#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 -1.18 0.29 1.61 0.01 -1.26 -5.17 113.70 108.00 2ctl s SER 2 Ca 0.00 1.08 0.05 0.00 1.31 0.00 0.00 55.95 58.39 2ctl s SER 2 Cb 0.00 2.13 -0.06 0.00 0.21 0.00 0.00 66.02 68.30 2ctl s SER 2 CO 0.00 -0.25 -0.01 -0.94 0.41 0.00 0.00 173.24 172.45 2ctl s SER 3 N 2.85 2.49 -0.31 2.44 1.04 -1.26 -5.09 113.70 115.87 2ctl s SER 3 Ca 0.11 -1.26 0.04 0.00 0.48 0.00 0.00 55.95 55.32 2ctl s SER 3 Cb -0.14 -0.11 0.28 0.00 0.10 0.00 0.00 66.02 66.15 2ctl s SER 3 CO -0.20 -0.46 1.38 0.61 0.98 0.00 0.00 173.24 175.55 2ctl n GLY 4 N -0.59 -1.66 3.29 7.32 0.00 -1.26 -5.11 105.19 107.18 2ctl n GLY 4 Ca -0.04 0.83 -0.43 0.00 0.00 0.00 0.00 46.02 46.37 2ctl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctl s SER 5 N -0.04 5.93 -0.29 1.61 0.01 -1.26 -5.02 113.70 114.64 2ctl s SER 5 Ca 0.17 -1.65 -0.15 0.00 1.31 0.00 0.00 55.95 55.64 2ctl s SER 5 Cb 0.26 -2.10 0.10 0.00 0.21 0.00 0.00 66.02 64.49 2ctl s SER 5 CO -0.19 -0.69 0.72 -0.55 0.41 0.00 0.00 173.24 172.94 2ctl s SER 6 N 2.78 -0.93 0.24 2.44 0.15 -1.26 -5.16 113.70 111.96 2ctl s SER 6 Ca 0.04 1.42 -0.22 0.00 0.70 0.00 0.00 55.95 57.90 2ctl s SER 6 Cb -0.26 1.58 -0.09 0.00 -1.71 0.00 0.00 66.02 65.55 2ctl s SER 6 CO 0.03 -0.22 0.78 -0.83 1.20 0.00 0.00 173.24 174.20 2ctl s GLY 7 N 1.92 2.70 0.91 9.45 0.00 -1.26 -5.03 107.32 116.00 2ctl s GLY 7 Ca -0.09 0.27 -0.12 0.00 0.00 0.00 0.00 44.72 44.78 2ctl s GLY 7 CO -0.19 0.67 0.66 1.18 0.00 0.00 0.00 173.10 175.41 2ctl n GLU 8 N 0.82 -0.23 0.00 2.90 4.71 -1.26 -4.96 120.64 122.62 2ctl n GLU 8 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 2ctl n GLU 8 Cb 0.50 -2.02 0.00 0.00 -1.01 0.00 0.00 31.44 28.91 2ctl n GLU 8 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2ctl n GLN 9 N -2.32 2.69 -3.87 3.49 1.13 -1.26 -5.02 117.38 112.22 2ctl n GLN 9 Ca 0.09 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.88 2ctl n GLN 9 Cb 0.53 -0.85 -0.07 0.00 0.11 0.00 0.00 30.24 29.95 2ctl n GLN 9 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 2ctl n GLU 10 N -1.50 -0.89 -0.02 -1.09 0.28 -1.26 -4.80 120.64 111.37 2ctl n GLU 10 Ca 0.00 0.08 -0.16 0.00 -0.16 0.00 0.00 57.16 56.92 2ctl n GLU 10 Cb 0.31 -3.05 -0.12 0.00 1.43 0.00 0.00 31.44 30.01 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 -0.96 0.28 -0.99 -1.84 5.19 -1.99 -2.98 116.42 113.13 2ctl h ASP 11 Ca -0.49 -0.80 0.30 0.00 -0.62 0.00 0.00 57.03 55.42 2ctl h ASP 11 Cb 1.07 -0.09 -0.18 0.00 0.18 0.00 0.00 39.33 40.31 2ctl h ASP 11 CO 0.59 1.05 0.12 -2.11 -3.12 0.00 0.00 179.24 175.77 2ctl n ARG 12 N -4.43 -0.07 -0.02 3.56 1.85 -1.26 0.29 116.66 116.57 2ctl n ARG 12 Ca -0.10 1.46 -0.16 0.00 -1.00 0.00 0.00 57.85 58.05 2ctl n ARG 12 Cb 0.56 -2.37 -0.10 0.00 -1.05 0.00 0.00 32.46 29.50 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 1.97 0.13 -0.25 2.89 0.00 -1.95 -3.13 119.26 118.92 2ctl h ALA 13 Ca 0.65 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2ctl h ALA 13 Cb 1.43 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 2ctl h ALA 13 CO -0.90 0.28 -0.18 -0.07 0.00 0.00 0.00 179.25 178.39 2ctl h LEU 14 N -0.08 -0.58 -2.81 0.00 3.38 0.00 0.19 115.31 115.41 2ctl h