#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctl s SER 2 N 0.00 5.20 0.18 1.61 0.01 -1.26 -5.14 113.70 114.30 2ctl s SER 2 Ca 0.00 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2ctl s SER 2 Cb 0.00 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 2ctl s SER 2 CO 0.00 -1.20 0.05 -0.44 0.41 0.00 0.00 173.24 172.06 2ctl s SER 3 N -4.54 0.81 -0.32 2.44 0.01 -1.26 -5.12 113.70 105.72 2ctl s SER 3 Ca 0.60 -1.25 -0.07 0.00 1.31 0.00 0.00 55.95 56.54 2ctl s SER 3 Cb -0.08 0.21 0.23 0.00 0.21 0.00 0.00 66.02 66.59 2ctl s SER 3 CO 0.38 -0.68 1.16 0.61 0.41 0.00 0.00 173.24 175.12 2ctl n GLY 4 N -0.24 -1.83 3.14 3.44 0.00 -1.26 -5.13 105.19 103.31 2ctl n GLY 4 Ca -0.04 1.32 -0.54 0.00 0.00 0.00 0.00 46.02 46.77 2ctl n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ctl n SER 5 N 2.35 0.15 -3.50 1.61 7.64 -1.26 -4.93 113.62 115.68 2ctl n SER 5 Ca 0.09 1.04 0.01 0.00 1.01 0.00 0.00 58.87 61.01 2ctl n SER 5 Cb 0.67 -0.81 -0.05 0.00 -1.01 0.00 0.00 64.21 63.00 2ctl n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ctl s SER 6 N 0.39 -0.33 -0.59 6.43 0.15 -1.26 -5.12 113.70 113.38 2ctl s SER 6 Ca 0.83 0.49 -0.05 0.00 0.70 0.00 0.00 55.95 57.92 2ctl s SER 6 Cb -1.16 1.25 0.15 0.00 -1.71 0.00 0.00 66.02 64.55 2ctl s SER 6 CO 0.54 -0.07 0.42 -0.83 1.20 0.00 0.00 173.24 174.50 2ctl s GLY 7 N 1.67 2.37 -0.02 9.45 0.00 -1.26 -5.06 107.32 114.47 2ctl s GLY 7 Ca -0.05 -3.04 -0.30 0.00 0.00 0.00 0.00 44.72 41.33 2ctl s GLY 7 CO -0.14 1.11 1.70 1.85 0.00 0.00 0.00 173.10 177.61 2ctl s GLU 8 N 0.37 4.18 0.85 2.90 2.12 -1.26 -4.99 118.70 122.88 2ctl s GLU 8 Ca 0.14 2.27 -0.12 0.00 0.36 0.00 0.00 54.97 57.62 2ctl s GLU 8 Cb -0.20 -3.96 0.10 0.00 0.26 0.00 0.00 34.13 30.33 2ctl s GLU 8 CO -0.04 -0.84 1.14 -0.65 -0.54 0.00 0.00 175.26 174.33 2ctl s GLN 9 N 3.89 1.64 -0.51 4.30 -1.52 -1.26 -5.01 119.66 121.19 2ctl s GLN 9 Ca 0.76 0.29 0.04 0.00 -1.95 0.00 0.00 55.36 54.50 2ctl s GLN 9 Cb -0.36 -1.90 0.40 0.00 -0.22 0.00 0.00 33.01 30.93 2ctl s GLN 9 CO 0.32 -1.85 1.16 -0.85 -0.25 0.00 0.00 175.29 173.81 2ctl n GLU 10 N -3.53 3.39 0.31 2.91 0.28 -1.26 -4.87 120.64 117.87 2ctl n GLU 10 Ca 0.07 -4.51 -0.17 0.00 -0.16 0.00 0.00 57.16 52.39 2ctl n GLU 10 Cb 0.59 -2.25 -0.08 0.00 1.43 0.00 0.00 31.44 31.12 2ctl n GLU 10 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2ctl h ASP 11 N 2.72 -0.93 -1.49 -1.84 3.32 -1.99 -1.86 116.42 114.35 2ctl h ASP 11 Ca 0.29 0.06 0.45 0.00 0.02 0.00 0.00 57.03 57.85 2ctl h ASP 11 Cb 0.76 0.29 -0.08 0.00 0.22 0.00 0.00 39.33 40.51 2ctl h ASP 11 CO 0.89 -0.55 1.04 -2.11 -1.72 0.00 0.00 179.24 176.79 2ctl n ARG 12 N -5.49 -0.01 -0.02 3.56 1.85 -1.26 0.15 116.66 115.44 2ctl n ARG 12 Ca -0.12 0.96 -0.20 0.00 -1.00 0.00 0.00 57.85 57.49 2ctl n ARG 12 Cb 0.39 -2.09 -0.13 0.00 -1.05 0.00 0.00 32.46 29.57 2ctl n ARG 12 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ctl h ALA 13 N 1.01 0.14 -0.41 2.89 0.00 -1.77 -3.21 119.26 117.90 2ctl h ALA 13 Ca 0.77 -0.98 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2ctl h ALA 13 Cb 2.90 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 21.04 2ctl h ALA 13 CO -0.14 0.63 0.09 -0.07 0.00 0.00 0.00 179.25 179.76 2ctl h LEU 14 N -0.53 0.02 -1.86 0.00 3.38 0.22 -0.16 115.31 116.38 2ctl h LEU 14 Ca -0.25 