#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 4.82 -0.17 1.61 0.15 -1.26 -5.03 113.70 113.82 2ctj s SER 2 Ca 0.00 -0.02 -0.16 0.00 0.70 0.00 0.00 55.95 56.47 2ctj s SER 2 Cb 0.00 -1.45 -0.12 0.00 -1.71 0.00 0.00 66.02 62.74 2ctj s SER 2 CO 0.00 0.30 0.08 -1.28 1.20 0.00 0.00 173.24 173.54 2ctj h SER 3 N 5.74 0.00 0.00 5.45 0.87 -2.15 -3.51 113.55 119.95 2ctj h SER 3 Ca -0.43 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 59.83 2ctj h SER 3 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2ctj h SER 3 CO 0.56 1.10 0.00 0.61 -0.53 0.00 0.00 176.83 178.57 2ctj n GLY 4 N 1.54 3.59 3.91 5.77 0.00 -1.26 -5.14 105.19 113.61 2ctj n GLY 4 Ca -0.18 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 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 6.46 -0.01 1.61 0.15 -1.26 -5.10 113.70 115.55 2ctj s SER 5 Ca 0.00 0.58 -0.28 0.00 0.70 0.00 0.00 55.95 56.94 2ctj s SER 5 Cb 0.00 -2.08 0.10 0.00 -1.71 0.00 0.00 66.02 62.32 2ctj s SER 5 CO 0.00 -0.04 0.85 -0.55 1.20 0.00 0.00 173.24 174.70 2ctj s SER 6 N -2.81 -0.42 0.00 5.45 0.15 -1.26 -5.15 113.70 109.66 2ctj s SER 6 Ca 0.41 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.18 2ctj s SER 6 Cb -0.11 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2ctj s SER 6 CO 0.27 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2ctj n GLY 7 N -0.02 0.34 3.93 9.45 0.00 -1.26 -5.11 105.19 112.53 2ctj n GLY 7 Ca -0.11 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.65 2ctj n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctj s SER 8 N -4.00 5.95 -0.70 1.61 1.04 -1.26 -5.04 113.70 111.31 2ctj s SER 8 Ca 0.00 0.55 -0.18 0.00 0.48 0.00 0.00 55.95 56.80 2ctj s SER 8 Cb 0.00 -1.81 0.13 0.00 0.10 0.00 0.00 66.02 64.43 2ctj s SER 8 CO 0.00 -0.69 0.81 -0.63 0.98 0.00 0.00 173.24 173.72 2ctj s ILE 9 N -2.65 4.90 0.01 -1.02 -1.09 -1.26 -5.00 121.20 115.09 2ctj s ILE 9 Ca 0.48 -1.32 -0.15 0.00 -2.23 0.00 0.00 60.65 57.44 2ctj s ILE 9 Cb -0.10 -4.56 0.02 0.00 -1.58 0.00 0.00 42.46 36.25 2ctj s ILE 9 CO 0.41 -1.20 0.31 -1.10 -1.23 0.00 0.00 174.94 172.12 2ctj s GLN 10 N 2.35 0.73 -0.39 2.79 -0.21 -1.26 -5.13 119.66 118.54 2ctj s GLN 10 Ca 0.17 -0.31 -0.06 0.00 0.02 0.00 0.00 55.36 55.18 2ctj s GLN 10 Cb -0.18 0.32 0.08 0.00 1.00 0.00 0.00 33.01 34.24 2ctj s GLN 10 CO 0.01 -0.22 0.19 0.21 -2.12 0.00 0.00 175.29 173.36 2ctj s LYS 11 N -1.82 2.36 0.15 2.91 2.36 -1.26 -5.04 119.74 119.41 2ctj s LYS 11 Ca -0.10 -1.55 -0.22 0.00 -2.55 0.00 0.00 55.97 51.56 2ctj s LYS 11 Cb -0.03 -3.59 0.08 0.00 -1.05 0.00 0.00 37.83 33.23 2ctj s LYS 11 CO 0.01 -0.93 1.03 -0.40 1.55 0.00 0.00 175.35 176.61 2ctj n ASP 12 N 4.75 -1.62 -3.94 1.43 5.68 -1.26 -5.16 116.55 116.44 2ctj n ASP 12 Ca -0.08 -1.80 -0.28 0.00 -0.50 0.00 0.00 54.79 52.13 2ctj n ASP 12 Cb 0.42 2.62 -0.17 0.00 -1.14 0.00 0.00 41.12 42.85 2ctj n ASP 12 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2ctj s LEU 13 N 0.00 1.33 -0.30 -2.12 1.43 -1.26 -5.10 118.68 112.67 2ctj s LEU 13 Ca 0.23 -0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 52.81 2ctj s LEU 