#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 1.37 -1.05 1.61 0.01 -1.26 -5.09 113.70 109.30 2ctj s SER 2 Ca 0.00 -1.68 -0.18 0.00 1.31 0.00 0.00 55.95 55.41 2ctj s SER 2 Cb 0.00 0.51 0.13 0.00 0.21 0.00 0.00 66.02 66.87 2ctj s SER 2 CO 0.00 -1.01 1.30 -0.44 0.41 0.00 0.00 173.24 173.50 2ctj s SER 3 N -3.33 6.76 0.00 2.44 0.01 -1.26 -4.57 113.70 113.75 2ctj s SER 3 Ca 0.40 -2.28 0.00 0.00 1.31 0.00 0.00 55.95 55.38 2ctj s SER 3 Cb 0.03 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2ctj s SER 3 CO 0.24 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.47 2ctj n GLY 4 N 5.24 -1.15 3.71 3.44 0.00 -1.26 -5.12 105.19 110.06 2ctj n GLY 4 Ca 0.30 0.34 -0.40 0.00 0.00 0.00 0.00 46.02 46.26 2ctj n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctj n SER 5 N -0.95 2.65 -4.69 1.61 3.41 -1.26 -4.98 113.62 109.40 2ctj n SER 5 Ca 0.00 1.09 -0.29 0.00 -0.26 0.00 0.00 58.87 59.41 2ctj n SER 5 Cb 0.00 -1.52 0.16 0.00 -0.26 0.00 0.00 64.21 62.59 2ctj n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2ctj s SER 6 N -0.58 2.97 0.07 4.04 0.01 -1.26 -4.86 113.70 114.10 2ctj s SER 6 Ca 0.63 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.91 2ctj s SER 6 Cb -0.48 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2ctj s SER 6 CO 0.57 -2.89 0.00 0.61 0.41 0.00 0.00 173.24 171.93 2ctj n GLY 7 N -1.69 -4.34 3.61 3.44 0.00 -1.26 -5.11 105.19 99.83 2ctj n GLY 7 Ca 0.06 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.53 2ctj n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctj s SER 8 N -0.23 -0.20 0.00 1.61 0.15 -1.26 -5.06 113.70 108.71 2ctj s SER 8 Ca 0.00 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.89 2ctj s SER 8 Cb 0.00 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2ctj s SER 8 CO 0.00 -0.17 0.00 -0.38 1.20 0.00 0.00 173.24 173.89 2ctj n ILE 9 N 0.75 0.00 -3.52 6.45 5.41 -1.26 -5.06 119.36 122.14 2ctj n ILE 9 Ca -0.06 0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.49 2ctj n ILE 9 Cb 0.58 -0.39 0.06 0.00 -0.71 0.00 0.00 39.64 39.18 2ctj n ILE 9 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2ctj n GLN 10 N -1.40 -4.34 -3.73 0.38 -0.06 -1.26 -5.01 117.38 101.96 2ctj n GLN 10 Ca 0.00 0.72 -0.13 0.00 -2.00 0.00 0.00 57.00 55.59 2ctj n GLN 10 Cb 0.25 -5.40 -0.09 0.00 -4.06 0.00 0.00 30.24 20.93 2ctj n GLN 10 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2ctj s LYS 11 N -5.43 0.56 -0.01 3.69 1.02 -1.26 -5.17 119.74 113.14 2ctj s LYS 11 Ca 0.16 0.38 -0.30 0.00 0.02 0.00 0.00 55.97 56.24 2ctj s LYS 11 Cb -0.03 0.27 0.11 0.00 -0.52 0.00 0.00 37.83 37.65 2ctj s LYS 11 CO 0.78 -0.10 1.16 -0.51 -0.92 0.00 0.00 175.35 175.76 2ctj s ASP 12 N -0.21 -0.13 0.44 2.83 1.01 -1.26 -5.15 116.67 114.20 2ctj s ASP 12 Ca -0.04 -0.17 -0.21 0.00 0.71 0.00 0.00 52.55 52.85 2ctj s ASP 12 Cb -0.03 0.26 -0.14 0.00 1.01 0.00 0.00 42.92 44.02 2ctj s ASP 12 CO 0.02 -0.46 0.27 0.00 0.21 0.00 0.00 175.17 175.21 2ctj n LEU 13 N -0.39 -1.59 -3.94 1.23 -0.00 -1.26 -4.99 117.00 106.05 2ctj n LEU 13 Ca -0.06 0.82 -0.11 0.00 -0.00 0.00 0.00 56.01 56.65 2ctj n LEU 13 Cb 0.61 -0.99 -0.13 