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2ctl h LEU 14 Cb 1.56 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 2ctl h LEU 14 CO 0.01 0.05 -0.14 0.08 0.09 0.00 0.00 178.44 178.53 2ctl h ARG 15 N 0.22 0.00 -1.09 1.13 0.11 -1.15 -2.25 114.38 111.36 2ctl h ARG 15 Ca 0.20 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.96 2ctl h ARG 15 Cb 0.23 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 31.14 2ctl h ARG 15 CO -0.25 0.14 0.41 0.43 0.10 0.00 0.00 179.97 180.79 2ctl n SER 16 N -3.81 4.11 -4.59 0.08 7.64 -0.08 -3.63 113.62 113.33 2ctl n SER 16 Ca -0.02 -2.98 -0.41 0.00 1.01 0.00 0.00 58.87 56.46 2ctl n SER 16 Cb 0.24 -0.77 -0.06 0.00 -1.01 0.00 0.00 64.21 62.61 2ctl n SER 16 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2ctl s PHE 17 N -1.96 3.19 -0.24 1.43 2.19 -0.84 -4.99 117.98 116.75 2ctl s PHE 17 Ca 0.34 0.51 -0.11 0.00 0.33 0.00 0.00 56.93 58.00 2ctl s PHE 17 Cb 0.28 -3.06 -0.05 0.00 -1.31 0.00 0.00 43.02 38.88 2ctl s PHE 17 CO 0.05 -0.54 0.18 0.21 1.83 0.00 0.00 175.22 176.95 2ctl s LYS 18 N 2.67 4.06 0.20 10.12 2.20 -1.26 -2.99 119.74 134.72 2ctl s LYS 18 Ca 0.25 -0.25 0.09 0.00 -0.36 0.00 0.00 55.97 55.69 2ctl s LYS 18 Cb -0.15 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 2ctl s LYS 18 CO 0.13 0.02 -0.05 -1.17 -0.36 0.00 0.00 175.35 173.92 2ctl s LEU 19 N 1.17 3.10 -0.11 5.43 2.96 0.56 -4.94 118.68 126.85 2ctl s LEU 19 Ca 0.08 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.42 2ctl s LEU 19 Cb -0.14 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.84 2ctl s LEU 19 CO 0.06 0.08 0.03 -0.44 -1.32 0.00 0.00 176.35 174.75 2ctl s SER 20 N -3.02 1.93 -0.26 3.68 0.01 -1.25 -0.99 113.70 113.80 2ctl s SER 20 Ca 0.27 -0.30 -0.17 0.00 1.31 0.00 0.00 55.95 57.06 2ctl s SER 20 Cb -0.08 -0.41 -0.03 0.00 0.21 0.00 0.00 66.02 65.70 2ctl s SER 20 CO 0.17 -0.25 0.45 -0.69 0.41 0.00 0.00 173.24 173.34 2ctl s VAL 21 N 1.99 5.12 -0.84 3.43 1.01 -0.49 -4.79 120.40 125.83 2ctl s VAL 21 Ca 0.03 0.76 -0.25 0.00 0.00 0.00 0.00 61.98 62.52 2ctl s VAL 21 Cb -0.14 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.50 2ctl s VAL 21 CO -0.06 0.13 1.38 -0.89 0.00 0.00 0.00 175.10 175.66 2ctl s THR 22 N 2.10 3.77 -0.05 3.92 2.01 -1.26 -1.56 115.64 124.58 2ctl s THR 22 Ca 0.19 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.13 2ctl s THR 22 Cb -0.16 -4.91 0.03 0.00 0.01 0.00 0.00 72.50 67.48 2ctl s THR 22 CO 0.09 -1.83 0.09 -0.69 -0.69 0.00 0.00 174.62 171.59 2ctl s VAL 23 N 5.69 -0.08 0.33 3.82 1.01 0.82 -5.03 120.40 126.97 2ctl s VAL 23 Ca 0.41 0.23 -0.24 0.00 0.00 0.00 0.00 61.98 62.38 2ctl s VAL 23 Cb -0.05 -0.17 -0.15 0.00 0.00 0.00 0.00 36.38 36.01 2ctl s VAL 23 CO 0.06 0.10 0.40 0.47 0.00 0.00 0.00 175.10 176.13 2ctl n ASP 24 N 4.37 -1.57 0.00 3.32 8.00 -1.26 -4.23 116.55 125.18 2ctl n ASP 24 Ca -0.24 0.97 0.06 0.00 0.71 0.00 0.00 54.79 56.30 2ctl n ASP 24 Cb 0.51 -0.99 0.38 0.00 -0.02 0.00 0.00 41.12 41.00 2ctl n ASP 24 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2ctl n PRO 25 N 1.01 0.49 0.06 -0.24 -0.04 -1.25 -2.85 135.00 132.18 2ctl n PRO 25 Ca 0.14 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.38 2ctl n PRO 25 Cb 0.34 -1.41 -0.15 0.00 -0.04 0.00 0.00 33.50 32.25 2ctl n PRO 25 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2ctl