13 Cb -0.02 -0.94 0.18 0.00 0.03 0.00 0.00 46.19 45.43 2ctj s LEU 13 CO 0.05 -0.10 1.12 0.00 0.23 0.00 0.00 176.35 177.64 2ctj s ALA 14 N 1.64 -2.74 0.04 4.21 0.00 -1.26 -5.05 121.76 118.60 2ctj s ALA 14 Ca 0.05 2.01 -0.19 0.00 0.00 0.00 0.00 51.96 53.83 2ctj s ALA 14 Cb -0.13 -2.02 -0.16 0.00 0.00 0.00 0.00 23.12 20.81 2ctj s ALA 14 CO -0.09 -0.67 1.26 -0.91 0.00 0.00 0.00 175.76 175.35 2ctj h ASN 15 N 6.53 0.55 -2.72 0.00 2.35 -2.00 -3.46 115.58 116.84 2ctj h ASN 15 Ca -0.20 -0.60 -0.56 0.00 -0.55 0.00 0.00 56.30 54.39 2ctj h ASN 15 Cb 1.15 -0.16 0.21 0.00 0.05 0.00 0.00 38.32 39.56 2ctj h ASN 15 CO 0.14 1.05 -0.96 -0.38 -1.65 0.00 0.00 177.43 175.63 2ctj n ILE 16 N -4.33 0.65 -3.92 2.81 2.08 -1.26 -4.83 119.36 110.55 2ctj n ILE 16 Ca -0.07 -0.40 -0.30 0.00 0.56 0.00 0.00 62.75 62.54 2ctj n ILE 16 Cb 0.52 -0.39 -0.16 0.00 -0.75 0.00 0.00 39.64 38.86 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 -2.04 1.79 -0.42 -1.39 0.00 0.10 -4.95 121.76 114.86 2ctj s ALA 17 Ca 0.55 -1.17 -0.20 0.00 0.00 0.00 0.00 51.96 51.15 2ctj s ALA 17 Cb -0.30 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.52 2ctj s ALA 17 CO 0.68 -1.04 0.61 -2.00 0.00 0.00 0.00 175.76 174.02 2ctj s GLU 18 N 1.48 3.34 -0.22 0.00 2.12 -1.26 -3.50 118.70 120.66 2ctj s GLU 18 Ca -0.03 -0.34 0.02 0.00 0.36 0.00 0.00 54.97 54.98 2ctj s GLU 18 Cb -0.17 -3.92 0.05 0.00 0.26 0.00 0.00 34.13 30.34 2ctj s GLU 18 CO -0.07 -0.93 -0.11 0.08 -0.54 0.00 0.00 175.26 173.69 2ctj s VAL 19 N 2.71 1.88 0.06 3.70 1.01 -0.92 -4.96 120.40 123.87 2ctj s VAL 19 Ca 0.22 -1.25 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 2ctj s VAL 19 Cb -0.15 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 2ctj s VAL 19 CO 0.18 0.12 0.27 -1.83 0.00 0.00 0.00 175.10 173.83 2ctj s GLU 20 N 1.27 3.53 0.24 2.72 1.03 -1.26 -1.98 118.70 124.26 2ctj s GLU 20 Ca -0.04 -0.22 0.06 0.00 0.03 0.00 0.00 54.97 54.80 2ctj s GLU 20 Cb -0.17 -3.01 -0.05 0.00 -0.80 0.00 0.00 34.13 30.09 2ctj s GLU 20 CO -0.07 0.59 -0.06 0.54 -1.33 0.00 0.00 175.26 174.93 2ctj s VAL 21 N -1.46 1.47 -0.28 1.83 0.11 0.40 -4.95 120.40 117.51 2ctj s VAL 21 Ca 0.33 -2.11 -0.16 0.00 -2.93 0.00 0.00 61.98 57.11 2ctj s VAL 21 Cb -0.13 -2.31 -0.03 0.00 -1.53 0.00 0.00 36.38 32.39 2ctj s VAL 21 CO 0.22 -0.39 0.42 -0.55 -3.33 0.00 0.00 175.10 171.47 2ctj s SER 22 N -3.36 6.30 -0.19 3.54 0.15 -1.26 -1.42 113.70 117.45 2ctj s SER 22 Ca 0.27 0.27 -0.16 0.00 0.70 0.00 0.00 55.95 57.03 2ctj s SER 22 Cb 0.03 -2.23 0.05 0.00 -1.71 0.00 0.00 66.02 62.16 2ctj s SER 22 CO 0.09 -0.25 0.49 -0.63 1.20 0.00 0.00 173.24 174.14 2ctj s ILE 23 N 2.16 -0.00 0.53 6.45 1.01 -0.13 -4.97 121.20 126.25 2ctj s ILE 23 Ca 0.17 0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 2ctj s ILE 23 Cb -0.16 -0.69 -0.06 0.00 0.01 0.00 0.00 42.46 41.56 2ctj s ILE 23 CO 0.10 0.00 1.13 -2.16 0.00 0.00 0.00 174.94 174.02 2ctj s PRO 24 N 0.44 3.41 0.26 2.79 0.04 -1.26 -3.94 135.00 136.73 2ctj s PRO 24 Ca -0.01 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 2ctj s PRO 24 Cb -0.04 -2.05 0.34 0.00 0.04 0.00 0.00 34.50 32.79 2ctj s PRO 24 CO -0.02 -0.81 1.74 0.00 0.04 0.00 0.00 177.00 177.95 2ctj h ALA 25 N 1.30 1.08 -0.50 8.56 0.00 -1.84 -2.52 119.26 125.34 2ctj h ALA 25 Ca -0.50 -0.29 0.14 0.00 0.00 0.00 0.00 54.91 54.26 2ctj h ALA 25 Cb 1.