#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 -0.13 -0.01 1.61 1.04 -1.26 -5.19 113.70 109.76 2ctj s SER 2 Ca 0.00 -0.31 -0.30 0.00 0.48 0.00 0.00 55.95 55.82 2ctj s SER 2 Cb 0.00 0.37 0.11 0.00 0.10 0.00 0.00 66.02 66.60 2ctj s SER 2 CO 0.00 -0.69 1.14 -0.94 0.98 0.00 0.00 173.24 173.74 2ctj s SER 3 N -2.96 -0.14 -0.35 7.02 1.04 -1.26 -5.06 113.70 111.99 2ctj s SER 3 Ca 0.13 -0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 2ctj s SER 3 Cb 0.01 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 2ctj s SER 3 CO 0.00 -0.48 0.32 0.61 0.98 0.00 0.00 173.24 174.68 2ctj n GLY 4 N -0.38 -0.29 3.13 7.32 0.00 -1.26 -5.07 105.19 108.64 2ctj n GLY 4 Ca -0.06 0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.78 -1.25 -0.05 1.61 0.01 -1.26 -5.16 113.70 104.82 2ctj s SER 5 Ca 0.09 0.71 -0.11 0.00 1.31 0.00 0.00 55.95 57.96 2ctj s SER 5 Cb -0.01 2.04 0.02 0.00 0.21 0.00 0.00 66.02 68.28 2ctj s SER 5 CO 0.29 -0.27 0.26 -0.94 0.41 0.00 0.00 173.24 172.99 2ctj s SER 6 N 2.82 -0.18 -0.49 2.44 1.04 -1.26 -5.08 113.70 112.99 2ctj s SER 6 Ca 0.19 0.21 0.08 0.00 0.48 0.00 0.00 55.95 56.90 2ctj s SER 6 Cb -0.14 0.39 0.36 0.00 0.10 0.00 0.00 66.02 66.72 2ctj s SER 6 CO -0.21 -0.29 0.91 0.61 0.98 0.00 0.00 173.24 175.24 2ctj n GLY 7 N 1.99 4.89 3.36 7.32 0.00 -1.26 -5.01 105.19 116.48 2ctj n GLY 7 Ca -0.18 -2.41 -0.46 0.00 0.00 0.00 0.00 46.02 42.97 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 -3.18 6.56 -0.29 1.61 1.04 -1.26 -4.90 113.70 113.27 2ctj s SER 8 Ca 0.45 -2.21 -0.01 0.00 0.48 0.00 0.00 55.95 54.66 2ctj s SER 8 Cb 0.32 -2.27 0.18 0.00 0.10 0.00 0.00 66.02 64.36 2ctj s SER 8 CO -0.12 -0.81 2.07 2.30 0.98 0.00 0.00 173.24 177.66 2ctj n ILE 9 N 4.74 2.74 -2.04 -1.02 -5.35 -1.26 -4.94 119.36 112.23 2ctj n ILE 9 Ca 0.08 -1.61 -0.30 0.00 -0.27 0.00 0.00 62.75 60.65 2ctj n ILE 9 Cb 0.46 -1.37 0.02 0.00 -1.74 0.00 0.00 39.64 37.00 2ctj n ILE 9 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2ctj s GLN 10 N -1.62 3.37 0.07 6.28 0.74 -1.26 -5.09 119.66 122.15 2ctj s GLN 10 Ca 0.30 0.54 0.09 0.00 0.05 0.00 0.00 55.36 56.34 2ctj s GLN 10 Cb 0.23 -2.13 -0.03 0.00 1.10 0.00 0.00 33.01 32.17 2ctj s GLN 10 CO -0.01 -0.62 -0.23 0.21 -0.55 0.00 0.00 175.29 174.08 2ctj s LYS 11 N -5.13 1.78 -0.10 1.67 2.20 -1.26 -5.13 119.74 113.77 2ctj s LYS 11 Ca 0.54 -1.14 0.02 0.00 -0.36 0.00 0.00 55.97 55.04 2ctj s LYS 11 Cb -0.11 -2.03 0.01 0.00 -1.51 0.00 0.00 37.83 34.19 2ctj s LYS 11 CO 0.51 0.50 -0.16 -0.51 -0.36 0.00 0.00 175.35 175.34 2ctj s ASP 12 N -1.58 2.37 -0.34 1.43 1.01 -1.26 -5.10 116.67 113.21 2ctj s ASP 12 Ca 0.14 -0.42 0.02 0.00 0.71 0.00 0.00 52.55 53.00 2ctj s ASP 12 Cb -0.10 -1.07 0.10 0.00 1.01 0.00 0.00 