#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 6.21 0.29 1.61 1.04 -1.26 -5.02 113.70 116.56 2e6p s SER 2 Ca 0.00 -2.64 0.04 0.00 0.48 0.00 0.00 55.95 53.83 2e6p s SER 2 Cb 0.00 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 63.99 2e6p s SER 2 CO 0.00 -0.54 0.21 -0.94 0.98 0.00 0.00 173.24 172.96 2e6p s SER 3 N 1.84 1.22 -0.62 7.02 1.04 -1.26 -5.11 113.70 117.83 2e6p s SER 3 Ca 0.16 -1.62 0.06 0.00 0.48 0.00 0.00 55.95 55.03 2e6p s SER 3 Cb -0.15 0.48 0.21 0.00 0.10 0.00 0.00 66.02 66.66 2e6p s SER 3 CO -0.06 -0.97 0.60 0.61 0.98 0.00 0.00 173.24 174.40 2e6p n GLY 4 N -0.52 4.11 3.75 7.32 0.00 -1.26 -5.10 105.19 113.49 2e6p n GLY 4 Ca 0.05 -2.46 -0.32 0.00 0.00 0.00 0.00 46.02 43.29 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 -1.78 4.34 0.50 1.61 0.01 -1.26 -4.98 113.70 112.14 2e6p s SER 5 Ca 0.34 1.98 -0.22 0.00 1.31 0.00 0.00 55.95 59.36 2e6p s SER 5 Cb 0.07 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.70 2e6p s SER 5 CO -0.09 -2.15 1.16 -0.55 0.41 0.00 0.00 173.24 172.02 2e6p s SER 6 N -2.95 5.94 0.01 2.44 0.15 -1.26 -4.77 113.70 113.27 2e6p s SER 6 Ca 0.65 2.28 0.00 0.00 0.70 0.00 0.00 55.95 59.58 2e6p s SER 6 Cb -0.20 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 2e6p s SER 6 CO 0.52 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 174.50 2e6p n GLY 7 N 0.36 -3.66 0.06 9.45 0.00 -1.26 -4.94 105.19 105.19 2e6p n GLY 7 Ca 0.09 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 0.14 -0.01 -1.97 1.61 0.13 -2.02 -3.46 132.00 126.42 2e6p h PRO 8 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.17 2e6p h PRO 8 Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 2e6p h PRO 8 CO 0.00 0.47 -0.01 0.54 -0.23 0.00 0.00 178.00 178.77 2e6p s VAL 9 N -4.25 -0.31 0.28 1.56 0.11 -1.26 -4.92 120.40 111.61 2e6p s VAL 9 Ca -0.16 0.00 0.12 0.00 -2.93 0.00 0.00 61.98 59.01 2e6p s VAL 9 Cb 0.02 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.82 2e6p s VAL 9 CO 0.67 0.00 -0.19 -1.38 -3.33 0.00 0.00 175.10 170.87 2e6p s HIS 10 N 2.03 2.30 0.21 1.54 -3.43 -1.26 -4.59 115.29 112.09 2e6p s HIS 10 Ca -0.09 -0.34 -0.21 0.00 -0.80 0.00 0.00 55.06 53.62 2e6p s HIS 10 Cb -0.07 -1.01 -0.08 0.00 -1.43 0.00 0.00 32.58 29.98 2e6p s HIS 10 CO -0.20 0.71 0.74 0.42 -2.00 0.00 0.00 174.74 174.42 2e6p s ILE 11 N -2.51 4.51 -0.11 -5.38 1.01 -1.26 -2.28 121.20 115.18 2e6p s ILE 11 Ca 0.30 1.41 0.06 0.00 0.00 0.00 0.00 60.65 62.43 2e6p s ILE 11 Cb -0.05 -3.94 -0.11 0.00 0.01 0.00 0.00 42.46 38.38 2e6p s ILE 11 CO 0.15 0.30 -0.01 0.18 0.00 0.00 0.00 174.94 175.56 2e6p n LEU 12 N 0.97 0.95 -3.73 2.97 4.77 -1.20 -4.99 117.00 116.73 2e6p n LEU 12 Ca -0.03 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 2e6p n LEU 12 Cb 0.50 0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.50 2e6p n LEU 12 CO 0.44 0.40 -0.09 -0.94 -1.33 0.00 0.00 177.39 175.87 2e6p s SER 13 N -4.55 -0.30 1.04 -1.43 1.04 -1.26 -4.23 113.70 104.00 2e6p s SER 13 Ca -0.09 0.58 -0.03 0.00 0.48 0.00 0.00 55.95 56.89 2e6p s SER 13 Cb 0.03 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.69 2e6p s SER 13 CO 0.37 -0.16 0.16 -0.81 0.98 0.00 0.00 173.24 173.79 2e6p n PRO 14 N 3.99 -1.34 -0.09 4.02 -0.04 -1.26 0.17 135.00 140.44 2e6p n PRO 14 Ca -0.23 -0.26 -0.11 0.00 -0.04 0.00 0.00 63.50 62.86 2e6p n PRO 14 Cb 0.54 -0.25 -0.11 0.00 -0.04 0.00 