#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctj s SER 2 N 0.00 0.26 0.26 1.61 1.04 -1.26 -5.18 113.70 110.43 2ctj s SER 2 Ca 0.00 -1.04 -0.19 0.00 0.48 0.00 0.00 55.95 55.20 2ctj s SER 2 Cb 0.00 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.45 2ctj s SER 2 CO 0.00 -0.74 0.64 -0.44 0.98 0.00 0.00 173.24 173.67 2ctj s SER 3 N -2.99 -0.24 0.00 7.02 0.01 -1.26 -5.12 113.70 111.13 2ctj s SER 3 Ca 0.18 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2ctj s SER 3 Cb 0.06 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.97 2ctj s SER 3 CO -0.02 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 172.99 2ctj n GLY 4 N -0.42 -1.56 3.30 3.44 0.00 -1.26 -5.18 105.19 103.51 2ctj n GLY 4 Ca -0.05 0.63 -0.27 0.00 0.00 0.00 0.00 46.02 46.33 2ctj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctj s SER 5 N 0.00 2.78 0.20 1.61 0.15 -1.26 -5.15 113.70 112.03 2ctj s SER 5 Ca 0.00 -0.59 0.05 0.00 0.70 0.00 0.00 55.95 56.11 2ctj s SER 5 Cb 0.00 -0.22 -0.05 0.00 -1.71 0.00 0.00 66.02 64.04 2ctj s SER 5 CO 0.00 0.18 -0.08 -0.94 1.20 0.00 0.00 173.24 173.60 2ctj s SER 6 N -1.40 2.06 -0.43 5.45 1.04 -1.26 -5.10 113.70 114.06 2ctj s SER 6 Ca 0.09 -1.09 0.08 0.00 0.48 0.00 0.00 55.95 55.51 2ctj s SER 6 Cb -0.09 -0.05 0.27 0.00 0.10 0.00 0.00 66.02 66.25 2ctj s SER 6 CO 0.03 -0.35 0.74 0.61 0.98 0.00 0.00 173.24 175.24 2ctj n GLY 7 N -0.34 1.83 3.62 7.32 0.00 -1.26 -5.13 105.19 111.23 2ctj n GLY 7 Ca -0.08 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 2ctj n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctj n SER 8 N 1.19 1.62 -4.73 1.61 3.41 -1.26 -4.93 113.62 110.53 2ctj n SER 8 Ca 0.16 1.14 -0.40 0.00 -0.26 0.00 0.00 58.87 59.51 2ctj n SER 8 Cb 0.60 -1.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.15 2ctj n SER 8 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ctj s ILE 9 N -1.14 4.91 0.26 -1.33 1.01 -1.26 -5.05 121.20 118.59 2ctj s ILE 9 Ca 0.59 1.55 -0.02 0.00 0.00 0.00 0.00 60.65 62.77 2ctj s ILE 9 Cb -0.62 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 37.74 2ctj s ILE 9 CO 0.60 0.30 0.29 0.00 0.00 0.00 0.00 174.94 176.12 2ctj s GLN 10 N 0.43 1.50 0.07 2.79 0.00 -1.26 -5.17 119.66 118.02 2ctj s GLN 10 Ca 0.39 -1.65 0.09 0.00 -0.00 0.00 0.00 55.36 54.19 2ctj s GLN 10 Cb -0.19 0.35 -0.03 0.00 0.00 0.00 0.00 33.01 33.14 2ctj s GLN 10 CO 0.21 -0.56 -0.24 0.15 0.00 0.00 0.00 175.29 174.85 2ctj s LYS 11 N -3.80 1.79 -0.22 9.60 -0.14 -1.26 -5.13 119.74 120.59 2ctj s LYS 11 Ca 0.34 -1.13 -0.29 0.00 -1.36 0.00 0.00 55.97 53.54 2ctj s LYS 11 Cb 0.03 -2.03 0.15 0.00 -1.68 0.00 0.00 37.83 34.30 2ctj s LYS 11 CO 0.16 0.50 1.13 0.34 -0.76 0.00 0.00 175.35 176.73 2ctj s ASP 12 N -1.53 -0.26 -0.06 2.83 -1.08 -1.26 -5.17 116.67 110.14 2ctj s ASP 12 Ca 0.13 0.33 -0.04 0.00 -0.52 0.00 0.00 52.55 52.45 2ctj s ASP 12 Cb -0.10 0.27 0.02 0.00 -1.46 0.00 0.00 42.92 41.65 2ctj s ASP 12 CO 0.04 -0.21 0.15 -0.76 0.52 0.00 0.00 175.17 174.91 2ctj s LEU 13 N -0.87 1.14 -0.17 -1.34 1.02 -1.26 -5.16 118.68 112.04 2ctj s LEU 13 Ca 0.02 0.31 -0.26 0.00 0.02 0.00 0.00 54.13 54.22 2ctj s LEU 13 Cb -0.01 0.46 0.07 0.00 0.02 0.00 0.00 46.19 46.72 2ctj