42.92 42.86 2ctj s ASP 12 CO 0.05 0.03 0.08 -0.76 0.21 0.00 0.00 175.17 174.78 2ctj s LEU 13 N 0.85 3.83 -0.15 1.23 1.02 -1.26 -5.08 118.68 119.13 2ctj s LEU 13 Ca -0.10 -2.01 -0.32 0.00 0.02 0.00 0.00 54.13 51.73 2ctj s LEU 13 Cb -0.15 -1.35 0.13 0.00 0.02 0.00 0.00 46.19 44.84 2ctj s LEU 13 CO 0.01 -0.39 1.09 0.00 0.02 0.00 0.00 176.35 177.08 2ctj s ALA 14 N 1.11 -1.98 -0.05 4.21 0.00 -1.26 -5.07 121.76 118.73 2ctj s ALA 14 Ca 0.11 1.48 -0.23 0.00 0.00 0.00 0.00 51.96 53.32 2ctj s ALA 14 Cb -0.19 -0.27 -0.17 0.00 0.00 0.00 0.00 23.12 22.49 2ctj s ALA 14 CO -0.14 -0.51 0.96 -2.95 0.00 0.00 0.00 175.76 173.12 2ctj h ASN 15 N 2.14 -0.15 -3.40 0.00 -1.07 -1.98 -3.45 115.58 107.67 2ctj h ASN 15 Ca -0.14 -0.40 -0.67 0.00 0.07 0.00 0.00 56.30 55.16 2ctj h ASN 15 Cb 1.19 0.04 -0.15 0.00 -2.07 0.00 0.00 38.32 37.33 2ctj h ASN 15 CO 0.27 0.40 -0.65 -0.63 0.07 0.00 0.00 177.43 176.89 2ctj s ILE 16 N -3.57 4.10 -0.21 6.14 -1.09 -1.26 -4.48 121.20 120.82 2ctj s ILE 16 Ca -0.14 -0.56 0.01 0.00 -2.23 0.00 0.00 60.65 57.73 2ctj s ILE 16 Cb 0.01 -2.80 0.05 0.00 -1.58 0.00 0.00 42.46 38.13 2ctj s ILE 16 CO 0.52 0.42 -0.11 0.00 -1.23 0.00 0.00 174.94 174.55 2ctj s ALA 17 N -1.03 2.13 -0.29 9.38 0.00 -0.05 -4.94 121.76 126.96 2ctj s ALA 17 Ca 0.18 -1.32 -0.24 0.00 0.00 0.00 0.00 51.96 50.58 2ctj s ALA 17 Cb -0.11 -1.34 -0.00 0.00 0.00 0.00 0.00 23.12 21.66 2ctj s ALA 17 CO 0.08 -0.88 0.82 -2.00 0.00 0.00 0.00 175.76 173.78 2ctj s GLU 18 N 1.33 4.03 -0.15 0.00 -6.30 -1.26 -3.78 118.70 112.57 2ctj s GLU 18 Ca -0.03 0.72 -0.04 0.00 -2.50 0.00 0.00 54.97 53.12 2ctj s GLU 18 Cb -0.17 -3.70 0.06 0.00 0.00 0.00 0.00 34.13 30.32 2ctj s GLU 18 CO -0.08 -0.65 0.10 0.08 0.02 0.00 0.00 175.26 174.74 2ctj s VAL 19 N 2.97 -0.13 0.31 3.70 1.01 -0.68 -4.99 120.40 122.59 2ctj s VAL 19 Ca 0.34 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.32 2ctj s VAL 19 Cb -0.14 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 2ctj s VAL 19 CO 0.11 -0.20 0.39 -1.83 0.00 0.00 0.00 175.10 173.58 2ctj s GLU 20 N 2.17 3.07 0.07 2.72 -1.05 -1.26 -1.81 118.70 122.61 2ctj s GLU 20 Ca 0.03 -1.04 0.01 0.00 -0.15 0.00 0.00 54.97 53.82 2ctj s GLU 20 Cb -0.15 -2.74 -0.04 0.00 -0.44 0.00 0.00 34.13 30.76 2ctj s GLU 20 CO -0.08 0.16 -0.05 0.54 0.95 0.00 0.00 175.26 176.77 2ctj s VAL 21 N -2.17 0.45 -0.40 1.83 0.11 0.49 -4.94 120.40 115.77 2ctj s VAL 21 Ca 0.41 -1.69 -0.21 0.00 -2.93 0.00 0.00 61.98 57.56 2ctj s VAL 21 Cb -0.08 -1.35 0.01 0.00 -1.53 0.00 0.00 36.38 33.42 2ctj s VAL 21 CO 0.29 -0.82 0.68 -0.55 -3.33 0.00 0.00 175.10 171.37 2ctj s SER 22 N -2.67 6.41 -0.05 3.54 0.15 -1.26 -0.27 113.70 119.55 2ctj s SER 22 Ca 0.05 -0.02 -0.04 0.00 0.70 0.00 0.00 55.95 56.64 