#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ct7 n SER 2 N 0.00 3.74 -4.27 1.61 7.64 -1.26 -5.00 113.62 116.09 2ct7 n SER 2 Ca 0.00 1.22 -0.33 0.00 1.01 0.00 0.00 58.87 60.77 2ct7 n SER 2 Cb 0.00 -1.61 -0.15 0.00 -1.01 0.00 0.00 64.21 61.43 2ct7 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ct7 s SER 3 N -0.08 3.59 0.16 6.43 1.04 -1.26 -5.02 113.70 118.55 2ct7 s SER 3 Ca 0.54 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.51 2ct7 s SER 3 Cb -0.48 -1.54 -0.00 0.00 0.10 0.00 0.00 66.02 64.09 2ct7 s SER 3 CO 0.62 0.11 0.04 0.61 0.98 0.00 0.00 173.24 175.60 2ct7 n GLY 4 N 3.90 3.83 3.40 7.32 0.00 -1.26 -5.09 105.19 117.30 2ct7 n GLY 4 Ca -0.19 -2.05 -0.45 0.00 0.00 0.00 0.00 46.02 43.33 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 -1.93 6.72 -0.14 1.61 0.15 -1.26 -5.01 113.70 113.83 2ct7 s SER 5 Ca 0.06 -2.37 -0.02 0.00 0.70 0.00 0.00 55.95 54.32 2ct7 s SER 5 Cb 0.00 -2.32 -0.02 0.00 -1.71 0.00 0.00 66.02 61.97 2ct7 s SER 5 CO 0.04 -0.85 -0.08 -0.94 1.20 0.00 0.00 173.24 172.62 2ct7 s SER 6 N 2.99 4.46 0.00 5.45 1.04 -1.26 -5.08 113.70 121.30 2ct7 s SER 6 Ca 0.28 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2ct7 s SER 6 Cb -0.07 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.34 2ct7 s SER 6 CO -0.09 0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.91 2ct7 n GLY 7 N 3.53 1.69 3.75 7.32 0.00 -1.26 -5.19 105.19 115.03 2ct7 n GLY 7 Ca -0.18 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.00 -0.64 0.26 4.61 0.00 -1.26 -5.14 121.76 117.59 2ct7 s ALA 8 Ca 0.00 -0.72 -0.31 0.00 0.00 0.00 0.00 51.96 50.94 2ct7 s ALA 8 Cb 0.00 0.85 -0.12 0.00 0.00 0.00 0.00 23.12 23.85 2ct7 s ALA 8 CO 0.00 -0.96 1.54 -0.11 0.00 0.00 0.00 175.76 176.23 2ct7 n LEU 9 N -0.49 3.80 -0.18 0.00 0.00 -1.26 -4.87 117.00 114.00 2ct7 n LEU 9 Ca -0.05 1.13 -0.05 0.00 0.00 0.00 0.00 56.01 57.05 2ct7 n LEU 9 Cb 0.60 -1.52 -0.04 0.00 0.00 0.00 0.00 43.42 42.46 2ct7 n LEU 9 CO 0.22 -0.11 0.30 2.22 0.00 0.00 0.00 177.39 180.03 2ct7 n PHE 10 N 2.27 -0.19 -3.53 1.96 -1.74 -1.26 -4.74 117.46 110.23 2ct7 n PHE 10 Ca 0.11 0.53 -0.08 0.00 -0.56 0.00 0.00 57.45 57.45 2ct7 n PHE 10 Cb 0.34 -0.47 -0.02 0.00 1.52 0.00 0.00 39.48 40.85 2ct7 n PHE 10 CO 0.00 0.00 0.00 -1.01 -0.56 0.00 0.00 176.76 175.19 2ct7 s HIS 11 N -4.58 -0.33 0.32 2.97 3.76 -1.26 -5.15 115.29 111.03 2ct7 s HIS 11 Ca -0.05 0.17 -0.16 0.00 -0.15 0.00 0.00 55.06 54.87 2ct7 s HIS 11 Cb 0.05 0.55 -0.12 0.00 1.11 0.00 0.00 32.58 34.17 2ct7 s HIS 11 CO 0.26 -0.58 0.03 1.63 -0.85 0.00 0.00 174.74 175.23 2ct7 n LYS 12 N -0.27 0.00 -0.62 1.40 