA 72 Ca 0.08 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 50.99 2e6p s ALA 72 Cb -0.17 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.25 2e6p s ALA 72 CO -0.24 -2.30 0.52 0.15 0.00 0.00 0.00 175.76 173.89 2e6p s LYS 73 N 3.89 2.72 0.60 0.00 1.02 -1.26 -0.05 119.74 126.66 2e6p s LYS 73 Ca 0.32 -1.35 0.31 0.00 0.02 0.00 0.00 55.97 55.27 2e6p s LYS 73 Cb -0.12 -2.63 1.79 0.00 -0.52 0.00 0.00 37.83 36.35 2e6p s LYS 73 CO 0.21 -0.27 2.16 0.28 -0.92 0.00 0.00 175.35 176.81 2e6p h VAL 74 N 0.74 0.40 -0.01 3.17 2.07 -1.96 0.26 116.25 120.93 2e6p h VAL 74 Ca -0.40 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 66.96 2e6p h VAL 74 Cb 1.28 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2e6p h VAL 74 CO 0.49 0.00 -0.76 1.56 0.02 0.00 0.00 177.57 178.87 2e6p h GLN 75 N 0.00 0.06 0.00 1.57 4.20 -1.94 -3.03 115.11 115.98 2e6p h GLN 75 Ca 0.05 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2e6p h GLN 75 Cb 0.31 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2e6p h GLN 75 CO -0.00 0.79 -0.07 -0.44 -0.67 0.00 0.00 178.83 178.44 2e6p h ASP 76 N 0.04 0.00 -2.11 1.46 5.19 -1.32 -3.43 116.42 116.25 2e6p h ASP 76 Ca -0.02 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.82 2e6p h ASP 76 Cb 1.34 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.86 2e6p h ASP 76 CO 0.10 0.07 1.36 -1.54 -3.12 0.00 0.00 179.24 176.11 2e6p n SER 77 N -3.17 3.62 0.00 6.45 3.41 -1.15 -4.81 113.62 117.97 2e6p n SER 77 Ca 0.01 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2e6p n SER 77 Cb 0.37 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.80 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 5.20 -0.55 3.50 5.00 0.00 -0.67 -4.90 105.19 112.76 2e6p n GLY 78 Ca 0.26 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.29 2.94 0.09 1.61 2.56 -1.26 -0.36 118.70 123.99 2e6p s GLU 79 Ca 0.00 -0.61 0.05 0.00 0.00 0.00 0.00 54.97 54.41 2e6p s GLU 79 Cb 0.00 -2.59 -0.04 0.00 2.00 0.00 0.00 34.13 33.50 2e6p s GLU 79 CO 0.00 0.51 0.01 -0.06 -0.56 0.00 0.00 175.26 175.15 2e6p s PHE 80 N -0.40 3.00 -0.07 5.30 0.40 -0.48 -2.29 117.98 123.44 2e6p s PHE 80 Ca 0.05 -0.02 -0.03 0.00 -0.60 0.00 0.00 56.93 56.33 2e6p s PHE 80 Cb -0.12 -1.54 0.04 0.00 0.51 0.00 0.00 43.02 41.90 2e6p s PHE 80 CO 0.02 0.48 0.15 -2.00 0.70 0.00 0.00 175.22 174.58 2e6p s GLU 81 N -2.32 0.10 -1.09 0.44 2.12 -0.11 -1.28 118.70 116.57 2e6p s GLU 81 Ca 0.26 0.38 -0.06 0.00 0.36 0.00 0.00 54.97 55.91 2e6p s GLU 81 Cb -0.12 -0.17 0.30 0.00 0.26 0.00 0.00 34.13 34.40 2e6p s GLU 81 CO 0.19 -0.16 1.32 0.00 -0.54 0.00 0.00 175.26 176.07 2e6p n ARG 83 N 1.85 2.53 -3.94 0.00 1.74 -0.82 -4.13 116.66 113.89 2e6p n ARG 83 Ca 0.25 0.89 -0.09 0.00 -0.77 0.00 0.00 57.85 58.13 2e6p n ARG 83 Cb 