2ctj s SER 22 Cb 0.03 -2.34 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 2ctj s SER 22 CO -0.06 -0.72 0.12 -0.63 1.20 0.00 0.00 173.24 173.15 2ctj s ILE 23 N 2.89 -0.01 0.55 6.45 1.01 0.19 -4.98 121.20 127.30 2ctj s ILE 23 Ca 0.26 0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.74 2ctj s ILE 23 Cb -0.14 -0.18 -0.06 0.00 0.01 0.00 0.00 42.46 42.10 2ctj s ILE 23 CO 0.18 0.01 1.13 -2.16 0.00 0.00 0.00 174.94 174.10 2ctj s PRO 24 N 0.20 3.35 0.35 2.79 0.04 -1.26 -3.52 135.00 136.94 2ctj s PRO 24 Ca -0.01 1.61 0.08 0.00 0.04 0.00 0.00 61.00 62.72 2ctj s PRO 24 Cb -0.02 -2.00 0.64 0.00 0.04 0.00 0.00 34.50 33.15 2ctj s PRO 24 CO -0.01 -0.85 1.82 0.00 0.04 0.00 0.00 177.00 178.00 2ctj h ALA 25 N 1.18 1.33 -0.46 8.56 0.00 -1.90 -2.54 119.26 125.41 2ctj h ALA 25 Ca -0.50 -0.30 0.13 0.00 0.00 0.00 0.00 54.91 54.24 2ctj h ALA 25 Cb 1.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2ctj h ALA 25 CO 0.57 0.46 0.34 1.57 0.00 0.00 0.00 179.25 182.19 2ctj h LYS 26 N 0.21 0.00 0.04 0.00 2.10 -1.99 -1.05 116.57 115.88 2ctj h LYS 26 Ca 0.03 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.37 2ctj h LYS 26 Cb 0.58 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.87 2ctj h LYS 26 CO 0.04 0.00 -1.74 -0.07 -2.00 0.00 0.00 179.45 175.68 2ctj h LEU 27 N 0.00 0.14 -0.95 7.07 3.38 -1.85 -3.36 115.31 119.74 2ctj h LEU 27 Ca 0.22 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 57.99 2ctj h LEU 27 Cb 0.89 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.48 2ctj h LEU 27 CO -0.00 1.25 -0.57 0.45 0.09 0.00 0.00 178.44 179.66 2ctj h HIS 28 N 0.02 -1.84 -0.79 1.13 3.86 -0.89 0.40 115.15 117.05 2ctj h HIS 28 Ca -0.31 0.12 0.03 0.00 -1.16 0.00 0.00 60.37 59.06 2ctj h HIS 28 Cb 2.01 0.93 -0.05 0.00 1.06 0.00 0.00 27.41 31.36 2ctj h HIS 28 CO 0.02 -0.36 0.51 -0.91 0.86 0.00 0.00 177.93 178.05 2ctj h ASN 29 N -0.01 0.84 -0.83 2.45 4.21 -1.75 0.92 115.58 121.41 2ctj h ASN 29 Ca 0.15 -0.00 0.07 0.00 1.21 0.00 0.00 56.30 57.73 2ctj h ASN 29 Cb 0.40 -0.19 -0.06 0.00 -1.12 0.00 0.00 38.32 37.35 2ctj h ASN 29 CO -0.90 0.58 0.50 0.28 -1.29 0.00 0.00 177.43 176.60 2ctj h SER 30 N 0.99 0.77 0.21 5.81 0.02 -0.55 0.32 113.55 121.11 2ctj h SER 30 Ca 0.32 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 2ctj h SER 30 Cb 0.01 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2ctj h SER 30 CO -0.11 0.48 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.89 2ctj h LEU 31 N 0.90 -0.24 -1.46 5.07 3.38 0.21 -3.30 115.31 119.87 2ctj h LEU 31 Ca 0.37 0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.62 2ctj h LEU 31 Cb 0.21 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 2ctj h LEU 31 CO -0.19 0.12 0.68 0.40 0.09 