#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 2.35 -0.20 1.61 0.15 -1.26 -5.09 113.70 111.26 2ctj s SER 2 Ca 0.00 -0.39 -0.28 0.00 0.70 0.00 0.00 55.95 55.98 2ctj s SER 2 Cb 0.00 -0.87 -0.05 0.00 -1.71 0.00 0.00 66.02 63.39 2ctj s SER 2 CO 0.00 -0.13 2.16 -0.55 1.20 0.00 0.00 173.24 175.92 2ctj s SER 3 N 1.68 5.59 0.00 5.45 0.15 -1.26 -4.82 113.70 120.49 2ctj s SER 3 Ca 0.04 1.93 0.00 0.00 0.70 0.00 0.00 55.95 58.62 2ctj s SER 3 Cb -0.13 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2ctj s SER 3 CO -0.08 -1.84 0.00 0.61 1.20 0.00 0.00 173.24 173.12 2ctj n GLY 4 N 5.60 2.86 3.55 9.45 0.00 -1.26 -5.03 105.19 120.36 2ctj n GLY 4 Ca 0.28 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2ctj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctj s SER 5 N 1.00 5.76 0.33 1.61 0.01 -1.26 -4.92 113.70 116.23 2ctj s SER 5 Ca 0.00 -0.51 0.07 0.00 1.31 0.00 0.00 55.95 56.82 2ctj s SER 5 Cb 0.00 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 2ctj s SER 5 CO 0.00 -2.12 0.28 -0.44 0.41 0.00 0.00 173.24 171.37 2ctj s SER 6 N 6.18 1.61 -0.24 2.44 0.01 -1.26 -5.18 113.70 117.26 2ctj s SER 6 Ca 0.54 -1.74 -0.22 0.00 1.31 0.00 0.00 55.95 55.84 2ctj s SER 6 Cb -0.07 0.56 0.06 0.00 0.21 0.00 0.00 66.02 66.78 2ctj s SER 6 CO 0.07 -1.06 0.64 -0.83 0.41 0.00 0.00 173.24 172.47 2ctj s GLY 7 N -3.36 -0.49 -0.88 3.44 0.00 -1.26 -4.94 107.32 99.82 2ctj s GLY 7 Ca 0.40 1.85 -0.05 0.00 0.00 0.00 0.00 44.72 46.93 2ctj s GLY 7 CO 0.27 1.63 0.77 -1.26 0.00 0.00 0.00 173.10 174.50 2ctj n SER 8 N 2.88 -4.29 -4.75 1.64 2.88 -1.26 -4.94 113.62 105.78 2ctj n SER 8 Ca -0.14 -0.37 -0.42 0.00 -1.33 0.00 0.00 58.87 56.61 2ctj n SER 8 Cb 0.56 -3.54 -0.01 0.00 -0.75 0.00 0.00 64.21 60.46 2ctj n SER 8 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2ctj n ILE 9 N -3.94 1.31 -0.09 2.46 5.41 -1.26 -4.95 119.36 118.30 2ctj n ILE 9 Ca -0.04 -0.33 -0.15 0.00 1.00 0.00 0.00 62.75 63.24 2ctj n ILE 9 Cb 0.56 -1.93 -0.07 0.00 -0.71 0.00 0.00 39.64 37.49 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 1.64 0.52 -0.57 0.38 7.27 -1.26 -4.97 117.38 120.39 2ctj n GLN 10 Ca 0.07 0.51 -0.30 0.00 0.07 0.00 0.00 57.00 57.35 2ctj n GLN 10 Cb 0.37 -1.69 0.27 0.00 2.41 0.00 0.00 30.24 31.60 2ctj n GLN 10 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2ctj s LYS 11 N -2.36 -2.29 0.03 3.69 -0.14 -1.26 -5.08 119.74 112.33 2ctj s LYS 11 Ca -0.24 0.17 -0.20 0.00 -1.36 0.00 0.00 55.97 54.33 2ctj s LYS 11 Cb 0.05 -1.45 0.04 0.00 -1.68 0.00 0.00 37.83 34.79 2ctj s LYS 11 CO 0.42 -4.46 0.46 0.16 -0.76 0.00 0.00 175.35 171.17 2ctj s ASP 12 N -3.26 -0.36 -0.01 2.83 1.47 -1.26 -5.12 116.67 110.96 2ctj s ASP 12 Ca 0.69 0.14 -0.39 0.00 1.18 0.00 0.00 52.55 54.18 2ctj s ASP 12 Cb -0.14 0.44 -0.19 0.00 -0.34 0.00 0.00 42.92 42.69 2ctj s ASP 12 CO 0.58 -0.64 1.04 -0.11 0.68 0.00 0.00 175.17 176.72 2ctj n LEU 13 N 0.63 0.02 -4.92 2.11 -0.00 -1.26 -4.92 117.00 108.66 2ctj n LEU 13 Ca -0.19 1.11 -0.27 0.00 -0.00 0.00 0.00 56.01 56.67 2ctj n LEU 13 Cb 0.59 -0.88 0.02 0.00 -0.00 0.00 0.00 43.42 43.14 2ctj n LEU 13 CO 0.21 -1.81 0.47 0.00 -0.00 0.00 0.00 177.39 176.26 2ctj s ALA 14 N 0.07 3.39 -0.02 1.96 0.00 -1.26 -5.03 121.76 120.86 2ctj s ALA 14 Ca 0.88 -0.66 -0.22 0.00 0.00 0.00 0.00 51.96 51.96 2ctj s ALA 14 Cb -1.22 -2.55 -0.15 0.00 0.00 0.00 0.00 23.12 19.20 2ctj s ALA 14 CO 0.55 -0.58 0.99 -2.95 0.00 0.00 0.00 175.76 173.78 2ctj h ASN 15 N 0.05 -0.32 -0.77 0.00 -1.07 -2.00 -3.45 115.58 108.02 2ctj h ASN 15 Ca -0.46 -0.22 -0.54 0.00 0.07 0.00 0.00 56.30 55.16 2ctj h ASN 15 Cb 1.24 0.08 0.07 0.00 -2.07 0.00 0.00 38.32 37.64 2ctj h ASN 15 CO 0.61 0.14 -0.30 -0.38 0.07 0.00 0.00 177.43 177.57 2ctj n ILE 16 N -5.06 1.18 -3.75 6.14 2.08 -1.26 -4.88 119.36 113.81 2ctj n ILE 16 Ca -0.08 -0.29 -0.38 0.00 0.56 0.00 0.00 62.75 62.55 2ctj n ILE 16 Cb 0.26 0.00 -0.12 0.00 -0.75 0.00 0.00 39.64 39.03 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 -0.59 3.06 -0.44 -1.39 0.00 -0.45 -4.93 121.76 117.02 2ctj s ALA 17 Ca 0.54 -1.79 -0.26 0.00 0.00 0.00 0.00 51.96 50.45 2ctj s ALA 17 Cb -0.78 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.08 2ctj s ALA 17 CO 0.43 -1.37 0.94 -2.00 0.00 0.00 0.00 175.76 173.77 2ctj s GLU 18 N 1.39 3.63 -0.22 0.00 2.12 -1.26 -3.88 118.70 120.47 2ctj s GLU 18 Ca -0.01 0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.62 2ctj s GLU 18 Cb -0.20 -3.89 0.06 0.00 0.26 0.00 0.00 34.13 30.35 2ctj s GLU 18 CO 0.02 -1.17 -0.06 0.08 -0.54 0.00 0.00 175.26 173.60 2ctj s VAL 19 N 3.74 1.48 0.29 3.70 1.01 -0.30 -4.98 120.40 125.35 2ctj s VAL 19 Ca 0.38 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2ctj s VAL 19 Cb -0.10 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 2ctj s VAL 19 CO 0.25 -0.04 0.44 -1.83 0.00 0.00 0.00 175.10 173.92 2ctj s GLU 20 N 1.43 3.42 -0.01 2.72 4.04 -1.26 -1.57 118.70 127.46 2ctj s GLU 20 Ca -0.04 -0.62 -0.03 0.00 0.04 0.00 0.00 54.97 54.32 2ctj s GLU 20 Cb -0.18 -2.79 0.00 0.00 0.02 0.00 0.00 34.13 31.18 2ctj s GLU 20 CO -0.07 0.28 0.08 0.54 -1.84 0.00 0.00 175.26 174.25 2ctj s VAL 21 N -2.13 0.04 -0.17 1.83 0.11 0.66 -4.95 120.40 115.78 2ctj s VAL 21 Ca 0.37 -0.34 -0.27 0.00 -2.93 0.00 0.00 61.98 58.82 2ctj s VAL 21 Cb -0.09 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.52 2ctj s VAL 21 CO 0.32 -0.19 0.89 -0.55 -3.33 0.00 0.00 175.10 172.25 2ctj s SER 22 N -0.58 7.02 -0.20 3.54 0.15 -1.26 -0.22 113.70 122.15 2ctj s SER 22 Ca -0.07 1.26 -0.17 0.00 0.70 0.00 0.00 55.95 57.67 2ctj s SER 22 Cb -0.04 -2.48 0.05 0.00 -1.71 0.00 0.00 66.02 61.84 2ctj s SER 22 CO 0.00 -0.45 0.53 -0.63 1.20 0.00 0.00 173.24 173.89 2ctj s ILE 23 N 2.31 -0.00 0.23 6.45 1.01 0.36 -4.96 121.20 126.60 2ctj s ILE 23 Ca 0.41 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.77 2ctj s ILE 23 Cb -0.17 -0.74 -0.09 0.00 0.01 0.00 0.00 42.46 41.47 2ctj s ILE 23 CO 0.12 0.00 1.28 -2.16 0.00 0.00 0.00 174.94 174.19 2ctj s PRO 24 N 0.47 4.41 0.33 2.79 0.04 -1.26 -4.06 135.00 137.72 2ctj s PRO 24 Ca -0.02 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.15 2ctj s PRO 24 Cb -0.04 -3.17 0.79 0.00 0.04 0.00 0.00 34.50 32.11 2ctj s PRO 24 CO -0.02 -0.19 1.81 