#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 0.18 -0.53 1.61 0.01 -1.26 -5.11 113.70 108.60 2ctj s SER 2 Ca 0.00 -0.99 -0.28 0.00 1.31 0.00 0.00 55.95 55.98 2ctj s SER 2 Cb 0.00 0.36 0.03 0.00 0.21 0.00 0.00 66.02 66.62 2ctj s SER 2 CO 0.00 -0.80 1.16 -0.94 0.41 0.00 0.00 173.24 173.07 2ctj s SER 3 N -2.99 6.54 -0.03 2.44 1.04 -1.26 -4.27 113.70 115.17 2ctj s SER 3 Ca 0.18 0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.88 2ctj s SER 3 Cb 0.05 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2ctj s SER 3 CO -0.01 -1.36 0.05 0.61 0.98 0.00 0.00 173.24 173.51 2ctj n GLY 4 N 4.96 -0.70 3.57 7.32 0.00 -1.26 -4.95 105.19 114.12 2ctj n GLY 4 Ca 0.10 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2ctj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctj s SER 5 N -1.20 6.24 -0.18 1.61 1.04 -1.26 -4.96 113.70 114.99 2ctj s SER 5 Ca 0.02 0.01 -0.05 0.00 0.48 0.00 0.00 55.95 56.41 2ctj s SER 5 Cb -0.00 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.63 2ctj s SER 5 CO 0.06 -1.67 0.12 -0.44 0.98 0.00 0.00 173.24 172.28 2ctj s SER 6 N 3.74 2.16 0.00 7.02 0.01 -1.26 -5.11 113.70 120.26 2ctj s SER 6 Ca 0.44 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2ctj s SER 6 Cb -0.09 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2ctj s SER 6 CO 0.22 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2ctj n GLY 7 N 5.29 4.43 3.66 3.44 0.00 -1.26 -5.19 105.19 115.56 2ctj n GLY 7 Ca -0.07 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 0.09 -0.17 1.61 0.01 -1.26 -5.16 113.70 108.83 2ctj s SER 8 Ca 0.00 -1.02 -0.03 0.00 1.31 0.00 0.00 55.95 56.21 2ctj s SER 8 Cb 0.00 0.68 -0.02 0.00 0.21 0.00 0.00 66.02 66.89 2ctj s SER 8 CO 0.00 -1.32 -0.06 0.27 0.41 0.00 0.00 173.24 172.54 2ctj s ILE 9 N -3.47 3.57 -0.23 1.44 -4.36 -1.26 -5.09 121.20 111.79 2ctj s ILE 9 Ca 0.21 -0.46 -0.26 0.00 -0.26 0.00 0.00 60.65 59.87 2ctj s ILE 9 Cb -0.02 -2.57 0.09 0.00 1.25 0.00 0.00 42.46 41.21 2ctj s ILE 9 CO 0.11 0.48 0.81 0.00 0.24 0.00 0.00 174.94 176.59 2ctj s GLN 10 N 0.66 0.77 -0.39 0.37 0.00 -1.26 -5.13 119.66 114.68 2ctj s GLN 10 Ca -0.03 0.73 -0.16 0.00 -0.00 0.00 0.00 55.36 55.89 2ctj s GLN 10 Cb -0.15 0.37 0.01 0.00 0.00 0.00 0.00 33.01 33.25 2ctj s GLN 10 CO 0.02 -0.13 0.40 0.15 0.00 0.00 0.00 175.29 175.73 2ctj s LYS 11 N 0.01 3.24 -0.27 9.60 1.02 -1.26 -5.03 119.74 127.05 2ctj s LYS 11 Ca -0.01 -0.67 -0.24 0.00 0.02 0.00 0.00 55.97 55.07 2ctj s LYS 11 Cb -0.04 -3.91 0.08 0.00 -0.52 0.00 0.00 37.83 33.44 2ctj s LYS 11 CO 0.01 -0.73 0.77 -0.51 -0.92 0.00 0.00 175.35 173.96 2ctj s ASP 12 N 1.77 -0.72 0.00 2.83 1.11 -1.26 -5.18 116.67 115.22 2ctj s ASP 12 Ca 0.11 1.36 -0.20 0.00 0.18 0.00 0.00 52.55 54.00 2ctj s ASP 12 Cb -0.17 1.37 0.04 0.00 1.07 0.00 0.00 42.92 45.23 2ctj s ASP 12 CO 0.13 -0.23 0.45 -0.76 1.18 0.00 0.00 175.17 175.93 2ctj s LEU 13 N 0.50 0.28 0.06 1.23 1.43 -1.26 -5.18 118.68 115.74 2ctj s LEU 13 Ca -0.01 0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 53.04 2ctj s LEU 13 Cb -0.05 1.79 0.09 0.00 0.03 0.00 0.00 46.19 48.05 2ctj s LEU 13 CO -0.02 -0.58 1.19 0.00 0.23 0.00 0.00 176.35 177.17 2ctj s ALA 14 N -1.76 -2.11 -0.03 4.21 0.00 -1.26 -5.09 121.76 115.71 2ctj s ALA 14 Ca -0.10 0.