s LEU 13 CO -0.03 -0.09 0.66 0.00 0.02 0.00 0.00 176.35 176.91 2ctj s ALA 14 N 0.53 -1.67 0.11 4.21 0.00 -1.26 -5.06 121.76 118.61 2ctj s ALA 14 Ca -0.04 1.62 -0.26 0.00 0.00 0.00 0.00 51.96 53.28 2ctj s ALA 14 Cb -0.05 -0.65 -0.10 0.00 0.00 0.00 0.00 23.12 22.33 2ctj s ALA 14 CO -0.02 -0.34 1.66 -0.97 0.00 0.00 0.00 175.76 176.09 2ctj h ASN 15 N 4.25 -0.56 -0.94 0.00 -1.24 -2.01 -3.44 115.58 111.63 2ctj h ASN 15 Ca -0.28 0.06 -0.45 0.00 0.71 0.00 0.00 56.30 56.34 2ctj h ASN 15 Cb 1.16 0.21 0.09 0.00 0.73 0.00 0.00 38.32 40.51 2ctj h ASN 15 CO 0.21 -0.29 -0.52 -0.38 -1.29 0.00 0.00 177.43 175.16 2ctj n ILE 16 N -5.33 0.90 -3.89 2.57 2.08 -1.26 -4.88 119.36 109.55 2ctj n ILE 16 Ca -0.07 -0.35 -0.35 0.00 0.56 0.00 0.00 62.75 62.54 2ctj n ILE 16 Cb 0.24 0.00 -0.14 0.00 -0.75 0.00 0.00 39.64 39.00 2ctj n ILE 16 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ctj s ALA 17 N -0.94 2.84 -0.45 -1.39 0.00 0.67 -4.92 121.76 117.56 2ctj s ALA 17 Ca 0.43 -1.66 -0.23 0.00 0.00 0.00 0.00 51.96 50.50 2ctj s ALA 17 Cb -0.54 -1.94 0.03 0.00 0.00 0.00 0.00 23.12 20.67 2ctj s ALA 17 CO 0.41 -1.14 0.80 -2.00 0.00 0.00 0.00 175.76 173.84 2ctj s GLU 18 N 1.31 3.43 -0.08 0.00 2.12 -1.26 -3.44 118.70 120.77 2ctj s GLU 18 Ca -0.03 -0.07 0.05 0.00 0.36 0.00 0.00 54.97 55.28 2ctj s GLU 18 Cb -0.19 -3.94 -0.00 0.00 0.26 0.00 0.00 34.13 30.26 2ctj s GLU 18 CO -0.01 -1.13 -0.24 0.08 -0.54 0.00 0.00 175.26 173.42 2ctj s VAL 19 N 3.34 2.09 0.01 3.70 1.01 -0.75 -4.97 120.40 124.83 2ctj s VAL 19 Ca 0.31 -1.03 0.07 0.00 0.00 0.00 0.00 61.98 61.33 2ctj s VAL 19 Cb -0.12 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 2ctj s VAL 19 CO 0.23 0.56 -0.20 -1.61 0.00 0.00 0.00 175.10 174.08 2ctj s GLU 20 N 0.13 2.12 0.02 2.72 2.02 -1.26 -0.92 118.70 123.54 2ctj s GLU 20 Ca -0.13 -0.93 0.07 0.00 0.02 0.00 0.00 54.97 54.00 2ctj s GLU 20 Cb -0.16 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 31.88 2ctj s GLU 20 CO 0.07 0.56 -0.21 0.54 0.02 0.00 0.00 175.26 176.24 2ctj s VAL 21 N -0.81 1.66 -0.40 2.63 0.11 -0.97 -4.95 120.40 117.68 2ctj s VAL 21 Ca 0.13 -1.09 -0.29 0.00 -2.93 0.00 0.00 61.98 57.79 2ctj s VAL 21 Cb -0.10 -1.42 0.02 0.00 -1.53 0.00 0.00 36.38 33.34 2ctj s VAL 21 CO 0.03 0.30 1.21 -0.55 -3.33 0.00 0.00 175.10 172.76 2ctj s SER 22 N -0.94 6.64 -0.14 3.54 0.15 -1.26 -2.05 113.70 119.64 2ctj s SER 22 Ca 0.08 0.80 -0.11 0.00 0.70 0.00 0.00 55.95 57.42 2ctj s SER 22 Cb -0.09 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.72 2ctj s SER 22 CO 0.01 -1.18 0.35 -0.63 1.20 0.00 0.00 173.24 172.99 2ctj s ILE 23 N 4.48 -0.01 0.63 6.45 1.01 -0.07 -5.02 121.20 128.68 2ctj s ILE 23 Ca 0.52 0.03 -0.16 0.00 0.00 0.00 0.00 60.65 61.04 2ctj s ILE 23 Cb -0.11 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.84 2ctj s ILE 23 CO 0.27 0.01 1.11 -2.16 0.00 0.00 0.00 174.94 174.17 2ctj s PRO 24 N 0.48 2.92 0.19 2.79 0.04 -1.26 -3.89 135.00 136.28 2ctj s PRO 24 Ca -0.02 1.43 -0.06 0.00 0.04 0.00 0.00 61.00 62.39 2ctj s PRO 24 Cb -0.04 -1.96 0.12 0.00 0.04 0.00 0.00 34.50 32.66 2ctj s PRO 24 CO -0.02 -1.16 1.58 0.00 0.04 0.00 0.00 177.00 177.44 2ctj h ALA 25 N 0.28 0.79 -0.78 8.56 0.00 -1.81 -2.81 119.26 123.49 2ctj h ALA 25 Ca -0.47 -0.40 0.23 0.00 0.00 0.00 0.00 54.91 54.26 2ctj h ALA 25 Cb 1.25 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2ctj h ALA 25 CO 0.55 0.65 0.74 1.57 0.00 0.00 0.00 179.25 182.76 2ctj h LYS 26 N 0.69 0.00 0.09 0.00 2.10 -1.95 0.16 116.57 117.67 2ctj h LYS 26 Ca 0.08 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.37 2ctj h LYS 26 Cb 0.82 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.12 2ctj h LYS 26 CO 0.07 0.00 -2.03 1.28 -2.00 0.00 0.00 179.45 176.77 2ctj n LEU 27 N -3.75 2.44 -0.01 7.07 4.77 -1.08 -4.37 117.00 122.07 2ctj n LEU 27 Ca 0.16 0.19 -0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2ctj n LEU 27 Cb 1.01 -0.92 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2ctj n LEU 27 CO 0.30 0.81 0.50 0.45 -1.33 0.00 0.00 177.39 178.12 2ctj h HIS 28 N 0.05 -0.04 -0.88 -1.77 3.86 -0.48 0.27 115.15 116.17 2ctj h HIS 28 Ca -0.43 0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.00 2ctj h HIS 28 Cb 2.02 0.02 -0.17 0.00 1.06 0.00 0.00 27.41 30.34 2ctj h HIS 28 CO 0.06 -0.01 -0.08 0.27 0.86 0.00 0.00 177.93 179.04 2ctj n ASN 29 N -2.99 -0.19 0.46 2.45 6.94 -1.17 -0.43 115.26 120.34 2ctj n ASN 29 Ca 0.00 1.51 -0.18 0.00 -0.02 0.00 0.00 54.58 55.88 2ctj n ASN 29 Cb 0.01 -0.51 -0.09 0.00 -2.36 0.00 0.00 39.78 36.83 2ctj n ASN 29 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2ctj h SER 30 N 0.00 -1.00 -0.85 0.53 0.02 -1.03 -2.18 113.55 109.04 2ctj h SER 30 Ca 0.49 0.03 0.22 0.00 -0.84 0.00 0.00 61.79 61.69 2ctj h SER 30 Cb 0.92 0.26 -0.13 0.00 0.14 0.00 0.00 62.40 63.59 2ctj h SER 30 CO -0.86 -0.65 0.26 -0.07 -1.14 0.00 0.00 176.83 174.37 2ctj h LEU 31 N -1.31 0.08 -0.40 5.07 3.38 0.19 0.11 115.31 122.43 2ctj h LEU 31 Ca -0.12 0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2ctj h LEU 31 Cb 0.90 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 2ctj h LEU 31 CO 0.20 -0.10 0.22 0.40 0.09 0.00 0.00 178.44 179.26 2ctj h ILE 32 N 0.26 1.02 0.00 1.22 2.04 -0.64 -3.31 117.51 118.10 2ctj h ILE 32 Ca 0.52 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 66.23 2ctj h ILE 32 Cb 1.01 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2ctj h ILE 32 CO -0.60 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.25 2ctj n GLY 33 N -1.21 -1.17 0.27 5.37 0.00 0.38 -2.83 105.19 106.00 2ctj n GLY 33 Ca 0.01 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 2ctj n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctj h THR 34 N 0.00 0.48 0.00 2.61 1.03 -1.87 -3.36 112.91 111.80 2ctj h THR 34 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2ctj h THR 34 Cb 0.00 0.48 0.00 0.00 -1.07 0.00 0.00 68.15 67.56 2ctj h THR 34 CO 0.00 0.00 -0.23 2.29 -0.01 0.00 0.00 175.52 177.57 2ctj n LYS 35 N -5.36 3.94 0.00 0.00 2.85 -1.26 -5.00 118.16 113.33 2ctj n LYS 35 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 2ctj n LYS 35 Cb 0.27 -0.52 0.00 0.00 -0.65 0.00 0.00 35.03 34.13 2ctj n LYS 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ctj n GLY 36 N 1.05 1.31 0.15 2.58 0.00 -1.18 -5.05 105.19 104.05 2ctj n GLY 36 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2ctj n GLY 36 