4.76 -1.26 -4.71 118.16 117.45 2ct7 n LYS 12 Ca -0.09 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.31 2ct7 n LYS 12 Cb 0.62 -0.76 -0.01 0.00 -1.84 0.00 0.00 35.03 33.04 2ct7 n LYS 12 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2ct7 n LYS 13 N 1.05 1.24 -3.84 1.97 3.00 -1.26 -4.80 118.16 115.52 2ct7 n LYS 13 Ca 0.08 -0.40 -0.11 0.00 -0.00 0.00 0.00 58.31 57.89 2ct7 n LYS 13 Cb 0.32 -1.20 -0.08 0.00 0.00 0.00 0.00 35.03 34.06 2ct7 n LYS 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2ct7 s LEU 14 N -0.37 1.31 0.04 3.14 1.43 -1.26 -5.14 118.68 117.83 2ct7 s LEU 14 Ca 0.11 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 2ct7 s LEU 14 Cb 0.07 0.99 -0.05 0.00 0.03 0.00 0.00 46.19 47.23 2ct7 s LEU 14 CO -0.00 -0.55 1.18 0.28 0.23 0.00 0.00 176.35 177.48 2ct7 s THR 15 N -2.50 4.14 -0.25 5.49 -1.32 -1.26 -4.94 115.64 115.00 2ct7 s THR 15 Ca -0.06 1.53 -0.03 0.00 -1.21 0.00 0.00 61.69 61.92 2ct7 s THR 15 Cb -0.01 -3.98 -0.17 0.00 -1.51 0.00 0.00 72.50 66.83 2ct7 s THR 15 CO -0.03 0.10 -0.18 -0.62 -2.21 0.00 0.00 174.62 171.68 2ct7 n GLU 16 N 4.08 0.65 -0.65 7.08 -0.58 -1.26 -4.46 120.64 125.50 2ct7 n GLU 16 Ca 0.09 0.20 -0.05 0.00 -0.42 0.00 0.00 57.16 56.98 2ct7 n GLU 16 Cb 0.47 -1.54 -0.07 0.00 -0.57 0.00 0.00 31.44 29.73 2ct7 n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ct7 n GLY 17 N 2.00 2.54 0.07 0.62 0.00 -1.26 -3.75 105.19 105.41 2ct7 n GLY 17 Ca -0.46 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.17 2ct7 n GLY 17 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2ct7 n VAL 18 N 1.97 1.67 -0.61 1.61 3.14 -1.26 -4.78 118.33 120.08 2ct7 n VAL 18 Ca 0.17 -1.97 -0.04 0.00 -2.96 0.00 0.00 64.34 59.53 2ct7 n VAL 18 Cb 0.62 -0.09 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 2ct7 n VAL 18 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ct7 n LEU 19 N -1.23 5.61 -0.27 6.55 -0.00 -1.25 -4.50 117.00 121.91 2ct7 n LEU 19 Ca 0.13 -2.64 0.06 0.00 -0.00 0.00 0.00 56.01 53.55 2ct7 n LEU 19 Cb 0.57 -1.12 0.20 0.00 -0.00 0.00 0.00 43.42 43.08 2ct7 n LEU 19 CO 0.01 1.08 1.05 0.00 -0.00 0.00 0.00 177.39 179.53 2ct7 h MET 20 N 1.17 0.50 -1.68 1.47 -0.00 -1.94 0.12 114.93 114.57 2ct7 h MET 20 Ca 0.07 -0.03 -0.17 0.00 -0.00 0.00 0.00 59.70 59.57 2ct7 h MET 20 Cb 0.99 -0.11 -0.08 0.00 -0.00 0.00 0.00 31.60 32.40 2ct7 h MET 20 CO 0.19 0.33 0.22 -2.13 -0.00 0.00 0.00 176.91 175.52 2ct7 n ARG 21 N -4.95 1.43 -3.54 -0.10 0.63 -1.26 -4.81 116.66 104.06 2ct7 n ARG 21 Ca 0.15 -0.85 -0.12 0.00 -0.92 0.00 0.00 57.85 56.11 2ct7 n ARG 21 Cb 0.43 -1.33 -0.05 0.00 0.45 0.00 