#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 5.40 0.96 1.61 1.04 -1.26 -5.10 113.70 116.35 2e6p s SER 2 Ca 0.00 0.01 -0.11 0.00 0.48 0.00 0.00 55.95 56.33 2e6p s SER 2 Cb 0.00 -1.45 0.17 0.00 0.10 0.00 0.00 66.02 64.84 2e6p s SER 2 CO 0.00 0.22 1.10 -0.94 0.98 0.00 0.00 173.24 174.60 2e6p s SER 3 N -2.01 2.72 0.00 7.02 1.04 -1.26 -4.95 113.70 116.26 2e6p s SER 3 Ca 0.25 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.51 2e6p s SER 3 Cb -0.12 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2e6p s SER 3 CO 0.17 -3.17 0.00 0.61 0.98 0.00 0.00 173.24 171.83 2e6p n GLY 4 N -0.09 0.90 3.05 7.32 0.00 -1.26 -5.05 105.19 110.05 2e6p n GLY 4 Ca 0.08 -2.02 -0.17 0.00 0.00 0.00 0.00 46.02 43.91 2e6p n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e6p n SER 5 N 2.30 -4.46 -4.43 1.61 2.88 -1.26 -5.02 113.62 105.24 2e6p n SER 5 Ca 0.00 -0.43 -0.27 0.00 -1.33 0.00 0.00 58.87 56.83 2e6p n SER 5 Cb 0.00 -4.01 0.14 0.00 -0.75 0.00 0.00 64.21 59.59 2e6p n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2e6p s SER 6 N -3.47 3.76 0.00 -3.46 0.01 -1.26 -4.99 113.70 104.29 2e6p s SER 6 Ca 0.33 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.72 2e6p s SER 6 Cb -0.14 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.71 2e6p s SER 6 CO 0.56 -2.29 0.00 0.61 0.41 0.00 0.00 173.24 172.53 2e6p n GLY 7 N -3.37 -0.81 0.06 3.44 0.00 -1.26 -4.95 105.19 98.31 2e6p n GLY 7 Ca 0.14 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.01 -2.77 1.61 0.13 -1.94 -3.45 132.00 125.57 2e6p h PRO 8 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.99 2e6p h PRO 8 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 2e6p h PRO 8 CO 0.00 0.47 -0.38 0.54 -0.23 0.00 0.00 178.00 178.40 2e6p s VAL 9 N -4.25 -0.11 -0.04 1.56 0.11 -1.26 -4.82 120.40 111.59 2e6p s VAL 9 Ca -0.16 0.13 0.03 0.00 -2.93 0.00 0.00 61.98 59.05 2e6p s VAL 9 Cb 0.02 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 2e6p s VAL 9 CO 0.67 0.05 -0.13 -1.38 -3.33 0.00 0.00 175.10 170.98 2e6p s HIS 10 N 1.53 1.36 0.44 1.54 -3.43 -1.26 -4.12 115.29 111.36 2e6p s HIS 10 Ca -0.08 -0.40 -0.24 0.00 -0.80 0.00 0.00 55.06 53.54 2e6p s HIS 10 Cb -0.10 -0.95 -0.08 0.00 -1.43 0.00 0.00 32.58 30.03 2e6p s HIS 10 CO -0.11 -0.16 1.23 0.42 -2.00 0.00 0.00 174.74 174.12 2e6p s ILE 11 N 0.22 2.86 -0.10 -5.38 1.01 -1.26 -1.92 121.20 116.62 2e6p s ILE 11 Ca -0.05 0.69 0.07 0.00 0.00 0.00 0.00 60.65 61.36 2e6p s ILE 11 Cb -0.11 -3.38 -0.11 0.00 0.01 0.00 0.00 42.46 38.87 2e6p s ILE 11 CO 0.02 0.04 0.01 0.18 0.00 0.00 0.00 174.94 175.19 2e6p n LEU 12 N -0.26 0.48 -3.69 2.97 4.77 -1.13 -4.93 117.00 115.20 2e6p n LEU 12 Ca 0.06 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 2e6p n LEU 12 Cb 0.46 0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 2e6p n LEU 12 CO 0.51 0.31 0.18 -0.44 -1.33 0.00 0.00 177.39 176.62 2e6p s SER 13 N -4.31 -0.60 1.19 -1.43 0.01 -1.26 -4.29 113.70 103.02 2e6p s SER 13 Ca -0.06 1.08 -0.19 0.00 1.31 0.00 0.00 55.95 58.09 2e6p s SER 13 Cb 0.03 1.03 0.28 0.00 0.21 0.00 0.00 66.02 67.57 2e6p s SER 13 CO 0.36 -0.19 1.11 -2.16 0.41 0.00 0.00 173.24 172.77 2e6p s PRO 14 N 0.80 -1.13 -0.12 12.44 0.04 -1.26 -0.11 135.00 145.66 2e6p s PRO 14 Ca -0.04 -0.03 0.04 0.00 0.04 0.00 0.00 61.00 61.01 2e6p s PRO 14 Cb -0.05 -1.60 -0.24 0.00 0.04 