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.85 2ctj s ALA 14 Cb -0.02 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 2ctj s ALA 14 CO 0.03 -1.10 -0.11 0.27 0.00 0.00 0.00 175.76 174.85 2ctj n ASN 15 N -0.99 1.03 -4.45 0.00 0.23 -1.26 -5.04 115.26 104.78 2ctj n ASN 15 Ca -0.01 0.16 -0.48 0.00 -0.53 0.00 0.00 54.58 53.71 2ctj n ASN 15 Cb 0.60 -0.37 -0.03 0.00 -2.08 0.00 0.00 39.78 37.90 2ctj n ASN 15 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2ctj n ILE 16 N -3.61 1.77 -3.86 1.53 2.08 -1.26 -4.83 119.36 111.19 2ctj n ILE 16 Ca -0.10 -0.44 -0.36 0.00 0.56 0.00 0.00 62.75 62.41 2ctj n ILE 16 Cb 0.36 -0.21 -0.13 0.00 -0.75 0.00 0.00 39.64 38.90 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 -0.88 2.89 -0.30 -1.39 0.00 0.32 -4.92 121.76 117.48 2ctj s ALA 17 Ca 0.66 -1.76 -0.21 0.00 0.00 0.00 0.00 51.96 50.65 2ctj s ALA 17 Cb -0.92 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 2ctj s ALA 17 CO 0.57 -1.30 0.68 -2.00 0.00 0.00 0.00 175.76 173.71 2ctj s GLU 18 N 1.30 3.93 -0.12 0.00 -6.30 -1.26 -3.74 118.70 112.51 2ctj s GLU 18 Ca -0.04 0.40 0.01 0.00 -2.50 0.00 0.00 54.97 52.84 2ctj s GLU 18 Cb -0.20 -3.72 0.02 0.00 0.00 0.00 0.00 34.13 30.23 2ctj s GLU 18 CO 0.00 -0.59 -0.14 0.08 0.02 0.00 0.00 175.26 174.63 2ctj s VAL 19 N 2.70 1.49 0.19 3.70 1.01 -1.04 -4.98 120.40 123.47 2ctj s VAL 19 Ca 0.27 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2ctj s VAL 19 Cb -0.15 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2ctj s VAL 19 CO 0.12 0.44 0.34 -1.61 0.00 0.00 0.00 175.10 174.39 2ctj s GLU 20 N 1.23 3.47 0.03 2.72 2.02 -1.26 -2.48 118.70 124.43 2ctj s GLU 20 Ca -0.01 -0.51 -0.02 0.00 0.02 0.00 0.00 54.97 54.44 2ctj s GLU 20 Cb -0.14 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 2ctj s GLU 20 CO -0.06 0.45 0.02 0.54 0.02 0.00 0.00 175.26 176.24 2ctj s VAL 21 N -1.84 0.13 -0.22 2.63 0.11 -0.99 -4.97 120.40 115.26 2ctj s VAL 21 Ca 0.36 -1.09 -0.25 0.00 -2.93 0.00 0.00 61.98 58.06 2ctj s VAL 21 Cb -0.11 -0.67 -0.01 0.00 -1.53 0.00 0.00 36.38 34.07 2ctj s VAL 21 CO 0.29 -0.60 0.86 -0.55 -3.33 0.00 0.00 175.10 171.76 2ctj s SER 22 N -1.88 6.91 -0.21 3.54 0.15 -1.26 -1.76 113.70 119.18 2ctj s SER 22 Ca -0.09 1.13 -0.18 0.00 0.70 0.00 0.00 55.95 57.50 2ctj s SER 22 Cb -0.04 -2.46 0.06 0.00 -1.71 0.00 0.00 66.02 61.87 2ctj s SER 22 CO -0.03 -0.49 0.55 -0.63 1.20 0.00 0.00 173.24 173.84 2ctj s ILE 23 N 2.65 -0.00 0.36 6.45 1.01 -0.04 -4.99 121.20 126.63 2ctj s ILE 23 Ca 0.37 0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.76 2ctj s ILE 23 Cb -0.16 -0.77 -0.09 0.00 0.01 0.00 0.00 42.46 41.45 2ctj s ILE 23 CO 0.09 0.00 1.21 -2.16 0.00 0.00 0.00 174.94 174.08 2ctj s PRO 24 N 0.45 4.26 0.08 2.79 0.04 -1.26 -4.18 135.00 137.17 2ctj s PRO 24 Ca -0.01 1.97 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 2ctj s PRO 24 Cb -0.04 -2.91 -0.18 0.00 0.04 0.00 0.00 