#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 7.03 0.26 1.61 0.01 -1.26 -5.00 113.70 116.36 2ctj s SER 2 Ca 0.00 1.26 -0.29 0.00 1.31 0.00 0.00 55.95 58.23 2ctj s SER 2 Cb 0.00 -2.47 -0.14 0.00 0.21 0.00 0.00 66.02 63.61 2ctj s SER 2 CO 0.00 -0.36 1.05 -0.24 0.41 0.00 0.00 173.24 174.10 2ctj n SER 3 N 4.91 1.35 0.00 2.44 2.88 -1.26 -4.77 113.62 119.17 2ctj n SER 3 Ca 0.04 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2ctj n SER 3 Cb 0.49 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 2ctj n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctj n GLY 4 N 1.42 0.16 3.91 0.46 0.00 -1.26 -5.02 105.19 104.86 2ctj n GLY 4 Ca 0.11 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2ctj n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ctj n SER 5 N -1.40 -1.24 -4.39 1.61 2.88 -1.26 -4.87 113.62 104.95 2ctj n SER 5 Ca 0.00 -0.99 -0.33 0.00 -1.33 0.00 0.00 58.87 56.22 2ctj n SER 5 Cb 0.00 -1.26 -0.14 0.00 -0.75 0.00 0.00 64.21 62.06 2ctj n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ctj s SER 6 N -2.90 4.00 0.58 -3.46 1.04 -1.26 -5.13 113.70 106.57 2ctj s SER 6 Ca 0.60 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.76 2ctj s SER 6 Cb -0.35 -1.44 0.10 0.00 0.10 0.00 0.00 66.02 64.43 2ctj s SER 6 CO 0.81 0.21 0.72 0.61 0.98 0.00 0.00 173.24 176.56 2ctj n GLY 7 N 3.25 1.19 1.98 7.32 0.00 -1.26 -4.98 105.19 112.70 2ctj n GLY 7 Ca -0.18 -2.09 -0.16 0.00 0.00 0.00 0.00 46.02 43.59 2ctj n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ctj n SER 8 N -2.75 6.21 -4.49 1.61 2.88 -1.26 -4.88 113.62 110.94 2ctj n SER 8 Ca 0.13 -2.95 -0.33 0.00 -1.33 0.00 0.00 58.87 54.38 2ctj n SER 8 Cb 0.46 -1.14 -0.13 0.00 -0.75 0.00 0.00 64.21 62.66 2ctj n SER 8 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2ctj s ILE 9 N -1.68 3.18 -0.57 2.46 -4.36 -1.26 -5.02 121.20 113.95 2ctj s ILE 9 Ca 0.36 -0.68 -0.02 0.00 -0.26 0.00 0.00 60.65 60.05 2ctj s ILE 9 Cb 0.25 -2.26 0.25 0.00 1.25 0.00 0.00 42.46 41.95 2ctj s ILE 9 CO -0.05 0.59 2.27 0.00 0.24 0.00 0.00 174.94 177.99 2ctj n GLN 10 N 2.35 2.42 -3.03 0.37 10.64 -1.26 -4.93 117.38 123.94 2ctj n GLN 10 Ca -0.17 -2.68 -0.42 0.00 -1.83 0.00 0.00 57.00 51.90 2ctj n GLN 10 Cb 0.52 -2.09 -0.06 0.00 -0.86 0.00 0.00 30.24 27.75 2ctj n GLN 10 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2ctj s LYS 11 N -2.78 3.61 -0.32 2.61 -0.14 -1.26 -5.03 119.74 116.43 2ctj s LYS 11 Ca 0.53 0.06 -0.06 0.00 -1.36 0.00 0.00 55.97 55.14 2ctj s LYS 11 Cb 0.39 -3.85 0.03 0.00 -1.68 0.00 0.00 37.83 32.73 2ctj s LYS 11 CO -0.18 -0.88 0.08 -0.51 -0.76 0.00 0.00 175.35 173.10 2ctj s ASP 12 N 1.90 5.19 -0.26 2.83 1.11 -1.26 -4.95 116.67 121.23 2ctj s ASP 12 Ca 0.28 -1.04 0.11 0.00 0.18 0.00 0.00 52.55 52.07 2ctj s ASP 12 Cb -0.13 -1.85 0.52 0.00 1.07 0.00 0.00 42.92 42.53 2ctj s ASP 12 CO 0.18 -0.28 1.47 0.18 1.18 0.00 0.00 175.17 177.90 2ctj n LEU 13 N 4.80 4.18 -3.79 1.23 4.32 -1.26 -4.98 117.00 121.51 2ctj n LEU 13 Ca -0.13 -3.53 -0.13 0.00 -0.02 0.00 0.00 56.01 52.20 2ctj n LEU 13 Cb 0.45 -0.62 -0.10 0.00 -1.62 0.00 0.00 43.42 41.54 2ctj n LEU 13 