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2ctj h ALA 25 CO 0.57 0.57 0.36 1.57 0.00 0.00 0.00 179.25 182.32 2ctj h LYS 26 N 0.65 0.03 0.18 0.00 2.10 -1.96 -1.61 116.57 115.95 2ctj h LYS 26 Ca 0.12 -0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.44 2ctj h LYS 26 Cb 0.54 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.87 2ctj h LYS 26 CO 0.03 0.02 -1.58 -0.07 -2.00 0.00 0.00 179.45 175.85 2ctj h LEU 27 N 0.03 0.60 -0.61 7.07 3.38 -1.84 -3.38 115.31 120.56 2ctj h LEU 27 Ca 0.24 -0.92 0.05 0.00 0.09 0.00 0.00 57.88 57.34 2ctj h LEU 27 Cb 0.92 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 2ctj h LEU 27 CO -0.01 1.72 -0.36 1.41 0.09 0.00 0.00 178.44 181.29 2ctj n HIS 28 N -3.72 -0.27 -0.40 1.13 8.25 -0.61 -0.31 115.22 119.29 2ctj n HIS 28 Ca -0.23 0.76 -0.07 0.00 -0.26 0.00 0.00 57.72 57.92 2ctj n HIS 28 Cb 1.03 -0.53 -0.04 0.00 1.12 0.00 0.00 29.99 31.57 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 -1.85 0.52 0.41 4.21 -1.73 0.19 115.58 117.33 2ctj h ASN 29 Ca 0.10 0.32 -0.02 0.00 1.21 0.00 0.00 56.30 57.91 2ctj h ASN 29 Cb 0.25 0.87 -0.01 0.00 -1.12 0.00 0.00 38.32 38.31 2ctj h ASN 29 CO -0.57 -0.26 -0.42 0.28 -1.29 0.00 0.00 177.43 175.17 2ctj h SER 30 N -0.01 -1.12 -0.81 5.81 0.02 -0.86 -1.36 113.55 115.23 2ctj h SER 30 Ca 0.24 0.08 0.13 0.00 -0.84 0.00 0.00 61.79 61.40 2ctj h SER 30 Cb 0.49 0.35 -0.14 0.00 0.14 0.00 0.00 62.40 63.25 2ctj h SER 30 CO -0.96 -0.59 -0.36 -0.07 -1.14 0.00 0.00 176.83 173.71 2ctj h LEU 31 N -0.91 -1.31 -0.32 5.07 3.38 0.05 0.11 115.31 121.37 2ctj h LEU 31 Ca -0.07 0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.24 2ctj h LEU 31 Cb 0.76 0.68 -0.06 0.00 0.09 0.00 0.00 40.66 42.13 2ctj h LEU 31 CO 0.00 -0.30 -0.09 0.40 0.09 0.00 0.00 178.44 178.55 2ctj h ILE 32 N -0.07 0.65 0.00 1.22 2.04 -0.50 -3.32 117.51 117.53 2ctj h ILE 32 Ca 0.30 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.16 2ctj h ILE 32 Cb 0.58 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2ctj h ILE 32 CO -0.85 0.00 0.00 0.61 0.00 0.00 0.00 178.15 177.91 2ctj n GLY 33 N -1.28 0.60 0.14 5.37 0.00 0.37 -2.64 105.19 107.75 2ctj n GLY 33 Ca 0.01 -2.18 -0.10 0.00 0.00 0.00 0.00 46.02 43.75 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 0.73 -0.85 2.61 1.03 -1.86 -3.25 112.91 111.33 2ctj h THR 34 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 66.41 65.96 2ctj h THR 34 Cb 0.00 0.73 -0.42 0.00 -1.07 0.00 0.00 68.15 67.40 2ctj h THR 34 CO 0.00 0.00 -0.94 0.29 -0.01 0.00 0.00 175.52 174.86 2ctj n LYS 35 N -5.23 2.68 -1.08 0.00 4.76 -1.26 -4.92 118.16 113.11 2ctj n LYS 35 Ca -0.04 -3.91 -0.03 0.00 -2.87 0.00 0.00 58.31 51.46 2ctj n LYS 35 Cb 0.15 -1.93 -0.01 0.00 -1.84 0.00 0.00 35.03 31.40 2ctj n LYS 35 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ctj n GLY 36 N -0.54 