0.00 0.04 0.00 0.00 177.00 178.65 2ctj h ALA 25 N 4.85 1.78 -1.37 8.56 0.00 -1.92 0.08 119.26 131.23 2ctj h ALA 25 Ca -0.46 0.05 0.40 0.00 0.00 0.00 0.00 54.91 54.91 2ctj h ALA 25 Cb 1.22 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 2ctj h ALA 25 CO 0.74 -0.10 0.95 1.57 0.00 0.00 0.00 179.25 182.42 2ctj h LYS 26 N 0.72 0.08 0.10 0.00 2.10 -1.98 0.58 116.57 118.17 2ctj h LYS 26 Ca 0.53 -0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.86 2ctj h LYS 26 Cb 0.87 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.17 2ctj h LYS 26 CO -0.30 0.05 -1.67 -0.07 -2.00 0.00 0.00 179.45 175.46 2ctj h LEU 27 N 0.08 0.31 -0.94 7.07 3.38 -1.36 -3.36 115.31 120.49 2ctj h LEU 27 Ca 0.71 -0.53 0.09 0.00 0.09 0.00 0.00 57.88 58.24 2ctj h LEU 27 Cb 2.56 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 43.09 2ctj h LEU 27 CO -0.14 1.45 -0.57 0.45 0.09 0.00 0.00 178.44 179.73 2ctj h HIS 28 N 0.05 -1.82 -0.70 1.13 3.86 0.32 0.42 115.15 118.42 2ctj h HIS 28 Ca -0.29 0.12 0.09 0.00 -1.16 0.00 0.00 60.37 59.14 2ctj h HIS 28 Cb 2.02 0.92 -0.07 0.00 1.06 0.00 0.00 27.41 31.33 2ctj h HIS 28 CO 0.05 -0.36 0.33 -0.91 0.86 0.00 0.00 177.93 177.91 2ctj h ASN 29 N -0.01 0.42 0.69 2.45 4.21 -1.72 0.21 115.58 121.83 2ctj h ASN 29 Ca 0.15 0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.70 2ctj h ASN 29 Cb 0.40 -0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.59 2ctj h ASN 29 CO -0.89 0.24 -0.46 0.28 -1.29 0.00 0.00 177.43 175.31 2ctj h SER 30 N 0.57 -1.17 0.67 5.81 0.02 -0.51 0.32 113.55 119.26 2ctj h SER 30 Ca 0.34 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.34 2ctj h SER 30 Cb 0.38 0.35 -0.00 0.00 0.14 0.00 0.00 62.40 63.26 2ctj h SER 30 CO -0.28 -0.69 -0.41 -0.07 -1.14 0.00 0.00 176.83 174.24 2ctj h LEU 31 N -1.09 -1.05 -1.26 5.07 3.38 -0.24 -2.52 115.31 117.60 2ctj h LEU 31 Ca -0.09 0.06 0.20 0.00 0.09 0.00 0.00 57.88 58.14 2ctj h LEU 31 Cb 0.89 0.31 -0.09 0.00 0.09 0.00 0.00 40.66 41.86 2ctj h LEU 31 CO 0.07 -0.64 0.61 0.40 0.09 0.00 0.00 178.44 178.97 2ctj h ILE 32 N -1.02 0.68 0.00 1.22 2.04 -0.60 -3.37 117.51 116.46 2ctj h ILE 32 Ca -0.08 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2ctj h ILE 32 Cb 0.83 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2ctj h ILE 32 CO 0.08 0.11 0.00 0.61 0.00 0.00 0.00 178.15 178.95 2ctj n GLY 33 N -1.42 -0.80 0.13 5.37 0.00 0.11 -3.15 105.19 105.42 2ctj n GLY 33 Ca 0.22 -1.78 -0.18 0.00 0.00 0.00 0.00 46.02 44.28 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 1.47 0.00 2.61 1.03 -1.89 -3.43 112.91 112.70 2ctj h THR 34 Ca 0.00 -2.17 -0.06 0.00 -0.01 0.00 0.00 66.41 64.17 2ctj h THR 34 Cb 0.00 2.78 -0.01 0.00 -1.07 0.00 0.00 68.15 69.85 2ctj h THR 34 CO 0.00 0.62 -1.14 0.29 -0.01 0.00 0.00 175.52 175.28 2ctj n LYS 35 N -4.24 0.08 0.00 0.00 4.76 -1.26 -5.05 118.16 112.44 2ctj n LYS 35 Ca -0.11 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 2ctj n LYS 35 Cb 0.68 -0.63 0.00 0.00 -1.84 0.00 0.00 35.03 33.24 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 2.80 0.00 0.12 0.72 0.00 -1.19 -5.06 105.19 102.58 