CO 0.31 1.07 -0.04 0.00 -1.22 0.00 0.00 177.39 177.50 2ctj s ALA 14 N -3.12 -0.67 0.09 -1.18 0.00 -1.26 -5.06 121.76 110.56 2ctj s ALA 14 Ca 0.44 0.45 -0.16 0.00 0.00 0.00 0.00 51.96 52.69 2ctj s ALA 14 Cb 0.39 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 23.26 2ctj s ALA 14 CO 0.03 -0.20 1.41 -2.95 0.00 0.00 0.00 175.76 174.06 2ctj h ASN 15 N 4.72 0.65 -3.97 0.00 7.08 -1.99 -3.44 115.58 118.63 2ctj h ASN 15 Ca -0.28 -0.46 -0.50 0.00 -3.08 0.00 0.00 56.30 51.98 2ctj h ASN 15 Cb 1.19 -0.18 0.04 0.00 -2.08 0.00 0.00 38.32 37.28 2ctj h ASN 15 CO 0.37 0.98 0.46 -0.63 -2.08 0.00 0.00 177.43 176.53 2ctj s ILE 16 N -4.40 3.36 -0.25 6.14 -1.09 -1.26 -4.68 121.20 119.03 2ctj s ILE 16 Ca -0.13 1.06 0.03 0.00 -2.23 0.00 0.00 60.65 59.38 2ctj s ILE 16 Cb 0.08 -3.56 0.05 0.00 -1.58 0.00 0.00 42.46 37.45 2ctj s ILE 16 CO 0.81 0.03 -0.12 0.00 -1.23 0.00 0.00 174.94 174.43 2ctj s ALA 17 N -1.55 2.49 -0.42 9.38 0.00 0.14 -4.93 121.76 126.87 2ctj s ALA 17 Ca 0.59 -1.66 -0.19 0.00 0.00 0.00 0.00 51.96 50.70 2ctj s ALA 17 Cb -0.27 -1.52 0.02 0.00 0.00 0.00 0.00 23.12 21.35 2ctj s ALA 17 CO 0.33 -1.08 0.53 -2.00 0.00 0.00 0.00 175.76 173.54 2ctj s GLU 18 N 1.15 3.23 -0.14 0.00 2.12 -1.26 -3.37 118.70 120.43 2ctj s GLU 18 Ca -0.07 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 54.74 2ctj s GLU 18 Cb -0.19 -3.94 0.02 0.00 0.26 0.00 0.00 34.13 30.27 2ctj s GLU 18 CO -0.06 -0.90 -0.18 0.08 -0.54 0.00 0.00 175.26 173.67 2ctj s VAL 19 N 2.45 1.76 0.21 3.70 1.01 -0.89 -4.97 120.40 123.67 2ctj s VAL 19 Ca 0.17 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.42 2ctj s VAL 19 Cb -0.16 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 2ctj s VAL 19 CO 0.16 0.49 0.26 -1.61 0.00 0.00 0.00 175.10 174.40 2ctj s GLU 20 N 1.12 3.21 -0.01 2.72 8.01 -1.26 -2.23 118.70 130.26 2ctj s GLU 20 Ca -0.02 -0.83 -0.04 0.00 0.01 0.00 0.00 54.97 54.09 2ctj s GLU 20 Cb -0.14 -2.77 -0.00 0.00 -4.31 0.00 0.00 34.13 26.90 2ctj s GLU 20 CO -0.06 0.45 0.08 0.54 0.01 0.00 0.00 175.26 176.28 2ctj s VAL 21 N -1.94 0.06 -0.21 2.63 0.11 -1.00 -4.98 120.40 115.07 2ctj s VAL 21 Ca 0.33 -0.49 -0.29 0.00 -2.93 0.00 0.00 61.98 58.61 2ctj s VAL 21 Cb -0.09 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.48 2ctj s VAL 21 CO 0.27 -0.27 1.10 -0.55 -3.33 0.00 0.00 175.10 172.32 2ctj s SER 22 N -0.86 7.06 -0.24 3.54 0.15 -1.26 -2.28 113.70 119.81 2ctj s SER 22 Ca -0.09 1.46 -0.19 0.00 0.70 0.00 0.00 55.95 57.83 2ctj s SER 22 Cb -0.06 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.78 2ctj s SER 22 CO 0.00 -0.69 0.61 -0.63 1.20 0.00 0.00 173.24 173.73 2ctj s ILE 23 N 3.26 -0.00 0.62 6.45 1.01 -0.28 -5.01 121.20 127.25 2ctj s ILE 23 Ca 0.47 0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.96 2ctj s ILE 23 Cb -0.17 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 2ctj s ILE 23 CO 0.08 0.00 1.12 -2.16 0.00 0.00 0.00 174.94 173.99 2ctj s PRO 24 N 0.72 2.99 0.36 2.79 0.04 -1.26 -3.90 135.00 136.73 2ctj s PRO 24 Ca -0.03 1.47 0.17 0.00 0.04 0.00 0.00 61.00 62.65 2ctj s PRO 24 Cb -0.05 -1.97 0.62 0.00 0.04 0.00 0.00 34.50 33.14 