0.00 -0.00 0.00 0.00 43.42 42.92 2ctj n LEU 13 CO 0.12 -3.70 -0.37 0.00 -0.00 0.00 0.00 177.39 173.44 2ctj s ALA 14 N -1.65 0.16 -0.16 1.47 0.00 -1.26 -5.07 121.76 115.26 2ctj s ALA 14 Ca 0.61 -0.35 -0.23 0.00 0.00 0.00 0.00 51.96 51.99 2ctj s ALA 14 Cb -0.59 0.05 -0.24 0.00 0.00 0.00 0.00 23.12 22.35 2ctj s ALA 14 CO 0.61 -0.06 0.53 -2.95 0.00 0.00 0.00 175.76 173.89 2ctj h ASN 15 N 5.35 0.09 -0.85 0.00 7.08 -2.00 -3.47 115.58 121.78 2ctj h ASN 15 Ca -0.29 -0.78 -0.60 0.00 -3.08 0.00 0.00 56.30 51.55 2ctj h ASN 15 Cb 1.21 -0.03 0.08 0.00 -2.08 0.00 0.00 38.32 37.50 2ctj h ASN 15 CO 0.46 1.32 -0.31 -0.38 -2.08 0.00 0.00 177.43 176.43 2ctj n ILE 16 N -4.40 1.24 -3.73 6.14 2.08 -1.26 -4.84 119.36 114.59 2ctj n ILE 16 Ca -0.21 -0.31 -0.38 0.00 0.56 0.00 0.00 62.75 62.41 2ctj n ILE 16 Cb 0.65 0.00 -0.12 0.00 -0.75 0.00 0.00 39.64 39.42 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 -0.62 3.09 -0.43 -1.39 0.00 0.76 -4.91 121.76 118.27 2ctj s ALA 17 Ca 0.61 -1.90 -0.25 0.00 0.00 0.00 0.00 51.96 50.42 2ctj s ALA 17 Cb -0.87 -2.34 0.02 0.00 0.00 0.00 0.00 23.12 19.93 2ctj s ALA 17 CO 0.48 -1.44 0.89 -2.00 0.00 0.00 0.00 175.76 173.69 2ctj s GLU 18 N 1.37 3.62 -0.10 0.00 2.12 -1.26 -3.79 118.70 120.66 2ctj s GLU 18 Ca -0.00 0.25 0.03 0.00 0.36 0.00 0.00 54.97 55.61 2ctj s GLU 18 Cb -0.21 -3.88 0.01 0.00 0.26 0.00 0.00 34.13 30.31 2ctj s GLU 18 CO 0.02 -1.10 -0.19 0.08 -0.54 0.00 0.00 175.26 173.53 2ctj s VAL 19 N 3.56 1.72 0.22 3.70 1.01 -0.88 -4.98 120.40 124.75 2ctj s VAL 19 Ca 0.36 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.60 2ctj s VAL 19 Cb -0.11 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2ctj s VAL 19 CO 0.23 0.48 0.13 -1.61 0.00 0.00 0.00 175.10 174.34 2ctj s GLU 20 N 0.58 2.78 -0.01 2.72 8.01 -1.26 -1.42 118.70 130.10 2ctj s GLU 20 Ca -0.15 -1.06 -0.04 0.00 0.01 0.00 0.00 54.97 53.73 2ctj s GLU 20 Cb -0.17 -2.51 -0.00 0.00 -4.31 0.00 0.00 34.13 27.15 2ctj s GLU 20 CO 0.05 0.42 0.08 0.54 0.01 0.00 0.00 175.26 176.36 2ctj s VAL 21 N -2.02 0.06 -0.30 2.63 0.11 -0.44 -4.98 120.40 115.46 2ctj s VAL 21 Ca 0.32 -0.52 -0.27 0.00 -2.93 0.00 0.00 61.98 58.57 2ctj s VAL 21 Cb -0.08 -0.29 0.01 0.00 -1.53 0.00 0.00 36.38 34.49 2ctj s VAL 21 CO 0.23 -0.29 0.97 -0.55 -3.33 0.00 0.00 175.10 172.14 2ctj s SER 22 N -0.93 6.87 -0.20 3.54 0.15 -1.26 -1.84 113.70 120.03 2ctj s SER 22 Ca -0.10 0.97 -0.17 0.00 0.70 0.00 0.00 55.95 57.34 2ctj s SER 22 Cb -0.06 -2.50 0.05 0.00 -1.71 0.00 0.00 66.02 61.81 2ctj s SER 22 CO 0.00 -0.76 0.53 -0.63 1.20 0.00 0.00 173.24 173.58 2ctj s ILE 23 N 3.36 -0.00 0.69 6.45 1.01 0.04 -5.00 121.20 127.75 2ctj s ILE 23 Ca 0.41 0.01 -0.14 0.00 0.00 0.00 0.00 60.65 60.93 2ctj s ILE 23 Cb -0.13 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.61 2ctj s ILE 23 CO 0.13 0.00 1.10 -2.16 0.00 0.00 0.00 174.94 174.02 2ctj s PRO 24 N 0.47 2.64 0.26 2.79 0.04 -1.26 -3.81 135.00 136.13 2ctj s PRO 24 Ca -0.02 1.32 0.14 0.00 0.04 0.00 0.00 61.00 62.48 2ctj s PRO 24 Cb -0.04 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.67 2ctj s PRO 24 CO -0.02 -1.36 1.46 0.00 0.04 0.00 