LEU 14 Ca -0.04 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2ctl h LEU 14 Cb 1.12 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 2ctl h LEU 14 CO 0.09 -0.22 -0.00 0.08 0.09 0.00 0.00 178.44 178.48 2ctl h ARG 15 N -0.17 0.00 -0.93 1.13 0.11 -0.86 -0.92 114.38 112.74 2ctl h ARG 15 Ca 0.14 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.02 2ctl h ARG 15 Cb 0.38 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 31.34 2ctl h ARG 15 CO -0.35 0.00 0.25 0.45 0.10 0.00 0.00 179.97 180.42 2ctl n SER 16 N -3.21 3.50 -4.69 0.08 2.88 0.67 -3.83 113.62 109.02 2ctl n SER 16 Ca -0.03 -2.78 -0.40 0.00 -1.33 0.00 0.00 58.87 54.33 2ctl n SER 16 Cb 0.09 -0.66 -0.05 0.00 -0.75 0.00 0.00 64.21 62.84 2ctl n SER 16 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2ctl s PHE 17 N -1.88 3.47 -0.17 0.66 2.19 -0.35 -4.99 117.98 116.91 2ctl s PHE 17 Ca 0.31 1.12 -0.01 0.00 0.33 0.00 0.00 56.93 58.69 2ctl s PHE 17 Cb 0.26 -2.83 -0.00 0.00 -1.31 0.00 0.00 43.02 39.13 2ctl s PHE 17 CO 0.07 -0.06 -0.12 0.21 1.83 0.00 0.00 175.22 177.15 2ctl s LYS 18 N 1.43 3.27 0.11 10.12 2.20 -1.26 -2.47 119.74 133.14 2ctl s LYS 18 Ca 0.34 -0.71 0.05 0.00 -0.36 0.00 0.00 55.97 55.29 2ctl s LYS 18 Cb -0.17 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 33.38 2ctl s LYS 18 CO 0.14 -0.04 0.03 -1.17 -0.36 0.00 0.00 175.35 173.94 2ctl s LEU 19 N 1.00 3.53 -0.16 5.43 2.96 0.38 -4.94 118.68 126.88 2ctl s LEU 19 Ca -0.01 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 2ctl s LEU 19 Cb -0.15 -2.23 0.03 0.00 0.50 0.00 0.00 46.19 44.35 2ctl s LEU 19 CO -0.02 0.15 -0.09 -0.94 -1.32 0.00 0.00 176.35 174.13 2ctl s SER 20 N -2.51 2.83 -0.28 3.68 1.04 -1.25 -1.53 113.70 115.68 2ctl s SER 20 Ca 0.27 -0.62 -0.11 0.00 0.48 0.00 0.00 55.95 55.97 2ctl s SER 20 Cb -0.11 -1.05 -0.05 0.00 0.10 0.00 0.00 66.02 64.91 2ctl s SER 20 CO 0.19 -0.13 0.20 -0.69 0.98 0.00 0.00 173.24 173.80 2ctl s VAL 21 N 1.55 5.30 -0.56 5.02 1.01 -0.38 -4.85 120.40 127.48 2ctl s VAL 21 Ca 0.02 0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.92 2ctl s VAL 21 Cb -0.14 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.73 2ctl s VAL 21 CO -0.09 0.24 1.03 -0.89 0.00 0.00 0.00 175.10 175.39 2ctl s THR 22 N 1.78 4.26 -0.19 3.92 2.01 -1.26 -1.13 115.64 125.02 2ctl s THR 22 Ca 0.07 0.50 -0.11 0.00 0.31 0.00 0.00 61.69 62.46 2ctl s THR 22 Cb -0.16 -4.60 0.06 0.00 0.01 0.00 0.00 72.50 67.81 2ctl s THR 22 CO 0.11 -1.19 0.47 -0.69 -0.69 0.00 0.00 174.62 172.63 2ctl s VAL 23 N 4.28 -0.02 0.34 3.82 1.01 0.83 -5.02 120.40 125.64 2ctl s VAL 23 Ca 0.35 0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.15 2ctl s VAL 23 Cb -0.11 -0.69 -0.15 0.00 0.00 0.00 0.00 36.38 35.43 2ctl s VAL 23 CO 0.21 0.03 0.40 0.47 0.00 0.00 0.00 175.10 176.21 2ctl n ASP 24 N 4.12 -1.59 0.00 3.32 8.00 -1.26 -4.20 116.55 124.94 2ctl n ASP 24 Ca -0.22 0.96 0.08 0.00 0.71 0.00 0.00 54.79 56.32 2ctl n ASP 24 Cb 0.56 -0.99 0.46 0.00 -0.02 0.00 0.00 41.12 41.13 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 0.48 0.06 -0.24 -0.04 -1.26 -2.85 135.00 132.16 2ctl n PRO 25 Ca 0.13 0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.39 2ctl n PRO 25 Cb 0.35 