2ctj s PRO 24 CO -0.05 -1.11 1.71 0.00 0.04 0.00 0.00 177.00 177.59 2ctj h ALA 25 N 0.43 1.00 -0.74 8.56 0.00 -1.83 -2.93 119.26 123.75 2ctj h ALA 25 Ca -0.48 -0.38 0.11 0.00 0.00 0.00 0.00 54.91 54.16 2ctj h ALA 25 Cb 1.25 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 2ctj h ALA 25 CO 0.55 0.52 0.49 1.57 0.00 0.00 0.00 179.25 182.38 2ctj h LYS 26 N 0.00 0.55 0.10 0.00 2.10 -1.96 -2.02 116.57 115.34 2ctj h LYS 26 Ca -0.00 -0.03 -0.32 0.00 -2.00 0.00 0.00 60.65 58.29 2ctj h LYS 26 Cb 0.93 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.12 2ctj h LYS 26 CO 0.05 0.37 -1.67 -0.07 -2.00 0.00 0.00 179.45 176.13 2ctj h LEU 27 N 0.57 0.34 -0.41 7.07 3.38 -1.93 -3.38 115.31 120.95 2ctj h LEU 27 Ca 0.35 -0.56 0.04 0.00 0.09 0.00 0.00 57.88 57.80 2ctj h LEU 27 Cb 0.58 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2ctj h LEU 27 CO -0.12 1.48 -0.24 1.41 0.09 0.00 0.00 178.44 181.06 2ctj n HIS 28 N -3.40 -0.18 -0.34 1.13 8.25 -0.76 0.15 115.22 120.07 2ctj n HIS 28 Ca -0.20 0.51 0.25 0.00 -0.26 0.00 0.00 57.72 58.01 2ctj n HIS 28 Cb 1.05 -0.50 0.53 0.00 1.12 0.00 0.00 29.99 32.19 2ctj n HIS 28 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 2ctj h ASN 29 N 0.00 0.41 0.48 0.41 7.08 -1.75 0.17 115.58 122.38 2ctj h ASN 29 Ca 0.06 0.09 -0.02 0.00 -3.08 0.00 0.00 56.30 53.35 2ctj h ASN 29 Cb 0.17 0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.44 2ctj h ASN 29 CO -0.38 0.05 -0.23 0.77 -2.08 0.00 0.00 177.43 175.56 2ctj h SER 30 N 0.34 -0.54 -0.59 6.14 4.64 0.12 -1.04 113.55 122.61 2ctj h SER 30 Ca 0.62 -0.07 0.08 0.00 -0.47 0.00 0.00 61.79 61.95 2ctj h SER 30 Cb 1.65 0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 63.82 2ctj h SER 30 CO -0.30 -0.14 0.26 -0.07 -0.87 0.00 0.00 176.83 175.70 2ctj h LEU 31 N -1.05 0.32 0.96 5.97 3.38 0.49 -2.91 115.31 122.47 2ctj h LEU 31 Ca -0.07 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2ctj h LEU 31 Cb 0.58 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.35 2ctj h LEU 31 CO 0.11 0.20 -0.46 0.40 0.09 0.00 0.00 178.44 178.78 2ctj h ILE 32 N 0.48 0.05 0.00 1.22 2.04 -0.75 -3.26 117.51 117.28 2ctj h ILE 32 Ca 0.29 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 66.14 2ctj h ILE 32 Cb 0.29 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2ctj h ILE 32 CO -0.25 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.51 2ctj n GLY 33 N -1.62 2.58 0.31 5.37 0.00 -0.39 -2.16 105.19 109.27 2ctj n GLY 33 Ca -0.16 -1.98 0.13 0.00 0.00 0.00 0.00 46.02 44.01 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 0.25 -0.57 2.61 1.03 -1.89 -2.21 112.91 112.13 2ctj h THR 34 Ca 0.00 -0.05 -0.38 0.00 -0.01 0.00 0.00 66.41 65.97 2ctj h THR 34 Cb 0.00 0.09 -0.41 0.00 -1.07 0.00 0.00 68.15 66.76 2ctj h THR 34 CO 0.00 0.03 -0.98 0.29 -0.01 0.00 0.00 175.52 174.85 2ctj n LYS 35 N -5.29 2.57 -3.75 0.00 4.01 -1.26 -4.98 118.16 109.46 2ctj n LYS 35 Ca 0.21 -3.80 -0.24 0.00 -0.51 0.00 0.00 58.31 53.97 2ctj n LYS 35 Cb 0.69 -1.90 0.02 0.00 -0.51 0.00 0.00 35.03 33.33 2ctj n LYS 35 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ctj n GLY 