34.50 31.42 2ctj s PRO 24 CO -0.01 -0.19 1.66 0.00 0.04 0.00 0.00 177.00 178.50 2ctj h ALA 25 N 3.10 -0.59 -1.89 8.56 0.00 -1.90 -1.51 119.26 125.04 2ctj h ALA 25 Ca -0.48 -0.13 0.56 0.00 0.00 0.00 0.00 54.91 54.85 2ctj h ALA 25 Cb 1.23 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 19.16 2ctj h ALA 25 CO 0.64 -0.83 1.34 0.36 0.00 0.00 0.00 179.25 180.77 2ctj n LYS 26 N -5.34 -0.01 0.03 0.00 0.00 -1.26 0.15 118.16 111.74 2ctj n LYS 26 Ca -0.11 1.11 -0.22 0.00 -0.00 0.00 0.00 58.31 59.09 2ctj n LYS 26 Cb 0.25 -2.49 -0.14 0.00 -0.00 0.00 0.00 35.03 32.64 2ctj n LYS 26 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2ctj h LEU 27 N 0.00 0.49 -0.72 -5.58 3.38 -1.81 -3.38 115.31 107.70 2ctj h LEU 27 Ca 0.93 -0.93 0.13 0.00 0.09 0.00 0.00 57.88 58.11 2ctj h LEU 27 Cb 3.64 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 44.10 2ctj h LEU 27 CO -0.08 1.82 -0.21 1.41 0.09 0.00 0.00 178.44 181.47 2ctj n HIS 28 N -3.52 0.20 -0.13 1.13 8.25 0.39 0.19 115.22 121.72 2ctj n HIS 28 Ca -0.29 0.88 -0.09 0.00 -0.26 0.00 0.00 57.72 57.96 2ctj n HIS 28 Cb 1.06 -0.88 -0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 0.51 0.81 0.41 2.35 -1.72 -1.99 115.58 115.95 2ctj h ASN 29 Ca 0.32 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 2ctj h ASN 29 Cb 0.50 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 2ctj h ASN 29 CO -0.73 0.47 -0.49 0.28 -1.65 0.00 0.00 177.43 175.31 2ctj h SER 30 N 0.51 -1.23 -0.62 5.81 0.02 0.19 -0.41 113.55 117.82 2ctj h SER 30 Ca 0.14 0.07 0.13 0.00 -0.84 0.00 0.00 61.79 61.28 2ctj h SER 30 Cb 0.08 0.35 -0.11 0.00 0.14 0.00 0.00 62.40 62.86 2ctj h SER 30 CO -0.02 -0.75 -0.08 -0.07 -1.14 0.00 0.00 176.83 174.76 2ctj h LEU 31 N -1.21 -0.44 0.48 5.07 3.38 -0.88 -2.57 115.31 119.14 2ctj h LEU 31 Ca -0.11 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2ctj h LEU 31 Cb 0.97 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 2ctj h LEU 31 CO 0.11 -0.17 -0.33 0.40 0.09 0.00 0.00 178.44 178.54 2ctj h ILE 32 N 0.05 0.00 0.00 1.22 2.04 -1.18 -3.33 117.51 116.31 2ctj h ILE 32 Ca 0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.17 2ctj h ILE 32 Cb 0.50 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2ctj h ILE 32 CO -0.59 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.17 2ctj n GLY 33 N -1.41 3.08 0.49 5.37 0.00 -0.18 -2.50 105.19 110.05 2ctj n GLY 33 Ca -0.09 -1.71 0.33 0.00 0.00 0.00 0.00 46.02 44.55 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 0.35 -0.01 2.61 1.03 -1.87 0.31 112.91 115.33 2ctj h THR 34 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.35 2ctj h THR 34 Cb 0.00 0.19 0.00 0.00 -1.07 0.00 0.00 68.15 67.27 2ctj h THR 34 CO 0.00 0.03 0.00 1.17 -0.01 0.00 0.00 175.52 176.71 2ctj n LYS 35 N -4.42 2.45 -2.01 0.00 4.81 -1.26 -4.98 118.16 112.75 2ctj n LYS 35 Ca 0.30 -1.39 -0.15 0.00 -0.87 0.00 0.00 58.31 56.20 2ctj n LYS 35 Cb 1.23 -1.01 -0.02 0.00 0.02 0.00 0.00 35.03 35.24 2ctj n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ctj n GLY 36 N -0.39 0.31 0.13 3.14 0.00 0.11 -4.90 105.19 103.59 