2ctj n GLY 36 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 0.16 -0.55 1.61 0.11 -1.91 -1.93 114.38 111.87 2ctj h ARG 37 Ca 0.00 -0.28 0.13 0.00 0.10 0.00 0.00 59.98 59.93 2ctj h ARG 37 Cb 0.00 0.10 -0.03 0.00 1.11 0.00 0.00 29.97 31.16 2ctj h ARG 37 CO 0.00 1.13 0.38 -0.07 0.10 0.00 0.00 179.97 181.52 2ctj h LEU 38 N -0.48 0.14 0.09 0.08 -0.00 -1.78 0.29 115.31 113.65 2ctj h LEU 38 Ca -0.32 0.01 -0.36 0.00 -0.00 0.00 0.00 57.88 57.20 2ctj h LEU 38 Cb 1.63 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 42.24 2ctj h LEU 38 CO -0.02 0.08 -2.06 -0.38 -0.00 0.00 0.00 178.44 176.06 2ctj n ILE 39 N -4.42 1.70 -0.28 1.22 2.08 -1.26 -3.84 119.36 114.57 2ctj n ILE 39 Ca 0.10 -0.59 0.05 0.00 0.56 0.00 0.00 62.75 62.87 2ctj n ILE 39 Cb 0.51 -1.70 0.27 0.00 -0.75 0.00 0.00 39.64 37.98 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 -0.04 0.93 -0.41 0.38 2.47 -0.83 -1.37 114.38 115.51 2ctj h ARG 40 Ca -0.46 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.13 2ctj h ARG 40 Cb 1.95 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 30.05 2ctj h ARG 40 CO 0.02 0.61 -0.03 0.77 0.56 0.00 0.00 179.97 181.91 2ctj h SER 41 N 0.95 0.73 -0.19 7.04 0.02 -1.13 -3.09 113.55 117.88 2ctj h SER 41 Ca 0.38 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2ctj h SER 41 Cb 0.24 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2ctj h SER 41 CO -0.14 0.88 0.11 0.40 -1.14 0.00 0.00 176.83 176.93 2ctj h ILE 42 N 0.56 1.10 -1.02 3.27 2.04 -1.47 0.19 117.51 122.19 2ctj h ILE 42 Ca 0.11 -0.26 0.26 0.00 1.00 0.00 0.00 64.86 65.97 2ctj h ILE 42 Cb 0.52 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 37.44 2ctj h ILE 42 CO 0.03 0.09 0.67 0.24 0.00 0.00 0.00 178.15 179.18 2ctj h MET 43 N 0.21 0.35 0.02 2.37 2.86 -1.24 0.13 114.93 119.63 2ctj h MET 43 Ca 0.07 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.55 2ctj h MET 43 Cb 0.06 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2ctj h MET 43 CO -0.01 0.23 -0.72 1.49 1.06 0.00 0.00 176.91 178.96 2ctj h GLU 44 N 0.36 0.05 -0.65 1.72 4.57 -1.36 0.54 114.58 119.82 2ctj h GLU 44 Ca 0.56 -0.09 0.13 0.00 -1.18 0.00 0.00 59.36 58.78 2ctj h GLU 44 Cb 1.48 0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 30.01 2ctj h GLU 44 CO -0.24 1.04 0.15 0.93 -1.18 0.00 0.00 179.01 179.72 2ctj h GLU 45 N -0.87 0.27 -0.25 1.92 5.08 0.20 -1.54 114.58 119.39 2ctj h GLU 45 Ca -0.18 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2ctj h GLU 45 Cb 1.26 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2ctj h GLU 45 CO -0.06 0.18 0.10 0.00 -1.00 0.00 0.00 179.01 178.22 2ctj n GLY 47 N -0.72 1.25 0.00 0.00 0.00 -0.58 -4.74 105.19 100.40 2ctj n GLY 47 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 3.92 -0.02 0.00 0.19 -4.84 105.19 104.43 2ctj n GLY 48 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2ctj n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ctj s VAL 49 N 0.00 4.99 -0.20 1.61 -7.23 -1.04 -4.90 120.40 113.63 2ctj s VAL 49 Ca 0.00 -0.03 -0.03 0.00 -1.81 0.00 0.00 61.98 60.11 2ctj s VAL 49 Cb 0.00 -3.82 -0.01 