0.25 0.20 0.72 0.00 -1.22 -4.84 105.19 99.76 2ctj n GLY 36 Ca 0.27 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 2ctj n GLY 36 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ctj h ARG 37 N 0.00 -0.40 -0.80 1.61 2.43 -1.86 0.32 114.38 115.68 2ctj h ARG 37 Ca -0.05 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.30 2ctj h ARG 37 Cb 1.05 0.09 -0.15 0.00 -0.42 0.00 0.00 29.97 30.54 2ctj h ARG 37 CO 0.08 -0.12 -0.21 1.25 -1.51 0.00 0.00 179.97 179.46 2ctj h LEU 38 N -0.66 -0.79 -0.04 3.80 7.12 -1.81 0.49 115.31 123.42 2ctj h LEU 38 Ca -0.04 0.24 -0.05 0.00 0.13 0.00 0.00 57.88 58.16 2ctj h LEU 38 Cb 0.47 0.51 0.00 0.00 -0.53 0.00 0.00 40.66 41.11 2ctj h LEU 38 CO 0.07 -0.27 -0.19 0.40 -0.13 0.00 0.00 178.44 178.32 2ctj h ILE 39 N -0.01 1.47 -1.25 4.05 1.08 -1.47 -3.17 117.51 118.22 2ctj h ILE 39 Ca 0.38 -1.68 0.36 0.00 -0.39 0.00 0.00 64.86 63.53 2ctj h ILE 39 Cb 0.59 2.46 -0.06 0.00 -3.07 0.00 0.00 36.82 36.74 2ctj h ILE 39 CO -0.83 0.46 0.88 0.03 -0.69 0.00 0.00 178.15 178.00 2ctj h ARG 40 N -0.38 0.07 -0.16 2.37 3.08 0.95 0.39 114.38 120.70 2ctj h ARG 40 Ca -0.01 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 2ctj h ARG 40 Cb 0.86 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2ctj h ARG 40 CO 0.04 0.04 -0.41 0.66 -1.07 0.00 0.00 179.97 179.23 2ctj h SER 41 N 0.07 0.64 -0.76 7.04 4.64 -0.94 -2.36 113.55 121.88 2ctj h SER 41 Ca 0.62 -0.58 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2ctj h SER 41 Cb 2.31 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 64.18 2ctj h SER 41 CO -0.08 1.10 0.29 0.40 -0.87 0.00 0.00 176.83 177.68 2ctj h ILE 42 N 0.20 1.26 -0.04 0.95 2.04 -0.29 0.41 117.51 122.04 2ctj h ILE 42 Ca -0.01 -0.83 -0.10 0.00 1.00 0.00 0.00 64.86 64.92 2ctj h ILE 42 Cb 1.02 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2ctj h ILE 42 CO 0.09 0.34 -0.44 0.24 0.00 0.00 0.00 178.15 178.38 2ctj h MET 43 N 1.12 0.10 0.08 2.37 2.86 -1.26 -0.83 114.93 119.37 2ctj h MET 43 Ca 0.25 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2ctj h MET 43 Cb 0.23 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2ctj h MET 43 CO -0.02 0.52 -0.04 1.49 1.06 0.00 0.00 176.91 179.92 2ctj h GLU 44 N 0.08 -0.11 -0.86 1.72 4.57 -0.92 0.20 114.58 119.26 2ctj h GLU 44 Ca 0.00 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2ctj h GLU 44 Cb 0.81 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.38 2ctj h GLU 44 CO 0.06 0.35 0.57 1.05 -1.18 0.00 0.00 179.01 179.86 2ctj h GLU 45 N -0.95 1.10 0.95 1.92 4.11 -0.98 -3.04 114.58 117.70 2ctj h GLU 45 Ca -0.01 -0.07 -0.05 0.00 0.07 0.00 0.00 59.36 59.31 2ctj h GLU 45 Cb 0.51 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.52 2ctj h GLU 45 CO 0.02 0.73 -0.47 0.00 0.07 0.00 0.00 179.01 179.36 2ctj n GLY 47 N -1.64 0.19 0.00 0.00 0.00 -1.10 -4.93 105.19 97.71 2ctj n GLY 47 Ca -0.16 0.00 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 0.44 3.81 -0.02 0.00 0.67 -4.94 105.19 105.15 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 -0.44 3.96 -0.29 1.61 -7.23 -1.23 -4.94 120.40 