0.00 32.46 31.96 2ct7 n ARG 21 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2ct7 s ASP 22 N 0.95 -0.45 -0.02 6.15 1.01 0.03 -5.09 116.67 119.26 2ct7 s ASP 22 Ca 0.17 0.37 -0.17 0.00 0.71 0.00 0.00 52.55 53.63 2ct7 s ASP 22 Cb 0.13 0.39 -0.10 0.00 1.01 0.00 0.00 42.92 44.36 2ct7 s ASP 22 CO 0.00 -0.50 0.78 1.55 0.21 0.00 0.00 175.17 177.21 2ct7 h PRO 23 N 2.52 -0.60 -0.25 8.23 0.13 -1.87 -3.47 132.00 136.68 2ct7 h PRO 23 Ca -0.22 0.04 0.26 0.00 -0.87 0.00 0.00 66.00 65.21 2ct7 h PRO 23 Cb 1.18 0.14 -0.23 0.00 0.13 0.00 0.00 31.00 32.22 2ct7 h PRO 23 CO 0.33 -0.40 0.28 0.21 -0.23 0.00 0.00 178.00 178.19 2ct7 s LYS 24 N -3.64 0.11 -0.80 0.86 2.36 -1.26 -5.03 119.74 112.34 2ct7 s LYS 24 Ca -0.09 0.22 -0.26 0.00 -2.55 0.00 0.00 55.97 53.29 2ct7 s LYS 24 Cb 0.01 0.13 0.02 0.00 -1.05 0.00 0.00 37.83 36.94 2ct7 s LYS 24 CO 0.27 -0.10 1.45 0.12 1.55 0.00 0.00 175.35 178.65 2ct7 s PHE 25 N 2.74 2.21 -0.24 4.03 5.36 -1.26 -4.02 117.98 126.81 2ct7 s PHE 25 Ca -0.04 -0.06 -0.05 0.00 -0.96 0.00 0.00 56.93 55.82 2ct7 s PHE 25 Cb -0.07 -4.52 -0.01 0.00 -0.34 0.00 0.00 43.02 38.08 2ct7 s PHE 25 CO -0.11 -2.06 0.01 -1.17 -1.46 0.00 0.00 175.22 170.43 2ct7 s LEU 26 N 6.36 3.24 0.19 6.12 1.98 -0.04 -4.97 118.68 131.56 2ct7 s LEU 26 Ca 0.45 -0.45 -0.07 0.00 -2.89 0.00 0.00 54.13 51.17 2ct7 s LEU 26 Cb -0.07 -1.80 -0.02 0.00 0.66 0.00 0.00 46.19 44.96 2ct7 s LEU 26 CO 0.09 -0.07 0.28 -1.66 -1.89 0.00 0.00 176.35 173.10 2ct7 s TRP 27 N 1.50 0.62 1.24 5.38 1.48 -1.26 -3.49 118.94 124.41 2ct7 s TRP 27 Ca 0.05 -0.95 -0.16 0.00 -1.06 0.00 0.00 56.10 53.99 2ct7 s TRP 27 Cb -0.15 -0.15 0.31 0.00 -1.16 0.00 0.00 33.47 32.31 2ct7 s TRP 27 CO -0.01 -0.76 1.00 0.00 -4.06 0.00 0.00 176.95 173.13 2ct7 n ALA 29 N -5.10 3.64 -0.03 0.00 0.00 -1.26 -3.82 120.51 113.94 2ct7 n ALA 29 Ca 0.05 -0.50 -0.04 0.00 0.00 0.00 0.00 53.44 52.95 2ct7 n ALA 29 Cb 0.56 -0.68 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.80 0.24 -0.12 0.00 1.13 -1.26 -4.72 117.38 110.85 2ct7 n GLN 30 Ca 0.00 0.10 -0.11 0.00 -1.94 0.00 0.00 57.00 55.05 2ct7 n GLN 30 Cb 0.40 -0.87 0.02 0.00 0.11 0.00 0.00 30.24 29.89 2ct7 n GLN 30 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ct7 n SER 32 N -4.09 -2.93 -4.57 0.00 2.88 -1.25 -4.92 113.62 98.74 2ct7 n SER 32 Ca -0.01 -0.27 -0.38 0.00 -1.33 0.00 0.00 58.87 56.88 2ct7 n SER 32 Cb 0.49 -2.38 -0.02 0.00 -0.75 0.00 0.00 64.21 61.54 2ct7 n SER 32 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2ct7 s PHE 33 N -3.15 2.48 -0.84 0.66 2.19 -1.26 -4.84 117.98 113.22 2ct7 s PHE 33 Ca 0.09 -0.85 -0.23 0.00 0.33 0.00 