0.00 0.56 0.00 0.00 36.38 33.10 2ctj s VAL 49 CO 0.00 -0.61 -0.05 -1.00 -0.31 0.00 0.00 175.10 173.13 2ctj s HIS 50 N -2.42 2.95 -0.01 2.82 0.09 -0.28 -4.68 115.29 113.75 2ctj s HIS 50 Ca 0.44 -0.79 -0.02 0.00 -0.00 0.00 0.00 55.06 54.69 2ctj s HIS 50 Cb -0.10 -2.05 -0.04 0.00 -0.00 0.00 0.00 32.58 30.39 2ctj s HIS 50 CO 0.37 -0.42 0.17 0.42 -0.00 0.00 0.00 174.74 175.28 2ctj s ILE 51 N 1.16 5.34 -0.21 0.60 1.01 -1.26 -0.25 121.20 127.58 2ctj s ILE 51 Ca 0.02 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 2ctj s ILE 51 Cb -0.14 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 2ctj s ILE 51 CO -0.01 0.33 0.03 -1.00 0.00 0.00 0.00 174.94 174.29 2ctj s HIS 52 N -1.30 3.09 -0.33 3.97 3.76 0.24 -4.96 115.29 119.75 2ctj s HIS 52 Ca 0.27 -0.33 -0.00 0.00 -0.15 0.00 0.00 55.06 54.84 2ctj s HIS 52 Cb -0.13 -2.11 0.11 0.00 1.11 0.00 0.00 32.58 31.56 2ctj s HIS 52 CO 0.18 -0.18 0.12 -0.06 -0.85 0.00 0.00 174.74 173.95 2ctj s PHE 53 N 0.99 1.74 0.43 1.40 0.08 -1.26 -3.21 117.98 118.14 2ctj s PHE 53 Ca 0.03 -1.84 -0.24 0.00 0.12 0.00 0.00 56.93 55.00 2ctj s PHE 53 Cb -0.14 -1.73 -0.08 0.00 -0.57 0.00 0.00 43.02 40.50 2ctj s PHE 53 CO 0.02 -0.87 1.18 -1.25 -0.10 0.00 0.00 175.22 174.20 2ctj s PRO 54 N 1.43 3.89 0.74 0.24 0.04 -1.26 -4.98 135.00 135.09 2ctj s PRO 54 Ca 0.11 1.83 -0.16 0.00 0.04 0.00 0.00 61.00 62.82 2ctj s PRO 54 Cb -0.18 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 2ctj s PRO 54 CO -0.21 -0.46 0.45 1.55 0.04 0.00 0.00 177.00 178.37 2ctj n VAL 55 N -0.22 1.52 -0.11 -0.36 3.14 -1.26 -4.82 118.33 116.22 2ctj n VAL 55 Ca 0.06 -0.39 -0.10 0.00 -2.96 0.00 0.00 64.34 60.94 2ctj n VAL 55 Cb 0.47 -0.67 -0.03 0.00 -1.06 0.00 0.00 33.84 32.55 2ctj n VAL 55 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 2ctj h GLU 56 N -0.45 0.52 -0.44 1.45 4.11 -1.93 -3.13 114.58 114.70 2ctj h GLU 56 Ca -0.45 -0.14 0.07 0.00 0.07 0.00 0.00 59.36 58.91 2ctj h GLU 56 Cb 1.35 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.47 2ctj h GLU 56 CO 0.41 0.62 0.08 0.78 0.07 0.00 0.00 179.01 180.96 2ctj h GLY 57 N 0.35 0.52 -0.48 1.06 0.00 -2.00 -1.58 103.07 100.93 2ctj h GLY 57 Ca 0.10 -0.01 0.31 0.00 0.00 0.00 0.00 47.33 47.72 2ctj h GLY 57 CO 0.01 -0.06 0.54 0.23 0.00 0.00 0.00 176.54 177.25 2ctj h SER 58 N 0.20 0.48 -0.27 0.19 0.87 -1.91 -3.45 113.55 109.67 2ctj h SER 58 Ca 0.22 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 2ctj h SER 58 Cb 0.28 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2ctj h SER 58 CO -0.30 -0.12 0.00 0.61 -0.53 0.00 0.00 176.83 176.49 2ctj n GLY 59 N -1.30 0.90 3.32 5.77 0.00 -0.60 -5.05 105.19 108.24 2ctj n GLY 59 Ca 0.30 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.70 5.64 -0.62 1.61 0.15 -1.26 -4.96 113.70 111.55 2ctj s SER 60 Ca 0.00 -1.19 -0.02 0.00 0.70 0.00 0.00 55.95 55.44 2ctj s SER 60 Cb 0.00 -1.99 0.36 0.00 -1.71 0.00 0.00 66.02 62.68 2ctj s SER 60 CO 0.00 -0.43 2.09 -0.90 1.20 0.00 0.00 173.24 175.20 2ctj n ASP 61 N 4.94 7.36 -3.90 5.45 5.75 -1.26 -4.63 116.55 130.27 2ctj n ASP 61 Ca -0.11 -3.62 -0.28 0.00 -0.01 0.00 