0.00 33.50 33.64 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 -2.01 0.94 -3.92 0.54 6.02 -1.26 -4.96 117.38 112.72 2e6p n GLN 15 Ca 0.02 0.06 -0.09 0.00 -0.01 0.00 0.00 57.00 56.98 2e6p n GLN 15 Cb 0.09 -1.42 -0.07 0.00 1.02 0.00 0.00 30.24 29.86 2e6p n GLN 15 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2e6p s ASP 16 N -5.51 0.13 -0.02 1.08 1.01 -1.26 -5.10 116.67 107.00 2e6p s ASP 16 Ca -0.18 -0.78 -0.29 0.00 0.71 0.00 0.00 52.55 52.01 2e6p s ASP 16 Cb 0.06 0.36 -0.15 0.00 1.01 0.00 0.00 42.92 44.20 2e6p s ASP 16 CO 0.58 -0.77 0.80 1.17 0.21 0.00 0.00 175.17 177.15 2e6p n LYS 17 N -0.10 0.00 -3.65 8.23 4.81 -1.26 -4.94 118.16 121.25 2e6p n LYS 17 Ca -0.12 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.10 2e6p n LYS 17 Cb 0.63 -1.09 -0.03 0.00 0.02 0.00 0.00 35.03 34.55 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 0.10 2.51 -0.18 3.15 -7.23 -1.19 -5.02 120.40 112.54 2e6p s VAL 18 Ca 0.67 -1.39 -0.04 0.00 -1.81 0.00 0.00 61.98 59.41 2e6p s VAL 18 Cb -0.93 -2.90 0.08 0.00 0.56 0.00 0.00 36.38 33.19 2e6p s VAL 18 CO 0.42 0.00 0.24 -0.94 -0.31 0.00 0.00 175.10 174.51 2e6p s SER 19 N -4.13 0.99 0.10 4.85 1.04 -1.26 -2.32 113.70 112.97 2e6p s SER 19 Ca 0.46 0.06 0.08 0.00 0.48 0.00 0.00 55.95 57.03 2e6p s SER 19 Cb -0.02 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 2e6p s SER 19 CO 0.27 -0.30 -0.20 -0.76 0.98 0.00 0.00 173.24 173.23 2e6p s LEU 20 N 2.36 2.29 0.03 2.42 1.43 -0.19 -5.01 118.68 122.01 2e6p s LEU 20 Ca 0.06 -0.67 0.05 0.00 -1.03 0.00 0.00 54.13 52.53 2e6p s LEU 20 Cb -0.14 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 2e6p s LEU 20 CO -0.11 0.05 -0.14 -0.89 0.23 0.00 0.00 176.35 175.49 2e6p s THR 21 N -1.16 1.09 0.22 5.49 2.01 -1.26 -1.62 115.64 120.40 2e6p s THR 21 Ca 0.05 -0.91 -0.08 0.00 0.31 0.00 0.00 61.69 61.06 2e6p s THR 21 Cb -0.10 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 2e6p s THR 21 CO 0.04 0.05 0.32 -0.36 -0.69 0.00 0.00 174.62 173.98 2e6p s PHE 22 N -0.75 0.66 0.14 4.92 0.08 -0.09 -4.95 117.98 117.99 2e6p s PHE 22 Ca 0.02 -0.97 0.04 0.00 0.12 0.00 0.00 56.93 56.14 2e6p s PHE 22 Cb -0.07 -0.13 -0.04 0.00 -0.57 0.00 0.00 43.02 42.21 2e6p s PHE 22 CO 0.01 -0.82 0.14 0.99 -0.10 0.00 0.00 175.22 175.43 2e6p s THR 23 N -4.06 4.59 0.55 0.64 2.01 -1.26 -0.90 115.64 117.21 2e6p s THR 23 Ca 0.28 -0.95 -0.20 0.00 0.31 0.00 0.00 61.69 61.12 2e6p s THR 23 Cb 0.03 -3.31 -0.06 0.00 0.01 0.00 0.00 72.50 69.17 2e6p s THR 23 CO 0.09 -0.04 0.99 0.41 -0.69 0.00 0.00 174.62 175.38 2e6p n THR 24 N -0.14 3.31 -3.40 -0.82 -1.04 -0.74 -2.96 114.28 108.50 2e6p n THR 24 Ca -0.08 -0.50 -0.17 0.00 -2.04 0.00 0.00 64.05 61.25 2e6p n THR 24 Cb 0.54 -1.18 0.08 0.00 -1.82 0.00 0.00 70.33 67.95 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 -0.40 -2.87 -4.35 8.00 3.41 -0.97 -4.89 113.62 111.55 2e6p n SER 25 Ca 0.12 -0.57 -0.18 0.00 -0.26 0.00 0.00 58.87 57.98 2e6p n SER 25 Cb 0.45 -4.88 -0.10 0.00 -0.26 0.00 0.00 64.21 59.42 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 -5.49 1.45 -0.32 4.33 0.41 -1.15 -4.80 118.70 113.13 2e6p s GLU 26 Ca 0.11 -1.78 -0.14 0.00 -0.41 0.00 0.00 54.97 52.76 2e6p s GLU 26 Cb -0.05 -0.46 -0.02 0.00 -1.78 0.00 0.00 34.13 31.82 2e6p s GLU 26 CO 0.69 -0.24 0.30 0.50 -0.49 0.00 0.00 175.26 176.02 2e6p s ARG 27 N -3.97 3.69 -0.14 1.61 3.52 -1.26 -0.52 118.95 121.88 2e6p s ARG 27 Ca 0.36 -0.39 -0.00 0.00 -0.13 0.00 0.00 55.73 55.56 2e6p s ARG 27 Cb 0.08 -3.76 -0.01 0.00 -1.56 0.00 0.00 34.95 29.70 2e6p s ARG 27 CO 0.13 -0.40 -0.13 0.08 -0.81 0.00 0.00 175.30 174.17 2e6p s VAL 28 N 1.89 3.02 -0.08 7.11 1.01 -0.99 -4.96 120.40 127.40 2e6p s VAL 28 Ca 0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2e6p s VAL 28 Cb -0.17 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 33.97 2e6p s VAL 28 CO 0.11 0.52 0.00 -0.69 0.00 0.00 0.00 175.10 175.04 2e6p s VAL 29 N 0.50 0.42 0.45 2.92 1.01 -1.26 0.27 120.40 124.70 2e6p s VAL 29 Ca -0.09 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 2e6p s VAL 29 Cb -0.16 -0.59 0.10 0.00 0.00 0.00 0.00 36.38 35.73 2e6p s VAL 29 CO 0.04 0.23 0.62 0.18 0.00 0.00 0.00 175.10 176.17 2e6p n LEU 30 N 5.13 0.00 -3.67 3.92 4.77 0.27 -4.92 117.00 122.50 2e6p n LEU 30 Ca -0.07 -0.91 -0.12 0.00 -0.03 0.00 0.00 56.01 54.88 2e6p n LEU 30 Cb 0.50 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2e6p n LEU 30 CO 0.11 -0.89 0.28 -0.89 -1.33 0.00 0.00 177.39 174.67 2e6p s THR 31 N -2.07 -0.00 -0.08 -5.08 2.01 -1.26 -3.97 115.64 105.19 2e6p s THR 31 Ca 0.37 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 62.20 2e6p s THR 31 Cb -0.01 -0.85 0.04 0.00 0.01 0.00 0.00 72.50 71.69 2e6p s THR 31 CO 0.25 0.00 0.43 0.00 -0.69 0.00 0.00 174.62 174.62 2e6p s GLU 33 N -0.73 1.47 0.31 0.00 2.12 0.13 -0.63 118.70 121.36 2e6p s GLU 33 Ca -0.08 -1.56 0.03 0.00 0.36 0.00 0.00 54.97 53.72 2e6p s GLU 33 Cb -0.03 -1.59 -0.04 0.00 0.26 0.00 0.00 34.13 32.72 2e6p s GLU 33 CO 0.04 0.32 0.13 -0.51 -0.54 0.00 0.00 175.26 174.70 2e6p s LEU 34 N -2.95 1.77 -0.29 2.70 1.43 -0.93 -3.24 118.68 117.16 2e6p s LEU 34 Ca 0.22 -1.53 0.11 0.00 -1.03 0.00 0.00 54.13 51.90 2e6p s LEU 34 Cb -0.06 0.06 0.63 0.00 0.03 0.00 0.00 46.19 46.86 2e6p s LEU 34 CO 0.10 -0.84 1.64 -1.20 0.23 0.00 0.00 176.35 176.28 2e6p n SER 35 N -0.88 3.98 -3.70 2.29 7.64 -0.96 -4.79 113.62 117.20 2e6p n SER 35 Ca -0.00 -3.33 -0.11 0.00 1.01 0.00 0.00 58.87 56.44 2e6p n SER 35 Cb 0.65 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 63.07 2e6p n SER 35 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2e6p s ARG 36 N -3.04 0.46 0.39 1.43 0.52 -1.26 -4.85 118.95 112.60 2e6p s ARG 36 Ca 0.50 0.79 -0.18 0.00 -0.52 0.00 0.00 55.73 56.32 2e6p s ARG 36 Cb 0.41 0.06 -0.10 0.00 0.52 0.00 0.00 34.95 35.85 2e6p s ARG 36 CO 0.09 -0.13 0.86 0.08 0.02 0.00 0.00 175.30 176.21 2e6p s VAL 37 N 1.12 4.53 -1.54 3.52 1.01 -1.26 -3.99 120.40 123.79 2e6p s VAL 37 Ca -0.07 1.23 -0.07 0.00 0.00 0.00 0.00 61.98 63.06 2e6p s VAL 37 Cb -0.07 -3.61 0.06 0.00 0.00 0.00 0.00 36.38 32.76 2e6p s VAL 37 CO -0.10 -0.29 0.50 0.47 0.00 0.00 0.00 175.10 175.68 2e6p n ASP 38 N -0.59 -1.25 -4.86 3.32 8.00 -1.19 -4.93 116.55 115.04 2e6p n ASP 38 Ca 0.05 -1.05 -0.37 0.00 0.71 0.00 0.00 54.79 54.14 2e6p n ASP 38 Cb 0.54 -2.75 -0.06 0.00 -0.02 0.00 0.00 41.12 38.83 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 -3.76 3.57 0.45 1.24 5.36 -1.26 -5.08 117.98 118.50 2e6p s PHE 39 Ca 0.28 0.50 -0.23 0.00 -0.96 0.00 0.00 56.93 56.52 2e6p s PHE 39 Cb -0.15 -1.95 -0.07 0.00 -0.34 0.00 0.00 43.02 40.50 2e6p s PHE 39 CO 0.92 0.70 1.17 -1.25 -1.46 0.00 0.00 175.22 175.29 2e6p s PRO 40 N -0.92 3.79 0.11 10.12 0.04 -1.26 -5.04 135.00 141.83 2e6p s