111.84 2ctj s VAL 49 Ca 0.00 1.14 -0.06 0.00 -1.81 0.00 0.00 61.98 61.25 2ctj s VAL 49 Cb 0.00 -3.49 0.01 0.00 0.56 0.00 0.00 36.38 33.47 2ctj s VAL 49 CO 0.00 -0.34 0.07 -1.00 -0.31 0.00 0.00 175.10 173.52 2ctj s HIS 50 N -2.15 3.15 0.20 2.82 0.09 0.65 -4.75 115.29 115.31 2ctj s HIS 50 Ca 0.65 -1.10 -0.10 0.00 -0.00 0.00 0.00 55.06 54.51 2ctj s HIS 50 Cb -0.14 -2.23 -0.07 0.00 -0.00 0.00 0.00 32.58 30.13 2ctj s HIS 50 CO 0.23 -0.61 0.53 0.42 -0.00 0.00 0.00 174.74 175.30 2ctj s ILE 51 N 1.47 4.94 -0.22 0.60 1.01 -1.26 0.48 121.20 128.22 2ctj s ILE 51 Ca 0.02 0.50 -0.06 0.00 0.00 0.00 0.00 60.65 61.10 2ctj s ILE 51 Cb -0.17 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 2ctj s ILE 51 CO 0.02 0.01 0.04 -1.00 0.00 0.00 0.00 174.94 174.00 2ctj s HIS 52 N -1.73 3.08 -0.32 3.97 3.76 0.52 -4.94 115.29 119.63 2ctj s HIS 52 Ca 0.45 -0.41 -0.00 0.00 -0.15 0.00 0.00 55.06 54.95 2ctj s HIS 52 Cb -0.12 -2.16 0.10 0.00 1.11 0.00 0.00 32.58 31.51 2ctj s HIS 52 CO 0.21 -0.27 0.11 -0.06 -0.85 0.00 0.00 174.74 173.87 2ctj s PHE 53 N 1.27 1.91 0.27 1.40 0.08 -1.26 -3.15 117.98 118.49 2ctj s PHE 53 Ca 0.04 -1.91 -0.29 0.00 0.12 0.00 0.00 56.93 54.89 2ctj s PHE 53 Cb -0.15 -1.83 -0.10 0.00 -0.57 0.00 0.00 43.02 40.38 2ctj s PHE 53 CO 0.02 -0.88 1.25 -1.25 -0.10 0.00 0.00 175.22 174.27 2ctj s PRO 54 N 1.44 4.44 0.22 0.24 0.04 -1.26 -4.95 135.00 135.16 2ctj s PRO 54 Ca 0.11 2.05 -0.32 0.00 0.04 0.00 0.00 61.00 62.88 2ctj s PRO 54 Cb -0.18 -3.14 -0.13 0.00 0.04 0.00 0.00 34.50 31.08 2ctj s PRO 54 CO -0.21 -0.10 1.53 0.28 0.04 0.00 0.00 177.00 178.53 2ctj n VAL 55 N 1.50 0.52 -0.29 -0.36 0.31 -1.26 -4.83 118.33 113.92 2ctj n VAL 55 Ca 0.02 -0.13 0.08 0.00 -0.01 0.00 0.00 64.34 64.29 2ctj n VAL 55 Cb 0.43 -1.62 0.16 0.00 -0.91 0.00 0.00 33.84 31.90 2ctj n VAL 55 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2ctj n GLU 56 N 2.75 -0.07 -0.36 5.55 -0.00 -1.26 0.29 120.64 127.53 2ctj n GLU 56 Ca 0.14 1.25 0.03 0.00 -0.00 0.00 0.00 57.16 58.58 2ctj n GLU 56 Cb 0.32 -1.92 0.10 0.00 -0.00 0.00 0.00 31.44 29.94 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 0.47 1.25 -1.84 0.00 -1.99 1.34 103.07 102.29 2ctj h GLY 57 Ca 0.43 0.39 0.09 0.00 0.00 0.00 0.00 47.33 48.24 2ctj h GLY 57 CO -0.81 -0.31 0.30 1.48 0.00 0.00 0.00 176.54 177.20 2ctj h SER 58 N -0.01 0.19 0.00 0.19 4.64 -0.51 -3.45 113.55 114.61 2ctj h SER 58 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2ctj h SER 58 Cb 0.67 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2ctj h SER 58 CO -0.99 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 175.70 2ctj n GLY 59 N -1.56 2.72 3.66 -0.77 0.00 0.46 -4.97 105.19 104.74 2ctj n GLY 59 Ca 0.07 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.56 2ctj n GLY 59 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ctj n SER 60 N 0.00 2.81 -2.05 1.61 2.88 -1.26 -4.71 113.62 112.89 2ctj n SER 60 Ca 0.00 0.93 -0.26 0.00 -1.33 0.00 0.00 58.87 58.21 2ctj n SER 60 Cb 0.00 -1.26 0.10 0.00 -0.75 0.00 0.00 64.21 62.30 2ctj n SER 60 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2ctj