#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ct7 s SER 2 N 0.00 -0.44 -0.08 1.61 0.15 -1.26 -5.08 113.70 108.60 2ct7 s SER 2 Ca 0.00 0.76 -0.04 0.00 0.70 0.00 0.00 55.95 57.37 2ct7 s SER 2 Cb 0.00 0.74 -0.03 0.00 -1.71 0.00 0.00 66.02 65.02 2ct7 s SER 2 CO 0.00 -0.22 -0.10 -1.20 1.20 0.00 0.00 173.24 172.92 2ct7 n SER 3 N 1.81 0.58 0.00 5.45 7.64 -1.26 -5.11 113.62 122.72 2ct7 n SER 3 Ca -0.12 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2ct7 n SER 3 Cb 0.56 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 2ct7 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ct7 n GLY 4 N 2.52 0.58 3.35 0.23 0.00 -1.26 -4.94 105.19 105.66 2ct7 n GLY 4 Ca -0.15 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 2ct7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ct7 s SER 5 N -4.00 0.04 0.16 1.61 0.15 -1.26 -5.18 113.70 105.22 2ct7 s SER 5 Ca 0.00 -0.92 -0.23 0.00 0.70 0.00 0.00 55.95 55.50 2ct7 s SER 5 Cb 0.00 0.44 0.07 0.00 -1.71 0.00 0.00 66.02 64.82 2ct7 s SER 5 CO 0.00 -0.91 0.63 -0.44 1.20 0.00 0.00 173.24 173.72 2ct7 s SER 6 N -2.99 -0.53 0.00 5.45 0.01 -1.26 -5.18 113.70 109.21 2ct7 s SER 6 Ca 0.19 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.41 2ct7 s SER 6 Cb 0.03 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.85 2ct7 s SER 6 CO 0.02 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.31 2ct7 n GLY 7 N -0.38 -0.59 3.96 3.44 0.00 -1.26 -5.16 105.19 105.20 2ct7 n GLY 7 Ca -0.15 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.67 2ct7 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ct7 s ALA 8 N -1.00 4.43 0.75 4.61 0.00 -1.26 -5.11 121.76 124.18 2ct7 s ALA 8 Ca 0.00 -1.80 -0.11 0.00 0.00 0.00 0.00 51.96 50.05 2ct7 s ALA 8 Cb 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 23.12 21.90 2ct7 s ALA 8 CO 0.00 -0.46 1.08 -1.17 0.00 0.00 0.00 175.76 175.21 2ct7 s LEU 9 N -4.37 2.88 -0.05 0.00 1.98 -1.26 -4.91 118.68 112.95 2ct7 s LEU 9 Ca 0.52 1.49 -0.01 0.00 -2.89 0.00 0.00 54.13 53.23 2ct7 s LEU 9 Cb -0.06 -4.23 -0.02 0.00 0.66 0.00 0.00 46.19 42.55 2ct7 s LEU 9 CO 0.31 -1.72 2.29 2.22 -1.89 0.00 0.00 176.35 177.56 2ct7 n PHE 10 N -3.29 0.21 -4.38 5.38 -1.74 -1.26 -4.75 117.46 107.63 2ct7 n PHE 10 Ca 0.07 -1.21 -0.41 0.00 -0.56 0.00 0.00 57.45 55.35 2ct7 n PHE 10 Cb 0.55 -0.75 -0.08 0.00 1.52 0.00 0.00 39.48 40.72 2ct7 n PHE 10 CO 0.00 0.00 0.00 -2.39 -0.56 0.00 0.00 176.76 173.81 2ct7 n HIS 11 N 1.52 -1.10 -3.35 2.97 1.44 -1.26 -4.84 115.22 110.61 2ct7 n HIS 11 Ca 0.11 0.65 0.02 0.00 -2.01 0.00 0.00 57.72 56.50 2ct7 n HIS 11 Cb 0.58 -1.75 -0.04 0.00 0.12 0.00 0.00 29.99 28.89 2ct7 n HIS 11 