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.55 0.00 0.54 2.10 -1.90 -3.28 116.57 114.59 2ctl h LYS 26 Ca 0.00 -0.71 0.00 0.00 -2.00 0.00 0.00 60.65 57.94 2ctl h LYS 26 Cb 0.00 0.23 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2ctl h LYS 26 CO 0.00 1.30 -0.15 1.88 -2.00 0.00 0.00 179.45 180.48 2ctl h TYR 27 N 0.13 0.00 -0.39 0.07 0.05 -1.88 -3.36 116.97 111.59 2ctl h TYR 27 Ca -0.15 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.68 2ctl h TYR 27 Cb 1.73 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 39.39 2ctl h TYR 27 CO 0.13 0.00 -0.56 0.45 -1.05 0.00 0.00 178.16 177.13 2ctl h HIS 28 N 0.00 -1.70 0.00 4.88 3.86 -1.61 0.51 115.15 121.09 2ctl h HIS 28 Ca 0.00 0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2ctl h HIS 28 Cb 1.00 0.79 0.00 0.00 1.06 0.00 0.00 27.41 30.26 2ctl h HIS 28 CO 0.00 -0.49 0.00 -0.35 0.86 0.00 0.00 177.93 177.95 2ctl n PRO 29 N -5.36 0.20 -0.04 2.45 -0.04 -1.26 -2.57 135.00 128.38 2ctl n PRO 29 Ca -0.04 0.15 -0.15 0.00 -0.04 0.00 0.00 63.50 63.42 2ctl n PRO 29 Cb 0.34 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.69 -0.05 0.54 4.76 0.14 -4.31 118.16 118.62 2ctl n LYS 30 Ca 0.07 0.22 -0.13 0.00 -2.87 0.00 0.00 58.31 55.60 2ctl n LYS 30 Cb 0.12 -1.68 -0.07 0.00 -1.84 0.00 0.00 35.03 31.57 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 0.03 1.32 -0.92 -0.18 2.04 -0.18 -3.17 117.51 116.46 2ctl h ILE 31 Ca -0.43 -1.16 0.26 0.00 1.00 0.00 0.00 64.86 64.53 2ctl h ILE 31 Cb 2.03 1.76 -0.16 0.00 -0.74 0.00 0.00 36.82 39.72 2ctl h ILE 31 CO 0.05 0.34 0.13 0.40 0.00 0.00 0.00 178.15 179.06 2ctl h ILE 32 N -0.02 0.16 0.00 -0.67 2.04 -1.74 -3.36 117.51 113.92 2ctl h ILE 32 Ca 0.03 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2ctl h ILE 32 Cb 0.57 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2ctl h ILE 32 CO 0.02 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.80 2ctl n GLY 33 N -1.43 -0.68 0.51 5.37 0.00 -1.20 -2.86 105.19 104.90 2ctl n GLY 33 Ca 0.22 -2.23 -0.20 0.00 0.00 0.00 0.00 46.02 43.81 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 5.71 -1.24 0.00 1.61 -0.00 -1.91 -3.38 114.38 115.16 2ctl h ARG 34 Ca 0.00 0.08 -0.28 0.00 -0.50 0.00 0.00 59.98 59.29 2ctl h ARG 34 Cb 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 29.97 30.20 2ctl h ARG 34 CO 0.00 -0.83 -2.05 0.36 0.00 0.00 0.00 179.97 177.45 2ctl n LYS 35 N -5.64 0.96 0.00 0.04 -0.00 -1.26 -5.01 118.16 107.25 2ctl n LYS 35 Ca -0.16 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 2ctl n LYS 35 Cb 0.51 -1.38 0.00 0.00 -0.00 0.00 0.00 35.03 34.16 2ctl n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ctl n GLY 36 N 2.38 0.49 0.10 2.58 0.00 -1.26 -5.07 105.19 104.40 2ctl n GLY 36 Ca -0.29 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 0.73 -0.40 4.61 0.00 -1.25 -3.68 120.51 120.52 2ctl n ALA 37 Ca 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 53.44 52.84 2ctl n ALA 37 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.00 0.00 -0.91 0.00 2.07 -1.87 0.68 116.25 115.22 2ctl h VAL 38 Ca -0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2ctl h VAL 38 Cb 1.08 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2ctl