h LYS 26 N 0.00 0.34 0.00 0.54 2.10 -1.89 -3.32 116.57 114.34 2ctl h LYS 26 Ca 0.00 -0.58 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 2ctl h LYS 26 Cb 0.00 0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2ctl h LYS 26 CO 0.00 1.28 -0.15 1.88 -2.00 0.00 0.00 179.45 180.46 2ctl h TYR 27 N -0.24 0.00 -0.27 0.07 0.05 -1.88 -3.36 116.97 111.34 2ctl h TYR 27 Ca -0.21 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.61 2ctl h TYR 27 Cb 1.79 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 39.45 2ctl h TYR 27 CO 0.17 0.00 -0.54 0.45 -1.05 0.00 0.00 178.16 177.18 2ctl h HIS 28 N 0.00 -1.64 0.00 4.88 3.86 -1.65 0.33 115.15 120.93 2ctl h HIS 28 Ca 0.00 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2ctl h HIS 28 Cb 0.81 0.75 0.00 0.00 1.06 0.00 0.00 27.41 30.03 2ctl h HIS 28 CO 0.00 -0.51 0.00 -0.35 0.86 0.00 0.00 177.93 177.93 2ctl n PRO 29 N -5.36 0.19 0.03 2.45 -0.04 -1.26 -2.12 135.00 128.90 2ctl n PRO 29 Ca -0.05 0.16 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 2ctl n PRO 29 Cb 0.35 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 2ctl n PRO 29 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2ctl n LYS 30 N -1.30 0.64 -0.00 0.54 4.76 0.92 -4.36 118.16 119.35 2ctl n LYS 30 Ca 0.07 0.01 -0.21 0.00 -2.87 0.00 0.00 58.31 55.30 2ctl n LYS 30 Cb 0.12 -1.68 -0.14 0.00 -1.84 0.00 0.00 35.03 31.49 2ctl n LYS 30 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2ctl h ILE 31 N 0.00 1.04 -0.90 -0.18 2.04 -0.29 -3.37 117.51 115.85 2ctl h ILE 31 Ca -0.08 -2.38 0.19 0.00 1.00 0.00 0.00 64.86 63.59 2ctl h ILE 31 Cb 1.22 2.70 -0.17 0.00 -0.74 0.00 0.00 36.82 39.83 2ctl h ILE 31 CO 0.01 0.68 -0.16 0.40 0.00 0.00 0.00 178.15 179.08 2ctl h ILE 32 N -0.36 0.11 0.00 -0.67 2.04 -1.72 -3.33 117.51 113.58 2ctl h ILE 32 Ca -0.30 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.56 2ctl h ILE 32 Cb 1.72 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2ctl h ILE 32 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.80 2ctl n GLY 33 N -1.55 3.22 0.33 5.37 0.00 -1.26 -2.08 105.19 109.22 2ctl n GLY 33 Ca 0.15 -1.79 0.01 0.00 0.00 0.00 0.00 46.02 44.40 2ctl n GLY 33 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ctl h ARG 34 N 0.00 -0.03 0.00 1.61 2.47 -1.90 -2.73 114.38 113.80 2ctl h ARG 34 Ca 0.00 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 2ctl h ARG 34 Cb 0.00 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 2ctl h ARG 34 CO 0.00 -0.02 -1.70 0.36 0.56 0.00 0.00 179.97 179.17 2ctl n LYS 35 N -5.52 0.87 0.00 0.04 2.85 -1.26 -5.01 118.16 110.13 2ctl n LYS 35 Ca 0.11 -0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 2ctl n LYS 35 Cb 0.41 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 2ctl n LYS 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ctl n GLY 36 N 1.87 1.87 0.11 2.58 0.00 -1.03 -5.03 105.19 105.56 2ctl n GLY 36 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 2ctl n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctl n ALA 37 N -0.49 1.27 0.16 4.61 0.00 -1.25 -3.75 120.51 121.07 2ctl n ALA 37 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 53.44 52.47 2ctl n ALA 37 Cb 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 2ctl n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ctl