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2ct7 s LYS 12 N -6.90 0.21 0.34 -1.40 2.47 -1.26 -5.17 119.74 108.04 2ct7 s LYS 12 Ca 0.79 0.52 -0.10 0.00 -1.56 0.00 0.00 55.97 55.62 2ct7 s LYS 12 Cb -0.46 0.30 -0.07 0.00 -1.46 0.00 0.00 37.83 36.14 2ct7 s LYS 12 CO 0.97 -0.07 0.69 0.21 0.16 0.00 0.00 175.35 177.31 2ct7 s LYS 13 N 2.25 3.79 -0.07 4.03 2.47 -1.26 -5.03 119.74 125.92 2ct7 s LYS 13 Ca -0.02 0.38 -0.08 0.00 -1.56 0.00 0.00 55.97 54.68 2ct7 s LYS 13 Cb -0.04 -2.49 -0.04 0.00 -1.46 0.00 0.00 37.83 33.80 2ct7 s LYS 13 CO -0.17 0.10 -0.17 1.28 0.16 0.00 0.00 175.35 176.55 2ct7 n LEU 14 N -0.90 1.34 -4.57 5.43 4.77 -1.26 -4.86 117.00 116.96 2ct7 n LEU 14 Ca 0.01 0.21 -0.17 0.00 -0.03 0.00 0.00 56.01 56.03 2ct7 n LEU 14 Cb 0.54 -0.49 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 2ct7 n LEU 14 CO 0.46 -0.26 1.21 0.28 -1.33 0.00 0.00 177.39 177.76 2ct7 s THR 15 N -2.38 3.14 -0.12 -5.08 -1.32 -1.26 -4.53 115.64 104.09 2ct7 s THR 15 Ca -0.16 -0.19 -0.10 0.00 -1.21 0.00 0.00 61.69 60.03 2ct7 s THR 15 Cb 0.04 -3.79 -0.05 0.00 -1.51 0.00 0.00 72.50 67.18 2ct7 s THR 15 CO 0.22 -0.27 -0.22 -0.62 -2.21 0.00 0.00 174.62 171.52 2ct7 n GLU 16 N 8.45 0.34 -0.02 7.08 -0.58 -1.26 -4.57 120.64 130.08 2ct7 n GLU 16 Ca 0.43 0.14 0.24 0.00 -0.42 0.00 0.00 57.16 57.55 2ct7 n GLU 16 Cb 0.46 -1.09 0.71 0.00 -0.57 0.00 0.00 31.44 30.94 2ct7 n GLU 16 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2ct7 h GLY 17 N -0.62 0.00 -1.69 0.62 0.00 -2.02 -1.94 103.07 97.42 2ct7 h GLY 17 Ca -0.19 0.00 0.51 0.00 0.00 0.00 0.00 47.33 47.64 2ct7 h GLY 17 CO -0.12 0.00 1.19 1.55 0.00 0.00 0.00 176.54 179.16 2ct7 n VAL 18 N -3.79 -0.06 -3.41 4.60 3.14 -1.26 -4.69 118.33 112.86 2ct7 n VAL 18 Ca 0.12 1.45 -0.15 0.00 -2.96 0.00 0.00 64.34 62.80 2ct7 n VAL 18 Cb 0.82 -2.40 -0.04 0.00 -1.06 0.00 0.00 33.84 31.15 2ct7 n VAL 18 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2ct7 n LEU 19 N -3.97 -0.43 -0.14 6.55 4.77 -0.73 -4.70 117.00 118.35 2ct7 n LEU 19 Ca 0.40 -0.61 0.14 0.00 -0.03 0.00 0.00 56.01 55.91 2ct7 n LEU 19 Cb 1.76 -0.76 0.50 0.00 -2.33 0.00 0.00 43.42 42.60 2ct7 n LEU 19 CO 0.35 0.24 1.20 0.00 -1.33 0.00 0.00 177.39 177.85 2ct7 h MET 20 N -0.28 0.40 -6.37 3.23 -0.00 -1.86 -3.40 114.93 106.64 2ct7 h MET 20 Ca -0.32 -0.02 -0.55 0.00 -0.00 0.00 0.00 59.70 58.81 2ct7 h MET 20 Cb 0.67 -0.09 -0.02 0.00 -0.00 0.00 0.00 31.60 32.16 2ct7 h MET 20 CO 0.33 0.27 0.56 0.50 -0.00 0.00 0.00 176.91 178.57 2ct7 s ARG 21 N -5.40 4.43 0.17 -0.10 3.52 -1.26 -5.04 118.95 115.27 2ct7 s ARG 21 Ca -0.08 1.60 0.11 0.00 -0.13 0.00 0.00 55.73 57.22 2ct7 s ARG 21 Cb 0.20 