0.36 -2.59 -0.05 0.00 -1.02 0.00 0.00 32.46 29.16 2e6p n ARG 83 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2e6p s THR 84 N -0.88 0.01 -0.70 0.55 -1.32 -1.08 -1.87 115.64 110.35 2e6p s THR 84 Ca 0.56 -1.26 -0.25 0.00 -1.21 0.00 0.00 61.69 59.53 2e6p s THR 84 Cb -0.51 -2.06 -0.21 0.00 -1.51 0.00 0.00 72.50 68.21 2e6p s THR 84 CO 0.60 -0.04 1.86 1.21 -2.21 0.00 0.00 174.62 176.05 2e6p n GLU 85 N -0.37 0.94 0.00 7.08 2.13 -1.26 -3.58 120.64 125.58 2e6p n GLU 85 Ca -0.04 -1.74 0.00 0.00 0.66 0.00 0.00 57.16 56.05 2e6p n GLU 85 Cb 0.62 -3.12 0.00 0.00 0.27 0.00 0.00 31.44 29.21 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 5.13 -0.53 3.22 8.31 0.00 -1.26 -4.29 105.19 115.77 2e6p n GLY 86 Ca 0.47 0.28 -0.21 0.00 0.00 0.00 0.00 46.02 46.56 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 -3.92 1.61 0.24 -1.23 -5.05 118.33 109.98 2e6p n VAL 87 Ca 0.00 -2.41 -0.09 0.00 -2.04 0.00 0.00 64.34 59.81 2e6p n VAL 87 Cb 0.00 1.12 -0.08 0.00 -1.47 0.00 0.00 33.84 33.41 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 -3.36 0.21 0.39 -1.34 0.01 -1.26 -2.63 113.70 105.71 2e6p s SER 88 Ca 0.35 -0.69 0.08 0.00 1.31 0.00 0.00 55.95 56.99 2e6p s SER 88 Cb 0.02 0.29 -0.04 0.00 0.21 0.00 0.00 66.02 66.49 2e6p s SER 88 CO 0.25 -0.66 0.19 0.00 0.41 0.00 0.00 173.24 173.43 2e6p s ALA 89 N -3.62 3.61 -0.05 1.44 0.00 -1.26 -4.93 121.76 116.94 2e6p s ALA 89 Ca 0.03 -1.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.00 2e6p s ALA 89 Cb 0.04 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.61 2e6p s ALA 89 CO -0.09 -0.10 0.02 -0.06 0.00 0.00 0.00 175.76 175.53 2e6p s PHE 90 N -2.52 0.37 -0.21 0.00 0.40 -1.26 -3.50 117.98 111.26 2e6p s PHE 90 Ca 0.41 0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.77 2e6p s PHE 90 Cb 0.01 -0.59 0.04 0.00 0.51 0.00 0.00 43.02 42.99 2e6p s PHE 90 CO 0.23 -0.23 -0.12 -0.06 0.70 0.00 0.00 175.22 175.75 2e6p s PHE 91 N 1.80 2.63 -0.50 0.36 0.40 -0.40 -2.13 117.98 120.14 2e6p s PHE 91 Ca 0.01 -1.75 -0.27 0.00 -0.60 0.00 0.00 56.93 54.32 2e6p s PHE 91 Cb -0.12 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.70 2e6p s PHE 91 CO -0.04 -0.78 1.06 0.20 0.70 0.00 0.00 175.22 176.36 2e6p s GLY 92 N 1.32 1.34 0.03 4.36 0.00 0.13 -1.39 107.32 113.12 2e6p s GLY 92 Ca -0.02 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 44.03 2e6p s GLY 92 CO -0.08 2.27 -0.06 0.14 0.00 0.00 0.00 173.10 175.37 2e6p s VAL 93 N 4.25 3.68 -0.00 1.40 1.01 0.51 0.37 120.40 131.63 2e6p s VAL 93 Ca 0.42 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2e6p s VAL 93 Cb -0.09 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.65 2e6p s VAL 93 CO 0.28 0.30 -0.01 -0.89 0.00 0.00 0.00 175.10 174.78 2e6p s THR 94 N -1.09 0.09 -0.35 3.92 