h VAL 38 N 0.03 0.19 -0.80 0.00 2.07 -1.85 -0.38 116.25 115.50 2ctl h VAL 38 Ca -0.41 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 2ctl h VAL 38 Cb 2.04 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 2ctl h VAL 38 CO 0.06 0.00 0.48 -0.29 0.02 0.00 0.00 177.57 177.84 2ctl h ILE 39 N -0.70 1.22 0.32 4.57 6.09 -1.53 -2.89 117.51 124.59 2ctl h ILE 39 Ca 0.00 -0.49 -0.00 0.00 -1.37 0.00 0.00 64.86 63.00 2ctl h ILE 39 Cb 0.68 0.09 -0.02 0.00 0.47 0.00 0.00 36.82 38.05 2ctl h ILE 39 CO -0.17 0.23 -0.27 0.74 -3.07 0.00 0.00 178.15 175.61 2ctl h THR 40 N 1.11 0.42 -0.34 2.19 2.02 -1.50 -1.25 112.91 115.56 2ctl h THR 40 Ca 0.29 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.54 2ctl h THR 40 Cb -0.05 0.42 -0.08 0.00 -1.74 0.00 0.00 68.15 66.70 2ctl h THR 40 CO -0.05 0.00 -0.29 -0.61 0.37 0.00 0.00 175.52 174.94 2ctl h GLN 41 N -0.61 -0.24 -0.74 6.66 5.75 -0.91 -0.63 115.11 124.38 2ctl h GLN 41 Ca -0.02 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.60 2ctl h GLN 41 Cb 0.54 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.07 2ctl h GLN 41 CO -0.03 -0.16 0.37 0.82 -2.65 0.00 0.00 178.83 177.19 2ctl h ILE 42 N -0.25 0.83 0.52 2.39 2.04 -1.34 0.22 117.51 121.93 2ctl h ILE 42 Ca 0.16 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2ctl h ILE 42 Cb 0.51 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2ctl h ILE 42 CO -0.48 0.11 -0.43 0.03 0.00 0.00 0.00 178.15 177.38 2ctl h ARG 43 N 0.61 -0.90 -0.86 2.37 3.08 0.08 -2.57 114.38 116.20 2ctl h ARG 43 Ca 0.37 0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.53 2ctl h ARG 43 Cb 0.42 0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.62 2ctl h ARG 43 CO -0.29 -0.60 0.54 -0.07 -1.07 0.00 0.00 179.97 178.49 2ctl h LEU 44 N -0.93 0.88 -0.68 3.04 3.38 -1.02 0.98 115.31 120.96 2ctl h LEU 44 Ca -0.07 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.03 2ctl h LEU 44 Cb 0.78 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.22 2ctl h LEU 44 CO -0.00 0.59 -0.28 -0.08 0.09 0.00 0.00 178.44 178.76 2ctl h GLU 45 N 1.03 -0.08 -0.02 1.13 4.57 -0.30 0.90 114.58 121.80 2ctl h GLU 45 Ca 0.36 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 2ctl h GLU 45 Cb 0.08 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2ctl h GLU 45 CO -0.14 -0.06 -0.16 0.72 -1.18 0.00 0.00 179.01 178.20 2ctl n HIS 46 N -5.46 0.00 -3.35 0.92 8.25 -0.99 -4.97 115.22 109.62 2ctl n HIS 46 Ca 0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.35 2ctl n HIS 46 Cb 0.37 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.54 2ctl n HIS 46 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2ctl n ASP 47 N 0.62 -3.35 -4.37 0.41 2.03 0.31 -4.82 116.55 107.39 2ctl n ASP 47 Ca 0.13 -0.53 -0.19 0.00 0.52 0.00 0.00 54.79 54.72 2ctl n ASP 47 Cb 0.51 -4.64 -0.10 0.00 -0.72 0.00 0.00 41.12 36.17 2ctl n ASP 47 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2ctl s VAL 48 N -3.31 1.32 -0.12 5.18 -7.23 0.40 -4.84 120.40 111.79 2ctl s VAL 48 Ca 0.18 -2.08 -0.03 0.00 -1.81 0.00 0.00 61.98 58.24 2ctl s VAL 48 Cb -0.08 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 2ctl s VAL 48 CO 0.66 -0.35 0.01 0.21 -0.31 0.00 0.00 175.10 175.31 2ctl s ASN 49 N -3.36 5.22 -0.18 4.85 2.47 -0.91 -4.40 114.94 118.64 2ctl s ASN 49 Ca 0.28 0.08 -0.00 0.00 0.42 0.00 0.00 52.86 53.63 2ctl s ASN 49 Cb 0.04 -1.64 0.04 0.00 -1.45 0.00 0.00 41.25 38.25 2ctl s ASN 49 CO 0.09 0.30 -0.05 -0.63 -3.72 0.00 0.00 177.10 173.09 2ctl s ILE 50 N -0.38 1.17 -0.06 -5.21 1.01 -1.26 -2.00 121.20 114.47 2ctl s ILE 50 Ca 0.07 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.05 2ctl s ILE 50 Cb -0.12 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 2ctl s ILE 50 CO 0.02 0.10 -0.19 -1.58 0.00 0.00 0.00 174.94 173.29 2ctl s GLN 51 N 1.60 2.62 0.06 2.79 2.00 -0.49 -5.03 119.66 123.21 2ctl s GLN 51 Ca -0.00 -0.79 0.02 0.00 -2.00 0.00 0.00 55.36 52.58 2ctl s GLN 51 Cb -0.16 -2.31 -0.04 0.00 0.80 0.00 0.00 33.01 31.31 2ctl s GLN 51 CO -0.08 0.46 0.12 -0.06 -0.50 0.00 0.00 175.29 175.23 2ctl s PHE 52 N -0.34 3.30 0.78 1.67 0.40 -1.26 -2.10 117.98 120.43 2ctl s PHE 52 Ca 0.02 0.14 -0.11 0.00 -0.60 0.00 0.00 56.93 56.39 2ctl s PHE 52 Cb -0.12 -1.67 0.06 0.00 0.51 0.00 0.00 43.02 41.79 2ctl s PHE 52 CO 0.02 0.55 1.09 -1.25 0.70 0.00 0.00 175.22 176.33 2ctl s PRO 53 N -2.35 2.19 -0.12 0.24 0.04 -1.26 -5.01 135.00 128.73 2ctl s PRO 53 Ca 0.30 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 2ctl s PRO 53 Cb -0.12 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2ctl s PRO 53 CO 0.23 -1.69 -0.09 0.34 0.04 0.00 0.00 177.00 175.84 2ctl s ASP 54 N -3.40 4.43 0.40 6.66 2.15 -1.26 -4.98 116.67 120.67 2ctl s ASP 54 Ca 0.61 -0.19 0.19 0.00 0.43 0.00 0.00 52.55 53.60 2ctl s ASP 54 Cb -0.17 -1.54 0.81 0.00 -0.30 0.00 0.00 42.92 41.72 2ctl s ASP 54 CO 0.56 0.22 1.81 0.07 -0.17 0.00 0.00 175.17 177.65 2ctl h LYS 55 N 6.33 0.00 -0.95 4.34 5.09 -1.96 -3.00 116.57 126.41 2ctl h LYS 55 Ca -0.33 0.00 0.04 0.00 0.09 0.00 0.00 60.65 60.44 2ctl h LYS 55 Cb 1.19 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 33.47 2ctl h LYS 55 CO 0.57 0.34 0.62 0.22 -2.09 0.00 0.00 179.45 179.11 2ctl h ASP 56 N 0.00 1.03 0.00 7.07 3.58 -2.00 -3.24 116.42 122.86 2ctl h ASP 56 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2ctl h ASP 56 Cb 0.76 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2ctl h ASP 56 CO 0.04 0.70 0.00 -0.67 -2.88 0.00 0.00 179.24 176.43 2ctl n ASP 57 N -4.49 0.00 0.00 2.28 2.03 -1.14 -4.95 116.55 110.29 2ctl n ASP 57 Ca 0.13 0.81 0.00 0.00 0.52 0.00 0.00 54.79 56.25 2ctl n ASP 57 Cb 0.10 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 2ctl n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ctl n GLY 58 N -0.06 2.00 0.30 0.27 0.00 -1.23 -4.79 105.19 101.68 2ctl n GLY 58 Ca 0.00 -0.63 0.22 0.00 0.00 0.00 0.00 46.02 45.61 2ctl n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ctl n ASN 59 N 3.52 0.13 -4.83 1.61 5.03 -1.26 -4.34 115.26 115.11 2ctl n ASN 59 Ca 0.00 1.51 -0.32 0.00 0.87 0.00 0.00 54.58 56.64 2ctl n ASN 59 Cb 0.00 -0.65 -0.03 0.00 -1.02 0.00 0.00 39.78 38.07 2ctl n ASN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ctl s GLN 60 N -5.60 3.89 0.17 3.52 -2.07 -1.26 -5.01 119.66 113.30 2ctl s GLN 60 Ca -0.10 1.03 -0.30 0.00 -1.82 0.00 0.00 55.36 54.17 2ctl s GLN 60 Cb 0.29 -2.12 -0.08 0.00 -1.09 0.00 0.00 33.01 30.00 2ctl s GLN 60 CO 0.70 -0.33 1.32 -1.25 -1.32 0.00 0.00 175.29 174.42 2ctl s PRO 61 N -3.92 4.38 0.04 9.60 0.04 -1.26 -4.93 135.00 138.95 2ctl s PRO 61 Ca 0.60 2.04 0.23 0.00 0.04 0.00 0.00 61.00 