36 N -0.65 -0.43 0.10 0.72 0.00 -0.83 -4.91 105.19 99.19 2ctj n GLY 36 Ca 0.24 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 2ctj n GLY 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ctj n ARG 37 N -4.25 0.86 0.25 1.61 0.63 -0.93 -3.32 116.66 111.52 2ctj n ARG 37 Ca -0.26 0.05 0.14 0.00 -0.92 0.00 0.00 57.85 56.86 2ctj n ARG 37 Cb 0.66 -1.47 0.61 0.00 0.45 0.00 0.00 32.46 32.72 2ctj n ARG 37 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2ctj h LEU 38 N 0.00 0.00 0.02 6.15 4.07 -1.63 -3.16 115.31 120.76 2ctj h LEU 38 Ca -0.50 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.08 2ctj h LEU 38 Cb 2.00 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.69 2ctj h LEU 38 CO -0.01 0.11 -2.15 -0.38 -1.08 0.00 0.00 178.44 174.92 2ctj n ILE 39 N -3.28 1.56 0.03 1.22 2.08 -1.18 -4.24 119.36 115.56 2ctj n ILE 39 Ca 0.00 -0.39 0.21 0.00 0.56 0.00 0.00 62.75 63.13 2ctj n ILE 39 Cb 0.34 -1.78 0.62 0.00 -0.75 0.00 0.00 39.64 38.07 2ctj n ILE 39 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 2ctj h ARG 40 N -0.58 0.00 0.19 0.38 0.11 -1.58 0.04 114.38 112.94 2ctj h ARG 40 Ca -0.55 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.52 2ctj h ARG 40 Cb 1.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.77 2ctj h ARG 40 CO -0.21 0.00 -0.09 1.03 0.10 0.00 0.00 179.97 180.80 2ctj h SER 41 N 0.00 -0.22 -0.54 0.08 0.87 -1.72 -3.04 113.55 108.99 2ctj h SER 41 Ca 0.26 -0.28 0.06 0.00 -1.23 0.00 0.00 61.79 60.60 2ctj h SER 41 Cb 1.69 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 63.65 2ctj h SER 41 CO -0.00 0.32 0.25 0.40 -0.53 0.00 0.00 176.83 177.27 2ctj h ILE 42 N -0.93 0.90 -0.91 2.23 2.04 -1.20 0.29 117.51 119.95 2ctj h ILE 42 Ca -0.03 -0.16 0.15 0.00 1.00 0.00 0.00 64.86 65.82 2ctj h ILE 42 Cb 0.49 0.39 -0.09 0.00 -0.74 0.00 0.00 36.82 36.86 2ctj h ILE 42 CO 0.04 0.09 0.51 0.24 0.00 0.00 0.00 178.15 179.03 2ctj h MET 43 N 0.47 0.72 0.07 2.37 2.86 -1.42 0.26 114.93 120.26 2ctj h MET 43 Ca 0.25 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2ctj h MET 43 Cb 0.20 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2ctj h MET 43 CO -0.20 0.47 -0.03 1.49 1.06 0.00 0.00 176.91 179.70 2ctj h GLU 44 N 0.74 -0.09 -0.88 1.72 4.81 -1.20 0.26 114.58 119.94 2ctj h GLU 44 Ca 0.49 0.01 0.24 0.00 -0.13 0.00 0.00 59.36 59.96 2ctj h GLU 44 Cb 0.64 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 29.90 2ctj h GLU 44 CO -0.34 -0.06 0.21 0.93 -0.73 0.00 0.00 179.01 179.03 2ctj h GLU 45 N -0.87 0.17 0.35 1.92 4.39 -0.36 -0.18 114.58 120.00 2ctj h GLU 45 Ca -0.01 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2ctj h GLU 45 Cb 0.07 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2ctj h GLU 45 CO 0.02 0.12 -0.26 0.00 -1.16 0.00 0.00 179.01 177.72 2ctj n GLY 47 N -1.38 0.42 0.00 0.00 0.00 -0.08 -4.89 105.19 99.25 2ctj n GLY 47 Ca -0.10 -0.02 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 0.14 3.91 -0.02 0.00 0.88 -4.91 105.19 105.19 2ctj n GLY 48 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.17 5.07 -0.15 1.61 -7.23 -1.06 -4.93 120.40 113.54 2ctj s VAL 49 