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 2ct7 s ARG 21 CO 0.76 -0.28 -0.21 -0.51 -0.81 0.00 0.00 175.30 174.25 2ct7 s ASP 22 N 1.19 3.61 0.00 -2.12 1.01 -1.26 -5.10 116.67 113.99 2ct7 s ASP 22 Ca 0.55 -0.77 0.00 0.00 0.71 0.00 0.00 52.55 53.03 2ct7 s ASP 22 Cb -0.24 -0.36 0.00 0.00 1.01 0.00 0.00 42.92 43.33 2ct7 s ASP 22 CO 0.25 0.13 0.14 -0.81 0.21 0.00 0.00 175.17 175.09 2ct7 n PRO 23 N 0.37 0.00 -3.69 8.23 -0.04 -1.26 -4.85 135.00 133.75 2ct7 n PRO 23 Ca -0.13 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.03 2ct7 n PRO 23 Cb 0.55 -0.53 -0.15 0.00 -0.04 0.00 0.00 33.50 33.34 2ct7 n PRO 23 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2ct7 s LYS 24 N -0.28 0.69 -0.69 0.54 2.36 -1.26 -5.08 119.74 116.03 2ct7 s LYS 24 Ca 0.00 -1.11 -0.26 0.00 -2.55 0.00 0.00 55.97 52.05 2ct7 s LYS 24 Cb 0.00 -1.88 -0.03 0.00 -1.05 0.00 0.00 37.83 34.87 2ct7 s LYS 24 CO 0.00 -1.02 1.86 0.12 1.55 0.00 0.00 175.35 177.86 2ct7 s PHE 25 N 1.52 1.71 -0.22 4.03 5.36 -1.26 -3.94 117.98 125.18 2ct7 s PHE 25 Ca 0.11 0.72 -0.03 0.00 -0.96 0.00 0.00 56.93 56.77 2ct7 s PHE 25 Cb -0.18 -4.10 0.00 0.00 -0.34 0.00 0.00 43.02 38.40 2ct7 s PHE 25 CO -0.23 -2.17 -0.07 -1.17 -1.46 0.00 0.00 175.22 170.13 2ct7 s LEU 26 N 9.21 2.82 0.18 6.12 1.98 -0.48 -5.00 118.68 133.51 2ct7 s LEU 26 Ca 0.67 -0.51 -0.09 0.00 -2.89 0.00 0.00 54.13 51.31 2ct7 s LEU 26 Cb -0.11 -1.69 -0.01 0.00 0.66 0.00 0.00 46.19 45.04 2ct7 s LEU 26 CO 0.15 -0.04 0.29 -1.66 -1.89 0.00 0.00 176.35 173.21 2ct7 s TRP 27 N 1.43 0.47 0.45 5.38 1.48 -1.26 -3.41 118.94 123.48 2ct7 s TRP 27 Ca 0.05 -0.82 -0.23 0.00 -1.06 0.00 0.00 56.10 54.04 2ct7 s TRP 27 Cb -0.14 -0.08 -0.07 0.00 -1.16 0.00 0.00 33.47 32.01 2ct7 s TRP 27 CO -0.05 -0.74 1.17 0.00 -4.06 0.00 0.00 176.95 173.27 2ct7 n ALA 29 N -0.43 2.58 0.03 0.00 0.00 -1.26 -2.06 120.51 119.36 2ct7 n ALA 29 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2ct7 n ALA 29 Cb 0.48 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2ct7 n ALA 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ct7 n GLN 30 N -0.69 0.00 0.09 0.00 6.02 -1.26 -4.84 117.38 116.70 2ct7 n GLN 30 Ca 0.11 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.05 2ct7 n GLN 30 Cb 0.06 -0.18 0.14 0.00 1.02 0.00 0.00 30.24 31.27 2ct7 n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ct7 n SER 32 N -3.89 -3.03 -0.03 0.00 7.64 -0.88 -4.90 113.62 108.53 2ct7 n SER 32 Ca -0.02 -0.75 -0.12 0.00 1.01 0.00 0.00 58.87 58.99 2ct7 n SER 32 Cb 0.60 -4.62 -0.07 0.00 -1.01 0.00 0.00 64.21 59.11 2ct7 n SER 32 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2ct7 h PHE 33 N -1.71 -1.31 -1.03 1.43 3.04 -1.92 -3.47 116.94 111.97 2ct7 h PHE 33 Ca -0.61 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.40 2ct7 h PHE 33 Cb 1.34 0.60 0.00 0.00 2.56 0.00 0.00 35.95 40.45 2ct7 h PHE 33 CO 0.41 -0.49 0.00 0.41 -2.02 0.00 0.00 178.31 176.62 2ct7 n GLY 34 N -1.43 0.27 2.60 2.40 0.00 -1.26 -5.05 105.19 102.71 2ct7 n GLY 34 Ca -0.04 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 2ct7 n GLY 34 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2ct7 n PHE 35 N -0.20 -1.23 -4.15 1.61 1.16 -1.22 -5.06 117.46 108.38 2ct7 n PHE 35 Ca 0.00 -1.81 -0.33 0.00 -1.87 0.00 0.00 57.45 53.44 2ct7 n PHE 35 Cb 0.03 0.43 -0.16 0.00 -1.61 0.00 0.00 39.48 38.17 2ct7 n PHE 35 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2ct7 s ILE 36 N -2.72 2.12 -0.34 1.97 -1.09 -1.26 -1.39 121.20 118.48 2ct7 s ILE 36 Ca 0.22 -0.92 0.23 0.00 -2.23 0.00 0.00 60.65 57.95 2ct7 s ILE 36 Cb -0.01 -1.89 0.09 0.00 -1.58 0.00 0.00 42.46 39.08 2ct7 s ILE 36 CO 0.16 0.54 1.23 0.10 -1.23 0.00 0.00 174.94 175.74 2ct7 h TYR 37 N 7.90 0.00 -6.76 3.97 -0.00 -1.82 -3.48 116.97 116.78 2ct7 h TYR 37 Ca -0.45 0.00 -0.56 0.00 -0.00 0.00 0.00 58.73 57.73 2ct7 h TYR 37 Cb 1.14 0.00 -0.30 0.00 -0.00 0.00 0.00 36.73 37.57 2ct7 h TYR 37 CO 0.48 0.00 -0.82 0.39 -0.00 0.00 0.00 178.16 178.20 2ct7 n GLU 38 N -2.70 -0.80 -4.31 0.10 4.71 -1.26 -4.89 120.64 111.48 2ct7 n GLU 38 Ca 0.01 0.11 -0.24 0.00 -0.01 0.00 0.00 57.16 57.04 2ct7 n GLU 38 Cb 0.53 -3.92 -0.08 0.00 -1.01 0.00 0.00 31.44 26.96 2ct7 n GLU 38 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2ct7 s ARG 39 N -6.63 2.15 -0.25 3.49 3.52 -1.26 -5.05 118.95 114.91 2ct7 s ARG 39 Ca 0.55 -1.59 0.09 0.00 -0.13 0.00 0.00 55.73 54.65 2ct7 s ARG 39 Cb -0.32 -2.03 0.44 0.00 -1.56 0.00 0.00 34.95 31.48 2ct7 s ARG 39 CO 0.91 0.26 1.23 -0.85 -0.81 0.00 0.00 175.30 176.03 2ct7 n GLU 40 N -0.91 2.44 -4.19 5.12 0.28 -1.26 -5.02 120.64 117.10 2ct7 n GLU 40 Ca -0.05 -3.66 -0.17 0.00 -0.16 0.00 0.00 57.16 53.12 2ct7 n GLU 40 Cb 0.60 -1.91 -0.11 0.00 1.43 0.00 0.00 31.44 31.45 2ct7 n GLU 40 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 2ct7 s GLN 41 N -3.40 0.89 -0.03 3.44 -2.07 -1.26 -5.02 119.66 112.21 2ct7 s GLN 41 Ca 0.44 -1.09 0.00 0.00 -1.82 0.00 0.00 55.36 52.89 2ct7 s GLN 41 Cb 0.39 -0.78 0.03 0.00 -1.09 0.00 0.00 33.01 31.57 2ct7 s GLN 41 CO -0.02 0.15 1.46 1.28 -1.32 0.00 0.00 175.29 176.85 2ct7 n LEU 42 N 0.88 4.20 -3.62 2.60 4.77 -1.26 -4.66 117.00 119.91 2ct7 n LEU 42 Ca -0.18 -2.01 -0.22 0.00 -0.03 0.00 0.00 56.01 53.57 2ct7 n LEU 42 Cb 0.56 -0.78 -0.16 0.00 -2.33 0.00 0.00 43.42 40.70 2ct7 n LEU 42 CO 0.24 0.75 -0.30 -1.61 -1.33 0.00 0.00 177.39 