#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 5.29 -0.22 1.61 1.04 -1.26 -5.11 113.70 115.05 2ctj s SER 2 Ca 0.00 0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.39 2ctj s SER 2 Cb 0.00 -1.48 0.06 0.00 0.10 0.00 0.00 66.02 64.71 2ctj s SER 2 CO 0.00 0.35 0.57 -0.94 0.98 0.00 0.00 173.24 174.20 2ctj s SER 3 N -1.12 -0.69 0.00 7.02 1.04 -1.26 -5.12 113.70 113.58 2ctj s SER 3 Ca 0.16 1.20 0.00 0.00 0.48 0.00 0.00 55.95 57.79 2ctj s SER 3 Cb -0.11 1.14 0.00 0.00 0.10 0.00 0.00 66.02 67.15 2ctj s SER 3 CO 0.05 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2ctj n GLY 4 N 3.61 0.76 2.93 7.32 0.00 -1.26 -4.92 105.19 113.64 2ctj n GLY 4 Ca -0.18 -1.63 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 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 -4.00 0.11 0.14 1.61 0.15 -1.26 -5.05 113.70 105.40 2ctj s SER 5 Ca 0.00 0.23 -0.27 0.00 0.70 0.00 0.00 55.95 56.61 2ctj s SER 5 Cb 0.00 1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 65.50 2ctj s SER 5 CO 0.00 -0.30 1.59 0.28 1.20 0.00 0.00 173.24 176.01 2ctj h SER 6 N 8.17 -1.27 -5.63 5.45 0.02 -2.05 -3.46 113.55 114.77 2ctj h SER 6 Ca -0.19 0.18 -0.30 0.00 -0.84 0.00 0.00 61.79 60.64 2ctj h SER 6 Cb 1.15 0.54 0.17 0.00 0.14 0.00 0.00 62.40 64.40 2ctj h SER 6 CO 0.27 -0.39 -0.86 0.61 -1.14 0.00 0.00 176.83 175.33 2ctj n GLY 7 N -1.42 -0.96 2.96 -3.77 0.00 -1.26 -5.03 105.19 95.70 2ctj n GLY 7 Ca -0.03 0.47 -0.11 0.00 0.00 0.00 0.00 46.02 46.35 2ctj n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctj s SER 8 N -3.61 0.06 -0.52 1.61 0.01 -1.26 -5.05 113.70 104.93 2ctj s SER 8 Ca 0.36 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.50 2ctj s SER 8 Cb -0.06 0.10 0.45 0.00 0.21 0.00 0.00 66.02 66.72 2ctj s SER 8 CO 0.76 -0.15 1.70 2.30 0.41 0.00 0.00 173.24 178.26 2ctj n ILE 9 N 2.41 3.19 -4.02 1.44 -5.35 -1.26 -4.94 119.36 110.83 2ctj n ILE 9 Ca -0.17 -3.46 -0.19 0.00 -0.27 0.00 0.00 62.75 58.65 2ctj n ILE 9 Cb 0.58 -1.15 -0.16 0.00 -1.74 0.00 0.00 39.64 37.16 2ctj n ILE 9 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2ctj s GLN 10 N -3.74 0.59 -0.32 6.28 -1.52 -1.26 -5.04 119.66 114.66 2ctj s GLN 10 Ca 0.59 -0.00 0.09 0.00 -1.95 0.00 0.00 55.36 54.08 2ctj s GLN 10 Cb 0.47 -0.71 0.46 0.00 -0.22 0.00 0.00 33.01 33.00 2ctj s GLN 10 CO 0.01 -0.13 1.16 1.17 -0.25 0.00 0.00 175.29 177.24 2ctj n LYS 11 N 4.23 3.32 -4.02 2.91 4.81 -1.26 -5.00 118.16 123.15 2ctj n LYS 11 Ca -0.23 -4.14 -0.31 0.00 -0.87 0.00 0.00 58.31 52.76 2ctj n LYS 11 Cb 0.51 -2.18 -0.16 0.00 0.02 0.00 0.00 35.03 33.22 2ctj n LYS 11 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2ctj s ASP 12 N -3.60 3.21 0.08 3.14 1.01 -1.26 -5.12 116.67 114.13 2ctj s ASP 12 Ca 0.47 -0.77 0.07 0.00 0.71 0.00 0.00 52.55 53.04 2ctj s ASP 12 Cb 0.40 -1.25 -0.03 0.00 1.01 0.00 0.00 42.92 43.05 2ctj s ASP 12 CO -0.01 -0.11 -0.20 -0.76 0.21 0.00 0.00 175.17 174.30 2ctj s LEU 13 N 1.40 2.24 0.24 1.23 1.02 -1.26 -5.15 118.68 118.40 2ctj s LEU 13 Ca 0.01 -0.61 -0.21 0.00 0.02 0.00 0.00 54.13 53.34 2ctj s LEU 13 Cb -0.15 -0.88 0.03 0.00 0.02 0.00 0.00 46.19 45.22 2ctj s