63.92 2ctl s PRO 61 Cb -0.11 -3.22 0.08 0.00 0.04 0.00 0.00 34.50 31.30 2ctl s PRO 61 CO 0.29 -0.29 1.06 1.04 0.04 0.00 0.00 177.00 179.14 2ctl n GLN 62 N 3.01 0.24 0.00 4.56 1.13 -1.26 -3.95 117.38 121.11 2ctl n GLN 62 Ca 0.07 -0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.24 2ctl n GLN 62 Cb 0.43 -1.58 -0.03 0.00 0.11 0.00 0.00 30.24 29.16 2ctl n GLN 62 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2ctl n ASP 63 N -1.89 0.82 -4.74 1.08 5.68 -1.26 -3.86 116.55 112.37 2ctl n ASP 63 Ca 0.02 -0.73 -0.38 0.00 -0.50 0.00 0.00 54.79 53.21 2ctl n ASP 63 Cb 0.42 0.88 -0.06 0.00 -1.14 0.00 0.00 41.12 41.21 2ctl n ASP 63 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2ctl s GLN 64 N -3.04 4.26 -0.31 0.11 -1.52 -1.25 -0.12 119.66 117.78 2ctl s GLN 64 Ca 0.08 0.36 -0.05 0.00 -1.95 0.00 0.00 55.36 53.80 2ctl s GLN 64 Cb 0.16 -3.40 0.03 0.00 -0.22 0.00 0.00 33.01 29.58 2ctl s GLN 64 CO 0.83 0.25 0.05 0.42 -0.25 0.00 0.00 175.29 176.59 2ctl s ILE 65 N 0.34 3.47 0.31 1.08 1.01 -0.60 -4.22 121.20 122.59 2ctl s ILE 65 Ca 0.23 -1.11 -0.28 0.00 0.00 0.00 0.00 60.65 59.49 2ctl s ILE 65 Cb -0.15 -2.91 -0.09 0.00 0.01 0.00 0.00 42.46 39.31 2ctl s ILE 65 CO 0.09 -0.06 1.12 0.42 0.00 0.00 0.00 174.94 176.52 2ctl s THR 66 N 1.37 3.39 -0.16 2.92 -4.23 -0.89 -1.40 115.64 116.63 2ctl s THR 66 Ca -0.02 1.33 -0.06 0.00 -1.18 0.00 0.00 61.69 61.76 2ctl s THR 66 Cb -0.19 -3.82 0.07 0.00 1.34 0.00 0.00 72.50 69.91 2ctl s THR 66 CO 0.01 0.27 0.35 -0.63 -0.54 0.00 0.00 174.62 174.07 2ctl s ILE 67 N -1.24 -0.47 0.13 2.99 1.01 -0.16 -1.40 121.20 122.06 2ctl s ILE 67 Ca 0.48 0.21 0.04 0.00 0.00 0.00 0.00 60.65 61.38 2ctl s ILE 67 Cb -0.32 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2ctl s ILE 67 CO 0.41 0.09 0.11 -0.89 0.00 0.00 0.00 174.94 174.65 2ctl s THR 68 N 2.36 4.48 -4.54 2.92 2.01 -0.84 -0.32 115.64 121.70 2ctl s THR 68 Ca -0.02 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.02 2ctl s THR 68 Cb -0.12 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.16 2ctl s THR 68 CO -0.11 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 2ctl n GLY 69 N -0.02 0.94 3.70 4.40 0.00 -1.16 -2.13 105.19 110.92 2ctl n GLY 69 Ca -0.08 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 2ctl n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ctl s TYR 70 N -1.68 2.45 0.46 1.61 2.02 -1.26 -3.94 117.35 117.02 2ctl s TYR 70 Ca 0.00 0.18 0.33 0.00 -0.37 0.00 0.00 57.07 57.20 2ctl s TYR 70 Cb 0.00 -4.11 1.46 0.00 -0.40 0.00 0.00 41.96 38.91 2ctl s TYR 70 CO 0.00 -4.45 1.64 1.49 -1.57 0.00 0.00 175.55 172.66 2ctl h GLU 71 N 7.97 0.08 0.27 -0.62 4.81 -1.90 0.49 114.58 125.68 2ctl h GLU 71 Ca -0.44 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 2ctl h GLU 71 Cb 1.21 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2ctl h GLU 71 CO 0.94 0.05 -0.13 0.87 -0.73 0.00 0.00 179.01 180.02 2ctl h LYS 72 N 0.08 -0.35 0.49 1.92 1.79 -1.95 -3.14 116.57 115.42 2ctl h LYS 72 Ca 0.81 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 59.29 2ctl h LYS 72 Cb 2.66 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 33.38 2ctl h LYS 72 CO -0.33 -0.15 -0.38 -0.91 -1.08 0.00 0.00 179.45 176.60 2ctl h ASN 73 N -1.06 -1.00 -0.99 0.86 2.35 -1.32 -2.38 115.58 112.04 2ctl h ASN 73 Ca -0.04 0.07 0.18 