0.00 0.00 34.50 32.65 2e6p s PRO 14 CO -0.06 -3.66 0.37 1.04 0.04 0.00 0.00 177.00 174.73 2e6p n GLN 15 N -4.73 0.69 -4.10 4.56 6.02 -1.26 -4.98 117.38 113.59 2e6p n GLN 15 Ca 0.13 0.23 -0.15 0.00 -0.01 0.00 0.00 57.00 57.20 2e6p n GLN 15 Cb 0.59 -1.70 -0.05 0.00 1.02 0.00 0.00 30.24 30.11 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 -6.46 0.88 0.07 1.08 1.47 -1.26 -5.11 116.67 107.34 2e6p s ASP 16 Ca -0.16 -1.47 -0.37 0.00 1.18 0.00 0.00 52.55 51.73 2e6p s ASP 16 Cb 0.07 0.65 -0.18 0.00 -0.34 0.00 0.00 42.92 43.12 2e6p s ASP 16 CO 0.78 -1.27 1.22 1.17 0.68 0.00 0.00 175.17 177.75 2e6p n LYS 17 N -0.55 0.75 -3.53 2.11 3.00 -1.26 -4.90 118.16 113.77 2e6p n LYS 17 Ca 0.01 0.27 -0.22 0.00 -0.00 0.00 0.00 58.31 58.37 2e6p n LYS 17 Cb 0.62 -1.84 -0.00 0.00 0.00 0.00 0.00 35.03 33.80 2e6p n LYS 17 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2e6p n VAL 18 N 2.07 0.00 -3.70 3.15 0.24 -1.23 -5.05 118.33 113.81 2e6p n VAL 18 Ca 0.19 -1.85 -0.11 0.00 -2.04 0.00 0.00 64.34 60.53 2e6p n VAL 18 Cb 0.16 -0.05 -0.10 0.00 -1.47 0.00 0.00 33.84 32.38 2e6p n VAL 18 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2e6p s SER 19 N -3.66 -0.53 0.06 -1.34 0.15 -1.26 -3.33 113.70 103.78 2e6p s SER 19 Ca 0.23 0.95 -0.05 0.00 0.70 0.00 0.00 55.95 57.78 2e6p s SER 19 Cb -0.02 0.88 -0.02 0.00 -1.71 0.00 0.00 66.02 65.15 2e6p s SER 19 CO 0.15 -0.18 0.07 -0.76 1.20 0.00 0.00 173.24 173.72 2e6p s LEU 20 N 0.95 1.96 0.04 3.45 1.43 0.13 -4.94 118.68 121.70 2e6p s LEU 20 Ca -0.06 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.29 2e6p s LEU 20 Cb -0.06 0.57 -0.03 0.00 0.03 0.00 0.00 46.19 46.70 2e6p s LEU 20 CO -0.08 -0.61 -0.05 -0.89 0.23 0.00 0.00 176.35 174.96 2e6p s THR 21 N -3.50 0.29 0.27 5.49 2.01 -1.26 -2.17 115.64 116.78 2e6p s THR 21 Ca 0.03 -1.22 -0.16 0.00 0.31 0.00 0.00 61.69 60.65 2e6p s THR 21 Cb 0.04 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 71.85 2e6p s THR 21 CO -0.09 -0.60 0.60 -0.36 -0.69 0.00 0.00 174.62 173.48 2e6p s PHE 22 N -2.11 0.15 0.08 4.92 0.40 0.23 -4.91 117.98 116.74 2e6p s PHE 22 Ca -0.08 -0.57 0.04 0.00 -0.60 0.00 0.00 56.93 55.72 2e6p s PHE 22 Cb -0.05 0.44 -0.04 0.00 0.51 0.00 0.00 43.02 43.87 2e6p s PHE 22 CO -0.03 -1.14 0.04 0.99 0.70 0.00 0.00 175.22 175.78 2e6p s THR 23 N -3.81 4.28 0.41 0.64 2.01 -1.26 -0.17 115.64 117.73 2e6p s THR 23 Ca 0.18 -0.86 -0.24 0.00 0.31 0.00 0.00 61.69 61.08 2e6p s THR 23 Cb -0.03 -3.04 -0.12 0.00 0.01 0.00 0.00 72.50 69.32 2e6p s THR 23 CO 0.09 0.14 0.80 0.41 -0.69 0.00 0.00 174.62 175.37 2e6p n THR 24 N 0.56 2.16 -3.30 -0.82 -1.04 -0.91 -2.60 114.28 108.34 2e6p n THR 24 Ca -0.10 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.05 61.25 2e6p n THR 24 Cb 0.52 -0.85 0.08 0.00 -1.82 0.00 0.00 70.33 68.25 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 0.88 -3.04 -4.39 8.00 7.64 -0.82 -4.85 113.62 117.05 2e6p n SER 25 Ca 0.11 -0.52 -0.25 0.00 1.01 0.00 0.00 58.87 59.21 2e6p n SER 25 Cb 0.38 -4.49 -0.09 0.00 -1.01 0.00 0.00 64.21 59.00 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 -5.43 1.87 -0.25 1.43 0.41 -1.07 -4.80 118.70 110.85 2e6p s GLU 26 Ca 0.14 -2.11 -0.09 0.00 -0.41 0.00 0.00 54.97 52.50 2e6p s GLU 26 Cb -0.06 -0.95 -0.04 0.00 -1.78 0.00 0.00 34.13 31.31 2e6p s GLU 26 CO 0.63 -0.31 0.11 0.50 -0.49 0.00 0.00 175.26 