LEU 13 CO -0.09 0.09 0.66 0.00 0.02 0.00 0.00 176.35 177.03 2ctj s ALA 14 N -1.02 -1.28 0.01 4.21 0.00 -1.26 -5.06 121.76 117.36 2ctj s ALA 14 Ca 0.06 -0.10 -0.20 0.00 0.00 0.00 0.00 51.96 51.72 2ctj s ALA 14 Cb -0.09 0.87 -0.21 0.00 0.00 0.00 0.00 23.12 23.69 2ctj s ALA 14 CO 0.03 -0.94 1.15 -2.95 0.00 0.00 0.00 175.76 173.05 2ctj h ASN 15 N 2.02 0.46 -0.71 0.00 -1.07 -2.01 -3.46 115.58 110.81 2ctj h ASN 15 Ca -0.24 -0.69 -0.48 0.00 0.07 0.00 0.00 56.30 54.96 2ctj h ASN 15 Cb 1.27 -0.14 0.07 0.00 -2.07 0.00 0.00 38.32 37.46 2ctj h ASN 15 CO 0.29 1.08 -0.34 -0.38 0.07 0.00 0.00 177.43 178.14 2ctj n ILE 16 N -4.34 1.30 -3.68 6.14 2.08 -1.26 -4.84 119.36 114.76 2ctj n ILE 16 Ca -0.09 -0.32 -0.39 0.00 0.56 0.00 0.00 62.75 62.51 2ctj n ILE 16 Cb 0.57 0.00 -0.12 0.00 -0.75 0.00 0.00 39.64 39.34 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 -0.65 3.16 -0.41 -1.39 0.00 0.78 -4.92 121.76 118.33 2ctj s ALA 17 Ca 0.47 -1.77 -0.23 0.00 0.00 0.00 0.00 51.96 50.42 2ctj s ALA 17 Cb -0.68 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.03 2ctj s ALA 17 CO 0.40 -1.39 0.79 -2.00 0.00 0.00 0.00 175.76 173.55 2ctj s GLU 18 N 1.46 3.58 -0.09 0.00 -6.30 -1.26 -3.68 118.70 112.40 2ctj s GLU 18 Ca 0.00 0.10 0.02 0.00 -2.50 0.00 0.00 54.97 52.59 2ctj s GLU 18 Cb -0.20 -3.88 0.01 0.00 0.00 0.00 0.00 34.13 30.07 2ctj s GLU 18 CO 0.04 -0.99 -0.15 0.08 0.02 0.00 0.00 175.26 174.26 2ctj s VAL 19 N 3.21 1.44 0.04 3.70 1.01 -0.99 -4.99 120.40 123.81 2ctj s VAL 19 Ca 0.31 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.69 2ctj s VAL 19 Cb -0.13 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2ctj s VAL 19 CO 0.20 0.43 -0.02 -1.61 0.00 0.00 0.00 175.10 174.10 2ctj s GLU 20 N 0.79 2.62 0.03 2.72 2.02 -1.26 -1.82 118.70 123.81 2ctj s GLU 20 Ca -0.11 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.20 2ctj s GLU 20 Cb -0.16 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 2ctj s GLU 20 CO 0.02 0.58 -0.16 0.54 0.02 0.00 0.00 175.26 176.26 2ctj s VAL 21 N -1.16 1.27 -0.53 2.63 0.11 -0.86 -4.97 120.40 116.89 2ctj s VAL 21 Ca 0.22 -0.99 -0.28 0.00 -2.93 0.00 0.00 61.98 57.99 2ctj s VAL 21 Cb -0.11 -1.12 0.03 0.00 -1.53 0.00 0.00 36.38 33.64 2ctj s VAL 21 CO 0.13 0.11 1.13 -0.55 -3.33 0.00 0.00 175.10 172.59 2ctj s SER 22 N -1.02 6.51 -0.07 3.54 0.15 -1.26 -2.33 113.70 119.22 2ctj s SER 22 Ca 0.04 0.19 -0.06 0.00 0.70 0.00 0.00 55.95 56.83 2ctj s SER 22 Cb -0.08 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.72 2ctj s SER 22 CO 0.01 -1.34 0.17 -0.63 1.20 0.00 0.00 173.24 172.65 2ctj s ILE 23 N 4.58 -0.01 0.57 6.45 1.01 -0.89 -5.03 121.20 127.89 2ctj s ILE 23 Ca 0.43 0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.92 2ctj s ILE 23 Cb -0.08 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 2ctj s ILE 23 CO 0.27 0.01 1.12 -2.16 0.00 0.00 0.00 174.94 174.19 2ctj s PRO 24 N 0.24 3.22 0.04 2.79 0.04 -1.26 -4.09 135.00 135.99 2ctj s PRO 24 Ca -0.01 1.55 -0.22 0.00 0.04 0.00 0.00 61.00 62.36 2ctj s PRO 24 Cb -0.03 -1.99 -0.14 0.00 0.04 0.00 0.00 34.50 32.38 2ctj s PRO 24 CO -0.01 -0.94 1.46 0.00 0.04 