#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 1.52 0.27 1.61 0.15 -1.26 -5.17 113.70 110.83 2ctj s SER 2 Ca 0.00 -0.92 -0.07 0.00 0.70 0.00 0.00 55.95 55.66 2ctj s SER 2 Cb 0.00 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.32 2ctj s SER 2 CO 0.00 -0.32 0.41 -0.44 1.20 0.00 0.00 173.24 174.09 2ctj s SER 3 N -2.82 0.31 0.00 5.45 0.01 -1.26 -5.17 113.70 110.23 2ctj s SER 3 Ca 0.11 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.15 2ctj s SER 3 Cb 0.01 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2ctj s SER 3 CO -0.01 -1.14 0.00 0.61 0.41 0.00 0.00 173.24 173.11 2ctj n GLY 4 N -0.43 4.71 3.10 3.44 0.00 -1.26 -5.17 105.19 109.59 2ctj n GLY 4 Ca -0.00 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 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 0.75 0.13 1.61 0.15 -1.26 -5.07 113.70 110.02 2ctj s SER 5 Ca 0.00 -0.84 -0.30 0.00 0.70 0.00 0.00 55.95 55.50 2ctj s SER 5 Cb 0.00 0.12 -0.07 0.00 -1.71 0.00 0.00 66.02 64.36 2ctj s SER 5 CO 0.00 -0.43 1.57 -1.28 1.20 0.00 0.00 173.24 174.30 2ctj h SER 6 N 3.57 -1.51 0.00 5.45 0.87 -2.08 -3.45 113.55 116.40 2ctj h SER 6 Ca -0.34 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2ctj h SER 6 Cb 1.17 0.61 0.00 0.00 -0.44 0.00 0.00 62.40 63.74 2ctj h SER 6 CO 0.57 -0.44 0.00 0.61 -0.53 0.00 0.00 176.83 177.04 2ctj n GLY 7 N -1.43 0.00 3.76 5.77 0.00 -1.26 -5.15 105.19 106.88 2ctj n GLY 7 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 6.78 -0.12 1.61 0.15 -1.26 -5.01 113.70 115.86 2ctj s SER 8 Ca 0.00 0.93 -0.30 0.00 0.70 0.00 0.00 55.95 57.28 2ctj s SER 8 Cb 0.00 -2.30 -0.08 0.00 -1.71 0.00 0.00 66.02 61.94 2ctj s SER 8 CO 0.00 0.10 2.10 -0.38 1.20 0.00 0.00 173.24 176.26 2ctj n ILE 9 N 3.04 0.52 -3.46 6.45 5.41 -1.26 -4.93 119.36 125.13 2ctj n ILE 9 Ca -0.09 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.37 2ctj n ILE 9 Cb 0.52 -2.36 -0.03 0.00 -0.71 0.00 0.00 39.64 37.06 2ctj n ILE 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2ctj s GLN 10 N 5.43 0.55 -0.13 0.38 0.74 -1.26 -5.07 119.66 120.31 2ctj s GLN 10 Ca 0.96 1.25 -0.33 0.00 0.05 0.00 0.00 55.36 57.29 2ctj s GLN 10 Cb -0.44 0.69 -0.10 0.00 1.10 0.00 0.00 33.01 34.27 2ctj s GLN 10 CO 0.40 -0.37 2.01 1.63 -0.55 0.00 0.00 175.29 178.41 2ctj n LYS 11 N 5.44 2.09 -1.17 1.67 4.76 -1.26 -4.85 118.16 124.83 2ctj n LYS 11 Ca -0.08 0.71 -0.17 0.00 -2.87 0.00 0.00 58.31 55.91 2ctj n LYS 11 Cb 0.50 -2.79 0.15 0.00 -1.84 0.00 0.00 35.03 31.05 2ctj n LYS 11 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2ctj n ASP 12 N 8.23 4.01 -0.91 4.39 -0.08 -1.26 -4.45 116.55 126.49 2ctj n ASP 12 Ca 0.26 -3.75 0.10 0.00 -1.51 0.00 0.00 54.79 49.90 2ctj n ASP 12 Cb 0.33 -0.70 0.13 0.00 2.34 0.00 0.00 41.12 43.22 2ctj n ASP 12 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2ctj n LEU 13 N -1.04 2.95 -3.49 -2.67 7.94 -1.26 -4.98 117.00 114.45 2ctj n LEU 13 Ca 0.46 -1.24 -0.11 0.00 -1.11 0.00 0.00 56.01 54.01 2ctj n LEU 13 Cb 1.11 -0.10 -0.03 0.00 0.53 0.00 0.00 43.42 44.93 2ctj n LEU 13 CO 0.42 0.57 0.33 0.00 -1.11 0.00 0.00 177.39 177.60 2ctj s ALA 14 N -1.55 -1.39 0.11 1.96 0.00 -1.26 -5.06 121.76 114.58 2ctj s ALA 14 Ca 0.28 0.32 -0.20 0.00 0.00 0.00 0.00 51.96 52.36 2ctj s ALA 14 Cb 0.18 0.83 -0.08 0.00 0.00 0.00 0.00 23.12 24.05 2ctj s ALA 14 CO 0.27 -0.73 1.76 -0.97 0.00 0.00 0.00 175.76 176.08 2ctj h ASN 15 N 2.11 0.20 -0.92 0.00 -1.24 -1.93 -3.44 115.58 110.35 2ctj h ASN 15 Ca -0.34 -0.02 -0.49 0.00 0.71 0.00 0.00 56.30 56.16 2ctj h ASN 15 Cb 1.29 -0.05 0.09 0.00 0.73 0.00 0.00 38.32 40.39 2ctj h ASN 15 CO 0.41 0.16 -0.50 -0.38 -1.29 0.00 0.00 177.43 175.82 2ctj n ILE 16 N -4.96 1.16 -3.94 2.57 2.08 -1.26 -4.88 119.36 110.11 2ctj n ILE 16 Ca -0.04 -0.37 -0.34 0.00 0.56 0.00 0.00 62.75 62.56 2ctj n ILE 16 Cb 0.03 0.00 -0.14 0.00 -0.75 0.00 0.00 39.64 38.78 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 -0.92 2.78 -0.33 -1.39 0.00 0.15 -4.93 121.76 117.12 2ctj s ALA 17 Ca 0.47 -1.87 -0.21 0.00 0.00 0.00 0.00 51.96 50.35 2ctj s ALA 17 Cb -0.62 -1.89 -0.00 0.00 0.00 0.00 0.00 23.12 20.61 2ctj s ALA 17 CO 0.44 -1.32 0.66 -2.00 0.00 0.00 0.00 175.76 173.54 2ctj s GLU 18 N 1.19 3.80 -0.04 0.00 -6.30 -1.26 -3.73 118.70 112.35 2ctj s GLU 18 Ca -0.04 0.22 0.05 0.00 -2.50 0.00 0.00 54.97 52.70 2ctj s GLU 18 Cb -0.20 -3.77 -0.01 0.00 0.00 0.00 0.00 34.13 30.15 2ctj s GLU 18 CO -0.03 -0.68 -0.21 0.08 0.02 0.00 0.00 175.26 174.45 2ctj s VAL 19 N 2.73 1.69 0.27 3.70 1.01 -0.73 -4.91 120.40 124.16 2ctj s VAL 19 Ca 0.26 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.46 2ctj s VAL 19 Cb -0.14 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2ctj s VAL 19 CO 0.14 0.48 0.03 -1.61 0.00 0.00 0.00 175.10 174.14 2ctj s GLU 20 N -0.13 2.39 0.04 2.72 8.01 -1.26 -1.35 118.70 129.13 2ctj s GLU 20 Ca -0.02 -1.37 -0.06 0.00 0.01 0.00 0.00 54.97 53.54 2ctj s GLU 20 Cb -0.12 -2.22 -0.01 0.00 -4.31 0.00 0.00 34.13 27.47 2ctj s GLU 20 CO 0.02 0.36 0.10 0.54 0.01 0.00 0.00 175.26 176.29 2ctj s VAL 21 N -2.30 0.14 -0.40 2.63 0.11 -1.06 -4.96 120.40 114.55 2ctj s VAL 21 Ca 0.32 -1.15 -0.20 0.00 -2.93 0.00 0.00 61.98 58.03 2ctj s VAL 21 Cb -0.06 -0.98 0.01 0.00 -1.53 0.00 0.00 36.38 33.82 2ctj s VAL 21 CO 0.21 -0.63 0.58 -0.55 -3.33 0.00 0.00 175.10 171.38 2ctj s SER 22 N -2.24 6.32 -0.12 3.54 0.15 -1.26 -2.18 113.70 117.91 2ctj s SER 22 Ca -0.03 -0.25 -0.10 0.00 0.70 0.00 0.00 55.95 56.27 2ctj s SER 22 Cb 0.00 -2.29 0.03 0.00 -1.71 0.00 0.00 66.02 62.05 2ctj s SER 22 CO -0.05 -0.66 0.30 -0.63 1.20 0.00 0.00 173.24 173.40 2ctj s ILE 23 N 2.61 -0.01 0.37 6.45 1.01 -0.27 -5.04 121.20 126.33 2ctj s ILE 23 Ca 0.20 0.02 -0.26 0.00 0.00 0.00 0.00 60.65 60.61 2ctj s ILE 23 Cb -0.15 -0.43 -0.09 0.00 0.01 0.00 0.00 42.46 41.80 2ctj s ILE 23 CO 0.16 0.01 1.20 -2.16 0.00 0.00 0.00 174.94 174.15 2ctj s PRO 24 N 0.34 4.16 0.56 2.79 0.04 -1.26 -4.06 135.00 137.57 2ctj s PRO 24 Ca -0.01 1.94 0.37 0.00 0.04 0.00 0.00 61.00 63.33 2ctj s PRO 24 Cb -0.03 -2.81 1.92 0.00 0.04 0.00 0.00 34.50 33.61 2ctj s PRO 24 CO -0.01 -0.26 2.13 0.00 0.04 0.00 0.00 177.00 178.90 2ctj h ALA 25 N 2.90 1.00 -0.89 8.56 0.00 -1.88 -2.34 119.26 126.60 2ctj h ALA 25 Ca -0.49 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.46 2ctj h ALA 25 Cb 1.23 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 2ctj h ALA 25 CO 0.63 0.00 0.59 1.57 0.00 0.00 0.00 179.25 182.04 2ctj h LYS 26 N 0.00 1.07 0.20 0.00 2.10 -2.01 -2.74 116.57 115.18 2ctj h LYS 26 Ca 0.00 -0.06 -0.34 0.00 -2.00 0.00 0.00 60.65 58.25 2ctj h LYS 26 Cb 0.12 -0.24 0.02 0.00 -0.90 0.00 0.00 32.23 31.23 2ctj h LYS 26 CO 0.00 0.71 -1.61 -0.07 -2.00 0.00 0.00 179.45 176.47 2ctj h LEU 27 N 1.10 0.65 -0.71 7.07 3.38 -1.80 -3.37 115.31 121.63 2ctj h LEU 27 Ca 0.36 -0.85 0.10 0.00 0.09 0.00 0.00 57.88 57.59 2ctj h LEU 27 Cb 0.05 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 40.48 2ctj h LEU 27 CO -0.11 1.69 -0.31 1.41 0.09 0.00 0.00 178.44 181.21 2ctj n HIS 28 N -3.61 -0.05 -0.10 1.13 8.25 -1.04 0.14 115.22 119.95 2ctj n HIS 28 Ca -0.20 0.88 -0.06 0.00 -0.26 0.00 0.00 57.72 58.08 2ctj n HIS 28 Cb 1.08 -0.73 0.01 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.03 0.69 0.41 4.21 -1.71 0.74 115.58 119.90 2ctj h ASN 29 Ca 0.22 0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.76 2ctj h ASN 29 Cb 0.40 0.09 0.01 0.00 -1.12 0.00 0.00 38.32 37.70 2ctj h ASN 29 CO -0.70 0.02 -0.33 0.28 -1.29 0.00 0.00 177.43 175.41 2ctj h SER 30 N 0.16 -0.79 -0.56 5.81 0.02 0.99 -1.69 113.55 117.50 2ctj h SER 30 Ca 0.16 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.24 2ctj h SER 30 Cb 0.19 0.20 -0.11 0.00 0.14 0.00 0.00 62.40 62.83 2ctj h SER 30 CO -0.23 -0.49 -0.33 -0.07 -1.14 0.00 0.00 176.83 174.57 2ctj h LEU 31 N -1.08 -1.12 0.18 5.07 3.38 -0.08 -2.28 115.31 119.38 2ctj h LEU 31 Ca -0.10 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2ctj h LEU 31 Cb 0.71 0.56 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 2ctj h LEU 31 CO 0.16 -0.30 -0.43 0.40 0.09 0.00 0.00 178.44 178.36 2ctj h ILE 32 N -0.17 0.00 0.00 1.22 2.04 -0.87 -3.31 117.51 116.41 2ctj h ILE 32 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 2ctj h ILE 32 Cb 0.54 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2ctj h ILE 32 CO -0.65 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.11 2ctj n GLY 33 N -1.41 0.23 0.24 5.37 0.00 -0.64 -1.91 105.19 107.08 2ctj n GLY 33 Ca -0.08 -2.30 -0.13 0.00 0.00 0.00 0.00 46.02 43.51 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 1.29 0.00 2.61 1.03 -1.88 -3.35 112.91 112.61 2ctj h THR 34 Ca 0.00 -1.53 -0.04 0.00 -0.01 0.00 0.00 66.41 64.82 2ctj h THR 34 Cb 0.00 1.51 -0.09 0.00 -1.07 0.00 0.00 68.15 68.49 2ctj h THR 34 CO 0.00 0.50 -0.52 2.29 -0.01 0.00 0.00 175.52 177.78 2ctj n LYS 35 N -4.15 0.47 -2.44 0.00 -0.00 -1.26 -4.98 118.16 105.79 2ctj n LYS 35 Ca -0.03 -1.86 -0.01 0.00 -0.00 0.00 0.00 58.31 56.41 2ctj n LYS 35 Cb 0.52 -0.73 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 -0.32 0.80 0.08 2.58 0.00 -1.25 -5.01 105.19 102.07 2ctj n GLY 36 Ca 0.07 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.10 0.00 -1.37 1.61 2.43 -1.79 -2.35 114.38 112.81 2ctj h