h VAL 38 CO -0.16 0.00 0.58 -0.29 0.02 0.00 0.00 177.57 177.72 2ctl h ILE 39 N -0.00 1.24 -0.19 4.57 6.09 -1.68 -2.68 117.51 124.85 2ctl h ILE 39 Ca 0.27 -0.46 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 2ctl h ILE 39 Cb 0.52 -0.08 -0.01 0.00 0.47 0.00 0.00 36.82 37.72 2ctl h ILE 39 CO -0.97 0.24 0.12 0.74 -3.07 0.00 0.00 178.15 175.21 2ctl h THR 40 N 1.24 1.06 0.16 2.19 2.02 0.11 -2.27 112.91 117.42 2ctl h THR 40 Ca 0.33 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.39 2ctl h THR 40 Cb -0.11 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2ctl h THR 40 CO -0.07 0.06 -0.45 -0.61 0.37 0.00 0.00 175.52 174.82 2ctl h GLN 41 N 0.24 -0.68 -0.32 6.66 -0.00 -0.31 -1.95 115.11 118.75 2ctl h GLN 41 Ca 0.07 0.05 0.07 0.00 -0.00 0.00 0.00 58.65 58.84 2ctl h GLN 41 Cb -0.01 0.15 -0.08 0.00 0.00 0.00 0.00 27.48 27.54 2ctl h GLN 41 CO -0.01 -0.45 -0.32 0.82 0.00 0.00 0.00 178.83 178.87 2ctl h ILE 42 N -0.71 0.26 -0.41 2.39 2.04 -1.44 0.27 117.51 119.92 2ctl h ILE 42 Ca 0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.92 2ctl h ILE 42 Cb 0.71 0.26 -0.08 0.00 -0.74 0.00 0.00 36.82 36.97 2ctl h ILE 42 CO -0.23 0.00 -0.53 0.03 0.00 0.00 0.00 178.15 177.41 2ctl h ARG 43 N -0.28 -0.37 -1.00 2.37 3.08 -1.07 0.04 114.38 117.14 2ctl h ARG 43 Ca 0.15 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.25 2ctl h ARG 43 Cb 0.53 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 2ctl h ARG 43 CO -0.48 -0.25 0.66 -0.07 -1.07 0.00 0.00 179.97 178.76 2ctl h LEU 44 N -0.39 1.12 -0.80 3.04 3.38 -0.82 1.62 115.31 122.46 2ctl h LEU 44 Ca 0.09 -0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.20 2ctl h LEU 44 Cb 0.60 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 40.98 2ctl h LEU 44 CO -0.59 0.79 0.33 -0.08 0.09 0.00 0.00 178.44 178.98 2ctl h GLU 45 N 1.31 0.44 -0.01 1.13 4.57 0.14 -1.03 114.58 121.13 2ctl h GLU 45 Ca 0.38 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 2ctl h GLU 45 Cb -0.08 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 2ctl h GLU 45 CO -0.10 0.29 -0.68 0.72 -1.18 0.00 0.00 179.01 178.05 2ctl n HIS 46 N -5.00 0.00 -3.13 0.92 8.25 -0.61 -4.99 115.22 110.66 2ctl n HIS 46 Ca 0.16 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.48 2ctl n HIS 46 Cb 0.47 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.64 2ctl n HIS 46 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2ctl n ASP 47 N -0.81 -3.83 -4.58 0.41 8.00 0.53 -4.85 116.55 111.42 2ctl n ASP 47 Ca 0.06 -0.38 -0.31 0.00 0.71 0.00 0.00 54.79 54.87 2ctl n ASP 47 Cb 0.35 -3.56 -0.08 0.00 -0.02 0.00 0.00 41.12 37.82 2ctl n ASP 47 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2ctl s VAL 48 N -3.22 1.05 -0.18 2.53 -7.23 0.17 -4.85 120.40 108.65 2ctl s VAL 48 Ca 0.24 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 2ctl s VAL 48 Cb -0.11 -2.25 0.03 0.00 0.56 0.00 0.00 36.38 34.62 2ctl s VAL 48 CO 0.49 0.00 -0.13 0.21 -0.31 0.00 0.00 175.10 175.36 2ctl s ASN 49 N -3.80 3.20 -0.28 4.85 2.47 -0.89 -4.49 114.94 115.99 2ctl s ASN 49 Ca 0.12 -0.76 -0.05 0.00 0.42 0.00 0.00 52.86 52.59 2ctl s ASN 49 Cb 0.02 -1.28 0.02 0.00 -1.45 0.00 0.00 41.25 38.56 2ctl s ASN 