PRO 40 Ca 0.14 1.78 -0.26 0.00 0.04 0.00 0.00 61.00 62.71 2e6p s PRO 40 Cb -0.12 -2.44 0.08 0.00 0.04 0.00 0.00 34.50 32.06 2e6p s PRO 40 CO 0.03 -0.53 0.84 0.00 0.04 0.00 0.00 177.00 177.39 2e6p s ALA 41 N -1.53 -1.66 -0.07 8.56 0.00 -1.26 -4.57 121.76 121.22 2e6p s ALA 41 Ca 0.63 0.49 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 2e6p s ALA 41 Cb -0.29 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.47 2e6p s ALA 41 CO 0.35 -0.86 0.27 0.99 0.00 0.00 0.00 175.76 176.51 2e6p s THR 42 N -3.37 0.03 0.26 0.00 2.01 0.52 -5.00 115.64 110.09 2e6p s THR 42 Ca 0.07 -0.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.81 2e6p s THR 42 Cb -0.02 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.99 2e6p s THR 42 CO -0.04 -0.12 0.52 0.26 -0.69 0.00 0.00 174.62 174.55 2e6p s TRP 43 N -0.44 3.47 -0.08 4.92 0.52 -1.26 -1.17 118.94 124.90 2e6p s TRP 43 Ca -0.06 0.62 -0.05 0.00 0.02 0.00 0.00 56.10 56.63 2e6p s TRP 43 Cb -0.04 -2.08 0.03 0.00 -1.15 0.00 0.00 33.47 30.24 2e6p s TRP 43 CO 0.02 0.23 0.19 0.71 0.02 0.00 0.00 176.95 178.11 2e6p s TYR 44 N -2.00 -0.22 -0.14 -1.98 1.51 0.46 -2.77 117.35 112.21 2e6p s TYR 44 Ca 0.43 0.55 0.01 0.00 -1.01 0.00 0.00 57.07 57.05 2e6p s TYR 44 Cb -0.11 0.02 -0.01 0.00 -0.11 0.00 0.00 41.96 41.76 2e6p s TYR 44 CO 0.29 -0.15 -0.16 0.21 -1.11 0.00 0.00 175.55 174.63 2e6p s LYS 45 N 0.67 3.25 -1.55 -0.62 2.20 -0.64 -0.26 119.74 122.79 2e6p s LYS 45 Ca -0.05 -0.75 -0.13 0.00 -0.36 0.00 0.00 55.97 54.68 2e6p s LYS 45 Cb -0.06 -2.58 0.09 0.00 -1.51 0.00 0.00 37.83 33.77 2e6p s LYS 45 CO -0.04 0.11 0.92 -3.47 -0.36 0.00 0.00 175.35 172.51 2e6p n ASP 46 N 3.79 -4.19 -3.15 1.43 2.03 -1.10 -1.00 116.55 114.36 2e6p n ASP 46 Ca -0.19 -0.83 -0.21 0.00 0.52 0.00 0.00 54.79 54.09 2e6p n ASP 46 Cb 0.52 -3.68 0.07 0.00 -0.72 0.00 0.00 41.12 37.31 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 -1.65 -0.35 3.10 0.27 0.00 -1.26 -5.00 105.19 100.30 2e6p n GLY 47 Ca 0.02 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -6.10 0.22 0.26 1.61 -0.21 -0.17 -5.13 119.66 110.13 2e6p s GLN 48 Ca 0.49 0.85 -0.21 0.00 0.02 0.00 0.00 55.36 56.51 2e6p s GLN 48 Cb -0.22 0.09 -0.14 0.00 1.00 0.00 0.00 33.01 33.74 2e6p s GLN 48 CO 0.61 -0.28 0.27 1.17 -2.12 0.00 0.00 175.29 174.93 2e6p n LYS 49 N 5.37 0.00 -3.23 2.91 4.81 -1.26 -1.62 118.16 125.13 2e6p n LYS 49 Ca -0.07 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.03 2e6p n LYS 49 Cb 0.50 -0.86 -0.06 0.00 0.02 0.00 0.00 35.03 34.62 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 -1.15 4.74 -0.56 3.15 -7.23 -1.12 -4.70 120.40 113.54 2e6p s VAL 50 Ca 0.53 0.93 -0.18 0.00 -1.81 0.00 0.00 61.98 61.46 2e6p s VAL 50 Cb -0.68 -3.72 0.10 0.00 0.56 0.00 0.00 36.38 32.64 2e6p s VAL 50 CO 0.51 0.07 0.63 -1.61 -0.31 0.00 0.00 175.10 174.39 2e6p s GLU 51 N -2.37 3.03 -0.13 4.82 2.02 -1.26 -5.00 118.70 119.82 2e6p s GLU 51 Ca 0.45 -1.37 -0.30 0.00 0.02 0.00 0.00 54.97 53.77 2e6p s GLU 51 Cb -0.14 -4.25 -0.08 0.00 0.10 0.00 0.00 34.13 29.77 2e6p s GLU 51 CO 0.20 -1.43 2.10 0.39 0.02 0.00 0.00 175.26 176.53 2e6p n GLU 52 N 6.00 2.24 -3.82 1.61 1.02 -1.26 -4.63 120.64 121.79 2e6p n GLU 52 Ca -0.10 0.73 -0.08 0.00 -0.02 0.00 0.00 57.16 57.69 2e6p n GLU 52 Cb 0.42 -3.04 0.01 0.00 -0.02 0.00 0.00 31.44 28.81 2e6p n GLU 52 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2e6p