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ctj h ARG 37 N 0.00 0.43 -0.98 1.61 2.43 -1.88 0.21 114.38 116.21 2ctj h ARG 37 Ca 0.00 -0.37 0.17 0.00 -0.81 0.00 0.00 59.98 58.97 2ctj h ARG 37 Cb 0.00 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 29.55 2ctj h ARG 37 CO 0.00 1.02 0.61 1.25 -1.51 0.00 0.00 179.97 181.34 2ctj h LEU 38 N -0.04 0.75 0.13 3.80 7.12 -1.77 0.48 115.31 125.78 2ctj h LEU 38 Ca -0.04 0.07 -0.27 0.00 0.13 0.00 0.00 57.88 57.77 2ctj h LEU 38 Cb 1.13 -0.07 0.01 0.00 -0.53 0.00 0.00 40.66 41.19 2ctj h LEU 38 CO 0.09 0.32 -1.32 0.40 -0.13 0.00 0.00 178.44 177.81 2ctj h ILE 39 N 0.76 1.14 -1.00 4.05 1.08 -1.56 -3.32 117.51 118.66 2ctj h ILE 39 Ca 0.52 -2.45 0.14 0.00 -0.39 0.00 0.00 64.86 62.68 2ctj h ILE 39 Cb 0.81 2.84 -0.09 0.00 -3.07 0.00 0.00 36.82 37.31 2ctj h ILE 39 CO -0.30 0.73 0.62 0.03 -0.69 0.00 0.00 178.15 178.54 2ctj h ARG 40 N -0.26 0.87 0.70 2.37 3.08 -0.36 -2.35 114.38 118.43 2ctj h ARG 40 Ca -0.27 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.70 2ctj h ARG 40 Cb 1.79 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.64 2ctj h ARG 40 CO 0.10 0.58 -0.39 0.77 -1.07 0.00 0.00 179.97 179.96 2ctj h SER 41 N 0.90 -0.95 -0.80 7.04 0.02 -1.05 -2.82 113.55 115.88 2ctj h SER 41 Ca 0.52 0.05 0.19 0.00 -0.84 0.00 0.00 61.79 61.71 2ctj h SER 41 Cb 0.64 0.27 -0.13 0.00 0.14 0.00 0.00 62.40 63.32 2ctj h SER 41 CO -0.30 -0.62 0.16 0.40 -1.14 0.00 0.00 176.83 175.33 2ctj h ILE 42 N -1.01 0.40 -0.55 3.27 2.04 -1.53 0.17 117.51 120.30 2ctj h ILE 42 Ca -0.09 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 65.81 2ctj h ILE 42 Cb 0.80 0.17 -0.11 0.00 -0.74 0.00 0.00 36.82 36.94 2ctj h ILE 42 CO 0.12 0.04 -0.16 0.24 0.00 0.00 0.00 178.15 178.39 2ctj h MET 43 N 0.21 -0.02 0.32 2.37 2.86 -1.21 0.30 114.93 119.77 2ctj h MET 43 Ca 0.47 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.09 2ctj h MET 43 Cb 0.86 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.53 2ctj h MET 43 CO -0.60 -0.01 -0.15 1.49 1.06 0.00 0.00 176.91 178.69 2ctj h GLU 44 N -0.02 -0.42 -0.98 1.72 4.22 -0.85 0.32 114.58 118.57 2ctj h GLU 44 Ca 0.26 0.03 0.34 0.00 0.08 0.00 0.00 59.36 60.07 2ctj h GLU 44 Cb 0.43 0.09 -0.17 0.00 0.50 0.00 0.00 28.75 29.61 2ctj h GLU 44 CO -0.58 -0.28 0.40 0.93 -2.18 0.00 0.00 179.01 177.30 2ctj h GLU 45 N -1.09 0.11 0.46 1.92 5.08 -0.61 -0.17 114.58 120.29 2ctj h GLU 45 Ca -0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2ctj h GLU 45 Cb 0.33 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2ctj h GLU 45 CO 0.07 0.08 -0.22 0.00 -1.00 0.00 0.00 179.01 177.94 2ctj n GLY 47 N -0.21 0.45 0.00 0.00 0.00 -0.07 -4.94 105.19 100.43 2ctj n GLY 47 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2ctj n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ctj n GLY 48 N 0.00 0.00 3.89 -0.02 0.00 0.11 -4.84 105.19 104.33 2ctj n GLY 48 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2ctj n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ctj s VAL 49 N 0.00 4.92 -0.13 1.61 -7.23 -1.19 -4.96 120.40 113.42 2ctj s VAL 49 Ca 0.00 0.35 -0.02 0.00 -1.81 0.00 0.00 61.98 60.50 2ctj s VAL 49 Cb 0.00 -3.