0.00 0.00 177.00 177.55 2ctj h ALA 25 N 0.91 0.14 -1.09 8.56 0.00 -1.88 -2.81 119.26 123.08 2ctj h ALA 25 Ca -0.49 -0.19 0.40 0.00 0.00 0.00 0.00 54.91 54.63 2ctj h ALA 25 Cb 1.26 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.85 2ctj h ALA 25 CO 0.56 -0.17 0.64 1.57 0.00 0.00 0.00 179.25 181.86 2ctj h LYS 26 N -0.10 0.11 -0.01 0.00 2.10 -2.00 0.33 116.57 116.99 2ctj h LYS 26 Ca 0.03 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.62 2ctj h LYS 26 Cb 0.37 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2ctj h LYS 26 CO 0.01 0.07 -0.18 -0.07 -2.00 0.00 0.00 179.45 177.28 2ctj h LEU 27 N 0.11 0.18 -0.80 7.07 3.38 -1.92 -3.31 115.31 120.02 2ctj h LEU 27 Ca 0.81 -0.74 0.17 0.00 0.09 0.00 0.00 57.88 58.21 2ctj h LEU 27 Cb 2.19 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 42.74 2ctj h LEU 27 CO -0.63 0.89 -0.18 1.41 0.09 0.00 0.00 178.44 180.02 2ctj n HIS 28 N -4.57 0.31 -0.10 1.13 8.25 0.11 0.78 115.22 121.13 2ctj n HIS 28 Ca -0.09 0.98 -0.07 0.00 -0.26 0.00 0.00 57.72 58.28 2ctj n HIS 28 Cb 0.45 -0.98 -0.01 0.00 1.12 0.00 0.00 29.99 30.58 2ctj n HIS 28 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 2ctj h ASN 29 N 0.00 -0.88 0.33 0.41 2.35 -1.59 0.11 115.58 116.30 2ctj h ASN 29 Ca 0.39 0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 56.30 2ctj h ASN 29 Cb 0.62 0.43 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2ctj h ASN 29 CO -0.82 -0.28 -0.16 -1.28 -1.65 0.00 0.00 177.43 173.24 2ctj h SER 30 N -0.21 -0.37 -0.85 5.81 0.87 0.23 0.14 113.55 119.16 2ctj h SER 30 Ca 0.17 -0.10 0.21 0.00 -1.23 0.00 0.00 61.79 60.85 2ctj h SER 30 Cb 0.49 0.10 -0.13 0.00 -0.44 0.00 0.00 62.40 62.42 2ctj h SER 30 CO -0.49 -0.11 0.25 -0.07 -0.53 0.00 0.00 176.83 175.88 2ctj h LEU 31 N -0.63 0.07 -0.02 2.23 3.38 -0.61 -1.27 115.31 118.46 2ctj h LEU 31 Ca -0.04 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2ctj h LEU 31 Cb 0.45 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2ctj h LEU 31 CO 0.07 -0.10 -0.06 0.40 0.09 0.00 0.00 178.44 178.85 2ctj h ILE 32 N 0.26 1.49 0.00 1.22 2.04 -0.67 -3.29 117.51 118.57 2ctj h ILE 32 Ca 0.52 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2ctj h ILE 32 Cb 1.00 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 2ctj h ILE 32 CO -0.60 0.41 0.00 0.61 0.00 0.00 0.00 178.15 178.57 2ctj n GLY 33 N 0.63 0.51 0.13 5.37 0.00 0.48 -2.73 105.19 109.58 2ctj n GLY 33 Ca -0.09 -1.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.11 2ctj n GLY 33 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ctj n THR 34 N 0.00 1.52 -0.03 2.61 5.66 -1.26 -4.70 114.28 118.07 2ctj n THR 34 Ca 0.00 -0.48 -0.04 0.00 -3.05 0.00 0.00 64.05 60.49 2ctj n THR 34 Cb 0.00 -1.65 -0.04 0.00 -1.55 0.00 0.00 70.33 67.09 2ctj n THR 34 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2ctj n LYS 35 N -3.74 1.80 0.00 1.09 3.00 -1.26 -5.02 118.16 114.02 2ctj n LYS 35 Ca -0.49 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 57.83 2ctj n LYS 35 Cb 0.94 -1.14 0.00 0.00 0.00 0.00 0.00 35.03 34.83 2ctj n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ctj n GLY 