0.00 0.00 178.44 179.54 2ctj h ILE 32 N -0.85 0.53 -0.13 1.22 2.04 -0.82 -3.39 117.51 116.11 2ctj h ILE 32 Ca -0.03 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.73 2ctj h ILE 32 Cb 0.21 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2ctj h ILE 32 CO 0.05 0.06 -0.03 0.61 0.00 0.00 0.00 178.15 178.84 2ctj n GLY 33 N -1.52 -1.58 0.32 5.37 0.00 0.11 -3.18 105.19 104.72 2ctj n GLY 33 Ca 0.24 -1.51 0.30 0.00 0.00 0.00 0.00 46.02 45.06 2ctj n GLY 33 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ctj n THR 34 N -1.74 -0.42 -4.31 2.61 5.66 -1.26 -4.61 114.28 110.21 2ctj n THR 34 Ca -0.00 2.03 -0.21 0.00 -3.05 0.00 0.00 64.05 62.83 2ctj n THR 34 Cb 0.03 -3.27 -0.08 0.00 -1.55 0.00 0.00 70.33 65.46 2ctj n THR 34 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2ctj s LYS 35 N -5.56 1.82 0.00 1.09 -0.14 -1.26 -5.02 119.74 110.66 2ctj s LYS 35 Ca -0.09 -2.07 -0.03 0.00 -1.36 0.00 0.00 55.97 52.42 2ctj s LYS 35 Cb 0.33 0.26 -0.12 0.00 -1.68 0.00 0.00 37.83 36.61 2ctj s LYS 35 CO 0.77 -0.66 2.43 0.41 -0.76 0.00 0.00 175.35 177.55 2ctj n GLY 36 N -0.68 2.41 0.06 -3.33 0.00 -1.26 -3.58 105.19 98.81 2ctj n GLY 36 Ca 0.07 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 2ctj n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2ctj n ARG 37 N 2.16 1.86 0.22 1.61 1.85 -1.26 -3.66 116.66 119.45 2ctj n ARG 37 Ca 0.20 0.01 0.11 0.00 -1.00 0.00 0.00 57.85 57.17 2ctj n ARG 37 Cb 0.60 -1.27 0.38 0.00 -1.05 0.00 0.00 32.46 31.12 2ctj n ARG 37 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2ctj h LEU 38 N 0.00 0.00 0.01 2.89 5.85 -1.60 -3.07 115.31 119.40 2ctj h LEU 38 Ca -0.29 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.03 2ctj h LEU 38 Cb 1.61 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.59 2ctj h LEU 38 CO 0.00 0.15 -2.30 -0.38 -0.34 0.00 0.00 178.44 175.58 2ctj n ILE 39 N -3.22 1.55 -0.05 4.05 2.08 -1.25 -4.32 119.36 118.20 2ctj n ILE 39 Ca 0.02 -0.44 0.23 0.00 0.56 0.00 0.00 62.75 63.12 2ctj n ILE 39 Cb 0.47 -1.73 0.71 0.00 -0.75 0.00 0.00 39.64 38.34 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 -0.53 0.00 0.45 0.38 0.11 -1.65 -1.70 114.38 111.44 2ctj h ARG 40 Ca -0.59 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.47 2ctj h ARG 40 Cb 1.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.81 2ctj h ARG 40 CO -0.22 0.00 -0.22 1.03 0.10 0.00 0.00 179.97 180.66 2ctj h SER 41 N 0.00 -0.52 -0.87 0.08 0.87 -1.72 0.29 113.55 111.68 2ctj h SER 41 Ca 0.30 -0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.88 2ctj h SER 41 Cb 1.23 0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 63.27 2ctj h SER 41 CO -0.00 -0.28 0.55 0.40 -0.53 0.00 0.00 176.83 176.96 2ctj h ILE 42 N -0.72 1.07 -0.22 2.23 2.04 -1.52 0.13 117.51 120.52 2ctj h ILE 42 Ca -0.06 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 2ctj h ILE 42 Cb 0.52 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2ctj h ILE 42 CO 0.10 0.19 -0.21 0.24 0.00 0.00 0.00 178.15 178.47 2ctj h MET 43 N 1.01 0.38 0.26 2.37 2.86 -1.32 -1.37 114.93 119.13 2ctj h MET 43 Ca 0.37 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 2ctj h MET 43 Cb 0.13 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2ctj h MET 43 CO -0.16 0.58 -0.13 1.49 1.06 0.00 0.00 176.91 179.75 2ctj h GLU 44 N 0.35 -0.34 -0.96 1.72 4.57 0.22 0.85 114.58 120.99 2ctj h GLU 44 Ca 0.06 0.02 0.19 0.00 -1.18 0.00 0.00 59.36 58.45 2ctj h GLU 44 Cb 0.56 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.14 2ctj h GLU 44 CO 0.04 -0.22 0.61 1.05 -1.18 0.00 0.00 179.01 179.30 2ctj h GLU 45 N -1.03 0.60 0.34 1.92 4.11 -0.85 -2.13 114.58 117.54 2ctj h GLU 45 Ca -0.04 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 2ctj h GLU 45 Cb 0.27 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2ctj h GLU 45 CO 0.06 0.40 -0.16 0.00 0.07 0.00 0.00 179.01 179.37 2ctj n GLY 47 N -0.23 -0.37 0.00 0.00 0.00 -0.77 -4.82 105.19 99.00 2ctj n GLY 47 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 3.72 -0.02 0.00 0.29 -4.83 105.19 104.35 2ctj n GLY 48 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2ctj n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ctj s VAL 49 N 0.00 2.52 -0.23 1.61 -7.23 -1.22 -4.99 120.40 110.86 2ctj s VAL 49 Ca 0.00 0.17 0.02 0.00 -1.81 0.00 0.00 61.98 60.36 2ctj s VAL 49 Cb 0.00 -2.68 0.05 0.00 0.56 0.00 0.00 36.38 34.30 2ctj s VAL 49 CO 0.00 -0.22 -0.13 -1.00 -0.31 0.00 0.00 175.10 173.44 2ctj s HIS 50 N -2.97 3.03 0.00 2.82 0.09 0.13 -4.85 115.29 113.55 2ctj s HIS 50 Ca 0.64 -2.06 -0.16 0.00 -0.00 0.00 0.00 55.06 53.48 2ctj s HIS 50 Cb -0.18 -1.89 -0.06 0.00 -0.00 0.00 0.00 32.58 30.46 2ctj s HIS 50 CO 0.57 -0.85 0.45 0.42 -0.00 0.00 0.00 174.74 175.33 2ctj s ILE 51 N 1.19 4.98 -0.25 0.60 1.01 -1.26 -0.80 121.20 126.67 2ctj s ILE 51 Ca -0.04 0.94 -0.05 0.00 0.00 0.00 0.00 60.65 61.49 2ctj s ILE 51 Cb -0.18 -3.77 -0.00 0.00 0.01 0.00 0.00 42.46 38.53 2ctj s ILE 51 CO -0.08 0.54 0.00 -1.00 0.00 0.00 0.00 174.94 174.41 2ctj s HIS 52 N -0.86 3.04 -0.17 3.97 3.76 0.17 -5.00 115.29 120.20 2ctj s HIS 52 Ca 0.25 -0.97 -0.03 0.00 -0.15 0.00 0.00 55.06 54.16 2ctj s HIS 52 Cb -0.17 -2.16 -0.02 0.00 1.11 0.00 0.00 32.58 31.34 2ctj s HIS 52 CO 0.14 -0.56 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.35 2ctj s PHE 53 N 1.48 2.94 0.81 1.40 0.08 -1.26 -2.72 117.98 120.71 2ctj s PHE 53 Ca 0.04 -0.59 -0.11 0.00 0.12 0.00 0.00 56.93 56.39 2ctj s PHE 53 Cb -0.16 -1.98 0.08 0.00 -0.57 0.00 0.00 43.02 40.40 2ctj s PHE 53 CO -0.01 -0.25 1.09 -1.25 -0.10 0.00 0.00 175.22 174.70 2ctj s PRO 54 N 0.73 1.97 -0.03 0.24 0.04 -1.26 -5.01 135.00 131.68 2ctj s PRO 54 Ca -0.03 1.07 -0.23 0.00 0.04 0.00 0.00 61.00 61.85 2ctj s PRO 54 Cb -0.15 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2ctj s PRO 54 CO 0.02 -1.81 0.69 0.08 0.04 0.00 0.00 177.00 176.02 2ctj s VAL 55 N -2.91 4.95 0.18 -0.36 1.01 -1.26 -4.96 120.40 117.06 2ctj s VAL 55 Ca 0.62 1.44 -0.20 0.00 0.00 0.00 0.00 61.98 63.83 2ctj s VAL 55 Cb -0.17 -4.03 0.12 0.00 0.00 0.00 0.00 36.38 32.30 2ctj s VAL 55 CO 0.56 0.31 1.59 -0.33 0.00 0.00 0.00 175.10 177.24 2ctj h GLU 56 N 6.29 -0.16 -0.78 2.72 3.07 -1.95 -1.54 114.58 122.23 2ctj h GLU 56 Ca -0.42 0.01 0.12 0.00 -0.50 0.00 0.00 59.36 58.57 2ctj h GLU 56 Cb 1.20 0.04 -0.13 0.00 -0.84 0.00 0.00 28.75 29.02 2ctj h GLU 56 CO 0.73 -0.11 -0.30 0.41 -1.40 0.00 0.00 179.01 178.35 2ctj n GLY 57 N -1.43 -1.60 0.04 -3.84 0.00 -1.26 -1.55 105.19 95.54 2ctj n GLY 57 Ca 0.04 0.88 -0.01 0.00 0.00 0.00 0.00 46.02 46.92 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 -0.09 0.00 1.61 0.87 -1.69 -3.48 113.55 110.77 2ctj h SER 58 Ca 0.28 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2ctj h SER 58 Cb 0.47 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2ctj h SER 58 CO -0.78 -0.05 0.00 0.61 -0.53 0.00 0.00 176.83 176.08 2ctj n GLY 59 N -1.04 1.00 3.45 5.77 0.00 -0.60 -5.11 105.19 108.66 2ctj n GLY 59 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.95 5.59 -0.50 1.61 0.15 -1.26 -4.97 113.70 112.36 2ctj s SER 60 Ca 0.00 -0.48 -0.02 0.00 0.70 0.00 0.00 55.95 56.15 2ctj s SER 60 Cb 0.00 -2.01 0.31 0.00 -1.71 0.00 0.00 66.02 62.60 2ctj s SER 60 CO 0.00 -0.18 2.08 0.47 1.20 0.00 0.00 173.24 176.81 2ctj n ASP 61 N 4.99 7.05 -4.33 5.45 9.92 -1.26 -4.64 116.55 133.73 2ctj n ASP 61 Ca -0.14 -3.42 -0.27 0.00 -0.53 0.00 0.00 54.79 50.43 2ctj n ASP 61 Cb 0.49 -1.04 -0.13 0.00 -0.64 0.00 0.00 41.12 39.80 2ctj n ASP 61 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2ctj s THR 62 N -3.49 1.98 -0.26 -3.53 2.01 -1.23 0.55 115.64 111.68 2ctj s THR 62 Ca 0.48 -1.53 -0.01 0.00 0.31 0.00 0.00 61.69 60.94 2ctj s THR 62 Cb 0.37 -1.75 0.08 0.00 0.01 0.00 0.00 72.50 71.21 2ctj s THR 62 CO -0.04 0.12 0.05 -0.69 -0.69 0.00 0.00 174.62 173.36 2ctj s VAL 63 N -0.99 0.90 -0.13 3.82 1.01 0.63 -4.23 120.40 121.41 2ctj s VAL 63 Ca 0.10 -1.10 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 2ctj s VAL 63 Cb -0.10 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2ctj s VAL 63 CO 0.04 -0.41 0.61 -0.69 0.00 0.00 0.00 175.10 174.65 2ctj s VAL 64 N 1.65 5.08 -0.06 2.92 1.01 -1.10 -0.38 120.40 