Ca 0.00 -0.05 -0.01 0.00 -1.81 0.00 0.00 61.98 60.10 2ctj s VAL 49 Cb 0.00 -3.74 -0.02 0.00 0.56 0.00 0.00 36.38 33.19 2ctj s VAL 49 CO 0.00 -0.30 -0.10 -1.00 -0.31 0.00 0.00 175.10 173.40 2ctj s HIS 50 N -2.04 2.88 0.02 2.82 0.09 -0.50 -4.66 115.29 113.90 2ctj s HIS 50 Ca 0.43 -0.64 0.01 0.00 -0.00 0.00 0.00 55.06 54.86 2ctj s HIS 50 Cb -0.11 -1.91 -0.04 0.00 -0.00 0.00 0.00 32.58 30.52 2ctj s HIS 50 CO 0.30 -0.24 0.04 0.42 -0.00 0.00 0.00 174.74 175.26 2ctj s ILE 51 N 0.55 4.41 -0.28 0.60 1.01 -1.26 -0.14 121.20 126.09 2ctj s ILE 51 Ca -0.07 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 2ctj s ILE 51 Cb -0.15 -3.03 0.02 0.00 0.01 0.00 0.00 42.46 39.30 2ctj s ILE 51 CO 0.03 0.30 0.04 -1.00 0.00 0.00 0.00 174.94 174.31 2ctj s HIS 52 N -1.20 3.13 -0.28 3.97 3.76 0.13 -4.98 115.29 119.82 2ctj s HIS 52 Ca 0.23 -1.16 0.01 0.00 -0.15 0.00 0.00 55.06 53.99 2ctj s HIS 52 Cb -0.12 -2.20 0.06 0.00 1.11 0.00 0.00 32.58 31.43 2ctj s HIS 52 CO 0.14 -0.62 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.29 2ctj s PHE 53 N 1.45 3.29 0.45 1.40 0.08 -1.26 -3.13 117.98 120.25 2ctj s PHE 53 Ca 0.02 -2.18 -0.23 0.00 0.12 0.00 0.00 56.93 54.65 2ctj s PHE 53 Cb -0.17 -2.04 -0.08 0.00 -0.57 0.00 0.00 43.02 40.16 2ctj s PHE 53 CO 0.01 -0.85 1.17 -1.25 -0.10 0.00 0.00 175.22 174.19 2ctj s PRO 54 N 1.15 3.83 0.47 0.24 0.04 -1.26 -4.99 135.00 134.48 2ctj s PRO 54 Ca -0.07 1.80 -0.24 0.00 0.04 0.00 0.00 61.00 62.53 2ctj s PRO 54 Cb -0.20 -2.47 -0.07 0.00 0.04 0.00 0.00 34.50 31.80 2ctj s PRO 54 CO -0.04 -0.50 1.32 0.08 0.04 0.00 0.00 177.00 177.90 2ctj s VAL 55 N -1.51 2.41 0.15 -0.36 1.01 -1.26 -4.89 120.40 115.95 2ctj s VAL 55 Ca 0.62 0.33 -0.29 0.00 0.00 0.00 0.00 61.98 62.64 2ctj s VAL 55 Cb -0.29 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2ctj s VAL 55 CO 0.36 0.02 1.56 -0.33 0.00 0.00 0.00 175.10 176.71 2ctj h GLU 56 N 2.05 -0.28 -0.74 2.72 5.08 -1.94 -0.03 114.58 121.44 2ctj h GLU 56 Ca -0.50 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.10 2ctj h GLU 56 Cb 1.27 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 30.45 2ctj h GLU 56 CO 0.60 -0.19 0.10 0.41 -1.00 0.00 0.00 179.01 178.93 2ctj n GLY 57 N -1.38 -0.90 0.21 -3.84 0.00 -1.26 0.19 105.19 98.20 2ctj n GLY 57 Ca -0.01 0.70 -0.07 0.00 0.00 0.00 0.00 46.02 46.64 2ctj n GLY 57 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ctj h SER 58 N 0.00 0.58 0.00 1.61 0.87 -1.35 -3.46 113.55 111.79 2ctj h SER 58 Ca 0.49 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 2ctj h SER 58 Cb 1.09 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2ctj h SER 58 CO -0.67 0.44 0.00 0.61 -0.53 0.00 0.00 176.83 176.68 2ctj n GLY 59 N -1.18 1.78 3.68 5.77 0.00 0.51 -4.99 105.19 110.76 2ctj n GLY 59 Ca 0.02 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.57 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 3.44 -2.25 1.61 2.88 -1.26 -4.68 113.62 113.36 2ctj n SER 60 Ca 0.00 0.98 -0.32 0.00 -1.33 0.00 0.00 58.87 58.21 2ctj n SER 60 Cb 0.00 -1.39 0.09 0.00 -0.75 0.00 0.00 64.21 62.16 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 