0.00 177.00 177.11 2ctj h ALA 25 N -0.32 0.65 0.00 8.56 0.00 -1.92 -3.09 119.26 123.15 2ctj h ALA 25 Ca -0.46 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 53.89 2ctj h ALA 25 Cb 1.24 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ctj h ALA 25 CO 0.53 0.76 -0.08 1.57 0.00 0.00 0.00 179.25 182.03 2ctj h LYS 26 N 0.00 0.00 0.05 0.00 2.10 -1.97 -2.54 116.57 114.21 2ctj h LYS 26 Ca -0.01 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 2ctj h LYS 26 Cb 1.39 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.68 2ctj h LYS 26 CO 0.08 0.08 -1.88 1.28 -2.00 0.00 0.00 179.45 177.00 2ctj n LEU 27 N -3.67 1.60 -0.22 7.07 4.77 -1.20 -4.33 117.00 121.01 2ctj n LEU 27 Ca -0.02 0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 56.19 2ctj n LEU 27 Cb 0.18 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2ctj n LEU 27 CO 0.29 0.60 0.59 0.45 -1.33 0.00 0.00 177.39 177.98 2ctj h HIS 28 N 0.03 -1.17 -1.10 -1.77 3.86 -1.37 0.44 115.15 114.08 2ctj h HIS 28 Ca -0.36 0.08 0.33 0.00 -1.16 0.00 0.00 60.37 59.26 2ctj h HIS 28 Cb 2.03 0.60 -0.12 0.00 1.06 0.00 0.00 27.41 30.98 2ctj h HIS 28 CO 0.03 -0.41 0.69 -0.91 0.86 0.00 0.00 177.93 178.19 2ctj h ASN 29 N -0.19 0.43 0.25 2.45 4.21 -1.75 0.12 115.58 121.10 2ctj h ASN 29 Ca 0.21 0.13 -0.01 0.00 1.21 0.00 0.00 56.30 57.84 2ctj h ASN 29 Cb 0.56 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 2ctj h ASN 29 CO -0.71 -0.05 -0.12 0.28 -1.29 0.00 0.00 177.43 175.54 2ctj h SER 30 N 0.30 -0.29 -0.84 5.81 0.02 -0.41 -3.03 113.55 115.11 2ctj h SER 30 Ca 0.70 0.01 0.21 0.00 -0.84 0.00 0.00 61.79 61.87 2ctj h SER 30 Cb 1.83 0.07 -0.14 0.00 0.14 0.00 0.00 62.40 64.30 2ctj h SER 30 CO -0.43 0.09 0.12 -0.07 -1.14 0.00 0.00 176.83 175.40 2ctj h LEU 31 N -0.93 -0.19 0.32 5.07 3.38 -0.31 -1.75 115.31 120.90 2ctj h LEU 31 Ca -0.03 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2ctj h LEU 31 Cb 0.26 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2ctj h LEU 31 CO 0.06 -0.19 -0.36 0.40 0.09 0.00 0.00 178.44 178.44 2ctj h ILE 32 N 0.14 0.00 0.00 1.22 2.04 -0.90 -3.31 117.51 116.70 2ctj h ILE 32 Ca 0.50 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.36 2ctj h ILE 32 Cb 0.97 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2ctj h ILE 32 CO -0.69 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.07 2ctj n GLY 33 N -1.39 2.16 0.21 5.37 0.00 -0.66 -2.43 105.19 108.45 2ctj n GLY 33 Ca -0.08 -2.10 -0.01 0.00 0.00 0.00 0.00 46.02 43.83 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 0.68 -0.63 2.61 1.03 -1.87 -2.88 112.91 111.85 2ctj h THR 34 Ca 0.00 -0.08 -0.45 0.00 -0.01 0.00 0.00 66.41 65.86 2ctj h THR 34 Cb 0.00 0.42 -0.39 0.00 -1.07 0.00 0.00 68.15 67.11 2ctj h THR 34 CO 0.00 0.04 -0.84 1.17 -0.01 0.00 0.00 175.52 175.89 2ctj n LYS 35 N -5.13 3.12 -3.96 0.00 3.00 -1.26 -4.95 118.16 108.98 2ctj n LYS 35 Ca 0.07 -3.97 -0.31 0.00 -0.00 0.00 0.00 58.31 54.10 2ctj n LYS 35 Cb 0.28 -2.09 0.01 0.00 0.00 0.00 0.00 35.03 33.23 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 -0.71 -0.46 0.07 3.14 0.00 -1.09 -4.90 105.19 101.23 2ctj n GLY 36 Ca 