n ASP 61 N 6.61 5.63 -3.95 -3.46 5.68 -1.26 -4.57 116.55 121.23 2ctj n ASP 61 Ca 0.27 -3.76 -0.30 0.00 -0.50 0.00 0.00 54.79 50.50 2ctj n ASP 61 Cb 0.21 -0.74 -0.16 0.00 -1.14 0.00 0.00 41.12 39.30 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 -4.32 1.58 -0.36 2.12 2.01 -1.25 -0.95 115.64 114.46 2ctj s THR 62 Ca 0.57 -1.24 -0.21 0.00 0.31 0.00 0.00 61.69 61.12 2ctj s THR 62 Cb 0.46 -1.83 0.01 0.00 0.01 0.00 0.00 72.50 71.15 2ctj s THR 62 CO 0.02 -0.08 0.66 -0.69 -0.69 0.00 0.00 174.62 173.84 2ctj s VAL 63 N 1.37 4.86 -0.24 3.82 1.01 -0.51 -4.78 120.40 125.94 2ctj s VAL 63 Ca -0.06 0.59 -0.11 0.00 0.00 0.00 0.00 61.98 62.40 2ctj s VAL 63 Cb -0.19 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 2ctj s VAL 63 CO -0.06 -0.35 0.17 -0.69 0.00 0.00 0.00 175.10 174.17 2ctj s VAL 64 N 2.77 5.35 -0.03 2.92 1.01 -1.19 -0.45 120.40 130.77 2ctj s VAL 64 Ca 0.25 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2ctj s VAL 64 Cb -0.14 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2ctj s VAL 64 CO 0.15 0.33 0.00 -0.63 0.00 0.00 0.00 175.10 174.95 2ctj s ILE 65 N 1.16 4.21 0.00 2.22 1.01 -0.84 0.20 121.20 129.16 2ctj s ILE 65 Ca 0.08 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.33 2ctj s ILE 65 Cb -0.14 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 2ctj s ILE 65 CO 0.05 0.47 -0.22 -0.13 0.00 0.00 0.00 174.94 175.11 2ctj s ARG 66 N -1.30 1.70 0.00 2.79 0.52 0.18 -2.16 118.95 120.69 2ctj s ARG 66 Ca 0.17 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.53 2ctj s ARG 66 Cb -0.11 -1.71 0.00 0.00 0.52 0.00 0.00 34.95 33.65 2ctj s ARG 66 CO 0.07 0.46 0.00 0.41 0.02 0.00 0.00 175.30 176.26 2ctj n GLY 67 N 2.31 0.98 3.66 -3.53 0.00 -1.23 -0.25 105.19 107.14 2ctj n GLY 67 Ca -0.16 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.92 4.21 0.16 1.61 0.04 -1.26 0.03 135.00 137.86 2ctj s PRO 68 Ca 0.00 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 2ctj s PRO 68 Cb 0.00 -3.85 -0.06 0.00 0.04 0.00 0.00 34.50 30.63 2ctj s PRO 68 CO 0.00 -0.76 1.54 1.03 0.04 0.00 0.00 177.00 178.85 2ctj h SER 69 N 8.87 -2.05 -1.18 6.66 0.87 -1.88 0.70 113.55 125.54 2ctj h SER 69 Ca -0.35 0.31 0.40 0.00 -1.23 0.00 0.00 61.79 60.91 2ctj h SER 69 Cb 1.16 0.90 -0.10 0.00 -0.44 0.00 0.00 62.40 63.91 2ctj h SER 69 CO 0.95 -0.27 0.78 -0.24 -0.53 0.00 0.00 176.83 177.51 2ctj n SER 70 N -5.29 0.14 -0.06 6.23 2.88 -1.26 0.23 113.62 116.49 2ctj n SER 70 Ca 0.01 1.06 -0.12 0.00 -1.33 0.00 0.00 58.87 58.49 2ctj n SER 70 Cb 0.29 -0.52 -0.14 0.00 -0.75 0.00 0.00 64.21 63.08 2ctj n SER 70 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2ctj n ASP 71 N -4.18 0.87 -0.16 -3.46 9.92 0.21 -4.25 116.55 115.49 2ctj n ASP 71 Ca 0.33 0.17 -0.01 0.00 -0.53 0.00 0.00 54.79 54.75 2ctj n ASP 71 Cb 1.31 0.17 0.24 0.00 -0.64 0.00 0.00 41.12 42.20 2ctj n ASP 71 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2ctj h VAL 72 N 0.01 1.20 -0.81 2.53 2.07 0.66 -2.00 116.25 119.91 2ctj h VAL 72 Ca -0.44 -0.54 0.08 0.00 0.82 0.00 0.00 66.70 66.62 2ctj h VAL 72 Cb 2.09 