2ctj n GLY 36 Ca 0.01 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 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 0.40 -0.45 1.61 0.11 -1.80 -1.06 114.38 113.19 2ctj h ARG 37 Ca -0.33 -0.66 0.05 0.00 0.10 0.00 0.00 59.98 59.14 2ctj h ARG 37 Cb 1.16 0.24 -0.03 0.00 1.11 0.00 0.00 29.97 32.46 2ctj h ARG 37 CO 0.42 1.31 0.30 -0.07 0.10 0.00 0.00 179.97 182.03 2ctj h LEU 38 N 0.12 0.34 0.07 0.08 -0.00 -1.72 -1.45 115.31 112.76 2ctj h LEU 38 Ca -0.18 -0.00 -0.34 0.00 -0.00 0.00 0.00 57.88 57.36 2ctj h LEU 38 Cb 2.02 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 42.57 2ctj h LEU 38 CO 0.23 0.23 -1.89 -0.38 -0.00 0.00 0.00 178.44 176.62 2ctj n ILE 39 N -4.48 1.68 -0.22 1.22 2.08 -1.12 -3.92 119.36 114.61 2ctj n ILE 39 Ca 0.06 -0.47 0.02 0.00 0.56 0.00 0.00 62.75 62.92 2ctj n ILE 39 Cb 0.23 -1.79 0.13 0.00 -0.75 0.00 0.00 39.64 37.46 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 -0.27 0.27 0.34 0.38 3.08 -0.98 -0.67 114.38 116.52 2ctj h ARG 40 Ca -0.44 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.59 2ctj h ARG 40 Cb 1.81 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.80 2ctj h ARG 40 CO -0.03 0.18 -0.23 1.03 -1.07 0.00 0.00 179.97 179.85 2ctj h SER 41 N 0.28 -0.58 -0.64 7.04 0.87 -1.46 -2.65 113.55 116.41 2ctj h SER 41 Ca 0.35 0.04 0.11 0.00 -1.23 0.00 0.00 61.79 61.06 2ctj h SER 41 Cb 0.54 0.18 -0.08 0.00 -0.44 0.00 0.00 62.40 62.59 2ctj h SER 41 CO -0.43 -0.36 0.20 0.40 -0.53 0.00 0.00 176.83 176.12 2ctj h ILE 42 N -0.55 0.68 -0.11 2.23 2.04 -1.51 0.32 117.51 120.61 2ctj h ILE 42 Ca -0.03 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.74 2ctj h ILE 42 Cb 0.47 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2ctj h ILE 42 CO 0.02 0.06 0.16 0.24 0.00 0.00 0.00 178.15 178.64 2ctj h MET 43 N 0.35 0.00 0.00 2.37 2.86 -0.86 0.20 114.93 119.85 2ctj h MET 43 Ca 0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 2ctj h MET 43 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2ctj h MET 43 CO -0.37 0.00 -0.28 1.49 1.06 0.00 0.00 176.91 178.81 2ctj h GLU 44 N 0.00 0.00 -0.96 1.72 4.81 -0.10 0.13 114.58 120.18 2ctj h GLU 44 Ca 0.05 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.42 2ctj h GLU 44 Cb 0.38 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.67 2ctj h GLU 44 CO -0.00 0.00 0.58 1.05 -0.73 0.00 0.00 179.01 179.91 2ctj h GLU 45 N -0.81 0.84 -0.74 1.92 4.11 -0.98 -0.84 114.58 118.07 2ctj h GLU 45 Ca 0.00 -0.05 0.05 0.00 0.07 0.00 0.00 59.36 59.43 2ctj h GLU 45 Cb 0.28 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 2ctj h GLU 45 CO 0.00 0.55 0.45 0.00 0.07 0.00 0.00 179.01 180.08 2ctj n GLY 47 N -1.30 2.41 0.00 0.00 0.00 -0.32 -4.70 105.19 101.28 2ctj n GLY 47 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.01 3.98 -0.02 0.00 0.43 -4.89 105.19 104.70 2ctj n GLY 48 Ca 0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 4.31 -0.27 1.61 -7.23 -1.10 -4.85 120.40 112.87 2ctj s VAL 49 Ca 0.00 -0.96 0.02 0.00 -1.81 0.00 0.00 61.98 59.23 2ctj s VAL 49 Cb 0.00 -3.51 0.06 0.00 0.56 0.00 0.00 36.38 