175.70 2e6p s ARG 27 N -3.81 3.82 -0.09 1.61 3.52 -1.26 0.30 118.95 123.05 2e6p s ARG 27 Ca 0.27 -0.40 0.03 0.00 -0.13 0.00 0.00 55.73 55.50 2e6p s ARG 27 Cb 0.05 -3.42 -0.01 0.00 -1.56 0.00 0.00 34.95 30.01 2e6p s ARG 27 CO 0.13 -0.10 -0.19 0.08 -0.81 0.00 0.00 175.30 174.42 2e6p s VAL 28 N 1.44 2.60 -0.18 7.11 1.01 -0.87 -4.96 120.40 126.55 2e6p s VAL 28 Ca 0.06 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 2e6p s VAL 28 Cb -0.15 -2.02 0.06 0.00 0.00 0.00 0.00 36.38 34.27 2e6p s VAL 28 CO 0.06 0.56 0.10 -0.69 0.00 0.00 0.00 175.10 175.12 2e6p s VAL 29 N 0.00 -0.11 0.53 2.92 1.01 -1.26 0.88 120.40 124.38 2e6p s VAL 29 Ca -0.06 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 2e6p s VAL 29 Cb -0.15 -0.59 0.12 0.00 0.00 0.00 0.00 36.38 35.77 2e6p s VAL 29 CO 0.05 -0.28 0.67 0.18 0.00 0.00 0.00 175.10 175.71 2e6p n LEU 30 N 5.28 0.00 -3.57 3.92 4.77 -0.31 -4.92 117.00 122.18 2e6p n LEU 30 Ca -0.07 -0.73 -0.16 0.00 -0.03 0.00 0.00 56.01 55.02 2e6p n LEU 30 Cb 0.49 -0.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 2e6p n LEU 30 CO 0.10 -1.11 0.44 -0.89 -1.33 0.00 0.00 177.39 174.60 2e6p s THR 31 N -2.42 0.00 0.00 -5.08 2.01 -1.26 -4.09 115.64 104.80 2e6p s THR 31 Ca 0.39 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 62.17 2e6p s THR 31 Cb -0.01 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.54 2e6p s THR 31 CO 0.28 0.00 0.49 0.00 -0.69 0.00 0.00 174.62 174.70 2e6p s GLU 33 N -1.81 0.99 0.26 0.00 2.12 0.84 -1.72 118.70 119.38 2e6p s GLU 33 Ca -0.09 -1.10 0.01 0.00 0.36 0.00 0.00 54.97 54.15 2e6p s GLU 33 Cb -0.02 -1.09 -0.05 0.00 0.26 0.00 0.00 34.13 33.23 2e6p s GLU 33 CO 0.03 0.24 0.09 -0.51 -0.54 0.00 0.00 175.26 174.57 2e6p s LEU 34 N -1.95 1.68 -0.49 2.70 1.43 0.11 -2.84 118.68 119.31 2e6p s LEU 34 Ca 0.04 -1.38 0.03 0.00 -1.03 0.00 0.00 54.13 51.79 2e6p s LEU 34 Cb -0.09 -0.00 0.54 0.00 0.03 0.00 0.00 46.19 46.66 2e6p s LEU 34 CO 0.03 -0.72 1.82 -0.24 0.23 0.00 0.00 176.35 177.47 2e6p n SER 35 N -0.47 5.17 -3.57 2.29 2.88 -0.81 -4.77 113.62 114.34 2e6p n SER 35 Ca -0.00 -3.73 -0.00 0.00 -1.33 0.00 0.00 58.87 53.81 2e6p n SER 35 Cb 0.66 -0.81 -0.04 0.00 -0.75 0.00 0.00 64.21 63.27 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 -3.53 0.54 0.42 -1.46 0.52 -1.26 -4.69 118.95 109.49 2e6p s ARG 36 Ca 0.57 1.33 -0.24 0.00 -0.52 0.00 0.00 55.73 56.88 2e6p s ARG 36 Cb 0.47 0.79 -0.09 0.00 0.52 0.00 0.00 34.95 36.65 2e6p s ARG 36 CO 0.04 -0.23 1.08 0.08 0.02 0.00 0.00 175.30 176.29 2e6p s VAL 37 N 2.85 3.56 -1.29 3.52 1.01 -1.26 -3.69 120.40 125.09 2e6p s VAL 37 Ca -0.03 1.18 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 2e6p s VAL 37 Cb -0.12 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2e6p s VAL 37 CO -0.19 -0.01 0.78 -0.67 0.00 0.00 0.00 175.10 175.01 2e6p n ASP 38 N -0.21 -1.50 -4.65 3.32 -0.08 0.83 -4.86 116.55 109.39 2e6p n ASP 38 Ca 0.06 -0.77 -0.34 0.00 -1.51 0.00 0.00 54.79 52.22 2e6p n ASP 38 Cb 0.49 -4.30 -0.10 0.00 2.34 0.00 0.00 41.12 39.55 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 -3.59 3.08 0.68 -0.67 5.36 -1.21 -5.07 117.98 116.56 2e6p s PHE 39 Ca 0.03 0.13 -0.14 0.00 -0.96 0.00 0.00 56.93 55.98 2e6p s PHE 39 Cb -0.01 -1.75 0.01 0.00 -0.34 0.00 0.00 43.02 40.93 2e6p s PHE 39 CO 0.79 0.43 1.11 -1.25 -1.46 0.00 0.00 175.22 174.84 