0.36 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.51 2ctj n GLY 36 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ctj h ARG 37 N -1.96 0.00 -1.88 1.61 3.08 -1.76 -2.02 114.38 111.45 2ctj h ARG 37 Ca -0.59 0.00 0.54 0.00 0.07 0.00 0.00 59.98 60.01 2ctj h ARG 37 Cb 1.38 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.35 2ctj h ARG 37 CO 0.69 0.10 1.35 -0.07 -1.07 0.00 0.00 179.97 180.96 2ctj h LEU 38 N -1.00 0.00 0.04 3.04 3.38 -1.69 0.41 115.31 119.49 2ctj h LEU 38 Ca -0.03 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.58 2ctj h LEU 38 Cb 0.45 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2ctj h LEU 38 CO -0.02 0.00 -2.07 -0.38 0.09 0.00 0.00 178.44 176.07 2ctj n ILE 39 N -3.96 1.61 -0.27 1.22 2.08 -1.15 -3.91 119.36 114.97 2ctj n ILE 39 Ca 0.42 -0.46 0.03 0.00 0.56 0.00 0.00 62.75 63.30 2ctj n ILE 39 Cb 1.92 -1.74 0.16 0.00 -0.75 0.00 0.00 39.64 39.23 2ctj n ILE 39 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2ctj h ARG 40 N -0.36 0.68 0.51 0.38 2.47 0.42 -2.20 114.38 116.28 2ctj h ARG 40 Ca -0.50 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.15 2ctj h ARG 40 Cb 1.78 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.95 2ctj h ARG 40 CO -0.11 0.45 -0.24 0.77 0.56 0.00 0.00 179.97 181.40 2ctj h SER 41 N 0.70 -0.58 -0.99 7.04 0.02 -0.85 -2.92 113.55 115.97 2ctj h SER 41 Ca 0.38 0.02 0.24 0.00 -0.84 0.00 0.00 61.79 61.59 2ctj h SER 41 Cb 0.39 0.15 -0.19 0.00 0.14 0.00 0.00 62.40 62.89 2ctj h SER 41 CO -0.26 -0.40 -0.10 0.40 -1.14 0.00 0.00 176.83 175.33 2ctj h ILE 42 N -0.71 0.01 -0.59 3.27 2.04 -1.64 0.70 117.51 120.58 2ctj h ILE 42 Ca -0.07 -0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.91 2ctj h ILE 42 Cb 0.52 0.01 -0.09 0.00 -0.74 0.00 0.00 36.82 36.51 2ctj h ILE 42 CO 0.11 0.00 0.04 0.24 0.00 0.00 0.00 178.15 178.55 2ctj h MET 43 N 0.00 0.15 0.22 2.37 2.86 -1.32 -0.30 114.93 118.92 2ctj h MET 43 Ca 0.55 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 58.17 2ctj h MET 43 Cb 1.00 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.63 2ctj h MET 43 CO -0.98 0.10 -0.10 1.49 1.06 0.00 0.00 176.91 178.48 2ctj h GLU 44 N 0.16 -0.28 -0.87 1.72 4.57 0.39 0.43 114.58 120.70 2ctj h GLU 44 Ca 0.31 0.02 0.17 0.00 -1.18 0.00 0.00 59.36 58.68 2ctj h GLU 44 Cb 0.48 0.06 -0.16 0.00 -0.16 0.00 0.00 28.75 28.97 2ctj h GLU 44 CO -0.47 -0.19 -0.23 0.39 -1.18 0.00 0.00 179.01 177.33 2ctj n GLU 45 N -4.80 -0.09 0.24 1.92 -0.58 0.95 0.09 120.64 118.36 2ctj n GLU 45 Ca -0.04 1.36 -0.16 0.00 -0.42 0.00 0.00 57.16 57.91 2ctj n GLU 45 Cb 0.12 -2.02 -0.08 0.00 -0.57 0.00 0.00 31.44 28.88 2ctj n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ctj n GLY 47 N -1.24 0.38 0.00 0.00 0.00 0.11 -4.93 105.19 99.51 2ctj n GLY 47 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 3.85 -0.02 0.00 0.15 -4.83 105.19 104.33 2ctj n GLY 48 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 4.66 -0.09 1.61 -7.23 -1.03 -4.96 120.40 113.35 2ctj s VAL 49 Ca 0.00 1.00 -0.03 0.00 -1.81 0.00 0.00 61.98 61.13 2ctj s VAL 49 Cb 0.00 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 