33.49 2ctj s VAL 49 CO 0.00 -0.20 -0.09 -1.00 -0.31 0.00 0.00 175.10 173.50 2ctj s HIS 50 N -2.16 3.27 0.09 2.82 0.09 0.75 -4.75 115.29 115.41 2ctj s HIS 50 Ca 0.43 -2.23 -0.17 0.00 -0.00 0.00 0.00 55.06 53.08 2ctj s HIS 50 Cb -0.09 -1.97 -0.07 0.00 -0.00 0.00 0.00 32.58 30.45 2ctj s HIS 50 CO 0.31 -0.86 0.55 0.42 -0.00 0.00 0.00 174.74 175.16 2ctj s ILE 51 N 1.13 4.80 -0.05 0.60 1.01 -1.26 -0.63 121.20 126.80 2ctj s ILE 51 Ca -0.08 1.05 0.06 0.00 0.00 0.00 0.00 60.65 61.68 2ctj s ILE 51 Cb -0.20 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 2ctj s ILE 51 CO -0.04 0.44 -0.23 -1.00 0.00 0.00 0.00 174.94 174.11 2ctj s HIS 52 N -1.24 2.26 -0.08 3.97 3.76 0.20 -4.98 115.29 119.18 2ctj s HIS 52 Ca 0.32 -0.67 0.04 0.00 -0.15 0.00 0.00 55.06 54.60 2ctj s HIS 52 Cb -0.18 -1.49 -0.00 0.00 1.11 0.00 0.00 32.58 32.02 2ctj s HIS 52 CO 0.19 -0.20 -0.23 -0.06 -0.85 0.00 0.00 174.74 173.58 2ctj s PHE 53 N -0.12 2.38 0.40 1.40 0.08 -1.26 -1.59 117.98 119.27 2ctj s PHE 53 Ca -0.04 -0.90 -0.25 0.00 0.12 0.00 0.00 56.93 55.86 2ctj s PHE 53 Cb -0.13 -1.59 -0.08 0.00 -0.57 0.00 0.00 43.02 40.64 2ctj s PHE 53 CO 0.03 -0.35 1.19 -1.25 -0.10 0.00 0.00 175.22 174.75 2ctj s PRO 54 N 0.24 4.04 0.17 0.24 0.04 -1.26 -5.01 135.00 133.47 2ctj s PRO 54 Ca -0.14 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 2ctj s PRO 54 Cb -0.16 -2.69 -0.07 0.00 0.04 0.00 0.00 34.50 31.61 2ctj s PRO 54 CO 0.07 -0.35 0.94 0.08 0.04 0.00 0.00 177.00 177.79 2ctj s VAL 55 N -1.39 4.30 0.18 -0.36 1.01 -1.26 -4.88 120.40 118.00 2ctj s VAL 55 Ca 0.57 2.06 -0.14 0.00 0.00 0.00 0.00 61.98 64.48 2ctj s VAL 55 Cb -0.32 -4.32 0.18 0.00 0.00 0.00 0.00 36.38 31.92 2ctj s VAL 55 CO 0.40 0.41 1.19 1.21 0.00 0.00 0.00 175.10 178.31 2ctj n GLU 56 N 2.16 -0.19 -0.32 2.72 0.00 -1.26 -0.33 120.64 123.43 2ctj n GLU 56 Ca 0.00 1.18 -0.06 0.00 0.00 0.00 0.00 57.16 58.28 2ctj n GLU 56 Cb 0.48 -1.76 -0.04 0.00 0.00 0.00 0.00 31.44 30.12 2ctj n GLU 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ctj n GLY 57 N -1.36 -1.88 0.23 8.31 0.00 -1.26 0.89 105.19 110.12 2ctj n GLY 57 Ca 0.08 0.90 -0.02 0.00 0.00 0.00 0.00 46.02 46.98 2ctj n GLY 57 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ctj h SER 58 N 0.00 0.36 -1.77 1.61 0.02 -1.06 -3.47 113.55 109.25 2ctj h SER 58 Ca 0.17 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2ctj h SER 58 Cb 0.36 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.90 2ctj h SER 58 CO -0.74 0.23 -0.04 0.61 -1.14 0.00 0.00 176.83 175.76 2ctj n GLY 59 N -1.28 0.61 3.21 -3.77 0.00 0.26 -5.06 105.19 99.16 2ctj n GLY 59 Ca 0.07 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.05 3.72 -0.31 1.61 0.15 -1.26 -4.99 113.70 109.57 2ctj s SER 60 Ca 0.01 -0.56 0.01 0.00 0.70 0.00 0.00 55.95 56.12 2ctj s SER 60 Cb -0.01 -1.60 0.35 0.00 -1.71 0.00 0.00 66.02 63.05 2ctj s SER 60 CO 0.04 -0.02 1.70 -0.90 1.20 0.00 0.00 173.24 175.26 2ctj n ASP 61 N 4.70 4.55 -4.08 5.45 5.68 -1.26 -4.59 116.55 126.99 2ctj n ASP 61 Ca -0.19 -3.04 -0.32 0.00 -0.50 0.00 0.00 54.79 50.74 2ctj n ASP 61 Cb 0.50 -0.81 -0.15 0.00 -1.14 0.00 0.00 41.12 39.51 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 -2.24 2.13 0.31 2.12 2.01 -1.26 -0.86 115.64 117.86 2ctj s THR 62 Ca 0.35 -1.45 -0.24 0.00 0.31 0.00 0.00 61.69 60.67 2ctj s THR 62 Cb 0.29 -2.16 -0.10 0.00 0.01 0.00 0.00 72.50 70.54 2ctj s THR 62 CO 0.04 0.12 0.88 -0.69 -0.69 0.00 0.00 174.62 174.28 2ctj s VAL 63 N 1.15 4.33 -0.25 3.82 1.01 -0.72 -4.61 120.40 125.14 2ctj s VAL 63 Ca -0.05 1.63 0.02 0.00 0.00 0.00 0.00 61.98 63.58 2ctj s VAL 63 Cb -0.18 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.34 2ctj s VAL 63 CO -0.07 0.10 -0.11 -0.69 0.00 0.00 0.00 175.10 174.32 2ctj s VAL 64 N -1.67 2.23 0.00 2.92 1.01 -0.62 -2.35 120.40 121.93 2ctj s VAL 64 Ca 0.50 -1.50 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 2ctj s VAL 64 Cb -0.17 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2ctj s VAL 64 CO 0.22 0.05 0.11 -0.63 0.00 0.00 0.00 175.10 174.85 2ctj s ILE 65 N 1.15 4.91 0.03 2.22 1.01 -1.03 0.60 121.20 130.07 2ctj s ILE 65 Ca -0.06 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.26 2ctj s ILE 65 Cb -0.19 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.00 2ctj s ILE 65 CO -0.06 0.33 -0.12 -0.13 0.00 0.00 0.00 174.94 174.96 2ctj s ARG 66 N -1.84 0.83 0.00 2.79 0.52 0.20 -2.49 118.95 118.95 2ctj s ARG 66 Ca 0.25 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 2ctj s ARG 66 Cb -0.12 -0.79 0.00 0.00 0.52 0.00 0.00 34.95 34.56 2ctj s ARG 66 CO 0.16 0.20 0.00 0.41 0.02 0.00 0.00 175.30 176.09 2ctj n GLY 67 N 2.11 0.77 3.62 -3.53 0.00 -1.25 -0.18 105.19 106.74 2ctj n GLY 67 Ca -0.17 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.89 3.69 0.24 1.61 0.04 -1.26 -0.52 135.00 136.91 2ctj s PRO 68 Ca 0.00 1.56 0.01 0.00 0.04 0.00 0.00 61.00 62.61 2ctj s PRO 68 Cb 0.00 -4.06 0.58 0.00 0.04 0.00 0.00 34.50 31.06 2ctj s PRO 68 CO 0.00 -1.42 1.22 -1.13 0.04 0.00 0.00 177.00 175.71 2ctj n SER 69 N 8.82 -0.10 -0.28 6.66 3.41 -1.26 0.14 113.62 131.01 2ctj n SER 69 Ca 0.19 1.33 0.08 0.00 -0.26 0.00 0.00 58.87 60.21 2ctj n SER 69 Cb 0.46 -0.48 0.20 0.00 -0.26 0.00 0.00 64.21 64.12 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 -0.31 0.13 4.04 0.02 -1.98 -0.46 113.55 114.98 2ctj h SER 70 Ca 0.47 0.21 -0.25 0.00 -0.84 0.00 0.00 61.79 61.38 2ctj h SER 70 Cb 0.95 0.35 0.01 0.00 0.14 0.00 0.00 62.40 63.85 2ctj h SER 70 CO -0.74 -0.20 -1.22 0.44 -1.14 0.00 0.00 176.83 173.97 2ctj h ASP 71 N 0.11 0.44 -0.88 3.07 3.32 1.00 -3.36 116.42 120.12 2ctj h ASP 71 Ca 0.46 -0.89 0.22 0.00 0.02 0.00 0.00 57.03 56.84 2ctj h ASP 71 Cb 0.85 -0.14 -0.16 0.00 0.22 0.00 0.00 39.33 40.10 2ctj h ASP 71 CO -0.70 1.55 0.03 0.58 -1.72 0.00 0.00 179.24 178.97 2ctj h VAL 72 N -0.30 0.19 -0.86 -1.35 2.07 0.09 0.59 116.25 116.67 2ctj h VAL 72 Ca -0.25 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.37 2ctj h VAL 72 Cb 1.75 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 31.54 2ctj h VAL 72 CO 0.10 0.01 0.48 1.05 0.02 0.00 0.00 177.57 179.24 2ctj h GLU 73 N 0.07 0.73 -0.35 1.57 4.11 -1.26 0.35 114.58 119.80 2ctj