175.15 2ct7 s GLU 43 N -0.20 0.04 0.10 3.23 2.02 -1.26 -4.53 118.70 118.10 2ct7 s GLU 43 Ca 0.03 0.18 0.06 0.00 0.02 0.00 0.00 54.97 55.27 2ct7 s GLU 43 Cb 0.03 -1.15 -0.03 0.00 0.10 0.00 0.00 34.13 33.07 2ct7 s GLU 43 CO 0.00 -0.52 -0.15 0.00 0.02 0.00 0.00 175.26 174.61 2ct7 s ALA 44 N 2.20 1.42 -0.10 5.21 0.00 -1.21 -5.02 121.76 124.27 2ct7 s ALA 44 Ca 0.04 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.83 2ct7 s ALA 44 Cb -0.14 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.89 2ct7 s ALA 44 CO -0.07 0.16 -0.14 0.99 0.00 0.00 0.00 175.76 176.70 2ct7 s THR 45 N -1.70 1.38 0.15 0.00 2.01 -1.26 -2.57 115.64 113.65 2ct7 s THR 45 Ca 0.05 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 2ct7 s THR 45 Cb -0.07 -1.27 -0.07 0.00 0.01 0.00 0.00 72.50 71.09 2ct7 s THR 45 CO 0.03 0.42 1.07 0.00 -0.69 0.00 0.00 174.62 175.44 2ct7 n PRO 47 N 2.61 0.18 -0.03 0.00 -0.04 -1.26 0.37 135.00 136.84 2ct7 n PRO 47 Ca 0.03 0.16 -0.06 0.00 -0.04 0.00 0.00 63.50 63.59 2ct7 n PRO 47 Cb 0.47 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 2ct7 n PRO 47 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2ct7 n GLN 48 N -1.31 0.13 0.06 0.54 7.27 -1.26 -4.76 117.38 118.05 2ct7 n GLN 48 Ca 0.06 0.06 -0.11 0.00 0.07 0.00 0.00 57.00 57.08 2ct7 n GLN 48 Cb 0.12 -0.72 -0.13 0.00 2.41 0.00 0.00 30.24 31.92 2ct7 n GLN 48 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2ct7 n HIS 50 N -3.38 -1.13 -4.21 0.00 8.25 0.16 -4.93 115.22 109.97 2ct7 n HIS 50 Ca -0.07 0.11 -0.32 0.00 -0.26 0.00 0.00 57.72 57.19 2ct7 n HIS 50 Cb 0.99 -3.88 -0.08 0.00 1.12 0.00 0.00 29.99 28.13 2ct7 n HIS 50 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2ct7 s GLN 51 N -5.12 2.75 -0.56 -0.41 0.74 -1.26 -4.79 119.66 111.01 2ct7 s GLN 51 Ca 0.07 -0.67 -0.22 0.00 0.05 0.00 0.00 55.36 54.58 2ct7 s GLN 51 Cb -0.03 -2.65 0.05 0.00 1.10 0.00 0.00 33.01 31.49 2ct7 s GLN 51 CO 0.08 0.60 0.84 0.99 -0.55 0.00 0.00 175.29 177.25 2ct7 s THR 52 N -1.18 4.54 0.07 -0.34 2.01 -1.26 -3.40 115.64 116.08 2ct7 s THR 52 Ca 0.22 -0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.18 2ct7 s THR 52 Cb -0.12 -4.49 -0.03 0.00 0.01 0.00 0.00 72.50 67.87 2ct7 s THR 52 CO 0.14 -1.09 -0.20 0.72 -0.69 0.00 0.00 174.62 173.50 2ct7 s PHE 53 N 3.53 1.70 0.68 4.92 -0.71 -1.06 -1.58 117.98 125.45 2ct7 s PHE 53 Ca 0.24 -0.39 -0.17 0.00 -1.04 0.00 0.00 56.93 55.56 2ct7 s PHE 53 Cb -0.16 -0.98 -0.01 0.00 -1.21 0.00 0.00 43.02 40.67 2ct7 s PHE 53 CO 0.15 0.13 1.06 0.00 -1.34 0.00 0.00 175.22 175.21 2ct7 n VAL 55 N -2.20 0.28 0.00 0.00 0.24 -1.26 -2.95 118.33 112.44 2ct7 n VAL 55 Ca 0.14 