ARG 37 Ca -0.02 0.00 0.40 0.00 -0.81 0.00 0.00 59.98 59.55 2ctj h ARG 37 Cb 1.01 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.49 2ctj h ARG 37 CO 0.02 0.32 0.97 -0.07 -1.51 0.00 0.00 179.97 179.70 2ctj h LEU 38 N -1.00 0.08 0.06 3.80 3.38 -1.57 0.56 115.31 120.62 2ctj h LEU 38 Ca -0.11 0.03 -0.32 0.00 0.09 0.00 0.00 57.88 57.57 2ctj h LEU 38 Cb 0.75 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2ctj h LEU 38 CO -0.07 -0.01 -1.75 -0.38 0.09 0.00 0.00 178.44 176.33 2ctj n ILE 39 N -4.23 1.65 -0.34 1.22 2.08 -1.12 -3.90 119.36 114.72 2ctj n ILE 39 Ca 0.31 -0.37 0.13 0.00 0.56 0.00 0.00 62.75 63.39 2ctj n ILE 39 Cb 1.41 -1.86 0.32 0.00 -0.75 0.00 0.00 39.64 38.75 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 -0.46 0.66 0.84 0.38 2.47 -0.41 -1.71 114.38 116.15 2ctj h ARG 40 Ca -0.42 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.22 2ctj h ARG 40 Cb 1.69 -0.15 0.01 0.00 -1.65 0.00 0.00 29.97 29.87 2ctj h ARG 40 CO -0.08 0.44 -0.40 1.03 0.56 0.00 0.00 179.97 181.51 2ctj h SER 41 N 0.68 -0.95 -0.94 7.04 0.87 -1.19 -2.68 113.55 116.38 2ctj h SER 41 Ca 0.57 0.03 0.27 0.00 -1.23 0.00 0.00 61.79 61.44 2ctj h SER 41 Cb 0.93 0.25 -0.14 0.00 -0.44 0.00 0.00 62.40 62.99 2ctj h SER 41 CO -0.41 -0.63 0.42 0.40 -0.53 0.00 0.00 176.83 176.09 2ctj h ILE 42 N -1.24 0.34 -0.02 2.23 2.04 -1.54 0.21 117.51 119.54 2ctj h ILE 42 Ca -0.11 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.66 2ctj h ILE 42 Cb 0.86 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2ctj h ILE 42 CO 0.19 0.06 -0.12 0.24 0.00 0.00 0.00 178.15 178.52 2ctj h MET 43 N 0.31 -0.18 0.58 2.37 2.86 -1.19 0.10 114.93 119.76 2ctj h MET 43 Ca 0.64 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 58.26 2ctj h MET 43 Cb 1.35 0.04 0.01 0.00 0.06 0.00 0.00 31.60 33.06 2ctj h MET 43 CO -0.61 -0.12 -0.28 1.49 1.06 0.00 0.00 176.91 178.45 2ctj h GLU 44 N -0.19 -0.75 -0.86 1.72 4.81 -0.50 0.21 114.58 119.03 2ctj h GLU 44 Ca 0.05 0.05 0.22 0.00 -0.13 0.00 0.00 59.36 59.55 2ctj h GLU 44 Cb 0.26 0.17 -0.15 0.00 0.63 0.00 0.00 28.75 29.66 2ctj h GLU 44 CO -0.13 -0.50 0.12 0.93 -0.73 0.00 0.00 179.01 178.70 2ctj h GLU 45 N -1.12 0.12 0.71 1.92 4.39 -0.73 -0.90 114.58 118.98 2ctj h GLU 45 Ca -0.08 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 2ctj h GLU 45 Cb 0.59 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2ctj h GLU 45 CO 0.13 0.08 -0.34 0.00 -1.16 0.00 0.00 179.01 177.72 2ctj n GLY 47 N -1.44 0.44 0.00 0.00 0.00 -0.34 -4.89 105.19 98.96 2ctj n GLY 47 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.68 -4.86 105.19 104.88 2ctj n GLY 48 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 3.58 -0.11 1.61 -7.23 -1.21 -4.94 120.40 112.11 2ctj s VAL 49 Ca 0.00 0.33 0.03 0.00 -1.81 0.00 0.00 61.98 60.54 2ctj s VAL 49 Cb 0.00 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.46 2ctj s VAL 49 CO 0.00 -0.59 -0.23 -1.00 -0.31 0.00 0.00 175.10 172.97 2ctj s HIS 50 N -3.23 2.60 -0.12 2.82 0.09 0.15 -4.75 115.29 112.85 2ctj s HIS 50 Ca 0.57 -1.10 0.00 0.00 -0.00 0.00 