2e6p s PRO 40 N -0.95 2.69 -0.21 10.12 0.04 -1.26 -5.00 135.00 140.43 2e6p s PRO 40 Ca 0.14 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 2e6p s PRO 40 Cb -0.11 -1.94 0.15 0.00 0.04 0.00 0.00 34.50 32.64 2e6p s PRO 40 CO 0.03 -1.33 1.14 0.00 0.04 0.00 0.00 177.00 176.88 2e6p s ALA 41 N -2.46 -2.01 -0.07 8.56 0.00 -1.26 -4.45 121.76 120.08 2e6p s ALA 41 Ca 0.66 1.71 0.03 0.00 0.00 0.00 0.00 51.96 54.35 2e6p s ALA 41 Cb -0.20 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 21.90 2e6p s ALA 41 CO 0.44 -0.28 -0.13 0.99 0.00 0.00 0.00 175.76 176.78 2e6p s THR 42 N -1.06 1.22 0.05 0.00 2.01 0.16 -4.97 115.64 113.04 2e6p s THR 42 Ca 0.02 -0.53 -0.26 0.00 0.31 0.00 0.00 61.69 61.23 2e6p s THR 42 Cb -0.01 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.35 2e6p s THR 42 CO -0.02 0.37 0.79 0.26 -0.69 0.00 0.00 174.62 175.33 2e6p s TRP 43 N 0.58 3.74 0.03 4.92 0.52 -1.26 -0.98 118.94 126.49 2e6p s TRP 43 Ca -0.14 1.51 0.06 0.00 0.02 0.00 0.00 56.10 57.56 2e6p s TRP 43 Cb -0.15 -2.86 -0.02 0.00 -1.15 0.00 0.00 33.47 29.29 2e6p s TRP 43 CO 0.04 0.25 -0.19 0.71 0.02 0.00 0.00 176.95 177.78 2e6p s TYR 44 N 0.03 1.67 -0.06 -1.98 2.02 0.12 -1.64 117.35 117.51 2e6p s TYR 44 Ca 0.40 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.76 2e6p s TYR 44 Cb -0.21 -1.01 0.02 0.00 -0.40 0.00 0.00 41.96 40.36 2e6p s TYR 44 CO 0.24 0.05 -0.07 0.21 -1.57 0.00 0.00 175.55 174.41 2e6p s LYS 45 N -0.98 1.15 -1.37 -0.62 2.20 -0.43 -0.47 119.74 119.22 2e6p s LYS 45 Ca 0.06 -0.20 -0.10 0.00 -0.36 0.00 0.00 55.97 55.38 2e6p s LYS 45 Cb -0.08 -1.10 0.07 0.00 -1.51 0.00 0.00 37.83 35.20 2e6p s LYS 45 CO 0.01 -0.09 0.58 -3.47 -0.36 0.00 0.00 175.35 172.03 2e6p n ASP 46 N 4.17 -4.16 -1.76 1.43 2.03 -1.07 -0.50 116.55 116.69 2e6p n ASP 46 Ca -0.21 -0.46 -0.12 0.00 0.52 0.00 0.00 54.79 54.52 2e6p n ASP 46 Cb 0.51 -3.41 0.02 0.00 -0.72 0.00 0.00 41.12 37.52 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 -1.30 0.07 3.08 0.27 0.00 -1.26 -5.02 105.19 101.02 2e6p n GLY 47 Ca -0.02 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -5.22 0.23 0.24 1.61 -0.21 0.35 -5.13 119.66 111.53 2e6p s GLN 48 Ca 0.18 0.80 -0.29 0.00 0.02 0.00 0.00 55.36 56.08 2e6p s GLN 48 Cb -0.08 -0.01 -0.15 0.00 1.00 0.00 0.00 33.01 33.77 2e6p s GLN 48 CO 0.22 -0.33 0.86 1.17 -2.12 0.00 0.00 175.29 175.10 2e6p n LYS 49 N 5.36 0.86 -3.41 2.91 4.81 -1.26 -1.31 118.16 126.12 2e6p n LYS 49 Ca -0.07 0.30 -0.36 0.00 -0.87 0.00 0.00 58.31 57.31 2e6p n LYS 49 Cb 0.50 -1.56 -0.06 0.00 0.02 0.00 0.00 35.03 33.93 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 -0.93 4.91 -0.44 3.15 -7.23 -0.65 -4.80 120.40 114.41 2e6p s VAL 50 Ca 0.62 0.81 -0.11 0.00 -1.81 0.00 0.00 61.98 61.49 2e6p s VAL 50 Cb -0.80 -3.74 0.08 0.00 0.56 0.00 0.00 36.38 32.48 2e6p s VAL 50 CO 0.58 0.34 0.30 -1.61 -0.31 0.00 0.00 175.10 174.40 2e6p s GLU 51 N -1.72 2.71 -0.30 4.82 2.02 -1.26 -4.88 118.70 120.08 2e6p s GLU 51 Ca 0.34 -1.44 -0.35 0.00 0.02 0.00 0.00 54.97 53.53 2e6p s GLU 51 Cb -0.16 -3.89 -0.11 0.00 0.10 0.00 0.00 34.13 30.07 2e6p s GLU 51 CO 0.18 -0.99 2.12 0.39 0.02 0.00 0.00 175.26 176.98 2e6p n GLU 52 N 5.00 1.28 -3.21 1.61 1.02 -1.26 -4.74 120.64 120.34 2e6p n GLU 52 Ca -0.11 0.38 -0.11 0.00 -0.02 0.00 0.00 57.16 57.31 2e6p n GLU 52 Cb 0.43 -2.51 -0.04 0.00 -0.02 0.00 0.00 