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 2ct7 n VAL 55 Cb 0.49 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 2ct7 n VAL 55 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2ct7 n ARG 56 N -2.17 0.00 0.22 7.34 1.74 -1.26 -4.52 116.66 118.01 2ct7 n ARG 56 Ca 0.01 0.18 0.09 0.00 -0.77 0.00 0.00 57.85 57.36 2ct7 n ARG 56 Cb 0.47 -0.60 0.47 0.00 -1.02 0.00 0.00 32.46 31.78 2ct7 n ARG 56 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ct7 n LYS 58 N -3.52 -4.84 -4.46 0.00 4.76 -1.15 -5.02 118.16 103.93 2ct7 n LYS 58 Ca -0.00 0.55 -0.22 0.00 -2.87 0.00 0.00 58.31 55.76 2ct7 n LYS 58 Cb 0.41 -4.72 -0.11 0.00 -1.84 0.00 0.00 35.03 28.78 2ct7 n LYS 58 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2ct7 s ARG 59 N -5.42 1.64 -0.33 1.97 1.70 -1.26 -4.20 118.95 113.06 2ct7 s ARG 59 Ca 0.21 -1.89 -0.37 0.00 -0.47 0.00 0.00 55.73 53.21 2ct7 s ARG 59 Cb -0.09 -1.06 -0.13 0.00 -0.57 0.00 0.00 34.95 33.10 2ct7 s ARG 59 CO 0.48 -0.09 2.06 0.94 -1.08 0.00 0.00 175.30 177.61 2ct7 n GLN 60 N -0.68 1.06 -1.36 3.89 7.27 -1.26 -1.38 117.38 124.92 2ct7 n GLN 60 Ca -0.04 0.33 -0.36 0.00 0.07 0.00 0.00 57.00 57.00 2ct7 n GLN 60 Cb 0.65 -2.29 0.08 0.00 2.41 0.00 0.00 30.24 31.09 2ct7 n GLN 60 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00 2ct7 n TRP 61 N 8.31 0.47 -3.81 3.69 -0.00 -0.62 -4.80 117.44 120.68 2ct7 n TRP 61 Ca 0.38 0.39 -0.12 0.00 -0.00 0.00 0.00 57.50 58.14 2ct7 n TRP 61 Cb 0.18 -2.06 -0.11 0.00 -0.00 0.00 0.00 31.31 29.32 2ct7 n TRP 61 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 2ct7 s GLU 62 N -3.21 0.32 0.15 5.87 2.56 -1.26 -4.97 118.70 118.16 2ct7 s GLU 62 Ca 0.72 0.17 -0.26 0.00 0.00 0.00 0.00 54.97 55.60 2ct7 s GLU 62 Cb -0.35 0.15 0.00 0.00 2.00 0.00 0.00 34.13 35.93 2ct7 s GLU 62 CO 0.51 -0.05 1.58 0.93 -0.56 0.00 0.00 175.26 177.67 2ct7 h GLU 63 N 5.46 -0.33 -0.83 4.30 5.08 -2.01 -0.06 114.58 126.19 2ct7 h GLU 63 Ca -0.27 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.27 2ct7 h GLU 63 Cb 1.19 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 30.42 2ct7 h GLU 63 CO 0.38 -0.22 0.41 1.96 -1.00 0.00 0.00 179.01 180.53 2ct7 h GLN 64 N -0.34 0.56 -0.51 2.33 1.08 -2.00 0.18 115.11 116.41 2ct7 h GLN 64 Ca 0.13 -0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.40 2ct7 h GLN 64 Cb 0.58 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 2ct7 h GLN 64 CO -0.53 0.37 0.35 1.25 -0.95 0.00 0.00 178.83 179.31 2ct7 h HIS 65 N 0.57 0.28 -0.58 2.96 2.76 -1.34 -0.34 115.15 119.46 2ct7 h HIS 65 Ca 0.46 0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.76 2ct7 h HIS 65 Cb 0.67 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.51 