6.24 6.82 -4.03 -3.46 5.68 -1.26 -4.49 116.55 122.05 2ctj n ASP 61 Ca 0.22 -3.77 -0.30 0.00 -0.50 0.00 0.00 54.79 50.44 2ctj n ASP 61 Cb 0.30 -0.88 -0.16 0.00 -1.14 0.00 0.00 41.12 39.24 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 -4.60 1.62 -0.38 2.12 2.01 -1.25 -1.12 115.64 114.04 2ctj s THR 62 Ca 0.62 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.83 2ctj s THR 62 Cb 0.49 -1.52 0.02 0.00 0.01 0.00 0.00 72.50 71.51 2ctj s THR 62 CO 0.01 0.46 0.23 -0.69 -0.69 0.00 0.00 174.62 173.94 2ctj s VAL 63 N 1.47 4.78 -0.28 3.82 1.01 -0.97 -4.68 120.40 125.55 2ctj s VAL 63 Ca 0.05 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 2ctj s VAL 63 Cb -0.13 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2ctj s VAL 63 CO -0.11 -0.23 0.54 -0.69 0.00 0.00 0.00 175.10 174.62 2ctj s VAL 64 N 1.60 5.04 -0.07 2.92 1.01 -1.18 -2.38 120.40 127.33 2ctj s VAL 64 Ca 0.03 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.84 2ctj s VAL 64 Cb -0.19 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2ctj s VAL 64 CO 0.08 0.01 -0.06 -0.63 0.00 0.00 0.00 175.10 174.50 2ctj s ILE 65 N 2.38 3.81 0.10 2.22 1.01 -0.95 0.19 121.20 129.97 2ctj s ILE 65 Ca 0.22 -0.44 0.09 0.00 0.00 0.00 0.00 60.65 60.51 2ctj s ILE 65 Cb -0.15 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 2ctj s ILE 65 CO 0.10 0.60 -0.23 -0.13 0.00 0.00 0.00 174.94 175.27 2ctj s ARG 66 N -0.84 1.28 0.00 2.79 0.52 0.80 -2.10 118.95 121.40 2ctj s ARG 66 Ca 0.13 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.14 2ctj s ARG 66 Cb -0.11 -1.60 0.00 0.00 0.52 0.00 0.00 34.95 33.76 2ctj s ARG 66 CO 0.02 0.38 0.00 0.41 0.02 0.00 0.00 175.30 176.13 2ctj n GLY 67 N 1.16 0.97 3.64 -3.53 0.00 -1.22 -1.40 105.19 104.81 2ctj n GLY 67 Ca -0.19 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 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 -1.40 3.90 0.17 1.61 0.04 -1.26 0.26 135.00 138.31 2ctj s PRO 68 Ca 0.00 1.75 -0.19 0.00 0.04 0.00 0.00 61.00 62.60 2ctj s PRO 68 Cb 0.00 -4.00 0.10 0.00 0.04 0.00 0.00 34.50 30.64 2ctj s PRO 68 CO 0.00 -1.16 1.28 0.45 0.04 0.00 0.00 177.00 177.61 2ctj n SER 69 N 8.04 -0.66 -0.23 6.66 2.88 -1.26 0.84 113.62 129.88 2ctj n SER 69 Ca 0.18 1.45 0.16 0.00 -1.33 0.00 0.00 58.87 59.34 2ctj n SER 69 Cb 0.45 -0.28 0.31 0.00 -0.75 0.00 0.00 64.21 63.94 2ctj n SER 69 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2ctj n SER 70 N -5.15 0.08 -0.01 -3.46 2.88 -1.26 0.61 113.62 107.30 2ctj n SER 70 Ca 0.06 1.18 -0.22 0.00 -1.33 0.00 0.00 58.87 58.56 2ctj n SER 70 Cb 0.29 -0.50 -0.13 0.00 -0.75 0.00 0.00 64.21 63.11 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 0.33 -0.80 -3.46 3.32 0.09 -3.38 116.42 112.53 2ctj h ASP 71 Ca 0.51 -0.83 0.19 0.00 0.02 0.00 0.00 57.03 56.92 2ctj h ASP 71 Cb 1.22 -0.11 -0.13 0.00 0.22 0.00 0.00 39.33 40.53 2ctj h ASP 71 CO -0.60 1.70 0.09 0.58 -1.72 0.00 0.00 179.24 179.29 2ctj h VAL 72 N -0.27 0.34 -0.63 -1.35 2.07 0.22 0.66 116.25 117.28 2ctj h VAL 72 Ca -0.37 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.21 2ctj h VAL 72 Cb 1.80 