36 N 2.90 -0.32 0.28 3.14 0.00 -1.24 -5.02 105.19 104.93 2ctj n GLY 36 Ca -0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.95 2ctj n GLY 36 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ctj h ARG 37 N 0.00 0.43 0.07 1.61 0.11 -1.96 0.27 114.38 114.90 2ctj h ARG 37 Ca 0.00 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 60.02 2ctj h ARG 37 Cb 0.00 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.00 2ctj h ARG 37 CO 0.00 0.38 -0.03 1.25 0.10 0.00 0.00 179.97 181.66 2ctj h LEU 38 N 0.42 -0.08 -0.03 0.08 7.12 -1.78 -1.41 115.31 119.63 2ctj h LEU 38 Ca 0.10 -0.03 -0.11 0.00 0.13 0.00 0.00 57.88 57.97 2ctj h LEU 38 Cb 0.13 0.02 0.01 0.00 -0.53 0.00 0.00 40.66 40.29 2ctj h LEU 38 CO -0.01 -0.02 -0.43 0.40 -0.13 0.00 0.00 178.44 178.26 2ctj h ILE 39 N -0.13 1.45 -0.64 4.05 1.08 -1.54 -3.30 117.51 118.48 2ctj h ILE 39 Ca -0.01 -1.91 0.13 0.00 -0.39 0.00 0.00 64.86 62.68 2ctj h ILE 39 Cb 0.11 2.51 -0.10 0.00 -3.07 0.00 0.00 36.82 36.26 2ctj h ILE 39 CO 0.02 0.55 0.05 0.03 -0.69 0.00 0.00 178.15 178.10 2ctj h ARG 40 N -0.18 0.16 -0.31 2.37 3.08 -0.48 -2.02 114.38 117.00 2ctj h ARG 40 Ca -0.04 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.05 2ctj h ARG 40 Cb 1.12 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.06 2ctj h ARG 40 CO 0.09 0.10 -0.51 1.03 -1.07 0.00 0.00 179.97 179.61 2ctj h SER 41 N 0.16 -1.67 -0.83 7.04 0.87 -1.33 -0.09 113.55 117.70 2ctj h SER 41 Ca 0.34 0.22 0.18 0.00 -1.23 0.00 0.00 61.79 61.30 2ctj h SER 41 Cb 0.56 0.69 -0.11 0.00 -0.44 0.00 0.00 62.40 63.09 2ctj h SER 41 CO -0.51 -0.42 0.34 0.40 -0.53 0.00 0.00 176.83 176.10 2ctj h ILE 42 N -0.44 0.57 -0.07 2.23 2.04 -1.48 0.35 117.51 120.71 2ctj h ILE 42 Ca 0.08 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.83 2ctj h ILE 42 Cb 0.62 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 2ctj h ILE 42 CO -0.53 0.08 -0.17 0.24 0.00 0.00 0.00 178.15 177.77 2ctj h MET 43 N 0.42 -0.23 0.52 2.37 2.86 -0.66 0.40 114.93 120.60 2ctj h MET 43 Ca 0.48 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 58.11 2ctj h MET 43 Cb 0.82 0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.54 2ctj h MET 43 CO -0.47 -0.15 -0.25 1.49 1.06 0.00 0.00 176.91 178.59 2ctj h GLU 44 N -0.24 -0.67 -0.83 1.72 4.57 -0.28 0.31 114.58 119.16 2ctj h GLU 44 Ca 0.08 0.05 0.21 0.00 -1.18 0.00 0.00 59.36 58.51 2ctj h GLU 44 Cb 0.35 0.15 -0.13 0.00 -0.16 0.00 0.00 28.75 28.96 2ctj h GLU 44 CO -0.21 -0.45 0.19 0.93 -1.18 0.00 0.00 179.01 178.29 2ctj h GLU 45 N -1.10 0.21 0.59 1.92 4.39 -0.36 -1.30 114.58 118.92 2ctj h GLU 45 Ca -0.07 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 2ctj h GLU 45 Cb 0.53 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2ctj h GLU 45 CO 0.12 0.14 -0.28 0.00 -1.16 0.00 0.00 179.01 177.83 2ctj n GLY 47 N -1.33 0.38 0.00 0.00 0.00 -0.49 -4.95 105.19 98.80 2ctj n GLY 47 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 3.91 -0.02 0.00 0.10 -4.85 105.19 104.34 2ctj n GLY 48 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 4.97 -0.17 1.61 -7.23 -1.19 -4.91 120.40 113.48 2ctj s VAL 49 Ca 0.00 