49 CO 0.07 -0.10 0.04 -0.63 -3.72 0.00 0.00 177.10 172.75 2ctl s ILE 50 N 1.39 3.57 -0.13 -5.21 1.01 -1.26 -1.40 121.20 119.18 2ctl s ILE 50 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.83 2ctl s ILE 50 Cb -0.15 -2.86 0.01 0.00 0.01 0.00 0.00 42.46 39.47 2ctl s ILE 50 CO -0.10 0.09 -0.21 -1.58 0.00 0.00 0.00 174.94 173.14 2ctl s GLN 51 N 1.43 2.90 0.24 2.79 0.74 -0.25 -5.03 119.66 122.47 2ctl s GLN 51 Ca 0.01 -0.81 -0.07 0.00 0.05 0.00 0.00 55.36 54.54 2ctl s GLN 51 Cb -0.17 -2.32 -0.06 0.00 1.10 0.00 0.00 33.01 31.56 2ctl s GLN 51 CO 0.00 0.02 0.52 -0.06 -0.55 0.00 0.00 175.29 175.23 2ctl s PHE 52 N 0.73 3.45 0.67 1.67 0.40 -1.26 -2.14 117.98 121.50 2ctl s PHE 52 Ca -0.10 0.73 -0.15 0.00 -0.60 0.00 0.00 56.93 56.82 2ctl s PHE 52 Cb -0.16 -2.16 0.00 0.00 0.51 0.00 0.00 43.02 41.22 2ctl s PHE 52 CO 0.00 0.26 1.11 -1.25 0.70 0.00 0.00 175.22 176.04 2ctl s PRO 53 N -3.08 2.76 -0.25 0.24 0.04 -1.26 -4.98 135.00 128.48 2ctl s PRO 53 Ca 0.45 1.38 -0.13 0.00 0.04 0.00 0.00 61.00 62.74 2ctl s PRO 53 Cb -0.11 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2ctl s PRO 53 CO 0.25 -1.28 0.29 0.34 0.04 0.00 0.00 177.00 176.64 2ctl s ASP 54 N -2.63 6.22 0.19 6.66 2.15 -1.26 -4.94 116.67 123.05 2ctl s ASP 54 Ca 0.67 0.24 -0.12 0.00 0.43 0.00 0.00 52.55 53.76 2ctl s ASP 54 Cb -0.20 -2.17 0.17 0.00 -0.30 0.00 0.00 42.92 40.41 2ctl s ASP 54 CO 0.42 -0.06 1.77 0.11 -0.17 0.00 0.00 175.17 177.24 2ctl h LYS 55 N 7.82 0.44 -0.92 4.34 1.57 -1.95 -1.80 116.57 126.07 2ctl h LYS 55 Ca -0.35 -0.03 0.21 0.00 -1.87 0.00 0.00 60.65 58.61 2ctl h LYS 55 Cb 1.17 -0.10 -0.12 0.00 0.08 0.00 0.00 32.23 33.26 2ctl h LYS 55 CO 0.65 0.29 0.46 -0.44 -0.57 0.00 0.00 179.45 179.84 2ctl h ASP 56 N 0.45 0.47 0.02 0.86 3.32 -1.99 -2.10 116.42 117.44 2ctl h ASP 56 Ca 0.24 0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.44 2ctl h ASP 56 Cb 0.20 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 2ctl h ASP 56 CO -0.20 0.08 -0.40 -0.78 -1.72 0.00 0.00 179.24 176.22 2ctl h ASP 57 N 0.50 -1.22 0.00 6.45 3.58 -1.71 -3.46 116.42 120.56 2ctl h ASP 57 Ca 0.56 0.13 0.00 0.00 0.42 0.00 0.00 57.03 58.15 2ctl h ASP 57 Cb 1.01 0.46 0.00 0.00 1.72 0.00 0.00 39.33 42.52 2ctl h ASP 57 CO -0.48 -0.39 0.00 0.61 -2.88 0.00 0.00 179.24 176.10 2ctl n GLY 58 N -1.35 2.21 0.24 -0.78 0.00 -0.79 -4.63 105.19 100.10 2ctl n GLY 58 Ca -0.06 -0.25 0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 4.47 0.26 -4.85 1.61 4.13 -1.26 -4.26 115.26 115.35 2ctl n ASN 59 Ca 0.00 1.26 -0.32 0.00 1.68 0.00 0.00 54.58 57.20 2ctl n ASN 59 Cb 0.00 -0.61 -0.04 0.00 -1.54 0.00 0.00 39.78 37.59 2ctl n ASN 59 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2ctl s GLN 60 N -5.16 3.93 0.04 3.52 -0.21 -1.26 -5.02 119.66 115.50 2ctl s GLN 60 Ca -0.07 0.71 -0.31 0.00 0.02 0.00 0.00 55.36 55.72 2ctl s GLN 60 Cb 0.26 -2.31 -0.07 0.00 1.00 0.00 0.00 33.01 31.89 2ctl s GLN 60 CO 0.59 -0.05 1.42 -1.25 -2.12 0.00 0.00 175.29 173.88 2ctl s PRO 61 N -3.61 4.29 0.06 2.91 0.04 -1.26 -4.91 135.00 132.52 2ctl s PRO 61 Ca 0.55 2.03 0.24 0.00 0.04 0.00 0.00 61.00 63.86 2ctl s PRO 61 Cb -0.10 -3.47 0.35 0.00 0.04 0.00 0.00 34.50 31.32 2ctl s PRO 61 CO 0.26 -0.54 1.30 1.04 0.04 0.00 0.00 177.00 179.10 2ctl n GLN 62 N 4.91 0.19 0.02 4.56 1.13 -1.26 -3.75 117.38 123.18 2ctl n GLN 62 Ca 0.13 0.04 0.11 0.00 -1.94 0.00 0.00 57.00 55.34 2ctl n GLN 62 Cb 0.43 -1.60 -0.00 0.00 0.11 0.00 0.00 30.24 29.18 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 -1.87 0.61 -4.75 1.08 5.68 -1.26 -4.01 116.55 112.03 2ctl n ASP 63 Ca 0.04 -0.27 -0.38 0.00 -0.50 0.00 0.00 54.79 53.68 2ctl n ASP 63 Cb 0.40 0.88 -0.06 0.00 -1.14 0.00 0.00 41.12 41.20 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 -3.20 4.21 -0.19 0.11 -1.52 -1.25 -0.12 119.66 117.71 2ctl s GLN 64 Ca 0.03 0.36 -0.03 0.00 -1.95 0.00 0.00 55.36 53.77 2ctl s GLN 64 Cb 0.15 -3.38 -0.01 0.00 -0.22 0.00 0.00 33.01 29.54 2ctl s GLN 64 CO 0.81 0.32 -0.05 0.42 -0.25 0.00 0.00 175.29 176.54 2ctl s ILE 65 N 0.13 3.47 -0.00 1.08 1.01 -0.29 -4.14 121.20 122.46 2ctl s ILE 65 Ca 0.23 -0.48 -0.21 0.00 0.00 0.00 0.00 60.65 60.19 2ctl s ILE 65 Cb -0.15 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 2ctl s ILE 65 CO 0.10 0.46 0.61 -0.89 0.00 0.00 0.00 174.94 175.21 2ctl s THR 66 N 1.00 4.90 -0.05 2.92 2.01 -0.91 -1.25 115.64 124.26 2ctl s THR 66 Ca 0.00 1.28 -0.02 0.00 0.31 0.00 0.00 61.69 63.26 2ctl s THR 66 Cb -0.15 -3.95 0.03 0.00 0.01 0.00 0.00 72.50 68.45 2ctl s THR 66 CO 0.00 0.41 0.08 -0.63 -0.69 0.00 0.00 174.62 173.80 2ctl s ILE 67 N -0.16 -0.13 0.14 1.82 1.01 -0.58 -1.09 121.20 122.21 2ctl s ILE 67 Ca 0.32 0.36 0.04 0.00 0.00 0.00 0.00 60.65 61.37 2ctl s ILE 67 Cb -0.18 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 2ctl s ILE 67 CO 0.18 0.15 0.17 -0.89 0.00 0.00 0.00 174.94 174.55 2ctl s THR 68 N 1.95 4.77 -4.30 2.92 2.01 -0.49 -0.47 115.64 122.03 2ctl s THR 68 Ca 0.01 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.13 2ctl s THR 68 Cb -0.12 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 68.97 2ctl s THR 68 CO -0.04 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 2ctl n GLY 69 N -0.24 0.96 3.67 4.40 0.00 -1.03 -2.10 105.19 110.84 2ctl n GLY 69 Ca -0.08 -1.99 -0.44 0.00 0.00 0.00 0.00 46.02 43.52 2ctl n GLY 69 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ctl n TYR 70 N 1.96 2.47 -0.26 1.61 4.01 -1.26 -3.99 117.16 121.70 2ctl n TYR 70 Ca 0.00 -0.26 0.25 0.00 -0.16 0.00 0.00 57.90 57.73 2ctl n TYR 70 Cb 0.00 -2.76 0.45 0.00 -0.31 0.00 0.00 39.34 36.72 2ctl n TYR 70 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2ctl n GLU 71 N 7.14 -0.04 0.25 -0.72 2.13 -1.26 0.21 120.64 128.35 2ctl n GLU 71 Ca 0.21 1.00 -0.10 0.00 0.66 0.00 0.00 57.16 58.92 2ctl n GLU 71 Cb 0.38 -1.83 -0.05 0.00 0.27 0.00 0.00 31.44 30.21 2ctl n GLU 71 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2ctl h LYS 72 N 0.00 -0.64 0.07 5.31 1.79 -1.96 -2.91 116.57 118.22 2ctl h LYS 72 Ca 0.63 0.04 0.02 0.00 -2.18 0.00 0.00 60.65 59.17 2ctl h LYS 72 Cb 1.77 0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 32.51 2ctl h LYS 72 CO -0.51 -0.43 -0.40 -0.91 -1.08 0.00 0.00 179.45 176.12 2ctl h ASN 73 N -1.03 -1.18 -0.92 0.86 4.21 -0.57 -1.99 115.58 114.96 2ctl h ASN 73 Ca -0.07 0.14 0.18 0.00 1.21 0.00 0.00 56.30 57.76 2ctl h ASN 73 Cb 0.51 0.45 -0.17 0.00 -1.12 0.00 0.00 