0.00 54.79 50.76 2ctj n ASP 61 Cb 0.45 -1.03 -0.17 0.00 -1.03 0.00 0.00 41.12 39.34 2ctj n ASP 61 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2ctj s THR 62 N -4.22 1.12 -0.38 2.12 2.01 -1.26 -0.49 115.64 114.54 2ctj s THR 62 Ca 0.56 -0.57 -0.15 0.00 0.31 0.00 0.00 61.69 61.84 2ctj s THR 62 Cb 0.44 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.70 2ctj s THR 62 CO -0.10 0.19 0.31 -0.69 -0.69 0.00 0.00 174.62 173.63 2ctj s VAL 63 N 1.64 5.23 -0.26 3.82 1.01 0.69 -4.67 120.40 127.86 2ctj s VAL 63 Ca 0.02 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 2ctj s VAL 63 Cb -0.15 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 2ctj s VAL 63 CO -0.08 -0.22 0.44 -0.69 0.00 0.00 0.00 175.10 174.55 2ctj s VAL 64 N 1.79 5.13 -0.14 2.92 1.01 -1.20 -0.25 120.40 129.67 2ctj s VAL 64 Ca 0.07 0.73 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 2ctj s VAL 64 Cb -0.18 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 2ctj s VAL 64 CO 0.11 0.14 -0.07 -0.63 0.00 0.00 0.00 175.10 174.64 2ctj s ILE 65 N 2.09 3.59 0.23 2.22 1.01 -0.61 0.80 121.20 130.53 2ctj s ILE 65 Ca 0.18 -0.47 0.11 0.00 0.00 0.00 0.00 60.65 60.47 2ctj s ILE 65 Cb -0.16 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 2ctj s ILE 65 CO 0.09 0.51 -0.20 -0.13 0.00 0.00 0.00 174.94 175.22 2ctj s ARG 66 N 0.25 1.68 0.00 2.79 0.52 0.65 -1.15 118.95 123.69 2ctj s ARG 66 Ca -0.05 -1.58 0.00 0.00 -0.52 0.00 0.00 55.73 53.58 2ctj s ARG 66 Cb -0.14 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.45 2ctj s ARG 66 CO 0.04 0.38 0.00 0.41 0.02 0.00 0.00 175.30 176.14 2ctj n GLY 67 N -0.16 0.75 3.62 -3.53 0.00 -1.25 -1.13 105.19 103.50 2ctj n GLY 67 Ca -0.09 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.33 3.70 0.17 1.61 0.04 -1.26 -1.34 135.00 136.59 2ctj s PRO 68 Ca 0.00 1.58 -0.12 0.00 0.04 0.00 0.00 61.00 62.50 2ctj s PRO 68 Cb 0.00 -4.06 0.19 0.00 0.04 0.00 0.00 34.50 30.67 2ctj s PRO 68 CO 0.00 -1.40 1.12 -1.13 0.04 0.00 0.00 177.00 175.63 2ctj n SER 69 N 8.78 -0.44 -0.33 6.66 3.41 -1.26 0.79 113.62 131.23 2ctj n SER 69 Ca 0.19 1.26 0.03 0.00 -0.26 0.00 0.00 58.87 60.09 2ctj n SER 69 Cb 0.46 -0.30 0.09 0.00 -0.26 0.00 0.00 64.21 64.20 2ctj n SER 69 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ctj n SER 70 N -5.08 -0.41 0.00 4.04 2.88 -1.26 -0.60 113.62 113.20 2ctj n SER 70 Ca 0.08 1.55 -0.18 0.00 -1.33 0.00 0.00 58.87 58.98 2ctj n SER 70 Cb 0.30 -0.43 -0.14 0.00 -0.75 0.00 0.00 64.21 63.19 2ctj n SER 70 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2ctj h ASP 71 N 0.00 0.29 -1.02 -3.46 3.32 0.09 -3.33 116.42 112.32 2ctj h ASP 71 Ca 0.39 -0.95 0.38 0.00 0.02 0.00 0.00 57.03 56.86 2ctj h ASP 71 Cb 0.61 -0.10 -0.16 0.00 0.22 0.00 0.00 39.33 39.90 2ctj h ASP 71 CO -0.91 1.28 0.57 0.58 -1.72 0.00 0.00 179.24 179.04 2ctj h VAL 72 N -0.60 0.14 -0.37 -1.35 2.07 0.12 1.49 116.25 117.74 2ctj h VAL 72 Ca -0.11 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 2ctj h VAL 72 Cb 1.42 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2ctj h VAL 72 CO 0.08 0.03 -0.07 1.05 0.02 0.00 