h GLU 73 Ca 0.51 -0.04 -0.17 0.00 0.07 0.00 0.00 59.36 59.73 2ctj h GLU 73 Cb 0.97 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2ctj h GLU 73 CO -0.79 0.48 -0.43 0.87 0.07 0.00 0.00 179.01 179.21 2ctj h LYS 74 N 0.75 0.90 -0.21 1.06 1.57 -0.06 -2.30 116.57 118.28 2ctj h LYS 74 Ca 0.44 -0.50 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 2ctj h LYS 74 Cb 0.51 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2ctj h LYS 74 CO -0.30 1.15 -0.32 0.00 -0.57 0.00 0.00 179.45 179.41 2ctj h ALA 75 N 0.78 1.07 0.37 3.86 0.00 0.09 -2.60 119.26 122.83 2ctj h ALA 75 Ca 0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2ctj h ALA 75 Cb 1.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2ctj h ALA 75 CO 0.10 0.58 -0.18 -0.22 0.00 0.00 0.00 179.25 179.53 2ctj h LYS 76 N 0.37 -0.48 -0.76 0.00 3.64 -0.27 -2.12 116.57 116.95 2ctj h LYS 76 Ca 0.05 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.65 2ctj h LYS 76 Cb 0.74 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.63 2ctj h LYS 76 CO 0.06 -0.16 0.52 1.57 -2.27 0.00 0.00 179.45 179.17 2ctj h LYS 77 N -0.92 0.20 -0.26 1.90 2.10 -1.44 0.59 116.57 118.74 2ctj h LYS 77 Ca -0.05 -0.01 -0.19 0.00 -2.00 0.00 0.00 60.65 58.39 2ctj h LYS 77 Cb 0.54 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2ctj h LYS 77 CO 0.08 0.13 -0.59 1.96 -2.00 0.00 0.00 179.45 179.04 2ctj h GLN 78 N 0.21 0.86 -0.40 0.07 4.20 -1.39 -2.57 115.11 116.09 2ctj h GLN 78 Ca 0.37 -0.58 -0.08 0.00 0.06 0.00 0.00 58.65 58.43 2ctj h GLN 78 Cb 1.16 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 2ctj h GLN 78 CO -0.08 1.21 -0.06 1.25 -0.67 0.00 0.00 178.83 180.48 2ctj h LEU 79 N 0.64 0.75 -0.30 1.46 5.85 -0.24 -2.46 115.31 121.01 2ctj h LEU 79 Ca 0.00 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 2ctj h LEU 79 Cb 1.20 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2ctj h LEU 79 CO 0.13 0.92 0.18 -0.07 -0.34 0.00 0.00 178.44 179.27 2ctj h LEU 80 N 0.57 0.36 0.59 2.25 4.07 -1.18 0.98 115.31 122.94 2ctj h LEU 80 Ca 0.11 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 2ctj h LEU 80 Cb 0.57 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 2ctj h LEU 80 CO 0.03 0.29 -0.43 -0.74 -1.08 0.00 0.00 178.44 176.52 2ctj h HIS 81 N 0.39 -1.15 0.65 1.13 2.76 -1.41 -2.68 115.15 114.84 2ctj h HIS 81 Ca 0.11 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 2ctj h HIS 81 Cb -0.00 0.42 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 2ctj h HIS 81 CO -0.05 -0.62 -0.47 -0.07 -1.30 0.00 0.00 177.93 175.43 2ctj h LEU 82 N -0.98 -1.22 -0.75 0.26 3.38 -1.39 0.12 115.31 114.74 2ctj h LEU 82 Ca -0.07 0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.19 2ctj h LEU 82 Cb 0.82 0.37 -0.14 0.00 0.09 0.00 0.00 40.66 41.80 2ctj h LEU 82 CO 0.03 -0.69 0.03 0.00 0.09 0.00 0.00 178.44 177.90 2ctj n ALA 83 N -2.73 0.40 -0.03 1.53 0.00 0.33 0.69 120.51 120.70 2ctj n ALA 83 Ca -0.13 0.80 -0.15 0.00 0.00 0.00 0.00 53.44 53.96 2ctj n ALA 83 Cb 0.47 -0.59 -0.11 0.00 0.00 0.00 0.00 19.45 19.21 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 