38.32 37.99 2ctl h ASN 73 CO 0.11 -0.46 -0.23 0.71 -1.29 0.00 0.00 177.43 176.27 2ctl h THR 74 N -0.60 0.08 -0.87 2.81 1.35 -0.91 0.85 112.91 115.62 2ctl h THR 74 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 2ctl h THR 74 Cb 0.65 0.08 -0.04 0.00 -1.73 0.00 0.00 68.15 67.10 2ctl h THR 74 CO -0.26 0.00 0.56 -0.33 -0.25 0.00 0.00 175.52 175.24 2ctl h GLU 75 N -0.00 1.16 -0.05 4.72 4.39 -1.19 0.26 114.58 123.88 2ctl h GLU 75 Ca 0.44 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 60.03 2ctl h GLU 75 Cb 0.67 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2ctl h GLU 75 CO -0.95 0.78 -0.13 0.00 -1.16 0.00 0.00 179.01 177.56 2ctl h ALA 76 N 1.43 1.70 0.17 3.43 0.00 0.14 -2.15 119.26 123.98 2ctl h ALA 76 Ca 0.32 -0.14 -0.36 0.00 0.00 0.00 0.00 54.91 54.73 2ctl h ALA 76 Cb -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2ctl h ALA 76 CO -0.07 0.22 -1.82 0.00 0.00 0.00 0.00 179.25 177.59 2ctl h ALA 77 N 1.81 0.23 0.00 0.00 0.00 -0.15 -3.33 119.26 117.81 2ctl h ALA 77 Ca 0.01 -1.21 -0.00 0.00 0.00 0.00 0.00 54.91 53.71 2ctl h ALA 77 Cb 0.27 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2ctl h ALA 77 CO 0.02 1.10 -0.02 0.07 0.00 0.00 0.00 179.25 180.41 2ctl h ARG 78 N 0.10 0.00 -0.14 0.00 -0.00 -0.33 -1.28 114.38 112.73 2ctl h ARG 78 Ca -0.37 0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 59.52 2ctl h ARG 78 Cb 2.09 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 32.04 2ctl h ARG 78 CO 0.16 0.02 -0.35 0.22 -0.00 0.00 0.00 179.97 180.02 2ctl h ASP 79 N 0.00 0.30 0.44 0.08 1.82 -1.50 -3.23 116.42 114.33 2ctl h ASP 79 Ca -0.00 -0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.50 2ctl h ASP 79 Cb 0.08 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2ctl h ASP 79 CO 0.00 0.64 -0.21 0.00 -1.61 0.00 0.00 179.24 178.06 2ctl h ALA 80 N 1.39 -0.58 -1.23 -0.78 0.00 -1.39 -0.04 119.26 116.62 2ctl h ALA 80 Ca 0.03 -0.19 0.44 0.00 0.00 0.00 0.00 54.91 55.19 2ctl h ALA 80 Cb 0.74 0.23 -0.15 0.00 0.00 0.00 0.00 17.79 18.61 2ctl h ALA 80 CO 0.06 -0.66 0.76 0.82 0.00 0.00 0.00 179.25 180.22 2ctl h ILE 81 N -0.92 0.06 0.01 0.00 2.04 -1.57 0.17 117.51 117.30 2ctl h ILE 81 Ca -0.06 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 2ctl h ILE 81 Cb 0.57 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2ctl h ILE 81 CO 0.10 0.01 -0.36 -0.07 0.00 0.00 0.00 178.15 177.82 2ctl h LEU 82 N 0.05 0.03 -1.88 1.44 3.38 -1.57 -3.09 115.31 113.67 2ctl h LEU 82 Ca 0.85 -0.88 0.41 0.00 0.09 0.00 0.00 57.88 58.34 2ctl h LEU 82 Cb 2.51 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 43.20 2ctl h LEU 82 CO -0.55 1.15 1.08 0.03 0.09 0.00 0.00 178.44 180.23 2ctl h ARG 83 N -0.96 0.00 0.00 1.13 3.08 0.13 -1.86 114.38 115.90 2ctl h ARG 83 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2ctl h ARG 83 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2ctl h ARG 83 CO -0.04 0.00 -0.08 0.82 -1.07 0.00 0.00 179.97 179.60 2ctl h ILE 84 N 0.00 0.00 -0.99 2.04 2.04 -1.35 -3.35 117.51 115.90 2ctl h ILE 84 Ca 0.67 -0.46 0.34 0.00 1.00 0.00 0.00 64.86 66.40 2ctl h ILE 84 Cb 2.82 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 38.80 2ctl h ILE 84 CO -0.01 0.00 