0.00 177.57 178.68 2ctj h GLU 73 N 0.15 0.62 -0.06 1.57 -0.00 -0.95 -1.31 114.58 114.58 2ctj h GLU 73 Ca 0.80 -0.17 -0.21 0.00 -0.00 0.00 0.00 59.36 59.78 2ctj h GLU 73 Cb 2.01 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 30.70 2ctj h GLU 73 CO -0.68 0.69 -0.83 0.87 -0.00 0.00 0.00 179.01 179.05 2ctj h LYS 74 N 0.58 0.51 -0.43 1.06 1.79 0.19 -2.15 116.57 118.11 2ctj h LYS 74 Ca 0.11 -0.47 -0.10 0.00 -2.18 0.00 0.00 60.65 58.01 2ctj h LYS 74 Cb 0.47 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 2ctj h LYS 74 CO 0.02 1.10 -0.13 0.00 -1.08 0.00 0.00 179.45 179.36 2ctj h ALA 75 N 0.75 0.60 0.16 3.86 0.00 -0.76 -1.81 119.26 122.05 2ctj h ALA 75 Ca -0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2ctj h ALA 75 Cb 1.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ctj h ALA 75 CO 0.15 0.51 -0.08 -0.22 0.00 0.00 0.00 179.25 179.62 2ctj h LYS 76 N 0.68 -0.21 -0.09 0.00 3.64 -1.28 -0.93 116.57 118.39 2ctj h LYS 76 Ca 0.11 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2ctj h LYS 76 Cb 0.68 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2ctj h LYS 76 CO 0.05 0.16 0.10 1.57 -2.27 0.00 0.00 179.45 179.06 2ctj h LYS 77 N -0.61 0.00 0.18 1.90 2.10 -1.43 -1.04 116.57 117.67 2ctj h LYS 77 Ca -0.02 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.31 2ctj h LYS 77 Cb 0.46 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.81 2ctj h LYS 77 CO 0.04 0.00 -1.46 1.96 -2.00 0.00 0.00 179.45 177.99 2ctj h GLN 78 N 0.00 0.39 0.01 0.07 4.20 -1.16 -3.13 115.11 115.48 2ctj h GLN 78 Ca 0.04 -0.67 -0.00 0.00 0.06 0.00 0.00 58.65 58.09 2ctj h GLN 78 Cb 0.24 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2ctj h GLN 78 CO -0.00 1.30 -0.00 1.25 -0.67 0.00 0.00 178.83 180.71 2ctj h LEU 79 N 0.11 -0.01 -0.29 1.46 5.85 0.01 -2.56 115.31 119.87 2ctj h LEU 79 Ca -0.23 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.22 2ctj h LEU 79 Cb 2.08 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 43.06 2ctj h LEU 79 CO 0.22 0.32 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.55 2ctj h LEU 80 N -0.35 -0.18 0.27 2.25 4.07 -1.38 0.19 115.31 120.18 2ctj h LEU 80 Ca -0.00 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2ctj h LEU 80 Cb 0.34 0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.19 2ctj h LEU 80 CO 0.00 -0.06 -0.49 -0.74 -1.08 0.00 0.00 178.44 176.08 2ctj h HIS 81 N 0.05 -1.37 0.54 1.13 2.76 -1.55 -2.41 115.15 114.30 2ctj h HIS 81 Ca 0.14 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 2ctj h HIS 81 Cb 0.20 0.56 -0.02 0.00 1.55 0.00 0.00 27.41 29.71 2ctj h HIS 81 CO -0.24 -0.60 -0.44 -0.07 -1.30 0.00 0.00 177.93 175.28 2ctj h LEU 82 N -0.82 -1.15 -0.72 0.26 3.38 -1.22 -2.53 115.31 112.50 2ctj h LEU 82 Ca -0.02 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.13 2ctj h LEU 82 Cb 0.78 0.37 -0.11 0.00 0.09 0.00 0.00 40.66 41.79 2ctj h LEU 82 CO -0.18 -0.62 -0.32 0.00 0.09 0.00 0.00 178.44 177.40 2ctj n ALA 83 N -2.71 -0.20 -0.17 1.53 0.00 0.66 0.15 120.51 119.77 2ctj n ALA 83 Ca -0.12 0.69 -0.05 0.00 0.00 0.00 0.00 53.44 53.96 2ctj