31.44 29.30 2e6p n GLU 52 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2e6p n SER 53 N 9.21 -0.43 0.11 1.62 3.41 0.36 -4.96 113.62 122.93 2e6p n SER 53 Ca 0.37 -2.20 0.05 0.00 -0.26 0.00 0.00 58.87 56.83 2e6p n SER 53 Cb 0.24 0.97 0.51 0.00 -0.26 0.00 0.00 64.21 65.68 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 0.32 0.00 4.33 4.11 -2.02 -0.60 114.58 120.72 2e6p h GLU 54 Ca -0.13 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.28 2e6p h GLU 54 Cb 0.66 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2e6p h GLU 54 CO 0.19 0.22 -0.54 1.28 0.07 0.00 0.00 179.01 180.24 2e6p n LEU 55 N -4.49 0.61 -3.71 3.06 4.77 -1.26 -4.65 117.00 111.33 2e6p n LEU 55 Ca 0.01 0.20 -0.30 0.00 -0.03 0.00 0.00 56.01 55.89 2e6p n LEU 55 Cb 0.08 -0.22 -0.15 0.00 -2.33 0.00 0.00 43.42 40.80 2e6p n LEU 55 CO 0.35 -0.01 -0.33 -0.22 -1.33 0.00 0.00 177.39 175.85 2e6p s LEU 56 N -3.84 2.05 0.09 2.23 0.20 -0.23 -4.32 118.68 114.86 2e6p s LEU 56 Ca 0.08 -1.63 0.02 0.00 0.69 0.00 0.00 54.13 53.29 2e6p s LEU 56 Cb 0.15 -0.81 -0.04 0.00 -0.43 0.00 0.00 46.19 45.06 2e6p s LEU 56 CO 0.70 -0.41 0.19 -0.69 -0.29 0.00 0.00 176.35 175.84 2e6p s VAL 57 N 1.63 5.08 -0.22 1.68 1.01 -0.20 -0.49 120.40 128.89 2e6p s VAL 57 Ca 0.10 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 2e6p s VAL 57 Cb -0.17 -3.51 0.08 0.00 0.00 0.00 0.00 36.38 32.78 2e6p s VAL 57 CO -0.26 0.06 0.50 0.54 0.00 0.00 0.00 175.10 175.95 2e6p s VAL 58 N -1.55 -0.37 0.35 2.92 0.11 -1.26 0.16 120.40 120.76 2e6p s VAL 58 Ca 0.33 0.09 0.07 0.00 -2.93 0.00 0.00 61.98 59.54 2e6p s VAL 58 Cb -0.12 -0.76 -0.02 0.00 -1.53 0.00 0.00 36.38 33.95 2e6p s VAL 58 CO 0.26 0.04 0.37 -0.54 -3.33 0.00 0.00 175.10 171.89 2e6p s LYS 59 N 2.06 2.79 -0.25 1.54 -0.14 0.07 -4.97 119.74 120.84 2e6p s LYS 59 Ca -0.07 -1.26 -0.03 0.00 -1.36 0.00 0.00 55.97 53.25 2e6p s LYS 59 Cb -0.09 -2.56 0.11 0.00 -1.68 0.00 0.00 37.83 33.60 2e6p s LYS 59 CO -0.15 0.01 0.23 1.41 -0.76 0.00 0.00 175.35 176.10 2e6p s MET 60 N -4.08 0.24 -0.44 1.68 -2.45 -1.26 -2.76 119.30 110.22 2e6p s MET 60 Ca 0.44 -0.02 -0.09 0.00 -1.25 0.00 0.00 55.69 54.77 2e6p s MET 60 Cb -0.07 -1.02 0.10 0.00 1.25 0.00 0.00 34.83 35.10 2e6p s MET 60 CO 0.28 -0.84 0.30 0.34 1.05 0.00 0.00 175.02 176.15 2e6p s ASP 61 N 2.30 5.65 0.13 1.11 2.15 0.65 -4.95 116.67 123.72 2e6p s ASP 61 Ca 0.08 -1.74 0.00 0.00 0.43 0.00 0.00 52.55 51.32 2e6p s ASP 61 Cb -0.15 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 2e6p s ASP 61 CO -0.23 -0.62 0.00 0.61 -0.17 0.00 0.00 175.17 174.76 2e6p n GLY 62 N 4.90 0.41 1.74 2.66 0.00 -1.26 0.74 105.19 114.37 2e6p n GLY 62 Ca -0.09 0.44 -0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 3.04 -3.66 1.61 1.85 -1.26 -0.12 116.66 118.12 2e6p n ARG 63 Ca 0.00 -3.86 -0.22 0.00 -1.00 0.00 0.00 57.85 52.77 2e6p n ARG 63 Cb 0.00 -2.13 -0.18 0.00 -1.05 0.00 0.00 32.46 29.10 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 -3.53 0.05 -0.07 2.89 1.02 0.23 0.04 119.74 120.37 2e6p s LYS 64 Ca 0.50 0.19 0.02 0.00 0.02 0.00 0.00 55.97 56.69 2e6p s LYS 64 Cb 0.41 -1.00 -0.03 0.00 -0.52 0.00 0.00 37.83 36.69 2e6p s LYS 64 CO 0.01 -0.44 -0.10 -1.01 -0.92 0.00 0.00 175.35 172.89 2e6p s HIS 65 N 2.13 2.83 -0.13 3.18 3.76 -0.70 -0.25 115.29 126.10 2e6p s HIS 65 Ca 0.04 -0.10 -0.15 0.00 -0.15 0.00 0.00 55.06 