0.03 -0.00 0.00 -1.81 0.00 0.00 61.98 60.19 2ctj s VAL 49 Cb 0.00 -3.84 0.00 0.00 0.56 0.00 0.00 36.38 33.11 2ctj s VAL 49 CO 0.00 -0.67 -0.14 -1.00 -0.31 0.00 0.00 175.10 172.98 2ctj s HIS 50 N -2.50 2.81 -0.22 2.82 0.09 0.13 -4.67 115.29 113.75 2ctj s HIS 50 Ca 0.45 -1.12 -0.09 0.00 -0.00 0.00 0.00 55.06 54.31 2ctj s HIS 50 Cb -0.10 -1.93 -0.04 0.00 -0.00 0.00 0.00 32.58 30.51 2ctj s HIS 50 CO 0.39 -0.54 0.11 0.42 -0.00 0.00 0.00 174.74 175.12 2ctj s ILE 51 N 1.00 4.95 -0.24 0.60 1.01 -1.26 -0.41 121.20 126.84 2ctj s ILE 51 Ca -0.02 0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 2ctj s ILE 51 Cb -0.15 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 2ctj s ILE 51 CO -0.03 0.39 0.03 -1.00 0.00 0.00 0.00 174.94 174.33 2ctj s HIS 52 N 0.88 3.04 -0.11 3.97 3.76 0.68 -5.00 115.29 122.50 2ctj s HIS 52 Ca 0.05 -0.72 -0.05 0.00 -0.15 0.00 0.00 55.06 54.20 2ctj s HIS 52 Cb -0.13 -2.19 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 2ctj s HIS 52 CO 0.03 -0.47 0.06 -0.06 -0.85 0.00 0.00 174.74 173.45 2ctj s PHE 53 N 1.54 3.33 0.84 1.40 0.08 -1.26 -1.46 117.98 122.45 2ctj s PHE 53 Ca 0.06 0.29 -0.11 0.00 0.12 0.00 0.00 56.93 57.28 2ctj s PHE 53 Cb -0.15 -1.89 0.10 0.00 -0.57 0.00 0.00 43.02 40.51 2ctj s PHE 53 CO 0.01 0.51 1.09 -1.25 -0.10 0.00 0.00 175.22 175.47 2ctj s PRO 54 N -0.72 1.71 -0.01 0.24 0.04 -1.26 -5.01 135.00 130.00 2ctj s PRO 54 Ca 0.12 0.98 -0.23 0.00 0.04 0.00 0.00 61.00 61.91 2ctj s PRO 54 Cb -0.12 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 2ctj s PRO 54 CO 0.03 -1.97 0.69 0.08 0.04 0.00 0.00 177.00 175.87 2ctj s VAL 55 N -2.92 4.89 0.26 -0.36 1.01 -1.26 -4.96 120.40 117.06 2ctj s VAL 55 Ca 0.62 1.46 -0.01 0.00 0.00 0.00 0.00 61.98 64.04 2ctj s VAL 55 Cb -0.18 -4.04 0.25 0.00 0.00 0.00 0.00 36.38 32.42 2ctj s VAL 55 CO 0.57 0.34 1.70 1.05 0.00 0.00 0.00 175.10 178.75 2ctj h GLU 56 N 6.03 0.34 0.42 2.72 4.11 -1.95 -1.83 114.58 124.43 2ctj h GLU 56 Ca -0.43 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 58.96 2ctj h GLU 56 Cb 1.20 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2ctj h GLU 56 CO 0.72 0.23 -0.20 0.78 0.07 0.00 0.00 179.01 180.60 2ctj h GLY 57 N 0.35 -0.59 -0.67 1.06 0.00 -1.99 -2.82 103.07 98.42 2ctj h GLY 57 Ca 0.47 0.22 0.31 0.00 0.00 0.00 0.00 47.33 48.33 2ctj h GLY 57 CO -0.50 -0.21 0.38 1.76 0.00 0.00 0.00 176.54 177.96 2ctj h SER 58 N -0.59 0.17 -0.76 0.19 0.02 -1.74 -3.45 113.55 107.38 2ctj h SER 58 Ca -0.06 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2ctj h SER 58 Cb 0.45 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2ctj h SER 58 CO 0.10 -0.24 0.00 0.61 -1.14 0.00 0.00 176.83 176.15 2ctj n GLY 59 N -1.34 0.78 3.05 -3.77 0.00 -1.06 -5.06 105.19 97.78 2ctj n GLY 59 Ca 0.29 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2ctj n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctj s SER 60 N -2.37 2.93 -0.60 1.61 0.15 -1.26 -5.00 113.70 109.16 2ctj s SER 60 Ca 0.00 -0.60 -0.01 0.00 0.70 0.00 0.00 55.95 56.04 2ctj s SER 60 Cb 0.00 -1.28 0.48 0.00 -1.71 0.00 0.00 66.02 63.51 2ctj s SER 60 CO 0.00 -0.05 2.01 0.47 1.20 