0.00 56.93 56.28 2ct7 s PHE 33 Cb -0.01 -4.54 -0.20 0.00 -1.31 0.00 0.00 43.02 36.96 2ct7 s PHE 33 CO 0.30 -1.72 2.42 0.41 1.83 0.00 0.00 175.22 178.45 2ct7 n GLY 34 N 5.97 -0.26 3.41 13.12 0.00 -1.26 -4.41 105.19 121.75 2ct7 n GLY 34 Ca 0.43 0.52 -0.10 0.00 0.00 0.00 0.00 46.02 46.88 2ct7 n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ct7 s PHE 35 N 8.62 0.52 0.14 1.61 -0.12 -1.23 -5.05 117.98 122.47 2ct7 s PHE 35 Ca 1.16 -0.85 0.05 0.00 -0.05 0.00 0.00 56.93 57.24 2ct7 s PHE 35 Cb -0.64 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 41.66 2ct7 s PHE 35 CO 0.36 -0.81 0.11 0.42 -0.05 0.00 0.00 175.22 175.26 2ct7 s ILE 36 N -4.02 4.43 -0.01 -4.49 -1.09 -1.26 -0.86 121.20 113.90 2ct7 s ILE 36 Ca 0.23 -1.02 0.01 0.00 -2.23 0.00 0.00 60.65 57.64 2ct7 s ILE 36 Cb 0.02 -3.22 -0.01 0.00 -1.58 0.00 0.00 42.46 37.67 2ct7 s ILE 36 CO 0.05 -0.04 -0.00 0.00 -1.23 0.00 0.00 174.94 173.72 2ct7 n TYR 37 N -0.10 0.00 -3.48 3.97 4.11 -1.26 -4.89 117.16 115.52 2ct7 n TYR 37 Ca -0.09 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.67 2ct7 n TYR 37 Cb 0.54 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.34 39.80 2ct7 n TYR 37 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2ct7 n GLU 38 N -2.25 -0.87 -4.58 -3.48 1.02 -1.26 -4.86 120.64 104.35 2ct7 n GLU 38 Ca -0.02 -0.12 -0.32 0.00 -0.02 0.00 0.00 57.16 56.67 2ct7 n GLU 38 Cb 0.53 -0.86 -0.06 0.00 -0.02 0.00 0.00 31.44 31.04 2ct7 n GLU 38 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ct7 n ARG 39 N -2.39 0.72 -0.12 3.49 1.74 -1.26 -5.08 116.66 113.76 2ct7 n ARG 39 Ca -0.09 -3.75 -0.21 0.00 -0.77 0.00 0.00 57.85 53.04 2ct7 n ARG 39 Cb 0.23 0.89 -0.12 0.00 -1.02 0.00 0.00 32.46 32.45 2ct7 n ARG 39 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2ct7 n GLU 40 N -1.40 0.64 -2.46 5.56 -0.58 -1.26 -4.96 120.64 116.18 2ct7 n GLU 40 Ca -0.18 0.19 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 2ct7 n GLU 40 Cb 0.66 -1.53 -0.03 0.00 -0.57 0.00 0.00 31.44 29.96 2ct7 n GLU 40 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 2ct7 s GLN 41 N -2.52 4.19 0.45 3.49 -2.07 -1.26 -4.93 119.66 117.02 2ct7 s GLN 41 Ca -0.35 1.64 0.30 0.00 -1.82 0.00 0.00 55.36 55.14 2ct7 s GLN 41 Cb 0.10 -2.66 1.26 0.00 -1.09 0.00 0.00 33.01 30.62 2ct7 s GLN 41 CO 0.59 -0.15 1.90 -0.07 -1.32 0.00 0.00 175.29 176.24 2ct7 h LEU 42 N 2.70 0.00 -9.13 2.60 3.38 -1.97 -3.43 115.31 109.47 2ct7 h LEU 42 Ca -0.48 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.92 2ct7 h LEU 42 Cb 1.22 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 2ct7 h LEU 42 CO 0.63 