2ct7 h HIS 65 CO -0.11 0.13 0.40 0.07 -1.30 0.00 0.00 177.93 177.12 2ct7 h ARG 66 N 0.26 0.22 -0.53 5.26 -0.00 -0.04 0.81 114.38 120.36 2ct7 h ARG 66 Ca 0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 60.20 2ct7 h ARG 66 Cb 0.59 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 30.51 2ct7 h ARG 66 CO -0.05 0.14 0.00 0.41 -0.00 0.00 0.00 179.97 180.47 2ct7 n GLY 67 N -1.57 2.95 3.18 0.08 0.00 -0.16 -4.98 105.19 104.68 2ct7 n GLY 67 Ca 0.10 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 2ct7 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ct7 n ARG 68 N 0.78 0.56 -3.42 1.61 1.74 0.28 -5.09 116.66 113.12 2ct7 n ARG 68 Ca 0.22 -2.92 -0.21 0.00 -0.77 0.00 0.00 57.85 54.17 2ct7 n ARG 68 Cb 0.78 2.61 0.01 0.00 -1.02 0.00 0.00 32.46 34.85 2ct7 n ARG 68 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2ct7 s SER 69 N -3.16 5.03 0.43 0.55 1.04 -1.26 -4.81 113.70 111.52 2ct7 s SER 69 Ca 0.33 -0.88 0.11 0.00 0.48 0.00 0.00 55.95 55.99 2ct7 s SER 69 Cb 0.00 -0.03 0.97 0.00 0.10 0.00 0.00 66.02 67.07 2ct7 s SER 69 CO 0.23 -1.01 2.02 0.00 0.98 0.00 0.00 173.24 175.46 2ct7 h GLU 71 N 0.45 -0.04 -0.99 0.00 4.81 -2.01 -3.21 114.58 113.60 2ct7 h GLU 71 Ca 0.21 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.63 2ct7 h GLU 71 Cb 0.27 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.56 2ct7 h GLU 71 CO -0.06 -0.03 0.61 -0.44 -0.73 0.00 0.00 179.01 178.37 2ct7 h ASP 72 N -0.49 0.74 0.10 1.04 5.19 -1.95 -1.88 116.42 119.16 2ct7 h ASP 72 Ca -0.00 0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.51 2ct7 h ASP 72 Cb 0.03 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.45 2ct7 h ASP 72 CO 0.01 0.28 -0.36 0.15 -3.12 0.00 0.00 179.24 176.20 2ct7 h PHE 73 N 0.73 -0.99 -0.41 4.55 3.57 -0.35 -2.26 116.94 121.78 2ct7 h PHE 73 Ca 0.55 0.03 0.08 0.00 3.53 0.00 0.00 57.97 62.16 2ct7 h PHE 73 Cb 0.91 0.42 -0.09 0.00 2.79 0.00 0.00 35.95 39.98 2ct7 h PHE 73 CO -0.00 -0.46 -0.26 0.37 -2.23 0.00 0.00 178.31 175.72 2ct7 h GLN 74 N -0.58 -0.18 -1.01 1.11 4.15 -1.34 0.15 115.11 117.41 2ct7 h GLN 74 Ca 0.03 0.01 0.24 0.00 0.77 0.00 0.00 58.65 59.71 2ct7 h GLN 74 Cb 0.61 0.04 -0.09 0.00 0.21 0.00 0.00 27.48 28.25 2ct7 h GLN 74 CO -0.22 -0.12 0.65 -0.91 -1.93 0.00 0.00 178.83 176.29 2ct7 h ASN 75 N -0.19 0.50 0.66 -0.69 2.35 -1.29 0.60 115.58 117.51 2ct7 h ASN 75 Ca 0.19 0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.90 2ct7 h ASN 75 Cb 0.49 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 2ct7 h ASN 75 CO -0.52 0.13 -0.56 -0.25 -1.65 0.00 0.00 177.43 174.57 2ct7 h TRP 76 N 0.46 0.00 -0.09 1.19 7.01 -0.17 -2.37 115.95 121.97 2ct7 h TRP 