2ctj s VAL 49 CO 0.00 -0.16 0.04 -1.00 -0.31 0.00 0.00 175.10 173.67 2ctj s HIS 50 N -1.96 3.29 -0.05 2.82 0.09 -0.49 -4.62 115.29 114.38 2ctj s HIS 50 Ca 0.54 0.29 0.05 0.00 -0.00 0.00 0.00 55.06 55.94 2ctj s HIS 50 Cb -0.11 -1.83 -0.02 0.00 -0.00 0.00 0.00 32.58 30.62 2ctj s HIS 50 CO 0.17 0.55 -0.19 0.42 -0.00 0.00 0.00 174.74 175.70 2ctj s ILE 51 N -0.94 2.67 -0.21 0.60 1.01 -1.26 -0.47 121.20 122.60 2ctj s ILE 51 Ca 0.14 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 2ctj s ILE 51 Cb -0.12 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 2ctj s ILE 51 CO 0.03 0.58 -0.05 -1.00 0.00 0.00 0.00 174.94 174.50 2ctj s HIS 52 N -0.53 2.95 -0.13 3.97 3.76 0.17 -5.00 115.29 120.48 2ctj s HIS 52 Ca 0.07 -0.89 0.01 0.00 -0.15 0.00 0.00 55.06 54.10 2ctj s HIS 52 Cb -0.11 -2.07 -0.01 0.00 1.11 0.00 0.00 32.58 31.49 2ctj s HIS 52 CO 0.01 -0.50 -0.15 -0.06 -0.85 0.00 0.00 174.74 173.19 2ctj s PHE 53 N 1.32 2.76 0.63 1.40 0.08 -1.26 -2.32 117.98 120.59 2ctj s PHE 53 Ca 0.04 -0.81 -0.16 0.00 0.12 0.00 0.00 56.93 56.12 2ctj s PHE 53 Cb -0.14 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.46 2ctj s PHE 53 CO -0.02 -0.31 1.12 -1.25 -0.10 0.00 0.00 175.22 174.65 2ctj s PRO 54 N 0.47 2.93 0.23 0.24 0.04 -1.26 -4.99 135.00 132.66 2ctj s PRO 54 Ca -0.11 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.08 2ctj s PRO 54 Cb -0.16 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 2ctj s PRO 54 CO 0.05 -1.16 1.22 0.08 0.04 0.00 0.00 177.00 177.23 2ctj s VAL 55 N -2.20 3.33 0.13 -0.36 1.01 -1.26 -4.91 120.40 116.14 2ctj s VAL 55 Ca 0.68 1.19 -0.27 0.00 0.00 0.00 0.00 61.98 63.58 2ctj s VAL 55 Cb -0.21 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2ctj s VAL 55 CO 0.38 0.22 1.60 1.05 0.00 0.00 0.00 175.10 178.36 2ctj h GLU 56 N 4.66 -0.44 -0.91 2.72 4.11 -1.93 -2.10 114.58 120.68 2ctj h GLU 56 Ca -0.46 0.03 0.18 0.00 0.07 0.00 0.00 59.36 59.19 2ctj h GLU 56 Cb 1.22 0.10 -0.17 0.00 0.50 0.00 0.00 28.75 30.39 2ctj h GLU 56 CO 0.72 -0.29 -0.22 0.78 0.07 0.00 0.00 179.01 180.07 2ctj h GLY 57 N -0.45 0.66 0.18 1.06 0.00 -2.01 -0.48 103.07 102.03 2ctj h GLY 57 Ca 0.08 0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.73 2ctj h GLY 57 CO -0.35 -0.35 -0.45 1.76 0.00 0.00 0.00 176.54 177.16 2ctj h SER 58 N 0.00 -1.35 0.00 0.19 0.02 -1.78 -3.47 113.55 107.17 2ctj h SER 58 Ca 0.44 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 2ctj h SER 58 Cb 0.67 0.51 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2ctj h SER 58 CO -0.93 -0.49 0.00 0.61 -1.14 0.00 0.00 176.83 174.87 2ctj n GLY 59 N -1.47 1.55 3.57 -3.77 0.00 -0.19 -5.09 105.19 99.79 2ctj n GLY 59 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 5.78 -0.64 1.61 0.15 -1.26 -4.98 113.70 112.36 2ctj s SER 60 Ca 0.00 -0.03 -0.02 0.00 0.70 0.00 0.00 55.95 56.60 2ctj s SER 60 Cb 0.00 -2.05 0.44 0.00 -1.71 0.00 0.00 66.02 62.70 2ctj s SER 60 CO 0.00 -0.01 2.03 -0.90 1.20 0.00 0.00 173.24 175.57 2ctj n ASP 61 N 4.77 7.52 -4.12 5.45 5.68 -1.26 -4.57 116.55 130.02 2ctj n ASP 61 Ca -0.15 -3.75 -0.33 0.00 -0.50 0.00 0.00 54.79 50.07 2ctj n