0.00 55.06 54.53 2ctj s HIS 50 Cb -0.11 -1.74 -0.02 0.00 -0.00 0.00 0.00 32.58 30.71 2ctj s HIS 50 CO 0.50 -0.45 -0.13 0.42 -0.00 0.00 0.00 174.74 175.08 2ctj s ILE 51 N 0.45 3.11 -0.14 0.60 1.01 -1.26 -0.18 121.20 124.79 2ctj s ILE 51 Ca -0.16 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 2ctj s ILE 51 Cb -0.17 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 2ctj s ILE 51 CO 0.06 0.53 -0.06 -1.00 0.00 0.00 0.00 174.94 174.48 2ctj s HIS 52 N 0.21 2.98 -0.16 3.97 3.76 -0.47 -5.02 115.29 120.57 2ctj s HIS 52 Ca -0.08 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 2ctj s HIS 52 Cb -0.15 -1.91 0.02 0.00 1.11 0.00 0.00 32.58 31.64 2ctj s HIS 52 CO 0.05 -0.03 -0.19 -0.06 -0.85 0.00 0.00 174.74 173.67 2ctj s PHE 53 N 0.24 2.52 0.72 1.40 0.08 -1.26 -3.07 117.98 118.61 2ctj s PHE 53 Ca -0.04 -1.40 -0.13 0.00 0.12 0.00 0.00 56.93 55.48 2ctj s PHE 53 Cb -0.14 -1.77 0.03 0.00 -0.57 0.00 0.00 43.02 40.57 2ctj s PHE 53 CO 0.03 -0.70 1.10 -1.25 -0.10 0.00 0.00 175.22 174.31 2ctj s PRO 54 N 1.20 2.53 0.11 0.24 0.04 -1.26 -5.04 135.00 132.81 2ctj s PRO 54 Ca 0.01 1.27 -0.05 0.00 0.04 0.00 0.00 61.00 62.27 2ctj s PRO 54 Cb -0.14 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2ctj s PRO 54 CO -0.09 -1.45 0.35 0.54 0.04 0.00 0.00 177.00 176.39 2ctj s VAL 55 N -2.63 5.20 0.13 -0.36 0.11 -1.26 -4.98 120.40 116.61 2ctj s VAL 55 Ca 0.64 0.07 -0.23 0.00 -2.93 0.00 0.00 61.98 59.52 2ctj s VAL 55 Cb -0.19 -3.62 -0.03 0.00 -1.53 0.00 0.00 36.38 31.02 2ctj s VAL 55 CO 0.49 0.13 1.20 1.21 -3.33 0.00 0.00 175.10 174.80 2ctj n GLU 56 N 0.36 -0.33 -0.32 1.54 0.00 -1.26 0.14 120.64 120.78 2ctj n GLU 56 Ca -0.05 1.18 0.17 0.00 0.00 0.00 0.00 57.16 58.47 2ctj n GLU 56 Cb 0.52 -1.73 0.37 0.00 0.00 0.00 0.00 31.44 30.59 2ctj n GLU 56 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2ctj h GLY 57 N 0.00 1.68 0.09 8.31 0.00 -2.01 0.24 103.07 111.38 2ctj h GLY 57 Ca 0.14 -0.14 0.17 0.00 0.00 0.00 0.00 47.33 47.50 2ctj h GLY 57 CO -0.74 -0.40 0.42 0.23 0.00 0.00 0.00 176.54 176.06 2ctj h SER 58 N 0.29 0.46 -1.33 0.19 0.87 0.83 -3.46 113.55 111.41 2ctj h SER 58 Ca 0.63 0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 61.22 2ctj h SER 58 Cb 1.32 0.05 0.01 0.00 -0.44 0.00 0.00 62.40 63.35 2ctj h SER 58 CO -0.62 0.15 -0.12 0.61 -0.53 0.00 0.00 176.83 176.32 2ctj n GLY 59 N -1.33 0.44 2.90 5.77 0.00 0.86 -5.03 105.19 108.80 2ctj n GLY 59 Ca 0.19 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.94 2.88 -0.39 1.61 0.15 -1.26 -5.01 113.70 108.73 2ctj s SER 60 Ca 0.06 -0.68 -0.01 0.00 0.70 0.00 0.00 55.95 56.02 2ctj s SER 60 Cb -0.03 -0.94 0.29 0.00 -1.71 0.00 0.00 66.02 63.63 2ctj s SER 60 CO 0.08 -0.18 1.97 0.47 1.20 0.00 0.00 173.24 176.78 2ctj n ASP 61 N 4.86 6.41 -4.42 5.45 8.00 -1.26 -4.62 116.55 130.96 2ctj n ASP 61 Ca -0.12 -3.22 -0.30 0.00 0.71 0.00 0.00 54.79 51.86 2ctj n ASP 61 Cb 0.48 -1.