0.12 -0.38 0.00 4.39 -1.12 -2.86 114.58 114.74 2ctj h GLU 84 Ca 0.46 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 60.07 2ctj h GLU 84 Cb 0.97 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.59 2ctj h GLU 84 CO -0.69 0.87 -0.40 0.93 -1.16 0.00 0.00 179.01 178.55 2ctj h GLU 85 N -0.57 -0.21 -0.83 2.33 4.39 0.23 -0.39 114.58 119.53 2ctj h GLU 85 Ca -0.02 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.76 2ctj h GLU 85 Cb 0.92 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.56 2ctj h GLU 85 CO 0.03 -0.14 0.50 0.87 -1.16 0.00 0.00 179.01 179.11 2ctj h LYS 86 N -0.22 0.87 -4.94 2.33 6.56 -1.31 -3.43 116.57 116.43 2ctj h LYS 86 Ca 0.07 -0.05 -0.71 0.00 -1.06 0.00 0.00 60.65 58.89 2ctj h LYS 86 Cb 0.40 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 2ctj h LYS 86 CO -0.48 0.58 0.65 0.94 -2.06 0.00 0.00 179.45 179.07 2ctj n GLN 87 N -4.67 0.00 0.01 3.15 7.27 -0.16 -4.82 117.38 118.16 2ctj n GLN 87 Ca 0.12 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 57.07 2ctj n GLN 87 Cb 0.20 -1.24 -0.07 0.00 2.41 0.00 0.00 30.24 31.54 2ctj n GLN 87 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 2ctj h THR 88 N 4.37 1.11 -4.26 1.69 1.35 -1.84 -3.44 112.91 111.90 2ctj h THR 88 Ca -0.32 -0.32 -0.52 0.00 -0.55 0.00 0.00 66.41 64.70 2ctj h THR 88 Cb 1.13 1.25 0.14 0.00 -1.73 0.00 0.00 68.15 68.95 2ctj h THR 88 CO 0.82 0.09 0.32 -0.75 -0.25 0.00 0.00 175.52 175.75 2ctj s LYS 89 N -5.68 2.11 -0.02 4.72 2.47 -1.26 -5.00 119.74 117.07 2ctj s LYS 89 Ca -0.14 1.39 -0.09 0.00 -1.56 0.00 0.00 55.97 55.57 2ctj s LYS 89 Cb 0.05 -1.86 -0.05 0.00 -1.46 0.00 0.00 37.83 34.51 2ctj s LYS 89 CO 0.67 -1.79 0.53 0.77 0.16 0.00 0.00 175.35 175.70 2ctj h SER 90 N -0.89 -0.29 0.00 1.43 0.02 -1.97 -3.51 113.55 108.35 2ctj h SER 90 Ca -0.45 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2ctj h SER 90 Cb 1.25 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2ctj h SER 90 CO 0.50 -0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.78 2ctj n GLY 91 N 0.57 2.68 0.00 -3.77 0.00 -1.26 -4.86 105.19 98.56 2ctj n GLY 91 Ca -0.04 -1.33 0.08 0.00 0.00 0.00 0.00 46.02 44.72 2ctj n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctj n PRO 92 N 1.66 0.41 -1.25 1.61 -0.04 -1.26 -4.87 135.00 131.26 2ctj n PRO 92 Ca 0.00 0.04 -0.38 0.00 -0.04 0.00 0.00 63.50 63.12 2ctj n PRO 92 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 2ctj n PRO 92 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ctj n SER 93 N -1.08 -3.21 0.07 3.54 7.64 -1.26 -4.92 113.62 114.39 2ctj n SER 93 Ca 0.10 0.60 -0.08 0.00 1.01 0.00 0.00 58.87 60.50 2ctj n SER 93 Cb 0.07 -0.94 -0.05 0.00 -1.01 0.00 0.00 64.21 62.28 2ctj n SER 93 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2ctj h SER 94 N -0.15 -0.23 0.00 6.43 0.87 -2.02 -3.55 113.55 114.91 2ctj h SER 94 Ca -0.43 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 2ctj h SER 94 Cb 1.41 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2ctj h SER 94 CO 0.40 0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.62