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 2ctj h VAL 72 CO 0.02 0.03 0.43 1.05 0.02 0.00 0.00 177.57 179.12 2ctj h GLU 73 N 0.15 0.39 0.02 1.57 -0.00 -0.99 0.59 114.58 116.31 2ctj h GLU 73 Ca 0.46 -0.02 -0.08 0.00 -0.00 0.00 0.00 59.36 59.72 2ctj h GLU 73 Cb 0.85 -0.09 0.01 0.00 -0.00 0.00 0.00 28.75 29.52 2ctj h GLU 73 CO -0.65 0.26 -0.31 0.87 -0.00 0.00 0.00 179.01 179.17 2ctj h LYS 74 N 0.40 0.17 -0.66 1.06 1.79 0.06 -2.93 116.57 116.46 2ctj h LYS 74 Ca 0.30 -0.21 0.03 0.00 -2.18 0.00 0.00 60.65 58.58 2ctj h LYS 74 Cb 0.63 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.31 2ctj h LYS 74 CO -0.08 1.00 0.44 0.00 -1.08 0.00 0.00 179.45 179.72 2ctj h ALA 75 N 0.18 1.61 0.21 3.86 0.00 -0.43 -1.46 119.26 123.23 2ctj h ALA 75 Ca -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2ctj h ALA 75 Cb 1.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2ctj h ALA 75 CO 0.06 0.33 -0.10 -0.22 0.00 0.00 0.00 179.25 179.32 2ctj h LYS 76 N 0.81 -0.27 -0.21 0.00 3.64 -0.98 0.40 116.57 119.97 2ctj h LYS 76 Ca 0.26 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.72 2ctj h LYS 76 Cb 0.03 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2ctj h LYS 76 CO -0.07 0.04 0.15 1.57 -2.27 0.00 0.00 179.45 178.87 2ctj h LYS 77 N -0.60 0.01 0.14 1.90 2.10 -1.29 -1.20 116.57 117.63 2ctj h LYS 77 Ca -0.03 -0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.34 2ctj h LYS 77 Cb 0.44 -0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.79 2ctj h LYS 77 CO 0.05 0.01 -1.19 1.96 -2.00 0.00 0.00 179.45 178.27 2ctj h GLN 78 N 0.01 0.56 -0.56 0.07 4.20 -1.10 -3.07 115.11 115.22 2ctj h GLN 78 Ca 0.10 -0.79 -0.01 0.00 0.06 0.00 0.00 58.65 58.00 2ctj h GLN 78 Cb 0.38 0.27 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 2ctj h GLN 78 CO -0.00 1.36 0.29 1.25 -0.67 0.00 0.00 178.83 181.06 2ctj h LEU 79 N 0.15 0.71 0.29 1.46 5.85 -0.05 -2.95 115.31 120.76 2ctj h LEU 79 Ca -0.19 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 2ctj h LEU 79 Cb 1.89 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.74 2ctj h LEU 79 CO 0.23 0.62 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.73 2ctj h LEU 80 N 0.75 -0.33 -0.99 2.25 4.07 -1.35 0.21 115.31 119.93 2ctj h LEU 80 Ca 0.19 0.01 0.37 0.00 0.08 0.00 0.00 57.88 58.53 2ctj h LEU 80 Cb 0.07 0.08 -0.13 0.00 1.08 0.00 0.00 40.66 41.77 2ctj h LEU 80 CO -0.03 -0.23 0.60 1.57 -1.08 0.00 0.00 178.44 179.27 2ctj n HIS 81 N -3.05 0.72 0.05 1.13 -0.00 -1.16 0.26 115.22 113.18 2ctj n HIS 81 Ca -0.05 0.73 -0.08 0.00 0.46 0.00 0.00 57.72 58.78 2ctj n HIS 81 Cb 0.15 -1.14 -0.05 0.00 -0.12 0.00 0.00 29.99 28.83 2ctj n HIS 81 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2ctj h LEU 82 N 0.00 -0.20 -0.88 0.27 3.38 -1.31 -1.71 115.31 114.87 2ctj h LEU 82 Ca 0.70 -0.22 0.18 0.00 0.09 0.00 0.00 57.88 58.63 2ctj h LEU 82 Cb 2.10 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 42.80 2ctj h LEU 82 CO -0.48 0.35 0.44 0.00 0.09 0.00 0.00 178.44 178.84 2ctj h ALA 83 N -0.69 1.37 -0.25 1.53 0.00 0.19 0.16 119.26 121.56 2ctj h ALA 83 Ca -0.02 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2ctj