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.21 2ctj s VAL 49 CO 0.00 -0.33 -0.05 -1.00 -0.31 0.00 0.00 175.10 173.41 2ctj s HIS 50 N -2.12 2.99 -0.03 2.82 0.09 -0.43 -4.61 115.29 114.00 2ctj s HIS 50 Ca 0.47 -0.23 0.02 0.00 -0.00 0.00 0.00 55.06 55.33 2ctj s HIS 50 Cb -0.11 -1.88 -0.03 0.00 -0.00 0.00 0.00 32.58 30.56 2ctj s HIS 50 CO 0.28 0.06 -0.09 0.42 -0.00 0.00 0.00 174.74 175.42 2ctj s ILE 51 N 0.02 3.53 -0.19 0.60 1.01 -1.26 -0.28 121.20 124.63 2ctj s ILE 51 Ca -0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 2ctj s ILE 51 Cb -0.13 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 2ctj s ILE 51 CO 0.03 0.51 -0.02 -1.00 0.00 0.00 0.00 174.94 174.46 2ctj s HIS 52 N -0.87 3.01 -0.20 3.97 3.76 0.11 -4.99 115.29 120.09 2ctj s HIS 52 Ca 0.14 -0.51 -0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2ctj s HIS 52 Cb -0.11 -2.06 0.05 0.00 1.11 0.00 0.00 32.58 31.58 2ctj s HIS 52 CO 0.04 -0.25 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.57 2ctj s PHE 53 N 0.95 1.96 0.28 1.40 0.08 -1.26 -3.08 117.98 118.31 2ctj s PHE 53 Ca 0.01 -1.38 -0.29 0.00 0.12 0.00 0.00 56.93 55.38 2ctj s PHE 53 Cb -0.14 -1.41 -0.10 0.00 -0.57 0.00 0.00 43.02 40.80 2ctj s PHE 53 CO 0.01 -0.69 1.25 -1.25 -0.10 0.00 0.00 175.22 174.44 2ctj s PRO 54 N 1.54 4.44 0.26 0.24 0.04 -1.26 -4.95 135.00 135.31 2ctj s PRO 54 Ca -0.02 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2ctj s PRO 54 Cb -0.17 -3.14 -0.13 0.00 0.04 0.00 0.00 34.50 31.09 2ctj s PRO 54 CO -0.07 -0.10 1.33 0.28 0.04 0.00 0.00 177.00 178.48 2ctj n VAL 55 N 1.46 1.23 -0.32 -0.36 0.31 -1.26 -4.80 118.33 114.59 2ctj n VAL 55 Ca 0.02 -0.31 0.11 0.00 -0.01 0.00 0.00 64.34 64.15 2ctj n VAL 55 Cb 0.43 -1.40 0.24 0.00 -0.91 0.00 0.00 33.84 32.19 2ctj n VAL 55 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2ctj h GLU 56 N 3.64 0.03 -1.03 5.55 3.07 -1.92 0.69 114.58 124.60 2ctj h GLU 56 Ca -0.45 -0.00 0.27 0.00 -0.50 0.00 0.00 59.36 58.68 2ctj h GLU 56 Cb 1.29 -0.01 -0.11 0.00 -0.84 0.00 0.00 28.75 29.08 2ctj h GLU 56 CO 0.71 0.02 0.64 0.78 -1.40 0.00 0.00 179.01 179.77 2ctj h GLY 57 N 0.03 1.57 0.88 -3.84 0.00 -2.00 0.28 103.07 100.01 2ctj h GLY 57 Ca 0.54 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 2ctj h GLY 57 CO -0.87 -0.21 0.07 0.23 0.00 0.00 0.00 176.54 175.75 2ctj h SER 58 N 0.47 0.42 0.00 0.19 0.87 0.06 -3.47 113.55 112.09 2ctj h SER 58 Ca 0.63 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 2ctj h SER 58 Cb 1.43 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2ctj h SER 58 CO -0.40 0.54 0.00 0.61 -0.53 0.00 0.00 176.83 177.05 2ctj n GLY 59 N -0.55 3.10 3.47 5.77 0.00 0.09 -4.99 105.19 112.07 2ctj n GLY 59 Ca -0.03 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.37 2ctj n GLY 59 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ctj n SER 60 N 0.14 1.12 -2.23 1.61 2.88 -1.26 -4.48 113.62 111.41 2ctj n SER 60 Ca 0.00 0.86 -0.30 0.00 -1.33 0.00 0.00 58.87 58.10 2ctj n SER 60 Cb 0.00 -0.94 0.08 0.00 -0.75 0.00 0.00 64.21 62.61 2ctj n SER 60 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2ctj n ASP 61 N 6.33 7.01 -4.01 -3.46 5.75 -1.26 -4.59 116.55 122.33 2ctj n ASP 61 Ca 0.44 -3.62 -0.31 0.00 -0.01 0.00 0.00 54.79 51.29 2ctj n ASP 61 Cb -0.02 -0.97 -0.16 0.00 -1.03 0.00 0.00 41.12 38.94 2ctj n ASP 61 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2ctj s THR 62 N -4.16 1.75 -0.52 2.12 2.01 -1.25 -0.89 115.64 114.69 2ctj s THR 62 Ca 0.57 -1.16 -0.19 0.00 0.31 0.00 0.00 61.69 61.22 2ctj s THR 62 Cb 0.45 -1.85 0.06 0.00 0.01 0.00 0.00 72.50 71.18 2ctj s THR 62 CO 0.00 0.11 0.66 -0.69 -0.69 0.00 0.00 174.62 174.01 2ctj s VAL 63 N 1.33 4.84 -0.29 3.82 1.01 -0.87 -4.71 120.40 125.53 2ctj s VAL 63 Ca -0.03 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.20 2ctj s VAL 63 Cb -0.17 -4.34 -0.00 0.00 0.00 0.00 0.00 36.38 31.87 2ctj s VAL 63 CO -0.08 -0.87 0.77 -0.69 0.00 0.00 0.00 175.10 174.23 2ctj s VAL 64 N 2.72 4.83 -0.04 2.92 1.01 -1.18 -2.30 120.40 128.37 2ctj s VAL 64 Ca 0.15 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.37 2ctj s VAL 64 Cb -0.19 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2ctj s VAL 64 CO 0.11 -0.19 -0.08 -0.63 0.00 0.00 0.00 175.10 174.31 2ctj s ILE 65 N 2.88 3.56 -0.01 2.22 1.01 -0.10 0.09 121.20 130.85 2ctj s ILE 65 Ca 0.32 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.39 2ctj s ILE 65 Cb -0.14 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 2ctj s ILE 65 CO 0.11 0.51 -0.21 -0.13 0.00 0.00 0.00 174.94 175.23 2ctj s ARG 66 N -1.04 1.65 0.00 2.79 0.52 0.61 -1.81 118.95 121.67 2ctj s ARG 66 Ca 0.14 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 2ctj s ARG 66 Cb -0.11 -1.63 0.00 0.00 0.52 0.00 0.00 34.95 33.73 2ctj s ARG 66 CO 0.04 0.44 0.00 0.41 0.02 0.00 0.00 175.30 176.21 2ctj n GLY 67 N 2.43 -0.08 3.63 -3.53 0.00 -1.22 -1.31 105.19 105.11 2ctj n GLY 67 Ca -0.16 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 2ctj n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctj s PRO 68 N -1.67 3.82 0.35 1.61 0.04 -1.26 -0.24 135.00 137.66 2ctj s PRO 68 Ca 0.00 1.68 0.29 0.00 0.04 0.00 0.00 61.00 63.01 2ctj s PRO 68 Cb 0.00 -4.03 1.16 0.00 0.04 0.00 0.00 34.50 31.67 2ctj s PRO 68 CO 0.00 -1.26 1.14 -1.13 0.04 0.00 0.00 177.00 175.79 2ctj n SER 69 N 8.34 0.10 -0.01 6.66 3.41 -1.26 0.17 113.62 131.02 2ctj n SER 69 Ca 0.19 0.91 -0.09 0.00 -0.26 0.00 0.00 58.87 59.61 2ctj n SER 69 Cb 0.45 -0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 63.92 2ctj n SER 69 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ctj h SER 70 N 0.00 -0.22 0.81 4.04 0.02 -1.99 0.10 113.55 116.31 2ctj h SER 70 Ca 0.66 0.05 -0.24 0.00 -0.84 0.00 0.00 61.79 61.42 2ctj h SER 70 Cb 2.34 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 64.98 2ctj h SER 70 CO -0.22 -0.09 -1.20 0.44 -1.14 0.00 0.00 176.83 174.62 2ctj h ASP 71 N -0.06 0.10 -0.04 3.07 3.32 0.13 -3.34 116.42 119.60 2ctj h ASP 71 Ca 0.07 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 2ctj h ASP 71 Cb 0.17 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2ctj h ASP 71 CO -0.17 1.09 0.02 0.58 -1.72 0.00 0.00 179.24 179.05 2ctj h VAL 72 N 0.02 1.06 -0.62 -1.35 2.07 -0.77 0.15 116.25 116.81 2ctj h VAL 72 Ca -0.10 -0.17 0.17 0.00 0.82 0.00 0.00 66.70 67.43 2ctj h VAL 72 Cb 1.86 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 