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.45 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 -2.82 2.52 -0.23 -3.53 2.01 -1.26 -1.11 115.64 111.21 2ctj s THR 62 Ca 0.39 -1.48 0.02 0.00 0.31 0.00 0.00 61.69 60.93 2ctj s THR 62 Cb 0.31 -2.09 0.04 0.00 0.01 0.00 0.00 72.50 70.78 2ctj s THR 62 CO 0.00 0.21 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.32 2ctj s VAL 63 N -1.00 2.19 -0.36 3.82 1.01 -0.93 -4.39 120.40 120.75 2ctj s VAL 63 Ca 0.15 -1.37 -0.20 0.00 0.00 0.00 0.00 61.98 60.56 2ctj s VAL 63 Cb -0.10 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.12 2ctj s VAL 63 CO 0.06 0.17 0.59 -0.69 0.00 0.00 0.00 175.10 175.23 2ctj s VAL 64 N 1.18 4.93 -0.03 2.92 1.01 -1.17 -2.57 120.40 126.67 2ctj s VAL 64 Ca -0.04 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2ctj s VAL 64 Cb -0.17 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2ctj s VAL 64 CO -0.08 -0.31 0.01 -0.63 0.00 0.00 0.00 175.10 174.09 2ctj s ILE 65 N 2.60 4.25 0.11 2.22 1.01 -0.46 -1.37 121.20 129.56 2ctj s ILE 65 Ca 0.22 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.46 2ctj s ILE 65 Cb -0.15 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2ctj s ILE 65 CO 0.15 0.44 -0.16 -0.13 0.00 0.00 0.00 174.94 175.24 2ctj s ARG 66 N -1.38 1.02 0.00 2.79 0.52 0.75 -1.78 118.95 120.87 2ctj s ARG 66 Ca 0.18 -1.16 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 2ctj s ARG 66 Cb -0.11 -1.05 0.00 0.00 0.52 0.00 0.00 34.95 34.30 2ctj s ARG 66 CO 0.08 0.22 0.00 0.41 0.02 0.00 0.00 175.30 176.04 2ctj n GLY 67 N 0.85 0.83 3.67 -3.53 0.00 -1.24 -0.68 105.19 105.09 2ctj n GLY 67 Ca -0.18 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 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 -1.37 4.21 0.18 1.61 0.04 -1.26 -0.67 135.00 137.74 2ctj s PRO 68 Ca 0.00 2.01 -0.27 0.00 0.04 0.00 0.00 61.00 62.79 2ctj s PRO 68 Cb 0.00 -3.84 0.03 0.00 0.04 0.00 0.00 34.50 30.73 2ctj s PRO 68 CO 0.00 -0.76 1.54 0.66 0.04 0.00 0.00 177.00 178.49 2ctj h SER 69 N 8.84 -1.93 -0.95 6.66 4.64 -1.90 0.70 113.55 129.61 2ctj h SER 69 Ca -0.36 0.32 0.35 0.00 -0.47 0.00 0.00 61.79 61.63 2ctj h SER 69 Cb 1.16 0.89 -0.12 0.00 -0.31 0.00 0.00 62.40 64.02 2ctj h SER 69 CO 0.95 -0.25 0.58 -1.20 -0.87 0.00 0.00 176.83 176.04 2ctj n SER 70 N -5.32 0.20 -0.09 4.97 7.64 -1.26 0.33 113.62 120.09 2ctj n SER 70 Ca 0.05 1.13 -0.23 0.00 1.01 0.00 0.00 58.87 60.83 2ctj n SER 70 Cb 0.31 -0.55 -0.12 0.00 -1.01 0.00 0.00 64.21 62.83 2ctj n SER 70 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2ctj n ASP 71 N -4.40 1.93 -0.21 6.43 8.00 0.22 -4.18 116.55 124.34 2ctj n ASP 71 Ca 0.30 0.36 0.01 0.00 0.71 0.00 0.00 54.79 56.17 2ctj n ASP 71 Cb 1.12 -0.92 0.09 0.00 -0.02 0.00 0.00 41.12 41.39 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 -0.76 0.43 -0.89 2.53 2.07 0.24 0.33 116.25 120.20 2ctj h VAL 72 Ca -0.41 -0.02 0.19 0.00 0.82 0.00 0.00 66.70 67.28 2ctj h VAL 72 Cb 1.50 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 2ctj h VAL 72 CO -0.17 0.01 0.59 1.05 0.02 0.00 0.00 177.57 179.07 2ctj h GLU 73 N 0.07 0.46 0.14 1.57 4.11 -0.77 0.31 114.58 120.47 2ctj h GLU 73 Ca 0.33 -0.03 -0.28 0.00 0.07 0.00 0.00 59.36 59.45 2ctj h GLU 73 Cb 0.53 