0.00 0.95 -1.61 0.09 0.00 0.00 178.44 178.50 2ct7 s GLU 43 N -3.56 4.16 -0.15 1.13 8.01 -1.26 -3.20 118.70 123.82 2ct7 s GLU 43 Ca 0.02 1.66 0.02 0.00 0.01 0.00 0.00 54.97 56.68 2ct7 s GLU 43 Cb 0.09 -3.82 0.01 0.00 -4.31 0.00 0.00 34.13 26.10 2ct7 s GLU 43 CO 0.49 -0.82 -0.20 0.00 0.01 0.00 0.00 175.26 174.74 2ct7 s ALA 44 N 3.79 2.23 -0.23 5.21 0.00 -1.14 -4.97 121.76 126.65 2ct7 s ALA 44 Ca 0.58 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.31 2ct7 s ALA 44 Cb -0.22 -1.06 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 2ct7 s ALA 44 CO 0.18 -0.17 0.22 0.99 0.00 0.00 0.00 175.76 176.98 2ct7 s THR 45 N 1.04 5.32 0.16 0.00 2.01 -1.26 -2.52 115.64 120.39 2ct7 s THR 45 Ca -0.02 0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 2ct7 s THR 45 Cb -0.14 -3.56 -0.07 0.00 0.01 0.00 0.00 72.50 68.74 2ct7 s THR 45 CO -0.07 0.33 1.16 0.00 -0.69 0.00 0.00 174.62 175.35 2ct7 n PRO 47 N 2.72 0.49 0.04 0.00 -0.04 -1.26 -0.10 135.00 136.84 2ct7 n PRO 47 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2ct7 n PRO 47 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.00 0.00 0.07 0.54 7.27 -1.26 -4.83 117.38 118.18 2ct7 n GLN 48 Ca 0.12 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 57.06 2ct7 n GLN 48 Cb 0.05 -0.49 -0.13 0.00 2.41 0.00 0.00 30.24 32.08 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 -3.42 -1.90 -4.32 0.00 -0.00 0.86 -4.93 115.22 101.51 2ct7 n HIS 50 Ca -0.07 0.66 -0.32 0.00 0.46 0.00 0.00 57.72 58.45 2ct7 n HIS 50 Cb 1.00 -3.68 -0.09 0.00 -0.12 0.00 0.00 29.99 27.09 2ct7 n HIS 50 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 2ct7 s GLN 51 N -5.84 2.68 -0.68 1.57 0.74 -1.26 -4.75 119.66 112.12 2ct7 s GLN 51 Ca 0.38 -0.68 -0.21 0.00 0.05 0.00 0.00 55.36 54.91 2ct7 s GLN 51 Cb -0.17 -2.60 0.09 0.00 1.10 0.00 0.00 33.01 31.44 2ct7 s GLN 51 CO 0.47 0.61 0.90 0.99 -0.55 0.00 0.00 175.29 177.71 2ct7 s THR 52 N -1.08 4.57 0.11 -0.34 2.01 -1.26 -3.18 115.64 116.46 2ct7 s THR 52 Ca 0.19 -0.78 0.10 0.00 0.31 0.00 0.00 61.69 61.51 2ct7 s THR 52 Cb -0.11 -4.63 -0.04 0.00 0.01 0.00 0.00 72.50 67.73 2ct7 s THR 52 CO 0.10 -1.35 -0.25 0.72 -0.69 0.00 0.00 174.62 173.15 2ct7 s PHE 53 N 3.34 2.17 0.57 4.92 -0.71 -1.05 -1.47 117.98 125.75 2ct7 s PHE 53 Ca 0.20 -0.39 -0.21 0.00 -1.04 0.00 0.00 56.93 55.49 2ct7 s PHE 53 Cb -0.17 -1.20 -0.04 0.00 -1.21 0.00 0.00 43.02 40.39 2ct7 s PHE 53 CO 0.06 0.27 1.29 0.00 -1.34 0.00 0.00 175.22 175.49 2ct7 n VAL 55 N -1.25 0.00 0.00 0.00 0.24 -1.19 -2.93 118.33 113.20 2ct7 n VAL 55 Ca 0.12 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2ct7 