0.00 0.00 173.24 176.86 2ctj n ASP 61 N 4.71 6.77 -4.26 5.45 8.00 -1.26 -4.55 116.55 131.42 2ctj n ASP 61 Ca -0.18 -3.71 -0.32 0.00 0.71 0.00 0.00 54.79 51.29 2ctj n ASP 61 Cb 0.49 -0.95 -0.16 0.00 -0.02 0.00 0.00 41.12 40.48 2ctj n ASP 61 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ctj s THR 62 N -4.35 2.35 -0.25 -3.53 2.01 -1.26 -2.08 115.64 108.53 2ctj s THR 62 Ca 0.61 -0.91 -0.09 0.00 0.31 0.00 0.00 61.69 61.61 2ctj s THR 62 Cb 0.49 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 2ctj s THR 62 CO 0.02 0.55 0.12 -0.69 -0.69 0.00 0.00 174.62 173.93 2ctj s VAL 63 N 0.39 4.81 -0.36 3.82 1.01 -0.98 -4.09 120.40 124.99 2ctj s VAL 63 Ca -0.16 -0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 2ctj s VAL 63 Cb -0.17 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 2ctj s VAL 63 CO 0.07 0.32 0.26 -0.69 0.00 0.00 0.00 175.10 175.06 2ctj s VAL 64 N 1.53 5.27 -0.02 2.92 1.01 -0.53 -2.03 120.40 128.55 2ctj s VAL 64 Ca 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 2ctj s VAL 64 Cb -0.15 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2ctj s VAL 64 CO 0.06 -0.09 0.06 -0.63 0.00 0.00 0.00 175.10 174.50 2ctj s ILE 65 N 1.73 4.64 0.03 2.22 1.01 -0.75 -0.23 121.20 129.85 2ctj s ILE 65 Ca 0.06 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.36 2ctj s ILE 65 Cb -0.18 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 2ctj s ILE 65 CO 0.11 0.39 -0.14 -0.13 0.00 0.00 0.00 174.94 175.16 2ctj s ARG 66 N -1.60 0.96 0.00 2.79 0.52 0.45 -2.36 118.95 119.71 2ctj s ARG 66 Ca 0.21 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 2ctj s ARG 66 Cb -0.12 -0.97 0.00 0.00 0.52 0.00 0.00 34.95 34.39 2ctj s ARG 66 CO 0.12 0.24 0.00 0.41 0.02 0.00 0.00 175.30 176.09 2ctj n GLY 67 N 1.99 0.21 3.63 -3.53 0.00 -1.24 -0.70 105.19 105.54 2ctj n GLY 67 Ca -0.18 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.80 3.74 0.17 1.61 0.04 -1.26 -0.16 135.00 137.34 2ctj s PRO 68 Ca 0.00 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 2ctj s PRO 68 Cb 0.00 -4.05 0.20 0.00 0.04 0.00 0.00 34.50 30.69 2ctj s PRO 68 CO 0.00 -1.36 1.13 -1.13 0.04 0.00 0.00 177.00 175.69 2ctj n SER 69 N 8.63 -0.45 -0.34 6.66 3.41 -1.26 0.11 113.62 130.39 2ctj n SER 69 Ca 0.19 1.27 0.09 0.00 -0.26 0.00 0.00 58.87 60.16 2ctj n SER 69 Cb 0.45 -0.30 0.19 0.00 -0.26 0.00 0.00 64.21 64.29 2ctj n SER 69 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ctj n SER 70 N -5.09 -0.26 0.02 4.04 7.64 -1.26 -0.81 113.62 117.90 2ctj n SER 70 Ca 0.08 1.64 -0.20 0.00 1.01 0.00 0.00 58.87 61.40 2ctj n SER 70 Cb 0.30 -0.54 -0.14 0.00 -1.01 0.00 0.00 64.21 62.83 2ctj n SER 70 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2ctj h ASP 71 N 0.00 0.37 -0.93 6.43 5.19 0.45 -3.35 116.42 124.58 2ctj h ASP 71 Ca 0.51 -0.91 0.25 0.00 -0.62 0.00 0.00 57.03 56.27 2ctj h ASP 71 Cb 0.89 -0.12 -0.17 0.00 0.18 0.00 0.00 39.33 40.12 2ctj h ASP 71 CO -0.96 1.43 0.09 0.58 -3.12 0.00 0.00 179.24 177.26 2ctj h VAL 72 N -0.44 0.13 -0.81 -1.35 2.07 0.14 1.10 116.25 117.09 2ctj h VAL 72 Ca -0.19 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.43 