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.68 2ctj h GLU 73 CO -0.59 0.31 -1.25 0.87 0.07 0.00 0.00 179.01 178.41 2ctj h LYS 74 N 0.48 0.30 -0.31 1.06 1.57 -0.64 -2.76 116.57 116.27 2ctj h LYS 74 Ca 0.47 -0.51 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 2ctj h LYS 74 Cb 1.05 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 2ctj h LYS 74 CO -0.19 1.24 -0.34 0.00 -0.57 0.00 0.00 179.45 179.59 2ctj h ALA 75 N 0.55 0.83 -0.07 3.86 0.00 0.12 -1.92 119.26 122.62 2ctj h ALA 75 Ca -0.14 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 2ctj h ALA 75 Cb 1.98 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2ctj h ALA 75 CO 0.21 0.64 -0.14 -0.22 0.00 0.00 0.00 179.25 179.74 2ctj h LYS 76 N 0.58 0.23 0.00 0.00 3.64 -0.56 -1.59 116.57 118.86 2ctj h LYS 76 Ca 0.06 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2ctj h LYS 76 Cb 0.85 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2ctj h LYS 76 CO 0.07 0.73 -0.08 1.57 -2.27 0.00 0.00 179.45 179.47 2ctj h LYS 77 N -0.25 0.00 0.16 1.90 2.10 -1.49 -1.82 116.57 117.16 2ctj h LYS 77 Ca 0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.34 2ctj h LYS 77 Cb 0.72 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.06 2ctj h LYS 77 CO 0.03 0.08 -1.45 1.96 -2.00 0.00 0.00 179.45 178.07 2ctj h GLN 78 N 0.00 0.34 -0.46 0.07 4.20 -1.26 -3.25 115.11 114.75 2ctj h GLN 78 Ca -0.00 -0.58 -0.10 0.00 0.06 0.00 0.00 58.65 58.04 2ctj h GLN 78 Cb 0.24 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2ctj h GLN 78 CO 0.01 1.24 -0.09 1.25 -0.67 0.00 0.00 178.83 180.58 2ctj h LEU 79 N 0.09 0.87 -0.38 1.46 5.85 -0.75 -2.57 115.31 119.89 2ctj h LEU 79 Ca -0.22 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.18 2ctj h LEU 79 Cb 2.05 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.80 2ctj h LEU 79 CO 0.20 1.02 0.16 -0.07 -0.34 0.00 0.00 178.44 179.41 2ctj h LEU 80 N 0.71 0.20 0.87 2.25 4.07 -1.47 0.15 115.31 122.09 2ctj h LEU 80 Ca 0.12 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.07 2ctj h LEU 80 Cb 0.62 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.37 2ctj h LEU 80 CO 0.04 0.15 -0.43 -0.74 -1.08 0.00 0.00 178.44 176.38 2ctj h HIS 81 N 0.33 -1.13 -0.45 1.13 2.76 -1.57 -2.95 115.15 113.27 2ctj h HIS 81 Ca 0.17 -0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.40 2ctj h HIS 81 Cb 0.12 0.38 -0.08 0.00 1.55 0.00 0.00 27.41 29.37 2ctj h HIS 81 CO -0.13 -0.69 -0.07 -0.07 -1.30 0.00 0.00 177.93 175.68 2ctj h LEU 82 N -1.18 -0.33 -0.95 0.26 3.38 -1.38 -0.79 115.31 114.32 2ctj h LEU 82 Ca -0.12 0.12 0.24 0.00 0.09 0.00 0.00 57.88 58.22 2ctj h LEU 82 Cb 0.91 0.24 -0.17 0.00 0.09 0.00 0.00 40.66 41.73 2ctj h LEU 82 CO 0.18 -0.12 -0.02 0.00 0.09 0.00 0.00 178.44 178.58 2ctj h ALA 83 N 1.43 1.01 -0.03 1.53 0.00 -0.62 0.20 119.26 122.78 2ctj h ALA 83 Ca 0.22 0.33 -0.06 0.00 0.00 0.00 0.00 54.91 55.40 2ctj h ALA 83 Cb 0.34 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2ctj h ALA 83 CO -0.43 -0.51 -0.21 0.93 0.00 0.00 0.00 179.25 179.03 2ctj h GLU 84 N 0.03 0.20 -0.43 0.00 5.08 -1.09 -3.26 114.58 115.10 2ctj h GLU 84 Ca 0.54 -0.17 0.09 0.00 -1.00 0.00 0.00 59.36 58.82 2ctj h GLU 84 Cb 1.05 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.25 2ctj h GLU 84 CO -0.89 0.84 -0.27 0.93 -1.00 0.00 0.00 179.01 178.62 2ctj h GLU 85 N -0.39 -0.18 -0.63 2.33 5.08 0.49 -1.13 114.58 120.16 2ctj h GLU 85 Ca -0.02 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.48 2ctj h GLU 85 Cb 0.89 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 30.06 2ctj h GLU 85 CO 0.04 -0.12 -0.16 0.87 -1.00 0.00 0.00 179.01 178.65 2ctj h LYS 86 N -0.18 -0.00 -7.50 2.33 1.79 -0.83 -3.37 116.57 108.81 2ctj h LYS 86 Ca 0.20 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 58.18 2ctj h LYS 86 Cb 0.50 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.23 2ctj h LYS 86 CO -0.54 -0.00 0.41 1.14 -1.08 0.00 0.00 179.45 179.38 2ctj s GLN 87 N -6.23 2.65 -1.73 3.15 -2.07 -0.43 -3.96 119.66 111.04 2ctj s GLN 87 Ca -0.14 0.42 -0.19 0.00 -1.82 0.00 0.00 55.36 53.62 2ctj s GLN 87 Cb 0.19 -2.00 0.17 0.00 -1.09 0.00 0.00 33.01 30.28 2ctj s GLN 87 CO 0.74 -1.17 0.77 0.25 -1.32 0.00 0.00 175.29 174.55 2ctj n THR 88 N -3.09 -0.90 -0.07 3.63 -2.24 -1.26 -4.86 114.28 105.49 2ctj n THR 88 Ca 0.07 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.77 2ctj n THR 88 Cb 0.58 -1.53 -0.04 0.00 -2.10 0.00 0.00 70.33 67.23 2ctj n THR 88 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2ctj h LYS 89 N -1.42 0.00 -2.76 -0.78 1.63 -1.73 -3.50 116.57 108.02 2ctj h LYS 89 Ca -0.59 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.10 2ctj h LYS 89 Cb 1.38 0.00 -0.20 0.00 -0.60 0.00 0.00 32.23 32.81 2ctj h LYS 89 CO 0.80 0.26 -0.17 -1.54 -3.45 0.00 0.00 179.45 175.35 2ctj s SER 90 N -5.94 -0.33 -0.20 4.20 1.04 -1.26 -5.17 113.70 106.04 2ctj s SER 90 Ca -0.14 0.33 -0.28 0.00 0.48 0.00 0.00 55.95 56.33 2ctj s SER 90 Cb 0.02 0.44 0.12 0.00 0.10 0.00 0.00 66.02 66.70 2ctj s SER 90 CO 0.27 -0.44 0.99 -0.83 0.98 0.00 0.00 173.24 174.22 2ctj s GLY 91 N -1.09 -0.24 0.31 7.32 0.00 -1.26 -5.04 107.32 107.32 2ctj s GLY 91 Ca -0.11 2.24 0.10 0.00 0.00 0.00 0.00 44.72 46.94 2ctj s GLY 91 CO 0.05 1.33 1.70 -0.56 0.00 0.00 0.00 173.10 175.62 2ctj h PRO 92 N 3.19 0.07 -3.10 2.90 0.13 -2.06 -3.47 132.00 129.67 2ctj h PRO 92 Ca -0.22 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 64.91 2ctj h PRO 92 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 2ctj h PRO 92 CO 0.24 0.54 0.17 0.45 -0.23 0.00 0.00 178.00 179.17 2ctj s SER 93 N -6.89 -0.26 0.43 1.44 0.15 -1.26 -5.15 113.70 102.15 2ctj s SER 93 Ca -0.03 -0.59 -0.25 0.00 0.70 0.00 0.00 55.95 55.78 2ctj s SER 93 Cb 0.13 0.69 -0.08 0.00 -1.71 0.00 0.00 66.02 65.05 2ctj s SER 93 CO 0.75 -1.27 1.27 -0.55 1.20 0.00 0.00 173.24 174.65 2ctj s SER 94 N -2.92 6.19 0.00 5.45 0.15 -1.26 -5.19 113.70 116.12 2ctj s SER 94 Ca 0.11 2.58 0.00 0.00 0.70 0.00 0.00 55.95 59.35 2ctj s SER 94 Cb -0.05 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2ctj s SER 94 CO 0.05 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.17