2ctj h VAL 72 CO 0.13 0.05 0.44 1.05 0.02 0.00 0.00 177.57 179.27 2ctj h GLU 73 N -0.01 0.05 0.19 1.57 4.11 -0.92 0.20 114.58 119.77 2ctj h GLU 73 Ca 0.01 -0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.10 2ctj h GLU 73 Cb 0.06 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.31 2ctj h GLU 73 CO -0.00 0.03 -1.66 0.87 0.07 0.00 0.00 179.01 178.32 2ctj h LYS 74 N 0.05 0.40 -0.53 1.06 1.57 -1.52 -3.10 116.57 114.49 2ctj h LYS 74 Ca 0.30 -0.68 -0.08 0.00 -1.87 0.00 0.00 60.65 58.31 2ctj h LYS 74 Cb 1.12 0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.66 2ctj h LYS 74 CO -0.02 1.31 -0.00 0.00 -0.57 0.00 0.00 179.45 180.17 2ctj h ALA 75 N 0.20 1.00 0.23 3.86 0.00 0.73 -2.29 119.26 122.99 2ctj h ALA 75 Ca -0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 2ctj h ALA 75 Cb 2.10 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2ctj h ALA 75 CO 0.20 0.61 -0.11 -0.22 0.00 0.00 0.00 179.25 179.73 2ctj h LYS 76 N 0.83 -0.30 -0.40 0.00 3.11 -0.79 -1.27 116.57 117.75 2ctj h LYS 76 Ca 0.16 0.02 0.12 0.00 -2.81 0.00 0.00 60.65 58.13 2ctj h LYS 76 Cb 0.50 0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.78 2ctj h LYS 76 CO 0.02 0.03 0.31 1.57 -2.81 0.00 0.00 179.45 178.58 2ctj h LYS 77 N -0.66 0.00 0.13 1.90 2.10 -1.52 -0.22 116.57 118.30 2ctj h LYS 77 Ca -0.03 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.33 2ctj h LYS 77 Cb 0.47 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.82 2ctj h LYS 77 CO 0.05 0.00 -1.24 1.96 -2.00 0.00 0.00 179.45 178.22 2ctj h GLN 78 N 0.00 0.50 -0.22 0.07 4.20 -1.24 -3.05 115.11 115.37 2ctj h GLN 78 Ca 0.19 -0.71 -0.03 0.00 0.06 0.00 0.00 58.65 58.16 2ctj h GLN 78 Cb 0.81 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 2ctj h GLN 78 CO -0.00 1.32 0.02 1.25 -0.67 0.00 0.00 178.83 180.74 2ctj h LEU 79 N 0.20 0.36 -1.18 1.46 5.85 0.13 -2.27 115.31 119.86 2ctj h LEU 79 Ca -0.17 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.29 2ctj h LEU 79 Cb 1.93 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.81 2ctj h LEU 79 CO 0.23 0.55 0.56 -0.07 -0.34 0.00 0.00 178.44 179.37 2ctj h LEU 80 N 0.16 0.93 0.38 2.25 4.07 -1.33 0.75 115.31 122.51 2ctj h LEU 80 Ca 0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 2ctj h LEU 80 Cb 0.36 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.88 2ctj h LEU 80 CO 0.01 0.65 -0.18 -0.74 -1.08 0.00 0.00 178.44 177.10 2ctj h HIS 81 N 1.08 -0.47 0.78 1.13 2.76 -1.40 -3.00 115.15 116.03 2ctj h HIS 81 Ca 0.33 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.45 2ctj h HIS 81 Cb -0.03 0.15 0.01 0.00 1.55 0.00 0.00 27.41 29.10 2ctj h HIS 81 CO -0.00 -0.20 -0.38 -0.07 -1.30 0.00 0.00 177.93 175.99 2ctj h LEU 82 N -0.68 -0.89 -0.71 0.26 3.38 -1.17 -1.37 115.31 114.12 2ctj h LEU 82 Ca -0.05 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.06 2ctj h LEU 82 Cb 0.48 0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.34 2ctj h LEU 82 CO 0.08 -0.61 -0.25 0.00 0.09 0.00 0.00 178.44 177.75 2ctj n ALA 83 N -2.57 -0.03 -0.07 1.53 0.00 0.24 0.99 120.51 120.60 2ctj n ALA 83 Ca -0.14 0.72 -0.12 0.00 0.00 0.00 0.00 53.44 53.90 2ctj n ALA 83 Cb 0.42 -0.35 