0.00 -0.55 0.00 0.00 56.30 55.97 2ctl h ASN 73 Cb 0.36 0.32 -0.18 0.00 0.05 0.00 0.00 38.32 38.87 2ctl h ASN 73 CO 0.06 -0.56 -0.30 0.35 -1.65 0.00 0.00 177.43 175.33 2ctl n THR 74 N -5.50 -0.46 -0.30 2.81 -2.24 0.15 0.10 114.28 108.85 2ctl n THR 74 Ca -0.11 2.28 -0.02 0.00 -2.27 0.00 0.00 64.05 63.92 2ctl n THR 74 Cb 0.39 -3.10 0.10 0.00 -2.10 0.00 0.00 70.33 65.62 2ctl n THR 74 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ctl h GLU 75 N 0.00 1.00 -0.27 -0.78 4.39 -1.45 0.21 114.58 117.68 2ctl h GLU 75 Ca 0.42 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.07 2ctl h GLU 75 Cb 0.67 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2ctl h GLU 75 CO -1.00 0.66 0.18 0.00 -1.16 0.00 0.00 179.01 177.69 2ctl h ALA 76 N 1.34 1.82 0.08 3.43 0.00 0.12 -2.11 119.26 123.94 2ctl h ALA 76 Ca 0.32 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 2ctl h ALA 76 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2ctl h ALA 76 CO -0.11 0.16 -0.84 0.00 0.00 0.00 0.00 179.25 178.47 2ctl h ALA 77 N 1.84 0.04 -0.14 0.00 0.00 -0.10 -3.31 119.26 117.59 2ctl h ALA 77 Ca 0.10 -0.82 0.04 0.00 0.00 0.00 0.00 54.91 54.23 2ctl h ALA 77 Cb -0.03 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2ctl h ALA 77 CO -0.02 0.45 0.26 0.07 0.00 0.00 0.00 179.25 180.01 2ctl h ARG 78 N -0.57 0.00 -0.05 0.00 -0.00 -0.40 0.16 114.38 113.51 2ctl h ARG 78 Ca -0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.72 2ctl h ARG 78 Cb 1.48 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.44 2ctl h ARG 78 CO 0.05 0.00 -0.37 0.22 -0.00 0.00 0.00 179.97 179.87 2ctl h ASP 79 N 0.00 0.10 -0.20 0.08 1.82 -1.47 -3.07 116.42 113.68 2ctl h ASP 79 Ca 0.07 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 2ctl h ASP 79 Cb 0.58 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 2ctl h ASP 79 CO -0.00 0.47 0.07 0.00 -1.61 0.00 0.00 179.24 178.17 2ctl h ALA 80 N 1.54 0.26 -1.05 -0.78 0.00 -0.83 -1.80 119.26 116.60 2ctl h ALA 80 Ca 0.01 -0.12 0.27 0.00 0.00 0.00 0.00 54.91 55.07 2ctl h ALA 80 Cb 0.70 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 2ctl h ALA 80 CO 0.05 -0.13 0.68 0.82 0.00 0.00 0.00 179.25 180.67 2ctl h ILE 81 N 0.16 0.51 0.08 0.00 2.04 -1.60 -1.94 117.51 116.76 2ctl h ILE 81 Ca 0.07 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2ctl h ILE 81 Cb 0.20 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2ctl h ILE 81 CO -0.00 0.07 -0.04 -0.07 0.00 0.00 0.00 178.15 178.10 2ctl h LEU 82 N 0.36 -0.09 -1.69 1.44 3.38 -1.55 -2.87 115.31 114.28 2ctl h LEU 82 Ca 0.59 -0.34 0.49 0.00 0.09 0.00 0.00 57.88 58.71 2ctl h LEU 82 Cb 1.57 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 42.28 2ctl h LEU 82 CO -0.28 0.55 1.36 -1.14 0.09 0.00 0.00 178.44 179.02 2ctl n ARG 83 N -4.81 0.00 -0.04 1.13 0.63 -0.71 -1.01 116.66 111.86 2ctl n ARG 83 Ca -0.05 1.06 -0.01 0.00 -0.92 0.00 0.00 57.85 57.93 2ctl n ARG 83 Cb 0.21 -2.51 -0.00 0.00 0.45 0.00 0.00 32.46 30.61 2ctl n ARG 83 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2ctl h ILE 84 N 0.00 0.00 -1.06 5.15 2.04 -1.49 -3.34 117.51 118.80 2ctl h ILE 84 Ca 0.80 -0.63 0.35 0.00 1.00 0.00 0.00 64.86 66.38 2ctl h ILE 84 Cb 3.52 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 39.52 2ctl h ILE 84 CO -0.01 0.00 0.71 0.52 0.00 0.00 0.00 