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 32.18 2ctj h VAL 72 CO 0.04 0.23 0.48 1.05 0.02 0.00 0.00 177.57 179.39 2ctj h GLU 73 N 0.88 0.81 0.25 1.57 4.11 -0.80 -0.89 114.58 120.51 2ctj h GLU 73 Ca 0.22 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.59 2ctj h GLU 73 Cb 0.07 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2ctj h GLU 73 CO -0.03 0.54 -0.12 0.87 0.07 0.00 0.00 179.01 180.34 2ctj h LYS 74 N 0.84 -0.32 -1.10 1.06 1.57 -1.65 -2.86 116.57 114.10 2ctj h LYS 74 Ca 0.38 0.02 0.32 0.00 -1.87 0.00 0.00 60.65 59.50 2ctj h LYS 74 Cb 0.27 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2ctj h LYS 74 CO -0.21 0.03 0.81 0.00 -0.57 0.00 0.00 179.45 179.50 2ctj h ALA 75 N -0.51 3.04 0.20 3.86 0.00 -1.22 -0.07 119.26 124.56 2ctj h ALA 75 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2ctj h ALA 75 Cb 0.50 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2ctj h ALA 75 CO 0.06 -1.38 -0.10 -0.22 0.00 0.00 0.00 179.25 177.61 2ctj h LYS 76 N 0.00 -0.26 -0.33 0.00 3.64 -1.13 -2.38 116.57 116.10 2ctj h LYS 76 Ca 0.52 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.98 2ctj h LYS 76 Cb 2.13 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 34.00 2ctj h LYS 76 CO -0.01 0.12 0.23 1.57 -2.27 0.00 0.00 179.45 179.10 2ctj h LYS 77 N -0.87 0.21 -0.16 1.90 2.10 -0.90 -0.35 116.57 118.51 2ctj h LYS 77 Ca -0.03 -0.01 -0.16 0.00 -2.00 0.00 0.00 60.65 58.45 2ctj h LYS 77 Cb 0.51 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 2ctj h LYS 77 CO 0.05 0.14 -0.57 1.96 -2.00 0.00 0.00 179.45 179.03 2ctj h GLN 78 N 0.22 0.48 -0.09 0.07 4.20 -1.09 -2.23 115.11 116.67 2ctj h GLN 78 Ca 0.15 -0.31 -0.17 0.00 0.06 0.00 0.00 58.65 58.38 2ctj h GLN 78 Cb 0.32 0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.14 2ctj h GLN 78 CO -0.03 0.92 -0.59 1.25 -0.67 0.00 0.00 178.83 179.71 2ctj h LEU 79 N 0.37 0.68 -0.98 1.46 5.85 -0.64 -2.60 115.31 119.45 2ctj h LEU 79 Ca 0.00 -0.66 -0.04 0.00 0.84 0.00 0.00 57.88 58.02 2ctj h LEU 79 Cb 1.10 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 2ctj h LEU 79 CO 0.10 1.23 0.27 -0.07 -0.34 0.00 0.00 178.44 179.64 2ctj h LEU 80 N 0.17 0.92 0.39 2.25 4.07 -1.14 0.20 115.31 122.18 2ctj h LEU 80 Ca -0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 57.88 57.76 2ctj h LEU 80 Cb 1.24 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.75 2ctj h LEU 80 CO 0.12 0.82 -0.19 -0.74 -1.08 0.00 0.00 178.44 177.37 2ctj h HIS 81 N 0.99 -0.49 0.34 1.13 2.76 -1.42 -3.18 115.15 115.27 2ctj h HIS 81 Ca 0.23 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 2ctj h HIS 81 Cb 0.19 0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.31 2ctj h HIS 81 CO 0.02 -0.17 -0.16 -0.07 -1.30 0.00 0.00 177.93 176.24 2ctj h LEU 82 N -0.82 -0.38 -0.70 0.26 3.38 -1.39 0.25 115.31 115.90 2ctj h LEU 82 Ca -0.05 -0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.03 2ctj h LEU 82 Cb 0.54 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.25 2ctj h LEU 82 CO 0.09 -0.20 -0.11 0.00 0.09 0.00 0.00 178.44 178.31 2ctj n ALA 83 N -2.33 