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 2ctj n ALA 83 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ctj h GLU 84 N 0.00 0.41 -0.19 0.00 4.39 -1.43 -3.19 114.58 114.57 2ctj h GLU 84 Ca 0.27 -0.18 0.05 0.00 0.34 0.00 0.00 59.36 59.84 2ctj h GLU 84 Cb 0.45 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.01 2ctj h GLU 84 CO -0.71 0.70 -0.32 0.93 -1.16 0.00 0.00 179.01 178.45 2ctj h GLU 85 N 0.11 -0.35 -0.32 2.33 4.39 0.18 -2.79 114.58 118.13 2ctj h GLU 85 Ca 0.04 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.80 2ctj h GLU 85 Cb 0.58 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.25 2ctj h GLU 85 CO 0.03 -0.23 -0.36 0.87 -1.16 0.00 0.00 179.01 178.16 2ctj h LYS 86 N -0.36 -0.21 -7.01 2.33 6.56 -0.68 -3.40 116.57 113.80 2ctj h LYS 86 Ca 0.11 0.01 -0.52 0.00 -1.06 0.00 0.00 60.65 59.19 2ctj h LYS 86 Cb 0.54 0.05 0.09 0.00 -0.57 0.00 0.00 32.23 32.33 2ctj h LYS 86 CO -0.39 -0.14 0.54 1.14 -2.06 0.00 0.00 179.45 178.54 2ctj s GLN 87 N -4.67 3.62 0.09 3.15 -2.07 -1.05 -5.00 119.66 113.73 2ctj s GLN 87 Ca -0.09 1.95 -0.23 0.00 -1.82 0.00 0.00 55.36 55.18 2ctj s GLN 87 Cb 0.06 -2.42 -0.07 0.00 -1.09 0.00 0.00 33.01 29.49 2ctj s GLN 87 CO 0.39 -0.72 0.69 0.99 -1.32 0.00 0.00 175.29 175.32 2ctj s THR 88 N -1.44 4.63 0.00 3.63 2.01 -1.26 -4.88 115.64 118.33 2ctj s THR 88 Ca 0.65 1.48 0.00 0.00 0.31 0.00 0.00 61.69 64.13 2ctj s THR 88 Cb -0.33 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.14 2ctj s THR 88 CO 0.40 0.48 0.00 2.29 -0.69 0.00 0.00 174.62 177.11 2ctj n LYS 89 N 2.05 0.86 -4.05 4.92 0.00 -1.26 -5.12 118.16 115.56 2ctj n LYS 89 Ca -0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.13 2ctj n LYS 89 Cb 0.50 -0.84 -0.06 0.00 -0.00 0.00 0.00 35.03 34.63 2ctj n LYS 89 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2ctj s SER 90 N -3.28 0.22 0.00 -5.58 1.04 -1.26 -5.15 113.70 99.70 2ctj s SER 90 Ca 0.00 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.27 2ctj s SER 90 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2ctj s SER 90 CO 0.00 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.69 2ctj n GLY 91 N -0.41 0.50 3.70 7.32 0.00 -1.26 -5.03 105.19 110.00 2ctj n GLY 91 Ca -0.00 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 2ctj n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctj s PRO 92 N -0.00 4.29 -0.31 1.61 0.04 -1.26 -4.98 135.00 134.39 2ctj s PRO 92 Ca 0.00 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 62.81 2ctj s PRO 92 Cb 0.00 -3.48 0.01 0.00 0.04 0.00 0.00 34.50 31.07 2ctj s PRO 92 CO 0.00 -0.54 0.89 -1.12 0.04 0.00 0.00 177.00 176.26 2ctj s SER 93 N 1.69 6.76 0.18 6.66 0.01 -1.26 -4.94 113.70 122.80 2ctj s SER 93 Ca 0.65 0.80 -0.15 0.00 1.31 0.00 0.00 55.95 58.56 2ctj s SER 93 Cb -0.34 -2.45 0.15 0.00 0.21 0.00 0.00 66.02 63.59 2ctj s SER 93 CO 0.28 -0.70 1.67 0.28 0.41 0.00 0.00 173.24 175.18 2ctj h SER 94 N 8.09 -0.31 0.00 2.44 0.02 -2.03 -3.57 113.55 118.18 2ctj h SER 94 Ca -0.23 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2ctj h SER 94 Cb 1.08 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2ctj h SER 94 CO 0.93 -0.11 0.00 0.61 -1.14 0.00 0.00 176.83 177.12