s SER 53 N 6.47 -0.06 0.33 1.62 1.04 -1.00 -4.97 113.70 117.13 2e6p s SER 53 Ca 0.97 -0.95 0.10 0.00 0.48 0.00 0.00 55.95 56.54 2e6p s SER 53 Cb -0.45 0.77 0.89 0.00 0.10 0.00 0.00 66.02 67.34 2e6p s SER 53 CO 0.40 -1.51 1.75 1.05 0.98 0.00 0.00 173.24 175.91 2e6p h GLU 54 N 2.00 0.58 0.00 4.02 4.11 -2.02 0.82 114.58 124.10 2e6p h GLU 54 Ca -0.29 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.08 2e6p h GLU 54 Cb 1.25 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2e6p h GLU 54 CO 0.36 0.39 -0.14 -0.07 0.07 0.00 0.00 179.01 179.62 2e6p h LEU 55 N 0.60 0.00 -7.42 3.06 3.38 -1.95 -3.40 115.31 109.58 2e6p h LEU 55 Ca 0.61 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 58.00 2e6p h LEU 55 Cb 1.17 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.53 2e6p h LEU 55 CO -0.41 0.14 -0.77 -0.22 0.09 0.00 0.00 178.44 177.27 2e6p s LEU 56 N -6.70 2.34 -0.22 1.67 0.20 0.29 -4.35 118.68 111.91 2e6p s LEU 56 Ca -0.00 -1.31 -0.09 0.00 0.69 0.00 0.00 54.13 53.42 2e6p s LEU 56 Cb 0.11 -0.99 -0.04 0.00 -0.43 0.00 0.00 46.19 44.83 2e6p s LEU 56 CO 0.59 -0.32 0.12 -0.69 -0.29 0.00 0.00 176.35 175.76 2e6p s VAL 57 N 1.52 5.04 -0.22 1.68 1.01 -0.75 -2.37 120.40 126.31 2e6p s VAL 57 Ca 0.01 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 2e6p s VAL 57 Cb -0.18 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 2e6p s VAL 57 CO -0.12 0.38 -0.06 -0.69 0.00 0.00 0.00 175.10 174.61 2e6p s VAL 58 N 0.93 3.24 0.06 2.92 1.01 -1.26 -0.55 120.40 126.75 2e6p s VAL 58 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2e6p s VAL 58 Cb -0.13 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2e6p s VAL 58 CO 0.03 0.44 0.20 -0.54 0.00 0.00 0.00 175.10 175.23 2e6p s LYS 59 N 1.45 3.39 -0.18 2.72 -0.14 -0.66 -5.02 119.74 121.30 2e6p s LYS 59 Ca 0.06 -0.47 -0.05 0.00 -1.36 0.00 0.00 55.97 54.15 2e6p s LYS 59 Cb -0.14 -3.01 0.06 0.00 -1.68 0.00 0.00 37.83 33.06 2e6p s LYS 59 CO -0.04 0.60 0.09 1.41 -0.76 0.00 0.00 175.35 176.65 2e6p s MET 60 N -2.52 0.13 -0.31 1.68 -2.45 -1.26 -3.49 119.30 111.07 2e6p s MET 60 Ca 0.34 -0.15 -0.00 0.00 -1.25 0.00 0.00 55.69 54.64 2e6p s MET 60 Cb -0.13 -1.81 0.10 0.00 1.25 0.00 0.00 34.83 34.24 2e6p s MET 60 CO 0.27 -0.69 0.08 -0.51 1.05 0.00 0.00 175.02 175.22 2e6p s ASP 61 N 2.11 4.10 0.38 1.11 1.11 -0.21 -5.03 116.67 120.24 2e6p s ASP 61 Ca 0.02 -1.67 0.00 0.00 0.18 0.00 0.00 52.55 51.08 2e6p s ASP 61 Cb -0.16 -0.99 0.00 0.00 1.07 0.00 0.00 42.92 42.84 2e6p s ASP 61 CO -0.11 -0.40 0.00 0.61 1.18 0.00 0.00 175.17 176.45 2e6p n GLY 62 N 4.75 2.02 2.56 0.21 0.00 -1.26 0.16 105.19 113.63 2e6p n GLY 62 Ca -0.02 0.48 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 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 4.62 2.58 -3.62 1.61 1.74 -1.26 -3.20 116.66 119.13 2e6p n ARG 63 Ca 0.00 -3.07 -0.10 0.00 -0.77 0.00 0.00 57.85 53.92 2e6p n ARG 63 Cb 0.00 -2.19 -0.10 0.00 -1.02 0.00 0.00 32.46 29.15 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 0.29 -0.24 5.56 1.02 0.12 -2.19 119.74 120.89 2e6p s LYS 64 Ca 0.55 0.91 0.01 0.00 0.02 0.00 0.00 55.97 57.46 2e6p s LYS 64 Cb 0.43 0.15 0.06 0.00 -0.52 0.00 0.00 37.83 37.95 2e6p s LYS 64 CO -0.21 -0.31 -0.05 -1.01 -0.92 0.00 0.00 175.35 172.84 2e6p s HIS 65 N 2.56 2.44 0.16 3.18 3.76 0.20 -1.04 115.29 126.55 2e6p s HIS 65 Ca 0.01 -1.80 0.11 0.00 -0.15 0.00 0.00 55.06 53.22 2e6p s HIS 65 Cb -0.12 -1.62 -0.04 0.00 1.11 0.00 0.00 32.58 31.90 2e6p s HIS 65 CO -0.12 -0.78 -0.24 -0.98 -0.85 0.00 0.00 174.74 171.76 2e6p s ARG 66 N 1.38 1.42 -0.18 1.40 1.70 -1.23 -2.36 118.95 121.08 2e6p s ARG 66 Ca -0.05 -1.42 -0.01 0.00 -0.47 0.00 0.00 55.73 53.78 2e6p s ARG 66 Cb -0.19 -1.78 -0.00 0.00 -0.57 0.00 0.00 34.95 32.41 2e6p s ARG 66 CO -0.06 0.40 -0.11 -1.17 -1.08 0.00 0.00 175.30 173.27 2e6p s LEU 67 N -2.38 2.63 0.13 -1.89 0.20 -1.26 -1.65 118.68 114.46 2e6p s LEU 67 Ca 0.16 -0.44 0.03 0.00 0.69 0.00 0.00 54.13 54.57 2e6p s LEU 67 Cb -0.09 -1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 44.01 2e6p s LEU 67 CO 0.08 0.05 0.19 -0.63 -0.29 0.00 0.00 176.35 175.74 2e6p s ILE 68 N 1.06 4.93 -0.06 6.68 1.01 0.29 -0.56 121.20 134.55 2e6p s ILE 68 Ca -0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 2e6p s ILE 68 Cb -0.15 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 38.88 2e6p s ILE 68 CO -0.03 -0.02 0.06 -0.76 0.00 0.00 0.00 174.94 174.19 2e6p s LEU 69 N -2.91 0.21 0.19 2.97 1.43 0.14 -1.81 118.68 118.91 2e6p s LEU 69 Ca 0.32 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.37 2e6p s LEU 69 Cb -0.11 -0.18 0.11 0.00 0.03 0.00 0.00 46.19 46.04 2e6p s LEU 69 CO 0.26 -0.25 1.54 1.55 0.23 0.00 0.00 176.35 179.68 2e6p h PRO 70 N 8.42 0.70 -4.16 1.29 0.13 -1.81 -2.64 132.00 133.94 2e6p h PRO 70 Ca -0.13 -0.37 -0.57 0.00 -0.87 0.00 0.00 66.00 64.06 2e6p h PRO 70 Cb 1.12 0.01 -0.38 0.00 0.13 0.00 0.00 31.00 31.88 2e6p h PRO 70 CO 0.18 0.98 -0.79 -2.00 -0.23 0.00 0.00 178.00 176.14 2e6p s GLU 71 N -4.28 1.42 -1.29 0.86 2.12 -1.26 -4.46 118.70 111.81 2e6p s GLU 71 Ca -0.09 -0.71 -0.16 0.00 0.36 0.00 0.00 54.97 54.37 2e6p s GLU 71 Cb 0.12 -2.28 0.10 0.00 0.26 0.00 0.00 34.13 32.32 2e6p s GLU 71 CO 0.85 -0.53 1.70 0.00 -0.54 0.00 0.00 175.26 176.73 2e6p n ALA 72 N 4.81 3.81 -1.92 6.30 0.00 0.33 -4.87 120.51 128.98 2e6p n ALA 72 Ca -0.12 -3.96 -0.34 0.00 0.00 0.00 0.00 53.44 49.01 2e6p n ALA 72 Cb 0.46 -3.45 -0.07 0.00 0.00 0.00 0.00 19.45 16.40 2e6p n ALA 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2e6p s LYS 73 N 3.38 4.29 0.58 0.00 -2.85 -1.26 -2.30 119.74 121.59 2e6p s LYS 73 Ca 0.50 1.05 0.34 0.00 -1.00 0.00 0.00 55.97 56.86 2e6p s LYS 73 Cb 0.03 -2.51 1.34 0.00 -2.06 0.00 0.00 37.83 34.62 2e6p s LYS 73 CO 0.05 0.16 1.60 0.28 0.10 0.00 0.00 175.35 177.54 2e6p h VAL 74 N 2.25 0.17 -0.08 1.79 2.07 -1.94 1.14 116.25 121.64 2e6p h VAL 74 Ca -0.48 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 66.83 2e6p h VAL 74 Cb 1.18 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2e6p h VAL 74 CO 0.64 0.00 -0.82 1.56 0.02 0.00 0.00 177.57 178.96 2e6p h GLN 75 N 0.00 0.58 -0.80 1.57 1.08 -1.93 -3.14 115.11 112.46 2e6p h GLN 75 Ca 0.52 -0.51 0.21 0.00 -1.45 0.00 0.00 58.65 57.42 2e6p h GLN 75 Cb 2.52 0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 30.03 2e6p h GLN 75 CO -0.01 1.14 0.56 -0.44 -0.95 0.00 0.00 178.83 179.13 2e6p h ASP 76 N 0.38 0.17 -3.64 1.46 3.32 0.99 -3.42 116.42 115.68 2e6p h ASP 76 Ca -0.06 0.02 -0.56 0.00 0.02 0.00 0.00 57.03 56.45 2e6p h ASP 76 Cb 1.44 -0.02 0.12 0.00 0.22 0.00 0.00 39.33 41.09 2e6p h ASP 76 CO 0.15 0.07 0.58 -1.54 -1.72 0.00 0.00 179.24 176.78 2e6p n SER 77 N -4.39 2.93 0.00 6.45 3.41 -1.19 -4.92 113.62 115.92 2e6p n SER 77 Ca 