54.70 2e6p s HIS 65 Cb -0.13 -1.69 0.04 0.00 1.11 0.00 0.00 32.58 31.91 2e6p s HIS 65 CO -0.05 0.23 0.41 -0.98 -0.85 0.00 0.00 174.74 173.49 2e6p s ARG 66 N -0.68 0.53 -0.22 1.40 1.70 -1.11 0.04 118.95 120.61 2e6p s ARG 66 Ca 0.10 0.46 -0.05 0.00 -0.47 0.00 0.00 55.73 55.78 2e6p s ARG 66 Cb -0.11 0.25 -0.02 0.00 -0.57 0.00 0.00 34.95 34.50 2e6p s ARG 66 CO 0.01 -0.08 -0.01 -1.17 -1.08 0.00 0.00 175.30 172.97 2e6p s LEU 67 N -0.04 3.09 0.22 -1.89 0.20 -1.26 -0.75 118.68 118.25 2e6p s LEU 67 Ca -0.02 -0.30 0.02 0.00 0.69 0.00 0.00 54.13 54.52 2e6p s LEU 67 Cb -0.03 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 2e6p s LEU 67 CO 0.01 0.01 0.38 -0.63 -0.29 0.00 0.00 176.35 175.83 2e6p s ILE 68 N 1.32 5.24 -0.10 6.68 1.01 0.42 -1.16 121.20 134.61 2e6p s ILE 68 Ca 0.04 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 2e6p s ILE 68 Cb -0.15 -3.80 0.05 0.00 0.01 0.00 0.00 42.46 38.58 2e6p s ILE 68 CO -0.00 -0.26 0.18 -0.76 0.00 0.00 0.00 174.94 174.09 2e6p s LEU 69 N -3.66 -0.11 0.15 2.97 1.43 0.25 -1.04 118.68 118.67 2e6p s LEU 69 Ca 0.36 0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.68 2e6p s LEU 69 Cb -0.10 0.34 -0.03 0.00 0.03 0.00 0.00 46.19 46.42 2e6p s LEU 69 CO 0.30 -0.25 1.48 1.55 0.23 0.00 0.00 176.35 179.66 2e6p h PRO 70 N 8.35 0.93 -3.39 1.29 0.13 -1.83 -2.33 132.00 135.15 2e6p h PRO 70 Ca -0.13 -0.49 -0.55 0.00 -0.87 0.00 0.00 66.00 63.95 2e6p h PRO 70 Cb 1.12 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.87 2e6p h PRO 70 CO 0.15 1.15 -0.76 -2.00 -0.23 0.00 0.00 178.00 176.31 2e6p s GLU 71 N -4.39 0.58 -0.80 0.86 2.12 -1.25 -4.35 118.70 111.47 2e6p s GLU 71 Ca -0.11 -0.75 -0.26 0.00 0.36 0.00 0.00 54.97 54.21 2e6p s GLU 71 Cb 0.11 -1.85 0.02 0.00 0.26 0.00 0.00 34.13 32.67 2e6p s GLU 71 CO 0.88 -0.89 1.45 0.00 -0.54 0.00 0.00 175.26 176.17 2e6p s ALA 72 N 1.79 2.58 0.37 6.30 0.00 0.15 -4.85 121.76 128.11 2e6p s ALA 72 Ca 0.06 -1.50 -0.11 0.00 0.00 0.00 0.00 51.96 50.42 2e6p s ALA 72 Cb -0.17 -4.35 -0.07 0.00 0.00 0.00 0.00 23.12 18.53 2e6p s ALA 72 CO -0.22 -3.56 0.73 -1.59 0.00 0.00 0.00 175.76 171.12 2e6p s LYS 73 N 5.83 3.81 0.55 0.00 -2.85 -1.26 -1.94 119.74 123.88 2e6p s LYS 73 Ca 0.45 0.46 0.36 0.00 -1.00 0.00 0.00 55.97 56.24 2e6p s LYS 73 Cb -0.07 -2.43 1.54 0.00 -2.06 0.00 0.00 37.83 34.80 2e6p s LYS 73 CO 0.09 0.04 1.78 0.28 0.10 0.00 0.00 175.35 177.64 2e6p h VAL 74 N 1.35 0.37 0.01 1.79 2.07 -1.94 0.87 116.25 120.77 2e6p h VAL 74 Ca -0.47 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.85 2e6p h VAL 74 Cb 1.18 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2e6p h VAL 74 CO 0.65 0.00 -0.91 1.56 0.02 0.00 0.00 177.57 178.89 2e6p h GLN 75 N 0.00 0.14 0.00 1.57 4.20 -1.92 -3.12 115.11 115.98 2e6p h GLN 75 Ca 0.55 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 59.09 2e6p h GLN 75 Cb 2.29 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 30.12 2e6p h GLN 75 CO -0.01 0.95 -0.02 -0.44 -0.67 0.00 0.00 178.83 178.65 2e6p h ASP 76 N 0.07 0.00 -2.70 1.46 3.32 0.43 -3.42 116.42 115.58 2e6p h ASP 76 Ca -0.04 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.48 2e6p h ASP 76 Cb 1.56 0.00 0.03 0.00 0.22 0.00 0.00 39.33 41.14 2e6p h ASP 76 CO 0.13 0.02 0.99 -0.94 -1.72 0.00 0.00 179.24 177.72 2e6p s SER 77 N -5.60 6.59 0.00 6.45 1.04 -1.15 -4.86 113.70 