76 Ca 0.58 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.52 2ct7 h TRP 76 Cb 1.36 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.42 2ct7 h TRP 76 CO -0.00 0.56 -0.17 0.87 -2.79 0.00 0.00 178.44 176.91 2ct7 h LYS 77 N 0.00 0.28 -0.23 2.65 1.79 0.11 0.13 116.57 121.30 2ct7 h LYS 77 Ca -0.01 -0.18 -0.07 0.00 -2.18 0.00 0.00 60.65 58.22 2ct7 h LYS 77 Cb 1.04 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.70 2ct7 h LYS 77 CO 0.07 0.76 -0.17 0.07 -1.08 0.00 0.00 179.45 179.11 2ct7 h ARG 78 N -0.18 0.40 0.02 3.15 0.11 -1.27 0.65 114.38 117.26 2ct7 h ARG 78 Ca 0.00 -0.12 -0.00 0.00 0.10 0.00 0.00 59.98 59.96 2ct7 h ARG 78 Cb 0.75 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.79 2ct7 h ARG 78 CO 0.04 0.57 -0.01 0.52 0.10 0.00 0.00 179.97 181.19 2ct7 h MET 79 N 0.37 -0.02 0.19 0.08 2.86 -1.41 -3.40 114.93 113.59 2ct7 h MET 79 Ca 0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2ct7 h MET 79 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2ct7 h MET 79 CO 0.03 0.74 -0.09 -0.91 1.06 0.00 0.00 176.91 177.74 2ct7 h ASN 80 N -0.87 -0.21 -3.45 1.22 2.35 -0.71 -3.46 115.58 110.45 2ct7 h ASN 80 Ca -0.00 0.01 -0.43 0.00 -0.55 0.00 0.00 56.30 55.32 2ct7 h ASN 80 Cb 0.77 0.06 0.19 0.00 0.05 0.00 0.00 38.32 39.39 2ct7 h ASN 80 CO 0.00 0.09 0.07 -0.55 -1.65 0.00 0.00 177.43 175.39 2ct7 s SER 81 N -4.32 1.31 0.00 5.81 0.15 0.22 -4.80 113.70 112.08 2ct7 s SER 81 Ca -0.04 1.27 0.00 0.00 0.70 0.00 0.00 55.95 57.88 2ct7 s SER 81 Cb 0.00 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 2ct7 s SER 81 CO 0.11 -3.96 0.00 0.61 1.20 0.00 0.00 173.24 171.20 2ct7 n GLY 82 N 0.07 0.66 0.23 9.45 0.00 -1.26 -4.62 105.19 109.72 2ct7 n GLY 82 Ca 0.05 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 2ct7 n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ct7 h PRO 83 N 0.00 0.80 -6.89 1.61 0.13 -1.97 -3.45 132.00 122.23 2ct7 h PRO 83 Ca 0.00 -0.42 -0.39 0.00 -0.87 0.00 0.00 66.00 64.32 2ct7 h PRO 83 Cb 0.00 0.01 0.21 0.00 0.13 0.00 0.00 31.00 31.36 2ct7 h PRO 83 CO 0.00 1.05 -0.25 0.45 -0.23 0.00 0.00 178.00 179.02 2ct7 n SER 84 N -4.19 -2.90 -4.61 1.44 2.88 -1.26 -5.05 113.62 99.93 2ct7 n SER 84 Ca -0.03 -0.46 -0.28 0.00 -1.33 0.00 0.00 58.87 56.77 2ct7 n SER 84 Cb 0.50 -1.08 -0.10 0.00 -0.75 0.00 0.00 64.21 62.78 2ct7 n SER 84 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ct7 s SER 85 N -2.52 3.68 0.00 -3.46 1.04 -1.26 -5.08 113.70 106.10 2ct7 s SER 85 Ca 0.64 -1.45 0.09 0.00 0.48 0.00 0.00 55.95 55.70 2ct7 s SER 85 Cb -0.17 -0.10 0.07 0.00 0.10 0.00 0.00 66.02 65.91 2ct7 s SER 85 CO 0.60 -0.59 0.77 0.61 0.98 0.00 0.00 173.24 175.61