h ALA 83 Cb 0.40 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2ctj h ALA 83 CO 0.04 -0.18 -0.27 1.05 0.00 0.00 0.00 179.25 179.89 2ctj h GLU 84 N 0.55 0.63 0.83 0.00 -0.00 -0.70 -3.24 114.58 112.66 2ctj h GLU 84 Ca 0.51 -0.34 -0.04 0.00 -0.00 0.00 0.00 59.36 59.48 2ctj h GLU 84 Cb 0.82 0.02 0.01 0.00 -0.00 0.00 0.00 28.75 29.59 2ctj h GLU 84 CO -0.42 0.95 -0.40 0.93 -0.00 0.00 0.00 179.01 180.06 2ctj h GLU 85 N 0.35 -1.08 -0.72 1.06 4.39 -0.18 -3.01 114.58 115.39 2ctj h GLU 85 Ca 0.04 0.07 0.17 0.00 0.34 0.00 0.00 59.36 59.98 2ctj h GLU 85 Cb 0.84 0.25 -0.13 0.00 -0.10 0.00 0.00 28.75 29.60 2ctj h GLU 85 CO 0.07 -0.72 -0.08 1.63 -1.16 0.00 0.00 179.01 178.75 2ctj n LYS 86 N -5.11 -0.06 -1.44 2.33 4.01 0.41 -4.23 118.16 114.07 2ctj n LYS 86 Ca -0.14 1.09 -0.46 0.00 -0.51 0.00 0.00 58.31 58.29 2ctj n LYS 86 Cb 0.44 -1.69 -0.11 0.00 -0.51 0.00 0.00 35.03 33.17 2ctj n LYS 86 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2ctj n GLN 87 N -5.07 0.40 -1.67 1.97 6.02 -1.14 -4.83 117.38 113.06 2ctj n GLN 87 Ca 0.14 0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.78 2ctj n GLN 87 Cb 0.46 -2.02 0.00 0.00 1.02 0.00 0.00 30.24 29.70 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 7.31 2.33 -0.05 5.09 -1.04 -1.26 -4.94 114.28 121.72 2ctj n THR 88 Ca 0.54 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.05 61.91 2ctj n THR 88 Cb 0.14 -1.43 -0.12 0.00 -1.82 0.00 0.00 70.33 67.10 2ctj n THR 88 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2ctj h LYS 89 N 2.09 0.01 -6.53 -2.82 3.64 -1.89 -3.43 116.57 107.64 2ctj h LYS 89 Ca -0.46 -0.02 -0.57 0.00 -1.27 0.00 0.00 60.65 58.33 2ctj h LYS 89 Cb 1.30 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 33.06 2ctj h LYS 89 CO 0.60 0.89 0.85 -1.54 -2.27 0.00 0.00 179.45 177.98 2ctj s SER 90 N -6.12 6.67 0.00 4.20 1.04 -1.26 -4.73 113.70 113.49 2ctj s SER 90 Ca -0.18 0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2ctj s SER 90 Cb -0.02 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2ctj s SER 90 CO 0.69 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2ctj n GLY 91 N 4.66 -0.51 0.00 7.32 0.00 -1.26 -4.94 105.19 110.46 2ctj n GLY 91 Ca 0.11 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 45.25 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 0.39 -2.19 1.61 -0.04 -1.26 -4.77 135.00 128.75 2ctj n PRO 92 Ca 0.00 0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 63.09 2ctj n PRO 92 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.20 6.83 0.25 3.54 0.01 -1.26 -5.02 113.70 115.85 2ctj s SER 93 Ca 0.20 2.21 0.10 0.00 1.31 0.00 0.00 55.95 59.77 2ctj s SER 93 Cb 0.10 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2ctj s SER 93 CO 0.20 -0.70 -0.05 -0.94 0.41 0.00 0.00 173.24 172.15 2ctj s SER 94 N 1.65 4.35 0.00 2.44 1.04 -1.26 -5.01 113.70 116.92 2ctj s SER 94 Ca 0.65 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2ctj s SER 94 Cb -0.34 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.04 2ctj s SER 94 CO 0.28 0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.14