2.01 -1.19 -1.67 115.64 117.37 2e6p s THR 94 Ca 0.19 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.20 2e6p s THR 94 Cb -0.11 -0.10 0.10 0.00 0.01 0.00 0.00 72.50 72.40 2e6p s THR 94 CO 0.10 0.04 0.08 -0.69 -0.69 0.00 0.00 174.62 173.46 2e6p s VAL 95 N 0.13 1.95 -0.12 3.82 1.01 -1.26 -0.10 120.40 125.83 2e6p s VAL 95 Ca -0.01 -2.19 -0.14 0.00 0.00 0.00 0.00 61.98 59.64 2e6p s VAL 95 Cb -0.02 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 2e6p s VAL 95 CO -0.00 -0.64 0.33 -1.10 0.00 0.00 0.00 175.10 173.69 2e6p s GLN 96 N 0.98 4.14 0.09 2.72 -0.21 -0.09 -4.49 119.66 122.81 2e6p s GLN 96 Ca 0.11 0.20 -0.30 0.00 0.02 0.00 0.00 55.36 55.39 2e6p s GLN 96 Cb -0.19 -3.37 -0.06 0.00 1.00 0.00 0.00 33.01 30.39 2e6p s GLN 96 CO -0.11 0.35 1.15 0.16 -2.12 0.00 0.00 175.29 174.72 2e6p s ASP 97 N 0.08 7.15 -0.56 5.90 -4.77 -1.26 -1.45 116.67 121.77 2e6p s ASP 97 Ca 0.19 2.00 -0.27 0.00 -3.30 0.00 0.00 52.55 51.18 2e6p s ASP 97 Cb -0.14 -2.58 -0.02 0.00 -1.09 0.00 0.00 42.92 39.09 2e6p s ASP 97 CO 0.07 -0.38 1.83 -2.16 0.70 0.00 0.00 175.17 175.23 2e6p s PRO 98 N 0.66 2.77 -0.21 2.11 0.04 -1.26 -4.92 135.00 134.19 2e6p s PRO 98 Ca 0.55 0.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.24 2e6p s PRO 98 Cb -0.29 -4.34 -0.05 0.00 0.04 0.00 0.00 34.50 29.86 2e6p s PRO 98 CO 0.31 -2.56 0.12 -1.12 0.04 0.00 0.00 177.00 173.79 2e6p s SER 99 N 7.63 5.98 0.00 6.66 0.01 -1.26 -5.00 113.70 127.72 2e6p s SER 99 Ca 0.69 0.14 0.00 0.00 1.31 0.00 0.00 55.95 58.09 2e6p s SER 99 Cb -0.14 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2e6p s SER 99 CO 0.23 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.63 2e6p n GLY 100 N 3.78 3.27 0.00 3.44 0.00 -1.26 -4.80 105.19 109.62 2e6p n GLY 100 Ca -0.16 -1.93 0.06 0.00 0.00 0.00 0.00 46.02 43.99 2e6p n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e6p n PRO 101 N -1.21 0.49 -0.28 1.61 -0.04 -1.26 -4.00 135.00 130.30 2e6p n PRO 101 Ca 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.63 2e6p n PRO 101 Cb 0.00 -1.36 0.33 0.00 -0.04 0.00 0.00 33.50 32.43 2e6p n PRO 101 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2e6p n SER 102 N -0.86 0.03 -4.65 3.54 3.41 -1.26 -4.34 113.62 109.50 2e6p n SER 102 Ca 0.08 1.40 -0.24 0.00 -0.26 0.00 0.00 58.87 59.85 2e6p n SER 102 Cb 0.04 -0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 63.35 2e6p n SER 102 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2e6p s SER 103 N -4.87 4.58 0.00 4.04 0.15 -1.26 -5.23 113.70 111.11 2e6p s SER 103 Ca -0.10 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2e6p s SER 103 Cb 0.26 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 2e6p s SER 103 CO 0.65 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.73