ASP 61 Cb 0.52 -0.98 -0.16 0.00 -1.14 0.00 0.00 41.12 39.36 2ctj n ASP 61 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2ctj s THR 62 N -4.65 2.06 -0.22 2.12 2.01 -1.25 -0.78 115.64 114.94 2ctj s THR 62 Ca 0.63 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 61.62 2ctj s THR 62 Cb 0.49 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 2ctj s THR 62 CO -0.01 0.54 0.05 -0.69 -0.69 0.00 0.00 174.62 173.82 2ctj s VAL 63 N 1.24 4.33 -0.21 3.82 1.01 -0.77 -4.39 120.40 125.44 2ctj s VAL 63 Ca 0.04 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 2ctj s VAL 63 Cb -0.13 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2ctj s VAL 63 CO -0.12 0.39 0.05 -0.69 0.00 0.00 0.00 175.10 174.73 2ctj s VAL 64 N 1.15 4.46 -0.02 2.92 1.01 -0.98 -1.33 120.40 127.60 2ctj s VAL 64 Ca 0.04 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 61.92 2ctj s VAL 64 Cb -0.14 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 2ctj s VAL 64 CO 0.03 0.41 -0.14 -0.63 0.00 0.00 0.00 175.10 174.76 2ctj s ILE 65 N 0.94 3.05 0.07 2.22 1.01 -0.51 0.46 121.20 128.43 2ctj s ILE 65 Ca 0.03 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 59.93 2ctj s ILE 65 Cb -0.14 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 2ctj s ILE 65 CO 0.03 0.52 -0.22 -0.13 0.00 0.00 0.00 174.94 175.13 2ctj s ARG 66 N -0.95 1.38 0.00 2.79 0.52 0.38 -2.07 118.95 121.01 2ctj s ARG 66 Ca 0.13 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.26 2ctj s ARG 66 Cb -0.11 -1.59 0.00 0.00 0.52 0.00 0.00 34.95 33.77 2ctj s ARG 66 CO 0.02 0.39 0.00 0.41 0.02 0.00 0.00 175.30 176.15 2ctj n GLY 67 N 1.52 0.99 3.65 -3.53 0.00 -1.25 -1.39 105.19 105.18 2ctj n GLY 67 Ca -0.18 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.68 4.12 0.26 1.61 0.04 -1.26 -0.17 135.00 137.92 2ctj s PRO 68 Ca 0.00 1.94 -0.08 0.00 0.04 0.00 0.00 61.00 62.89 2ctj s PRO 68 Cb 0.00 -3.94 0.43 0.00 0.04 0.00 0.00 34.50 31.04 2ctj s PRO 68 CO 0.00 -0.90 1.59 0.66 0.04 0.00 0.00 177.00 178.39 2ctj h SER 69 N 9.42 -0.70 -1.22 6.66 4.64 -1.88 0.65 113.55 131.12 2ctj h SER 69 Ca -0.35 0.25 0.42 0.00 -0.47 0.00 0.00 61.79 61.65 2ctj h SER 69 Cb 1.15 0.50 -0.14 0.00 -0.31 0.00 0.00 62.40 63.60 2ctj h SER 69 CO 0.97 -0.28 0.75 0.28 -0.87 0.00 0.00 176.83 177.68 2ctj h SER 70 N 0.01 0.29 0.09 4.97 0.02 -1.99 0.27 113.55 117.21 2ctj h SER 70 Ca 0.44 0.17 -0.37 0.00 -0.84 0.00 0.00 61.79 61.19 2ctj h SER 70 Cb 0.72 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.38 2ctj h SER 70 CO -0.86 -0.24 -2.19 0.47 -1.14 0.00 0.00 176.83 172.86 2ctj n ASP 71 N -4.87 1.93 -0.26 3.07 8.00 0.19 -4.27 116.55 120.35 2ctj n ASP 71 Ca 0.37 0.07 0.13 0.00 0.71 0.00 0.00 54.79 56.07 2ctj n ASP 71 Cb 1.36 -0.58 0.40 0.00 -0.02 0.00 0.00 41.12 42.28 2ctj n ASP 71 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2ctj h VAL 72 N 0.04 0.81 -0.85 2.53 2.07 0.21 -0.17 116.25 120.89 2ctj h VAL 72 Ca -0.49 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 66.88 2ctj h VAL 72 Cb 1.99 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.81 2ctj h VAL 72 CO 0.01 0.12 0.53 1.05 0.02 0.00 0.00 