0.64 0.52 0.00 0.00 0.00 178.15 179.30 2ctl n VAL 85 N -3.31 -0.18 -0.04 1.67 0.31 -0.76 0.18 118.33 116.20 2ctl n VAL 85 Ca -0.01 1.28 -0.10 0.00 -0.01 0.00 0.00 64.34 65.49 2ctl n VAL 85 Cb 0.04 -2.10 -0.04 0.00 -0.91 0.00 0.00 33.84 30.83 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 0.27 1.09 2.92 0.00 -1.54 -1.79 103.07 104.02 2ctl h GLY 86 Ca 0.63 -0.11 -0.15 0.00 0.00 0.00 0.00 47.33 47.69 2ctl h GLY 86 CO -0.33 0.11 -0.38 1.05 0.00 0.00 0.00 176.54 176.99 2ctl h GLU 87 N 0.22 0.87 0.34 4.80 4.11 0.17 -3.29 114.58 121.80 2ctl h GLU 87 Ca 0.07 -0.47 -0.00 0.00 0.07 0.00 0.00 59.36 59.02 2ctl h GLU 87 Cb 0.03 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2ctl h GLU 87 CO -0.01 1.12 -0.45 -0.07 0.07 0.00 0.00 179.01 179.67 2ctl h LEU 88 N 0.66 -1.26 -0.83 3.06 3.38 -1.22 0.21 115.31 119.31 2ctl h LEU 88 Ca 0.05 0.12 0.23 0.00 0.09 0.00 0.00 57.88 58.37 2ctl h LEU 88 Cb 0.98 0.44 -0.15 0.00 0.09 0.00 0.00 40.66 42.01 2ctl h LEU 88 CO 0.09 -0.57 0.03 1.21 0.09 0.00 0.00 178.44 179.29 2ctl n GLU 89 N -5.51 -0.07 0.01 1.13 0.00 -0.68 0.17 120.64 115.69 2ctl n GLU 89 Ca -0.10 1.24 -0.18 0.00 0.00 0.00 0.00 57.16 58.12 2ctl n GLU 89 Cb 0.41 -1.98 -0.08 0.00 0.00 0.00 0.00 31.44 29.79 2ctl n GLU 89 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2ctl h GLN 90 N 0.00 0.73 -5.85 5.31 4.15 -1.51 -3.44 115.11 114.51 2ctl h GLN 90 Ca 0.51 -0.69 -0.76 0.00 0.77 0.00 0.00 58.65 58.48 2ctl h GLN 90 Cb 1.07 0.17 0.05 0.00 0.21 0.00 0.00 27.48 28.98 2ctl h GLN 90 CO -0.78 1.28 0.02 -0.12 -1.93 0.00 0.00 178.83 177.31 2ctl n MET 91 N -3.89 0.00 -2.06 1.69 1.56 0.44 0.10 117.12 114.96 2ctl n MET 91 Ca -0.09 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.18 2ctl n MET 91 Cb 0.82 -1.43 -0.02 0.00 2.15 0.00 0.00 33.22 34.73 2ctl n MET 91 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2ctl n SER 92 N 1.49 -4.77 -4.70 6.12 2.88 -1.26 -4.98 113.62 108.40 2ctl n SER 92 Ca 0.19 0.10 -0.25 0.00 -1.33 0.00 0.00 58.87 57.59 2ctl n SER 92 Cb 0.09 -3.83 -0.08 0.00 -0.75 0.00 0.00 64.21 59.64 2ctl n SER 92 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ctl s GLY 93 N -2.44 2.24 -0.64 0.46 0.00 0.29 -5.06 107.32 102.17 2ctl s GLY 93 Ca 0.00 -2.06 -0.26 0.00 0.00 0.00 0.00 44.72 42.40 2ctl s GLY 93 CO 0.00 -1.90 1.87 2.56 0.00 0.00 0.00 173.10 175.62 2ctl s PRO 94 N -3.84 2.62 -0.33 2.90 0.04 -1.26 -4.96 135.00 130.17 2ctl s PRO 94 Ca 0.39 0.51 -0.15 0.00 0.04 0.00 0.00 61.00 61.79 2ctl s PRO 94 Cb 0.03 -4.46 -0.02 0.00 0.04 0.00 0.00 34.50 30.09 2ctl s PRO 94 CO 0.21 -2.80 0.36 -1.54 0.04 0.00 0.00 177.00 173.27 2ctl s SER 95 N 8.08 6.19 0.56 6.66 1.04 -1.26 -5.07 113.70 129.90 2ctl s SER 95 Ca 0.67 -0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.89 2ctl s SER 95 Cb -0.12 -2.20 -0.03 0.00 0.10 0.00 0.00 66.02 63.77 2ctl s SER 95 CO 0.18 -0.31 0.92 -0.55 0.98 0.00 0.00 173.24 174.47 2ctl s SER 96 N 1.72 6.15 0.00 7.02 0.15 -1.26 -5.27 113.70 122.21 2ctl s SER 96 Ca 0.12 1.15 0.00 0.00 0.70 0.00 0.00 55.95 57.92 2ctl s SER 96 Cb -0.16 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2ctl s SER 96 CO 0.11 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.37