n VAL 55 Cb 0.45 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 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 -0.43 0.00 0.23 7.34 1.74 -1.26 -4.67 116.66 119.60 2ct7 n ARG 56 Ca 0.12 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.35 2ct7 n ARG 56 Cb 0.37 -0.30 0.53 0.00 -1.02 0.00 0.00 32.46 32.05 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 -2.89 -5.94 -4.46 0.00 4.01 -1.15 -5.02 118.16 102.71 2ct7 n LYS 58 Ca 0.02 0.66 -0.24 0.00 -0.51 0.00 0.00 58.31 58.23 2ct7 n LYS 58 Cb 0.34 -5.15 -0.10 0.00 -0.51 0.00 0.00 35.03 29.62 2ct7 n LYS 58 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 2ct7 s ARG 59 N -5.95 1.81 -0.31 1.97 1.70 -1.26 -4.69 118.95 112.22 2ct7 s ARG 59 Ca 0.43 -1.77 -0.39 0.00 -0.47 0.00 0.00 55.73 53.54 2ct7 s ARG 59 Cb -0.19 -1.81 -0.14 0.00 -0.57 0.00 0.00 34.95 32.23 2ct7 s ARG 59 CO 0.53 0.27 1.93 0.94 -1.08 0.00 0.00 175.30 177.90 2ct7 n GLN 60 N -0.72 1.08 -1.37 3.89 7.27 -1.26 -1.14 117.38 125.14 2ct7 n GLN 60 Ca -0.05 0.36 -0.35 0.00 0.07 0.00 0.00 57.00 57.03 2ct7 n GLN 60 Cb 0.61 -2.19 0.10 0.00 2.41 0.00 0.00 30.24 31.16 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 7.05 1.22 -3.81 3.69 -0.00 -0.54 -4.80 117.44 120.25 2ct7 n TRP 61 Ca 0.33 0.41 -0.13 0.00 -0.00 0.00 0.00 57.50 58.11 2ct7 n TRP 61 Cb 0.15 -2.14 -0.12 0.00 -0.00 0.00 0.00 31.31 29.20 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 -3.62 0.19 0.40 5.87 2.56 -1.26 -4.96 118.70 117.88 2ct7 s GLU 62 Ca 0.76 0.25 0.19 0.00 0.00 0.00 0.00 54.97 56.17 2ct7 s GLU 62 Cb -0.34 0.08 1.12 0.00 2.00 0.00 0.00 34.13 36.99 2ct7 s GLU 62 CO 0.48 -0.03 1.77 0.93 -0.56 0.00 0.00 175.26 177.84 2ct7 h GLU 63 N 5.97 0.37 -0.16 4.30 3.07 -2.01 0.46 114.58 126.59 2ct7 h GLU 63 Ca -0.26 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.43 2ct7 h GLU 63 Cb 1.19 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 2ct7 h GLU 63 CO 0.40 0.24 -0.51 1.96 -1.40 0.00 0.00 179.01 179.71 2ct7 h GLN 64 N 0.38 0.44 -0.08 2.33 1.08 -2.00 -2.95 115.11 114.31 2ct7 h GLN 64 Ca 0.60 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.51 2ct7 h GLN 64 Cb 1.53 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.98 2ct7 h GLN 64 CO -0.29 0.85 -0.07 1.25 -0.95 0.00 0.00 178.83 179.62 2ct7 h HIS 65 N 0.35 0.12 -0.11 2.96 2.76 -0.41 -3.04 115.15 117.77 2ct7 h HIS 65 Ca 0.01 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.21 2ct7 h HIS 65 Cb 1.02 -0.04 -0.06 0.00 1.55 0.00 0.00 27.41 29.88 2ct7 h HIS 65 CO 0.03 0.19 -0.51 0.00 -1.30 0.00 0.00 177.93 176.34 2ct7 h ARG 66 N 0.12 -0.55 -0.97 5.26 3.08 -1.28 0.12 114.38 120.16 2ct7 h ARG 66 Ca 0.03 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2ct7 h ARG 66 Cb 0.20 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2ct7 h ARG 66 CO 0.01 -0.37 0.01 0.41 -1.07 0.00 0.00 179.97 178.96 2ct7 n GLY 67 N -1.44 1.78 2.54 0.04 0.00 -1.15 -4.83 105.19 102.12 2ct7 n GLY 67 Ca -0.06 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 0.12 0.50 -4.22 1.61 1.74 0.43 -5.08 116.66 111.76 2ct7 n ARG 68 Ca 0.04 -2.18 -0.29 0.00 -0.77 0.00 0.00 57.85 54.64 2ct7 n ARG 68 Cb 0.41 2.05 -0.03 0.00 -1.02 0.00 0.00 32.46 33.87 2ct7 n ARG 68 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2ct7 s SER 69 N -2.67 4.44 0.52 0.55 0.01 -1.26 -4.84 113.70 110.45 2ct7 s SER 69 Ca 0.23 -1.40 0.17 0.00 1.31 0.00 0.00 55.95 56.26 2ct7 s SER 69 Cb -0.00 0.45 1.28 0.00 0.21 0.00 0.00 66.02 67.96 2ct7 s SER 69 CO 0.17 -1.00 2.13 0.00 0.41 0.00 0.00 173.24 174.94 2ct7 h GLU 71 N 0.01 0.00 -0.90 0.00 4.81 -2.01 -3.25 114.58 113.24 2ct7 h GLU 71 Ca 0.04 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.42 2ct7 h GLU 71 Cb 0.13 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.43 2ct7 h GLU 71 CO -0.00 0.00 0.58 -0.44 -0.73 0.00 0.00 179.01 178.42 2ct7 h ASP 72 N -0.56 0.62 -0.14 1.04 5.19 -1.95 -1.61 116.42 119.02 2ct7 h ASP 72 Ca 0.00 0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.49 2ct7 h ASP 72 Cb 0.07 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 2ct7 h ASP 72 CO 0.00 0.30 -0.08 0.15 -3.12 0.00 0.00 179.24 176.48 2ct7 h PHE 73 N 0.65 -0.20 -0.17 4.55 3.57 -0.42 -2.27 116.94 122.65 2ct7 h PHE 73 Ca 0.46 0.02 0.04 0.00 3.53 0.00 0.00 57.97 62.02 2ct7 h PHE 73 Cb 0.81 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 2ct7 h PHE 73 CO -0.00 -0.13 -0.10 0.37 -2.23 0.00 0.00 178.31 176.22 2ct7 h GLN 74 N -0.08 -0.09 -0.89 1.11 5.75 -1.33 -0.92 115.11 118.66 2ct7 h GLN 74 Ca 0.08 0.01 0.21 0.00 -0.15 0.00 0.00 58.65 58.80 2ct7 h GLN 74 Cb 0.20 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.71 2ct7 h GLN 74 CO -0.19 -0.06 0.60 -0.91 -2.65 0.00 0.00 178.83 175.62 2ct7 h ASN 75 N -0.09 0.32 0.67 -0.69 2.35 -1.24 0.42 115.58 117.32 2ct7 h ASN 75 Ca 0.10 0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 2ct7 h ASN 75 Cb 0.24 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 2ct7 h ASN 75 CO -0.23 0.13 -0.60 -0.25 -1.65 0.00 0.00 177.43 174.82 2ct7 h TRP 76 N 0.32 0.00 -0.06 1.19 7.01 -0.61 -2.64 115.95 121.16 2ct7 h TRP 76 Ca 0.46 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.42 2ct7 h TRP 76 Cb 1.26 