177.57 179.30 2ctj h GLU 73 N 0.64 0.93 0.03 1.57 4.11 -0.79 0.88 114.58 121.95 2ctj h GLU 73 Ca 0.45 -0.06 -0.24 0.00 0.07 0.00 0.00 59.36 59.58 2ctj h GLU 73 Cb 0.78 -0.21 0.02 0.00 0.50 0.00 0.00 28.75 29.84 2ctj h GLU 73 CO -0.20 0.62 -0.95 0.87 0.07 0.00 0.00 179.01 179.41 2ctj h LYS 74 N 0.96 0.58 -0.57 1.06 1.57 -1.30 -2.89 116.57 115.98 2ctj h LYS 74 Ca 0.37 -0.67 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2ctj h LYS 74 Cb 0.17 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 2ctj h LYS 74 CO -0.17 1.27 0.36 0.00 -0.57 0.00 0.00 179.45 180.35 2ctj h ALA 75 N 0.33 1.57 0.28 3.86 0.00 -0.72 -0.97 119.26 123.61 2ctj h ALA 75 Ca -0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2ctj h ALA 75 Cb 1.63 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2ctj h ALA 75 CO 0.19 0.39 -0.13 -0.22 0.00 0.00 0.00 179.25 179.47 2ctj h LYS 76 N 0.78 -0.36 -0.35 0.00 3.64 -0.87 -2.12 116.57 117.29 2ctj h LYS 76 Ca 0.21 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.71 2ctj h LYS 76 Cb -0.07 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2ctj h LYS 76 CO -0.04 -0.01 0.26 1.57 -2.27 0.00 0.00 179.45 178.96 2ctj h LYS 77 N -0.86 0.00 -0.11 1.90 2.10 -1.36 -0.38 116.57 117.86 2ctj h LYS 77 Ca -0.04 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.39 2ctj h LYS 77 Cb 0.51 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.85 2ctj h LYS 77 CO 0.06 0.00 -0.81 1.96 -2.00 0.00 0.00 179.45 178.67 2ctj h GLN 78 N 0.00 0.68 -0.38 0.07 4.20 -1.12 -2.83 115.11 115.73 2ctj h GLN 78 Ca 0.17 -0.58 -0.15 0.00 0.06 0.00 0.00 58.65 58.14 2ctj h GLN 78 Cb 0.69 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2ctj h GLN 78 CO -0.00 1.19 -0.35 1.25 -0.67 0.00 0.00 178.83 180.25 2ctj h LEU 79 N 0.45 0.94 0.43 1.46 5.85 -0.41 -2.72 115.31 121.32 2ctj h LEU 79 Ca -0.06 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 2ctj h LEU 79 Cb 1.43 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2ctj h LEU 79 CO 0.16 1.19 -0.21 -0.07 -0.34 0.00 0.00 178.44 179.17 2ctj h LEU 80 N 0.74 -0.49 -0.07 2.25 4.07 -1.24 -0.87 115.31 119.69 2ctj h LEU 80 Ca 0.07 -0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.05 2ctj h LEU 80 Cb 0.93 0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.74 2ctj h LEU 80 CO 0.09 -0.31 -0.31 -0.74 -1.08 0.00 0.00 178.44 176.09 2ctj h HIS 81 N -0.64 -0.86 0.27 1.13 2.76 -1.54 -2.72 115.15 113.55 2ctj h HIS 81 Ca -0.06 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2ctj h HIS 81 Cb 0.48 0.39 -0.02 0.00 1.55 0.00 0.00 27.41 29.80 2ctj h HIS 81 CO -0.03 -0.40 -0.39 -0.07 -1.30 0.00 0.00 177.93 175.74 2ctj h LEU 82 N -0.42 -1.12 -0.70 0.26 3.38 -1.45 0.91 115.31 116.18 2ctj h LEU 82 Ca 0.08 0.10 0.22 0.00 0.09 0.00 0.00 57.88 58.37 2ctj h LEU 82 Cb 0.54 0.39 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 2ctj h LEU 82 CO -0.31 -0.48 0.12 0.00 0.09 0.00 0.00 178.44 177.87 2ctj n ALA 83 N -2.73 0.47 -0.03 1.53 0.00 -0.34 0.10 120.51 119.51 2ctj n ALA 83 Ca -0.08 0.74 -0.15 0.00 0.00 0.00 0.00 53.44 53.95 2ctj n ALA 83 Cb 0.34 -0.60 -0.12 0.00 0.00 0.00 0.00 