178.15 179.37 2ctl n VAL 85 N -3.76 -0.13 -0.01 1.67 0.31 -0.18 0.18 118.33 116.41 2ctl n VAL 85 Ca -0.02 1.19 -0.12 0.00 -0.01 0.00 0.00 64.34 65.38 2ctl n VAL 85 Cb 0.07 -1.96 -0.08 0.00 -0.91 0.00 0.00 33.84 30.97 2ctl n VAL 85 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ctl h GLY 86 N 0.00 0.08 1.37 2.92 0.00 -1.57 -2.00 103.07 103.87 2ctl h GLY 86 Ca 0.62 -0.06 -0.14 0.00 0.00 0.00 0.00 47.33 47.75 2ctl h GLY 86 CO -0.24 0.06 -0.36 1.05 0.00 0.00 0.00 176.54 177.04 2ctl h GLU 87 N -0.21 0.70 0.17 4.80 4.11 0.18 -3.21 114.58 121.12 2ctl h GLU 87 Ca 0.01 -0.34 -0.00 0.00 0.07 0.00 0.00 59.36 59.09 2ctl h GLU 87 Cb 0.32 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2ctl h GLU 87 CO 0.00 0.95 -0.10 -0.07 0.07 0.00 0.00 179.01 179.86 2ctl h LEU 88 N 0.59 -0.26 -0.97 3.06 3.38 -1.15 0.94 115.31 120.89 2ctl h LEU 88 Ca 0.06 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.23 2ctl h LEU 88 Cb 0.89 0.08 -0.18 0.00 0.09 0.00 0.00 40.66 41.54 2ctl h LEU 88 CO 0.08 -0.17 -0.26 -0.08 0.09 0.00 0.00 178.44 178.10 2ctl h GLU 89 N -0.27 -0.00 -0.08 1.13 4.22 -1.36 0.28 114.58 118.50 2ctl h GLU 89 Ca -0.02 0.00 -0.24 0.00 0.08 0.00 0.00 59.36 59.18 2ctl h GLU 89 Cb 0.22 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.49 2ctl h GLU 89 CO 0.02 -0.00 -0.90 1.96 -2.18 0.00 0.00 179.01 177.90 2ctl h GLN 90 N -0.00 0.76 -5.00 1.92 4.20 -1.58 -3.45 115.11 111.95 2ctl h GLN 90 Ca 0.45 -0.70 -0.70 0.00 0.06 0.00 0.00 58.65 57.76 2ctl h GLN 90 Cb 0.70 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 2ctl h GLN 90 CO -1.00 1.29 0.78 -0.12 -0.67 0.00 0.00 178.83 179.11 2ctl n MET 91 N -3.90 0.00 0.00 1.46 1.56 1.00 -4.85 117.12 112.39 2ctl n MET 91 Ca -0.09 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.32 2ctl n MET 91 Cb 0.81 -1.25 -0.01 0.00 2.15 0.00 0.00 33.22 34.92 2ctl n MET 91 CO 0.00 0.00 0.00 0.77 -0.73 0.00 0.00 175.97 176.01 2ctl h SER 92 N 5.45 -0.10 -1.71 6.12 0.02 -1.88 -3.48 113.55 117.97 2ctl h SER 92 Ca -0.26 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2ctl h SER 92 Cb 1.16 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2ctl h SER 92 CO 0.85 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 177.55 2ctl n GLY 93 N 1.47 3.24 3.56 -3.77 0.00 -1.26 -5.07 105.19 103.37 2ctl n GLY 93 Ca -0.02 -1.23 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 2ctl n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctl s PRO 94 N -2.26 2.84 1.06 1.61 0.04 -1.26 -4.97 135.00 132.06 2ctl s PRO 94 Ca 0.00 0.81 -0.22 0.00 0.04 0.00 0.00 61.00 61.63 2ctl s PRO 94 Cb 0.00 -4.32 -0.02 0.00 0.04 0.00 0.00 34.50 30.20 2ctl s PRO 94 CO 0.00 -2.47 -0.64 -1.13 0.04 0.00 0.00 177.00 172.80 2ctl n SER 95 N 11.97 -2.65 -4.14 6.66 3.41 -1.26 -5.03 113.62 122.57 2ctl n SER 95 Ca 0.21 -0.09 -0.16 0.00 -0.26 0.00 0.00 58.87 58.56 2ctl n SER 95 Cb 0.51 -0.75 -0.10 0.00 -0.26 0.00 0.00 64.21 63.61 2ctl n SER 95 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ctl s SER 96 N -1.48 1.06 0.00 4.04 1.04 -1.26 -5.31 113.70 111.79 2ctl s SER 96 Ca 0.46 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 55.43 2ctl s SER 96 Cb -0.02 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2ctl s SER 96 CO 0.63 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.64