116.17 2e6p s SER 77 Ca -0.04 2.53 0.00 0.00 0.48 0.00 0.00 55.95 58.92 2e6p s SER 77 Cb 0.13 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2e6p s SER 77 CO 0.48 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2e6p n GLY 78 N 3.97 -0.69 3.32 7.32 0.00 -0.95 -4.95 105.19 113.21 2e6p n GLY 78 Ca 0.16 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.41 3.18 0.15 1.61 2.56 -1.26 -0.92 118.70 123.61 2e6p s GLU 79 Ca 0.00 -0.77 0.05 0.00 0.00 0.00 0.00 54.97 54.25 2e6p s GLU 79 Cb 0.00 -2.48 -0.04 0.00 2.00 0.00 0.00 34.13 33.61 2e6p s GLU 79 CO 0.00 0.23 0.11 -0.06 -0.56 0.00 0.00 175.26 174.98 2e6p s PHE 80 N 0.26 3.11 -0.12 5.30 0.40 -0.30 -2.60 117.98 124.03 2e6p s PHE 80 Ca -0.12 -0.02 -0.07 0.00 -0.60 0.00 0.00 56.93 56.12 2e6p s PHE 80 Cb -0.16 -1.51 0.05 0.00 0.51 0.00 0.00 43.02 41.91 2e6p s PHE 80 CO 0.06 0.52 0.29 -2.00 0.70 0.00 0.00 175.22 174.80 2e6p s GLU 81 N -2.97 0.26 -1.11 0.44 2.12 0.38 -1.22 118.70 116.60 2e6p s GLU 81 Ca 0.30 0.60 -0.06 0.00 0.36 0.00 0.00 54.97 56.17 2e6p s GLU 81 Cb -0.10 -0.09 0.29 0.00 0.26 0.00 0.00 34.13 34.49 2e6p s GLU 81 CO 0.22 -0.16 1.35 0.00 -0.54 0.00 0.00 175.26 176.14 2e6p n ARG 83 N 2.05 2.51 -3.90 0.00 0.63 -0.15 -4.09 116.66 113.71 2e6p n ARG 83 Ca 0.26 0.89 -0.09 0.00 -0.92 0.00 0.00 57.85 57.99 2e6p n ARG 83 Cb 0.36 -2.65 -0.06 0.00 0.45 0.00 0.00 32.46 30.56 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 0.13 0.04 -0.94 5.15 -1.32 -1.12 -0.66 115.64 116.91 2e6p s THR 84 Ca 0.67 -1.21 -0.25 0.00 -1.21 0.00 0.00 61.69 59.69 2e6p s THR 84 Cb -0.55 -1.84 -0.17 0.00 -1.51 0.00 0.00 72.50 68.43 2e6p s THR 84 CO 0.47 -0.18 1.93 1.21 -2.21 0.00 0.00 174.62 175.84 2e6p n GLU 85 N -0.29 1.03 0.00 7.08 0.00 -1.26 -3.51 120.64 123.69 2e6p n GLU 85 Ca -0.07 -1.99 0.00 0.00 0.00 0.00 0.00 57.16 55.10 2e6p n GLU 85 Cb 0.63 -3.47 0.00 0.00 0.00 0.00 0.00 31.44 28.59 2e6p n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2e6p n GLY 86 N 5.52 -0.33 3.31 8.31 0.00 -1.26 -4.28 105.19 116.46 2e6p n GLY 86 Ca 0.45 0.24 -0.19 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 0.17 0.03 1.61 -7.23 -1.23 -5.05 120.40 108.70 2e6p s VAL 87 Ca 0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 2e6p s VAL 87 Cb 0.00 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 2e6p s VAL 87 CO 0.00 0.00 -0.05 -0.44 -0.31 0.00 0.00 175.10 174.30 2e6p s SER 88 N -3.36 0.58 0.58 4.85 0.01 -1.26 -2.80 113.70 112.30 2e6p s SER 88 Ca 0.37 -0.42 0.08 0.00 1.31 0.00 0.00 55.95 57.29 2e6p s SER 88 Cb 0.04 0.03 0.08 0.00 0.21 0.00 0.00 66.02 66.39 2e6p s SER 88 CO 0.20 -0.17 0.69 0.00 0.41 0.00 0.00 173.24 174.37 2e6p s ALA 89 N -1.09 4.67 -0.17 1.44 0.00 -1.26 -4.94 121.76 120.41 2e6p s ALA 89 Ca -0.09 -1.87 -0.08 0.00 0.00 0.00 0.00 51.96 49.91 2e6p s ALA 89 Cb -0.08 -1.21 0.06 0.00 0.00 0.00 0.00 23.12 21.90 2e6p s ALA 89 CO -0.00 -0.79 0.40 -0.06 0.00 0.00 0.00 175.76 175.30 2e6p s PHE 90 N -2.74 -0.62 -0.13 0.00 0.08 -1.26 -3.87 117.98 109.44 2e6p s PHE 90 Ca 0.53 1.29 -0.00 0.00 0.12 0.00 0.00 56.93 58.87 2e6p s PHE 90 Cb -0.04 0.25 0.03 0.00 -0.57 0.00 0.00 43.02 42.68 2e6p s PHE 90 CO 0.34 -0.36 -0.09 -0.06 -0.10 0.00 0.00 175.22 174.94 2e6p s PHE 91 N 1.67 1.71 -0.25 0.36 0.08 -0.36 -3.53 117.98 117.66 2e6p s PHE 91 Ca -0.08 -0.94 -0.19 0.00 0.12 0.00 0.00 