2ctj h VAL 72 Cb 1.60 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 2ctj h VAL 72 CO 0.09 0.01 0.53 1.05 0.02 0.00 0.00 177.57 179.27 2ctj h GLU 73 N 0.07 0.63 0.02 1.57 -0.00 -1.11 0.23 114.58 116.00 2ctj h GLU 73 Ca 0.57 -0.04 -0.21 0.00 -0.00 0.00 0.00 59.36 59.68 2ctj h GLU 73 Cb 1.16 -0.14 0.02 0.00 -0.00 0.00 0.00 28.75 29.79 2ctj h GLU 73 CO -0.82 0.42 -0.84 0.87 -0.00 0.00 0.00 179.01 178.64 2ctj h LYS 74 N 0.65 0.53 -0.95 1.06 1.57 0.10 -2.92 116.57 116.61 2ctj h LYS 74 Ca 0.39 -0.60 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2ctj h LYS 74 Cb 0.60 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.04 2ctj h LYS 74 CO -0.15 1.22 0.59 0.00 -0.57 0.00 0.00 179.45 180.54 2ctj h ALA 75 N 0.33 1.25 0.64 3.86 0.00 -0.21 -2.13 119.26 123.00 2ctj h ALA 75 Ca -0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2ctj h ALA 75 Cb 1.54 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2ctj h ALA 75 CO 0.17 0.65 -0.31 -0.22 0.00 0.00 0.00 179.25 179.54 2ctj h LYS 76 N 1.30 -0.83 -0.90 0.00 3.64 -1.05 -1.48 116.57 117.25 2ctj h LYS 76 Ca 0.34 0.06 0.26 0.00 -1.27 0.00 0.00 60.65 60.04 2ctj h LYS 76 Cb -0.08 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2ctj h LYS 76 CO -0.07 -0.51 0.66 1.57 -2.27 0.00 0.00 179.45 178.83 2ctj h LYS 77 N -1.09 0.00 -0.03 1.90 2.10 -1.44 0.16 116.57 118.18 2ctj h LYS 77 Ca -0.09 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.39 2ctj h LYS 77 Cb 0.70 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.05 2ctj h LYS 77 CO 0.14 0.00 -0.66 1.96 -2.00 0.00 0.00 179.45 178.89 2ctj h GLN 78 N 0.00 0.49 -0.32 0.07 4.20 -1.15 -2.18 115.11 116.22 2ctj h GLN 78 Ca 0.43 -0.50 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 2ctj h GLN 78 Cb 1.75 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.65 2ctj h GLN 78 CO -0.00 1.14 -0.03 1.25 -0.67 0.00 0.00 178.83 180.51 2ctj h LEU 79 N 0.05 0.58 -0.35 1.46 5.85 0.29 -2.16 115.31 121.02 2ctj h LEU 79 Ca -0.07 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 2ctj h LEU 79 Cb 1.35 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 2ctj h LEU 79 CO 0.13 0.77 0.14 -0.07 -0.34 0.00 0.00 178.44 179.07 2ctj h LEU 80 N 0.38 0.49 0.14 2.25 4.07 -0.99 0.22 115.31 121.86 2ctj h LEU 80 Ca 0.09 -0.17 0.01 0.00 0.08 0.00 0.00 57.88 57.88 2ctj h LEU 80 Cb 0.49 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 2ctj h LEU 80 CO 0.02 0.53 -0.20 -0.74 -1.08 0.00 0.00 178.44 176.97 2ctj h HIS 81 N 0.42 -0.52 0.71 1.13 2.76 -1.35 -2.19 115.15 116.12 2ctj h HIS 81 Ca 0.12 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 2ctj h HIS 81 Cb 0.20 0.21 0.01 0.00 1.55 0.00 0.00 27.41 29.38 2ctj h HIS 81 CO -0.00 -0.29 -0.34 -0.07 -1.30 0.00 0.00 177.93 175.93 2ctj h LEU 82 N -0.40 -0.81 -0.78 0.26 3.38 -1.33 -0.50 115.31 115.14 2ctj h LEU 82 Ca 0.02 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.14 2ctj h LEU 82 Cb 0.40 0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.23 2ctj h LEU 82 CO -0.09 -0.54 -0.30 0.00 0.09 0.00 0.00 178.44 177.60 2ctj n ALA 83 N -2.53 -0.09 -0.13 1.53 0.00 0.06 0.11 