19.45 19.07 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 0.10 -0.34 0.00 5.08 -1.08 -2.34 114.58 116.00 2ctj h GLU 84 Ca 0.47 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.76 2ctj h GLU 84 Cb 1.08 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.30 2ctj h GLU 84 CO -0.62 0.87 -0.46 0.93 -1.00 0.00 0.00 179.01 178.73 2ctj h GLU 85 N -0.62 -0.31 0.00 2.33 4.39 0.32 0.13 114.58 120.81 2ctj h GLU 85 Ca -0.02 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2ctj h GLU 85 Cb 0.93 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 2ctj h GLU 85 CO 0.03 -0.21 -0.18 0.87 -1.16 0.00 0.00 179.01 178.36 2ctj h LYS 86 N -0.32 0.00 -6.10 2.33 6.56 -1.32 -3.38 116.57 114.35 2ctj h LYS 86 Ca 0.06 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.10 2ctj h LYS 86 Cb 0.49 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.06 2ctj h LYS 86 CO -0.49 0.18 1.33 -1.14 -2.06 0.00 0.00 179.45 177.27 2ctj s GLN 87 N -4.37 3.37 -0.38 3.15 -0.44 0.45 -4.95 119.66 116.50 2ctj s GLN 87 Ca -0.03 -0.83 -0.07 0.00 -2.50 0.00 0.00 55.36 51.93 2ctj s GLN 87 Cb 0.14 -5.11 0.06 0.00 -1.64 0.00 0.00 33.01 26.47 2ctj s GLN 87 CO 0.65 -2.36 0.17 0.99 0.50 0.00 0.00 175.29 175.24 2ctj s THR 88 N 5.84 3.85 0.58 -0.34 2.01 -1.26 -4.82 115.64 121.51 2ctj s THR 88 Ca 0.48 -1.36 -0.09 0.00 0.31 0.00 0.00 61.69 61.03 2ctj s THR 88 Cb -0.02 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 2ctj s THR 88 CO -0.04 -0.36 0.96 -0.75 -0.69 0.00 0.00 174.62 173.73 2ctj s LYS 89 N 1.37 3.49 0.16 4.92 2.20 -1.26 -4.97 119.74 125.65 2ctj s LYS 89 Ca 0.01 0.53 -0.33 0.00 -0.36 0.00 0.00 55.97 55.82 2ctj s LYS 89 Cb -0.21 -2.17 -0.16 0.00 -1.51 0.00 0.00 37.83 33.77 2ctj s LYS 89 CO 0.01 -0.50 1.14 0.45 -0.36 0.00 0.00 175.35 176.09 2ctj n SER 90 N -2.62 1.16 0.00 1.43 2.88 -1.26 -4.90 113.62 110.31 2ctj n SER 90 Ca 0.04 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 2ctj n SER 90 Cb 0.55 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 2ctj n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctj n GLY 91 N 2.01 0.14 0.26 0.46 0.00 -1.26 -4.95 105.19 101.86 2ctj n GLY 91 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2ctj n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctj h PRO 92 N 0.00 0.93 -5.94 1.61 0.13 -2.04 -3.40 132.00 123.30 2ctj h PRO 92 Ca 0.00 -0.49 -0.44 0.00 -0.87 0.00 0.00 66.00 64.20 2ctj h PRO 92 Cb 0.00 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.08 2ctj h PRO 92 CO 0.00 1.14 1.08 -1.12 -0.23 0.00 0.00 178.00 178.88 2ctj s SER 93 N -6.82 5.63 0.31 1.44 0.01 -1.26 -4.96 113.70 108.06 2ctj s SER 93 Ca -0.11 -0.68 0.07 0.00 1.31 0.00 0.00 55.95 56.54 2ctj s SER 93 Cb 0.11 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 2ctj s SER 93 CO 0.88 -2.25 0.40 -0.94 0.41 0.00 0.00 173.24 171.73 2ctj s SER 94 N 6.78 5.86 0.00 2.44 1.04 -1.26 -4.97 113.70 123.59 2ctj s SER 94 Ca 0.59 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2ctj s SER 94 Cb -0.06 -1.30 0.00 0.00 0.10 0.00 0.00 66.02 64.76 2ctj s SER 94 CO 0.02 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.53