56.93 55.85 2e6p s PHE 91 Cb -0.09 -1.35 -0.03 0.00 -0.57 0.00 0.00 43.02 40.99 2e6p s PHE 91 CO -0.12 -0.58 0.55 0.20 -0.10 0.00 0.00 175.22 175.17 2e6p s GLY 92 N 1.63 1.85 0.04 4.36 0.00 -1.21 -1.15 107.32 112.84 2e6p s GLY 92 Ca 0.04 -0.54 0.09 0.00 0.00 0.00 0.00 44.72 44.31 2e6p s GLY 92 CO -0.09 1.28 -0.25 0.14 0.00 0.00 0.00 173.10 174.18 2e6p s VAL 93 N 2.31 2.04 -0.14 1.40 1.01 -0.10 0.19 120.40 127.10 2e6p s VAL 93 Ca 0.23 -1.32 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 2e6p s VAL 93 Cb -0.16 -1.74 0.06 0.00 0.00 0.00 0.00 36.38 34.54 2e6p s VAL 93 CO 0.09 0.37 0.11 -0.89 0.00 0.00 0.00 175.10 174.77 2e6p s THR 94 N -0.78 -0.13 -0.38 3.92 2.01 -0.92 -2.25 115.64 117.12 2e6p s THR 94 Ca 0.11 -0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.96 2e6p s THR 94 Cb -0.10 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.93 2e6p s THR 94 CO 0.02 -0.15 0.33 -0.69 -0.69 0.00 0.00 174.62 173.44 2e6p s VAL 95 N 2.18 5.20 -0.20 3.82 1.01 -1.26 -0.61 120.40 130.55 2e6p s VAL 95 Ca 0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 2e6p s VAL 95 Cb -0.15 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 2e6p s VAL 95 CO -0.08 -0.20 0.02 -1.10 0.00 0.00 0.00 175.10 173.73 2e6p s GLN 96 N 1.89 3.72 0.31 2.72 -0.21 0.76 -4.67 119.66 124.17 2e6p s GLN 96 Ca 0.09 -0.47 -0.29 0.00 0.02 0.00 0.00 55.36 54.70 2e6p s GLN 96 Cb -0.17 -3.12 -0.10 0.00 1.00 0.00 0.00 33.01 30.62 2e6p s GLN 96 CO 0.11 0.08 1.34 0.16 -2.12 0.00 0.00 175.29 174.87 2e6p s ASP 97 N 0.83 6.73 0.38 5.90 -4.77 -1.26 -2.14 116.67 122.34 2e6p s ASP 97 Ca 0.01 2.69 -0.26 0.00 -3.30 0.00 0.00 52.55 51.69 2e6p s ASP 97 Cb -0.14 -2.64 -0.09 0.00 -1.09 0.00 0.00 42.92 38.96 2e6p s ASP 97 CO 0.02 -0.58 1.20 -2.16 0.70 0.00 0.00 175.17 174.35 2e6p s PRO 98 N -1.50 4.16 -0.38 2.11 0.04 -1.26 -4.88 135.00 133.29 2e6p s PRO 98 Ca 0.51 1.93 -0.28 0.00 0.04 0.00 0.00 61.00 63.21 2e6p s PRO 98 Cb -0.40 -2.81 0.02 0.00 0.04 0.00 0.00 34.50 31.35 2e6p s PRO 98 CO 0.51 -0.26 1.04 -1.12 0.04 0.00 0.00 177.00 177.21 2e6p s SER 99 N -0.95 6.75 0.00 6.66 0.01 -1.26 -4.90 113.70 120.01 2e6p s SER 99 Ca 0.54 0.70 0.00 0.00 1.31 0.00 0.00 55.95 58.50 2e6p s SER 99 Cb -0.33 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.38 2e6p s SER 99 CO 0.42 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.70 2e6p n GLY 100 N 4.34 4.77 3.72 3.44 0.00 -1.26 -5.15 105.19 115.06 2e6p n GLY 100 Ca 0.10 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.16 1.23 -0.48 1.61 0.04 -1.26 -4.87 135.00 127.10 2e6p s PRO 101 Ca 0.00 0.82 -0.26 0.00 0.04 0.00 0.00 61.00 61.60 2e6p s PRO 101 Cb 0.00 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.67 2e6p s PRO 101 CO 0.00 -2.26 2.39 -1.12 0.04 0.00 0.00 177.00 176.05 2e6p s SER 102 N -3.42 4.49 -1.74 6.66 0.01 -1.26 -2.95 113.70 115.49 2e6p s SER 102 Ca 0.63 1.09 -0.21 0.00 1.31 0.00 0.00 55.95 58.77 2e6p s SER 102 Cb -0.18 -2.50 0.21 0.00 0.21 0.00 0.00 66.02 63.76 2e6p s SER 102 CO 0.57 -2.84 0.60 -1.54 0.41 0.00 0.00 173.24 170.44 2e6p n SER 103 N 15.70 -2.11 0.00 2.44 3.41 -1.26 -5.35 113.62 126.45 2e6p n SER 103 Ca 0.36 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 2e6p n SER 103 Cb 0.54 -1.81 0.00 0.00 -0.26 0.00 0.00 64.21 62.68 2e6p n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49