120.51 119.44 2ctj n ALA 83 Ca -0.12 0.78 -0.10 0.00 0.00 0.00 0.00 53.44 54.00 2ctj n ALA 83 Cb 0.38 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.65 0.16 0.00 4.39 -1.36 -3.19 114.58 115.23 2ctj h GLU 84 Ca 0.27 -0.18 0.02 0.00 0.34 0.00 0.00 59.36 59.81 2ctj h GLU 84 Cb 0.47 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2ctj h GLU 84 CO -0.77 0.71 -0.31 0.93 -1.16 0.00 0.00 179.01 178.41 2ctj h GLU 85 N 0.50 -0.54 -0.95 2.33 4.39 0.24 -2.24 114.58 118.30 2ctj h GLU 85 Ca 0.12 0.04 0.28 0.00 0.34 0.00 0.00 59.36 60.13 2ctj h GLU 85 Cb 0.38 0.12 -0.18 0.00 -0.10 0.00 0.00 28.75 28.98 2ctj h GLU 85 CO 0.01 -0.36 0.08 1.63 -1.16 0.00 0.00 179.01 179.21 2ctj n LYS 86 N -5.42 -0.07 -1.21 2.33 4.76 0.86 -4.55 118.16 114.86 2ctj n LYS 86 Ca -0.07 1.41 -0.47 0.00 -2.87 0.00 0.00 58.31 56.31 2ctj n LYS 86 Cb 0.33 -2.28 -0.07 0.00 -1.84 0.00 0.00 35.03 31.17 2ctj n LYS 86 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2ctj n GLN 87 N -5.38 0.00 0.04 1.97 6.02 -0.85 -4.72 117.38 114.47 2ctj n GLN 87 Ca 0.24 0.00 0.21 0.00 -0.01 0.00 0.00 57.00 57.45 2ctj n GLN 87 Cb 0.80 -1.10 0.73 0.00 1.02 0.00 0.00 30.24 31.69 2ctj n GLN 87 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ctj h THR 88 N 3.07 0.45 -3.21 5.09 1.03 -1.88 -3.40 112.91 114.06 2ctj h THR 88 Ca -0.34 0.00 -0.56 0.00 -0.01 0.00 0.00 66.41 65.50 2ctj h THR 88 Cb 1.02 0.65 -0.03 0.00 -1.07 0.00 0.00 68.15 68.72 2ctj h THR 88 CO 0.62 0.00 -0.25 -0.75 -0.01 0.00 0.00 175.52 175.14 2ctj s LYS 89 N -4.72 3.65 -0.06 0.00 2.36 -1.26 -5.10 119.74 114.62 2ctj s LYS 89 Ca -0.04 -0.01 -0.01 0.00 -2.55 0.00 0.00 55.97 53.35 2ctj s LYS 89 Cb 0.17 -2.77 0.03 0.00 -1.05 0.00 0.00 37.83 34.20 2ctj s LYS 89 CO 0.60 0.39 -0.00 0.45 1.55 0.00 0.00 175.35 178.34 2ctj s SER 90 N -2.58 1.26 0.08 1.43 0.15 -1.26 -4.96 113.70 107.82 2ctj s SER 90 Ca 0.43 -0.08 0.09 0.00 0.70 0.00 0.00 55.95 57.10 2ctj s SER 90 Cb -0.12 -0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 63.77 2ctj s SER 90 CO 0.25 -0.16 -0.25 -0.83 1.20 0.00 0.00 173.24 173.45 2ctj s GLY 91 N 1.63 1.40 -0.64 9.45 0.00 -1.26 -5.07 107.32 112.82 2ctj s GLY 91 Ca -0.00 -1.30 -0.26 0.00 0.00 0.00 0.00 44.72 43.16 2ctj s GLY 91 CO -0.04 -1.23 1.87 2.56 0.00 0.00 0.00 173.10 176.27 2ctj s PRO 92 N -1.53 2.62 0.16 2.90 0.04 -1.26 -4.97 135.00 132.96 2ctj s PRO 92 Ca 0.11 0.51 0.05 0.00 0.04 0.00 0.00 61.00 61.71 2ctj s PRO 92 Cb -0.10 -4.46 -0.04 0.00 0.04 0.00 0.00 34.50 29.95 2ctj s PRO 92 CO 0.03 -2.80 0.14 -1.12 0.04 0.00 0.00 177.00 173.30 2ctj s SER 93 N 8.07 5.58 0.12 6.66 0.01 -1.26 -5.04 113.70 127.84 2ctj s SER 93 Ca 0.67 -0.10 -0.28 0.00 1.31 0.00 0.00 55.95 57.55 2ctj s SER 93 Cb -0.12 -1.48 -0.16 0.00 0.21 0.00 0.00 66.02 64.48 2ctj s SER 93 CO 0.18 0.07 0.61 -1.20 0.41 0.00 0.00 173.24 173.31 2ctj n SER 94 N -0.33 -0.77 0.00 2.44 7.64 -1.26 -5.33 113.62 116.01 2ctj n SER 94 Ca -0.08 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.80 2ctj n SER 94 Cb 0.54 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2ctj n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64