0.16 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.92 2e6p n SER 77 Cb 0.76 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 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 0.70 1.72 3.69 5.00 0.00 -1.08 -4.99 105.19 110.23 2e6p n GLY 78 Ca 0.05 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.84 4.39 -0.20 1.61 -6.30 -1.26 -3.10 118.70 111.99 2e6p s GLU 79 Ca 0.00 1.56 -0.06 0.00 -2.50 0.00 0.00 54.97 53.97 2e6p s GLU 79 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 34.13 30.56 2e6p s GLU 79 CO 0.00 -0.38 0.02 -0.06 0.02 0.00 0.00 175.26 174.86 2e6p s PHE 80 N 2.07 3.08 -0.12 5.30 0.40 -0.81 -2.70 117.98 125.20 2e6p s PHE 80 Ca 0.53 -0.34 -0.00 0.00 -0.60 0.00 0.00 56.93 56.52 2e6p s PHE 80 Cb -0.22 -2.09 -0.02 0.00 0.51 0.00 0.00 43.02 41.20 2e6p s PHE 80 CO 0.21 -0.17 -0.12 -2.00 0.70 0.00 0.00 175.22 173.84 2e6p s GLU 81 N 0.91 3.32 -0.78 0.44 2.12 0.64 -1.15 118.70 124.20 2e6p s GLU 81 Ca 0.02 -0.66 -0.04 0.00 0.36 0.00 0.00 54.97 54.65 2e6p s GLU 81 Cb -0.14 -2.64 0.20 0.00 0.26 0.00 0.00 34.13 31.80 2e6p s GLU 81 CO 0.02 0.27 0.65 0.00 -0.54 0.00 0.00 175.26 175.66 2e6p s ARG 83 N -0.62 4.47 0.00 0.00 3.52 -0.32 -3.37 118.95 122.62 2e6p s ARG 83 Ca 0.22 1.56 0.00 0.00 -0.13 0.00 0.00 55.73 57.38 2e6p s ARG 83 Cb -0.13 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.80 2e6p s ARG 83 CO -0.08 -0.22 0.00 -2.37 -0.81 0.00 0.00 175.30 171.82 2e6p n THR 84 N 4.13 0.00 0.05 4.11 5.66 -1.13 -0.35 114.28 126.75 2e6p n THR 84 Ca 0.08 0.06 0.00 0.00 -3.05 0.00 0.00 64.05 61.14 2e6p n THR 84 Cb 0.49 -0.87 0.00 0.00 -1.55 0.00 0.00 70.33 68.39 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 -1.86 0.00 0.00 1.09 4.07 -1.26 -4.56 120.64 118.12 2e6p n GLU 85 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2e6p n GLU 85 Cb 0.00 -0.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.90 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 3.46 0.00 3.84 8.31 0.00 -1.26 -5.10 105.19 114.44 2e6p n GLY 86 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 1.55 0.11 1.61 -7.23 -1.26 -5.14 120.40 108.85 2e6p s VAL 87 Ca 0.00 -1.67 -0.25 0.00 -1.81 0.00 0.00 61.98 58.25 2e6p s VAL 87 Cb 0.00 -2.22 0.08 0.00 0.56 0.00 0.00 36.38 34.80 2e6p s VAL 87 CO 0.00 0.00 0.67 -0.44 -0.31 0.00 0.00 175.10 175.02 2e6p s SER 88 N -4.12 -0.54 -0.11 4.85 0.01 -1.26 -2.82 113.70 109.72 2e6p s SER 88 Ca 0.25 0.06 -0.03 0.00 1.31 0.00 0.00 55.95 57.54 2e6p s SER 88 Cb -0.01 0.55 -0.03 0.00 0.21 0.00 0.00 66.02 66.74 2e6p s SER 88 CO 0.15 -0.87 0.02 0.00 0.41 0.00 0.00 173.24 172.95 2e6p s ALA 89 N -3.40 3.31 -0.24 1.44 0.00 -1.22 -4.84 121.76 116.83 2e6p s ALA 89 Ca 0.01 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.12 2e6p s ALA 89 Cb -0.01 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 2e6p s ALA 89 CO -0.10 0.49 0.04 -0.06 0.00 0.00 0.00 175.76 176.13 2e6p s PHE 90 N -0.57 3.06 -0.26 0.00 0.40 -1.25 -1.89 117.98 117.46 2e6p s PHE 90 Ca 0.10 -0.53 -0.02 0.00 -0.60 0.00 0.00 56.93 55.88 2e6p s PHE 90 Cb -0.12 -2.19 0.03 0.00 0.51 0.00 0.00 43.02 41.25 2e6p s PHE 90 CO 0.02 -0.38 -0.04 -0.06 0.70 0.00 0.00 175.22 175.46 2e6p s PHE 91 N 1.51 3.12 -0.66 0.36 0.40 -0.30 -3.18 117.98 119.24 2e6p s PHE 91 Ca 0.06 -1.65 -0.24 0.00 -0.60 0.00 0.00 56.93 54.50 2e6p s PHE 91 Cb -0.15 -2.07 0.05 0.00 0.51 0.00 