129.52 2ctj s VAL 64 Ca 0.03 1.21 0.03 0.00 0.00 0.00 0.00 61.98 63.25 2ctj s VAL 64 Cb -0.17 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2ctj s VAL 64 CO -0.16 0.23 -0.14 -0.63 0.00 0.00 0.00 175.10 174.40 2ctj s ILE 65 N 1.12 3.11 0.10 2.22 1.01 -0.75 0.41 121.20 128.41 2ctj s ILE 65 Ca 0.31 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.35 2ctj s ILE 65 Cb -0.16 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2ctj s ILE 65 CO 0.13 0.59 -0.23 -0.13 0.00 0.00 0.00 174.94 175.30 2ctj s ARG 66 N -0.66 1.28 0.00 2.79 0.52 0.02 -1.69 118.95 121.21 2ctj s ARG 66 Ca 0.10 -1.20 0.00 0.00 -0.52 0.00 0.00 55.73 54.11 2ctj s ARG 66 Cb -0.11 -1.61 0.00 0.00 0.52 0.00 0.00 34.95 33.75 2ctj s ARG 66 CO 0.01 0.38 0.00 0.41 0.02 0.00 0.00 175.30 176.12 2ctj n GLY 67 N 1.15 0.82 3.66 -3.53 0.00 -1.25 -0.69 105.19 105.34 2ctj n GLY 67 Ca -0.19 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.41 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 -1.53 4.17 0.12 1.61 0.04 -1.26 -0.87 135.00 137.27 2ctj s PRO 68 Ca 0.00 1.98 -0.23 0.00 0.04 0.00 0.00 61.00 62.79 2ctj s PRO 68 Cb 0.00 -3.92 -0.05 0.00 0.04 0.00 0.00 34.50 30.57 2ctj s PRO 68 CO 0.00 -0.84 1.18 -1.13 0.04 0.00 0.00 177.00 176.26 2ctj n SER 69 N 7.07 -0.79 -0.24 6.66 3.41 -1.26 0.11 113.62 128.58 2ctj n SER 69 Ca 0.16 1.36 0.17 0.00 -0.26 0.00 0.00 58.87 60.31 2ctj n SER 69 Cb 0.44 -0.19 0.32 0.00 -0.26 0.00 0.00 64.21 64.52 2ctj n SER 69 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ctj n SER 70 N -4.87 0.09 0.03 4.04 7.64 -1.26 0.11 113.62 119.39 2ctj n SER 70 Ca 0.01 1.22 -0.21 0.00 1.01 0.00 0.00 58.87 60.91 2ctj n SER 70 Cb 0.19 -0.52 -0.14 0.00 -1.01 0.00 0.00 64.21 62.73 2ctj n SER 70 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2ctj h ASP 71 N 0.00 0.43 0.12 6.43 1.82 0.49 -3.33 116.42 122.37 2ctj h ASP 71 Ca 0.53 -0.89 0.02 0.00 -0.39 0.00 0.00 57.03 56.30 2ctj h ASP 71 Cb 1.27 -0.14 -0.05 0.00 0.68 0.00 0.00 39.33 41.10 2ctj h ASP 71 CO -0.62 1.52 -0.45 0.58 -1.61 0.00 0.00 179.24 178.66 2ctj h VAL 72 N -0.33 0.11 -0.90 2.25 2.07 0.30 0.29 116.25 120.03 2ctj h VAL 72 Ca -0.24 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.54 2ctj h VAL 72 Cb 1.72 0.11 -0.14 0.00 -1.52 0.00 0.00 31.29 31.45 2ctj h VAL 72 CO 0.10 0.00 0.30 1.05 0.02 0.00 0.00 177.57 179.04 2ctj h GLU 73 N -0.68 0.23 -0.23 1.57 4.11 -0.75 0.35 114.58 119.17 2ctj h GLU 73 Ca 0.02 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 2ctj h GLU 73 Cb 0.71 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2ctj h GLU 73 CO -0.26 0.15 -0.33 0.87 0.07 0.00 0.00 179.01 179.51 2ctj h LYS 74 N 0.23 0.62 0.00 1.06 1.57 -1.42 -2.36 116.57 116.27 2ctj h LYS 