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.32 2ct7 h TRP 76 CO -0.00 0.60 -0.09 0.87 -2.79 0.00 0.00 178.44 177.03 2ct7 h LYS 77 N 0.00 0.16 -0.29 2.65 1.79 0.41 0.21 116.57 121.50 2ct7 h LYS 77 Ca -0.01 -0.10 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 2ct7 h LYS 77 Cb 1.10 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.74 2ct7 h LYS 77 CO 0.08 0.66 0.03 0.07 -1.08 0.00 0.00 179.45 179.21 2ct7 h ARG 78 N -0.33 0.43 0.01 3.15 0.11 -1.38 1.02 114.38 117.39 2ct7 h ARG 78 Ca 0.00 -0.07 -0.02 0.00 0.10 0.00 0.00 59.98 59.99 2ct7 h ARG 78 Cb 0.65 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.66 2ct7 h ARG 78 CO 0.02 0.43 -0.09 0.52 0.10 0.00 0.00 179.97 180.95 2ct7 h MET 79 N 0.42 0.04 0.16 0.08 2.86 -1.45 -3.40 114.93 113.63 2ct7 h MET 79 Ca 0.10 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2ct7 h MET 79 Cb 0.23 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.91 2ct7 h MET 79 CO 0.00 0.98 -0.07 -0.91 1.06 0.00 0.00 176.91 177.96 2ct7 h ASN 80 N -0.86 -0.18 -4.07 1.22 2.35 -0.48 -3.46 115.58 110.10 2ct7 h ASN 80 Ca -0.02 0.01 -0.49 0.00 -0.55 0.00 0.00 56.30 55.25 2ct7 h ASN 80 Cb 1.02 0.05 0.05 0.00 0.05 0.00 0.00 38.32 39.49 2ct7 h ASN 80 CO 0.02 0.17 0.41 -0.55 -1.65 0.00 0.00 177.43 175.83 2ct7 s SER 81 N -4.60 6.04 0.91 5.81 0.15 0.35 -5.00 113.70 117.37 2ct7 s SER 81 Ca -0.03 2.07 -0.10 0.00 0.70 0.00 0.00 55.95 58.59 2ct7 s SER 81 Cb 0.00 -2.57 0.15 0.00 -1.71 0.00 0.00 66.02 61.89 2ct7 s SER 81 CO 0.09 -0.99 1.15 -0.83 1.20 0.00 0.00 173.24 173.86 2ct7 s GLY 82 N -1.84 1.71 0.01 9.45 0.00 -1.26 -4.36 107.32 111.02 2ct7 s GLY 82 Ca 0.70 0.61 -0.23 0.00 0.00 0.00 0.00 44.72 45.80 2ct7 s GLY 82 CO 0.24 1.03 1.30 -0.56 0.00 0.00 0.00 173.10 175.12 2ct7 h PRO 83 N -1.86 0.18 -2.65 2.90 0.13 -1.92 -3.47 132.00 125.31 2ct7 h PRO 83 Ca -0.43 -0.09 0.06 0.00 -0.87 0.00 0.00 66.00 64.67 2ct7 h PRO 83 Cb 1.27 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.29 2ct7 h PRO 83 CO 0.41 0.61 0.35 -1.54 -0.23 0.00 0.00 178.00 177.61 2ct7 s SER 84 N -5.91 -0.41 -0.76 1.44 1.04 -1.26 -4.97 113.70 102.87 2ct7 s SER 84 Ca -0.15 -0.13 -0.19 0.00 0.48 0.00 0.00 55.95 55.96 2ct7 s SER 84 Cb 0.03 0.52 0.12 0.00 0.10 0.00 0.00 66.02 66.80 2ct7 s SER 84 CO 0.71 -0.88 0.93 -0.44 0.98 0.00 0.00 173.24 174.54 2ct7 s SER 85 N -2.70 6.42 0.00 7.02 0.01 -1.26 -4.86 113.70 118.33 2ct7 s SER 85 Ca 0.05 -1.71 0.00 0.00 1.31 0.00 0.00 55.95 55.60 2ct7 s SER 85 Cb -0.02 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2ct7 s SER 85 CO -0.07 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.08