0.24 0.01 1.53 0.00 0.71 -0.05 120.51 120.61 2ctj n ALA 83 Ca -0.10 0.77 -0.21 0.00 0.00 0.00 0.00 53.44 53.89 2ctj n ALA 83 Cb 0.22 -0.49 -0.14 0.00 0.00 0.00 0.00 19.45 19.04 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 0.23 -0.74 0.00 4.39 -1.50 -3.38 114.58 113.58 2ctj h GLU 84 Ca 0.37 -0.40 0.07 0.00 0.34 0.00 0.00 59.36 59.74 2ctj h GLU 84 Cb 0.64 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 29.35 2ctj h GLU 84 CO -0.70 1.19 -0.43 -1.91 -1.16 0.00 0.00 179.01 176.00 2ctj n GLU 85 N -3.99 -0.32 -0.28 2.33 0.00 0.93 0.73 120.64 120.03 2ctj n GLU 85 Ca -0.23 1.12 0.04 0.00 0.00 0.00 0.00 57.16 58.09 2ctj n GLU 85 Cb 0.87 -1.65 0.10 0.00 0.00 0.00 0.00 31.44 30.76 2ctj n GLU 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2ctj n LYS 86 N -4.93 -0.08 0.05 5.31 4.01 -0.78 0.93 118.16 122.66 2ctj n LYS 86 Ca 0.02 1.21 -0.11 0.00 -0.51 0.00 0.00 58.31 58.92 2ctj n LYS 86 Cb 0.20 -1.80 -0.04 0.00 -0.51 0.00 0.00 35.03 32.87 2ctj n LYS 86 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 2ctj h GLN 87 N 0.00 -0.24 -1.94 1.97 7.50 0.07 -2.38 115.11 120.10 2ctj h GLN 87 Ca 0.36 0.02 -0.23 0.00 0.50 0.00 0.00 58.65 59.30 2ctj h GLN 87 Cb 0.55 0.06 -0.08 0.00 0.05 0.00 0.00 27.48 28.06 2ctj h GLN 87 CO -0.80 -0.16 -0.03 -2.37 -1.50 0.00 0.00 178.83 173.97 2ctj n THR 88 N -5.29 2.80 -0.33 -0.54 5.66 0.26 -4.65 114.28 112.18 2ctj n THR 88 Ca -0.05 -1.58 0.32 0.00 -3.05 0.00 0.00 64.05 59.68 2ctj n THR 88 Cb 0.21 -1.71 0.57 0.00 -1.55 0.00 0.00 70.33 67.85 2ctj n THR 88 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2ctj n LYS 89 N 1.64 -0.05 -1.66 1.09 0.00 -0.90 -4.41 118.16 113.88 2ctj n LYS 89 Ca 0.32 1.23 -0.48 0.00 -0.00 0.00 0.00 58.31 59.38 2ctj n LYS 89 Cb 0.70 -2.27 -0.05 0.00 -0.00 0.00 0.00 35.03 33.41 2ctj n LYS 89 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2ctj n SER 90 N -4.92 2.78 0.00 -5.58 2.88 -1.26 -4.85 113.62 102.67 2ctj n SER 90 Ca 0.36 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.97 2ctj n SER 90 Cb 1.26 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 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 3.42 1.01 0.00 0.46 0.00 -1.26 -4.97 105.19 103.85 2ctj n GLY 91 Ca 0.19 -0.52 0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.49 -3.72 1.61 -0.04 -1.26 -4.42 135.00 127.65 2ctj n PRO 92 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2ctj n PRO 92 Cb 0.00 -1.37 -0.11 0.00 -0.04 0.00 0.00 33.50 31.98 2ctj n PRO 92 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ctj s SER 93 N -1.88 5.36 0.37 3.54 0.01 -1.26 -5.09 113.70 114.75 2ctj s SER 93 Ca 0.17 -1.97 -0.24 0.00 1.31 0.00 0.00 55.95 55.22 2ctj s SER 93 Cb 0.08 -1.87 -0.10 0.00 0.21 0.00 0.00 66.02 64.34 2ctj s SER 93 CO 0.13 -0.57 0.98 -0.44 0.41 0.00 0.00 173.24 173.75 2ctj s SER 94 N 2.01 7.07 0.00 2.44 0.01 -1.26 -4.94 113.70 119.03 2ctj s SER 94 Ca 0.07 1.88 0.16 0.00 1.31 0.00 0.00 55.95 59.37 2ctj s SER 94 Cb -0.23 -2.57 0.13 0.00 0.21 0.00 0.00 66.02 63.55 2ctj s SER 94 CO -0.03 -0.26 1.01 0.61 0.41 0.00 0.00 173.24 174.97