n ALA 83 Cb 0.43 -0.26 0.04 0.00 0.00 0.00 0.00 19.45 19.67 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 0.53 0.91 0.00 5.08 -1.24 -2.96 114.58 116.90 2ctj h GLU 84 Ca 0.21 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 2ctj h GLU 84 Cb 0.39 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.53 2ctj h GLU 84 CO -0.71 0.35 -0.44 0.93 -1.00 0.00 0.00 179.01 178.15 2ctj h GLU 85 N 0.54 -1.18 -0.72 2.33 4.39 0.18 -3.06 114.58 117.07 2ctj h GLU 85 Ca 0.21 0.08 0.16 0.00 0.34 0.00 0.00 59.36 60.15 2ctj h GLU 85 Cb 0.08 0.27 -0.14 0.00 -0.10 0.00 0.00 28.75 28.86 2ctj h GLU 85 CO -0.12 -0.78 -0.14 1.63 -1.16 0.00 0.00 179.01 178.43 2ctj n LYS 86 N -5.49 -0.06 -1.08 2.33 4.76 0.12 -4.53 118.16 114.21 2ctj n LYS 86 Ca -0.15 1.11 -0.37 0.00 -2.87 0.00 0.00 58.31 56.03 2ctj n LYS 86 Cb 0.48 -1.68 -0.02 0.00 -1.84 0.00 0.00 35.03 31.97 2ctj n LYS 86 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2ctj n GLN 87 N -5.13 0.00 -1.47 1.97 6.02 -1.12 -4.56 117.38 113.08 2ctj n GLN 87 Ca 0.13 0.00 -0.46 0.00 -0.01 0.00 0.00 57.00 56.66 2ctj n GLN 87 Cb 0.40 -0.78 -0.08 0.00 1.02 0.00 0.00 30.24 30.81 2ctj n GLN 87 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2ctj n THR 88 N -0.02 0.10 -1.19 5.09 -1.04 -1.26 -4.84 114.28 111.12 2ctj n THR 88 Ca 0.14 -0.32 -0.38 0.00 -2.04 0.00 0.00 64.05 61.45 2ctj n THR 88 Cb 0.20 -1.68 0.01 0.00 -1.82 0.00 0.00 70.33 67.04 2ctj n THR 88 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2ctj n LYS 89 N 8.41 0.00 -1.65 -2.82 3.00 -1.26 -4.70 118.16 119.14 2ctj n LYS 89 Ca 0.45 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 58.31 2ctj n LYS 89 Cb 0.26 -0.98 -0.04 0.00 0.00 0.00 0.00 35.03 34.27 2ctj n LYS 89 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2ctj n SER 90 N 2.62 3.82 -3.58 3.14 3.41 -1.26 -4.95 113.62 116.82 2ctj n SER 90 Ca 0.06 0.83 -0.16 0.00 -0.26 0.00 0.00 58.87 59.34 2ctj n SER 90 Cb 0.48 -1.48 -0.07 0.00 -0.26 0.00 0.00 64.21 62.88 2ctj n SER 90 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ctj s GLY 91 N 4.86 -0.52 0.00 5.00 0.00 -1.26 -5.02 107.32 110.37 2ctj s GLY 91 Ca 0.92 1.45 0.14 0.00 0.00 0.00 0.00 44.72 47.24 2ctj s GLY 91 CO 0.44 1.14 1.44 -1.55 0.00 0.00 0.00 173.10 174.57 2ctj n PRO 92 N 1.56 0.06 -3.79 2.90 -0.04 -1.26 -4.46 135.00 129.97 2ctj n PRO 92 Ca -0.17 0.22 -0.37 0.00 -0.04 0.00 0.00 63.50 63.14 2ctj n PRO 92 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 2ctj n PRO 92 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ctj s SER 93 N -2.87 5.20 0.05 3.54 1.04 -1.26 -5.05 113.70 114.34 2ctj s SER 93 Ca 0.09 -1.33 -0.28 0.00 0.48 0.00 0.00 55.95 54.91 2ctj s SER 93 Cb 0.09 -1.82 0.10 0.00 0.10 0.00 0.00 66.02 64.49 2ctj s SER 93 CO 0.25 -0.35 1.15 -0.94 0.98 0.00 0.00 173.24 174.33 2ctj s SER 94 N 1.47 -0.11 0.00 7.02 1.04 -1.26 -5.13 113.70 116.73 2ctj s SER 94 Ca -0.01 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2ctj s SER 94 Cb -0.20 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2ctj s SER 94 CO 0.01 -0.55 0.22 0.61 0.98 0.00 0.00 173.24 174.51