0.00 43.02 41.36 2e6p s PHE 91 CO 0.02 -0.75 1.05 0.20 0.70 0.00 0.00 175.22 176.44 2e6p s GLY 92 N 1.30 1.24 0.01 4.36 0.00 -0.98 -1.92 107.32 111.33 2e6p s GLY 92 Ca -0.01 -1.58 -0.02 0.00 0.00 0.00 0.00 44.72 43.10 2e6p s GLY 92 CO -0.03 2.23 0.18 0.14 0.00 0.00 0.00 173.10 175.61 2e6p s VAL 93 N 4.52 5.34 -0.12 1.40 1.01 -1.18 -1.03 120.40 130.35 2e6p s VAL 93 Ca 0.28 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 2e6p s VAL 93 Cb -0.13 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.78 2e6p s VAL 93 CO 0.13 0.28 0.09 -0.89 0.00 0.00 0.00 175.10 174.72 2e6p s THR 94 N -1.36 -0.12 -0.31 3.92 2.01 -0.64 -2.62 115.64 116.52 2e6p s THR 94 Ca 0.29 0.08 -0.11 0.00 0.31 0.00 0.00 61.69 62.26 2e6p s THR 94 Cb -0.13 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 2e6p s THR 94 CO 0.20 -0.09 0.18 -0.69 -0.69 0.00 0.00 174.62 173.54 2e6p s VAL 95 N 2.17 4.96 -0.09 3.82 1.01 -1.26 -0.92 120.40 130.09 2e6p s VAL 95 Ca 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 2e6p s VAL 95 Cb -0.14 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2e6p s VAL 95 CO -0.07 0.10 -0.06 -1.10 0.00 0.00 0.00 175.10 173.97 2e6p s GLN 96 N 1.68 2.98 0.14 2.72 -0.21 -0.08 -4.71 119.66 122.18 2e6p s GLN 96 Ca 0.06 -0.54 -0.30 0.00 0.02 0.00 0.00 55.36 54.60 2e6p s GLN 96 Cb -0.17 -2.67 -0.07 0.00 1.00 0.00 0.00 33.01 31.10 2e6p s GLN 96 CO 0.08 0.56 1.03 0.16 -2.12 0.00 0.00 175.29 175.01 2e6p s ASP 97 N -0.53 7.38 0.31 5.90 1.47 -1.26 -1.79 116.67 128.15 2e6p s ASP 97 Ca 0.08 1.93 -0.29 0.00 1.18 0.00 0.00 52.55 55.45 2e6p s ASP 97 Cb -0.12 -2.59 -0.10 0.00 -0.34 0.00 0.00 42.92 39.77 2e6p s ASP 97 CO 0.02 -0.15 1.22 -2.16 0.68 0.00 0.00 175.17 174.78 2e6p s PRO 98 N -0.12 4.45 -0.29 2.11 0.04 -1.26 -4.92 135.00 135.01 2e6p s PRO 98 Ca 0.48 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.55 2e6p s PRO 98 Cb -0.26 -3.10 0.09 0.00 0.04 0.00 0.00 34.50 31.27 2e6p s PRO 98 CO 0.32 -0.04 2.42 -1.13 0.04 0.00 0.00 177.00 178.61 2e6p n SER 99 N 0.92 6.22 -4.85 6.66 3.41 -1.26 -4.93 113.62 119.78 2e6p n SER 99 Ca -0.00 -2.98 -0.35 0.00 -0.26 0.00 0.00 58.87 55.29 2e6p n SER 99 Cb 0.43 -1.16 -0.06 0.00 -0.26 0.00 0.00 64.21 63.17 2e6p n SER 99 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2e6p s GLY 100 N 0.62 2.41 0.12 5.00 0.00 -1.26 -4.97 107.32 109.24 2e6p s GLY 100 Ca 0.40 -0.20 0.19 0.00 0.00 0.00 0.00 44.72 45.11 2e6p s GLY 100 CO -0.07 0.05 1.57 -1.55 0.00 0.00 0.00 173.10 173.10 2e6p n PRO 101 N 0.65 0.09 -1.18 2.90 -0.04 -1.26 -4.79 135.00 131.36 2e6p n PRO 101 Ca -0.05 0.34 -0.29 0.00 -0.04 0.00 0.00 63.50 63.47 2e6p n PRO 101 Cb 0.52 -1.68 0.17 0.00 -0.04 0.00 0.00 33.50 32.47 2e6p n PRO 101 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2e6p s SER 102 N -3.59 2.67 0.17 3.54 0.01 -1.26 -5.07 113.70 110.16 2e6p s SER 102 Ca 0.05 1.19 0.08 0.00 1.31 0.00 0.00 55.95 58.59 2e6p s SER 102 Cb 0.09 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.43 2e6p s SER 102 CO 0.32 -3.10 -0.18 -0.44 0.41 0.00 0.00 173.24 170.25 2e6p s SER 103 N -3.48 2.67 0.00 2.44 0.01 -1.26 -5.14 113.70 108.94 2e6p s SER 103 Ca 0.65 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2e6p s SER 103 Cb -0.18 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.89 2e6p s SER 103 CO 0.57 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.78