74 Ca 0.59 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 2ctj h LYS 74 Cb 1.22 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 2ctj h LYS 74 CO -0.65 0.97 -0.10 0.00 -0.57 0.00 0.00 179.45 179.11 2ctj h ALA 75 N 0.64 1.84 0.08 3.86 0.00 0.26 -1.02 119.26 124.92 2ctj h ALA 75 Ca 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ctj h ALA 75 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2ctj h ALA 75 CO 0.08 0.12 -0.04 -0.22 0.00 0.00 0.00 179.25 179.19 2ctj h LYS 76 N 0.00 -0.11 0.00 0.00 3.64 -0.37 -2.34 116.57 117.40 2ctj h LYS 76 Ca -0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ctj h LYS 76 Cb 0.17 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2ctj h LYS 76 CO 0.01 0.44 -0.01 1.57 -2.27 0.00 0.00 179.45 179.19 2ctj h LYS 77 N -0.83 0.00 -0.00 1.90 2.10 -1.26 -1.27 116.57 117.20 2ctj h LYS 77 Ca -0.01 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.38 2ctj h LYS 77 Cb 0.60 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.94 2ctj h LYS 77 CO 0.02 0.01 -1.02 1.96 -2.00 0.00 0.00 179.45 178.42 2ctj h GLN 78 N 0.00 0.66 -0.36 0.07 4.20 -1.21 -2.84 115.11 115.62 2ctj h GLN 78 Ca -0.00 -0.71 -0.10 0.00 0.06 0.00 0.00 58.65 57.91 2ctj h GLN 78 Cb 0.02 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2ctj h GLN 78 CO 0.00 1.29 -0.15 1.25 -0.67 0.00 0.00 178.83 180.55 2ctj h LEU 79 N 0.37 0.76 -0.18 1.46 5.85 -0.77 -2.47 115.31 120.33 2ctj h LEU 79 Ca -0.12 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2ctj h LEU 79 Cb 1.67 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 2ctj h LEU 79 CO 0.20 0.98 0.12 -0.07 -0.34 0.00 0.00 178.44 179.33 2ctj h LEU 80 N 0.53 0.22 0.43 2.25 4.07 -1.34 0.17 115.31 121.64 2ctj h LEU 80 Ca 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 2ctj h LEU 80 Cb 0.68 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 2ctj h LEU 80 CO 0.05 0.18 -0.36 -0.74 -1.08 0.00 0.00 178.44 176.49 2ctj h HIS 81 N 0.23 -0.97 0.49 1.13 2.76 -1.49 -2.79 115.15 114.51 2ctj h HIS 81 Ca 0.07 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 2ctj h HIS 81 Cb 0.00 0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 2ctj h HIS 81 CO -0.06 -0.52 -0.33 -0.07 -1.30 0.00 0.00 177.93 175.65 2ctj h LEU 82 N -0.79 -0.86 -0.72 0.26 3.38 -1.38 -0.83 115.31 114.38 2ctj h LEU 82 Ca -0.04 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2ctj h LEU 82 Cb 0.69 0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 2ctj h LEU 82 CO -0.02 -0.51 -0.32 0.00 0.09 0.00 0.00 178.44 177.67 2ctj n ALA 83 N -2.57 -0.20 -0.01 1.53 0.00 0.60 0.16 120.51 120.02 2ctj n ALA 83 Ca -0.11 0.69 -0.13 0.00 0.00 0.00 0.00 53.44 53.89 2ctj n ALA 83 Cb 0.36 -0.26 -0.09 0.00 0.00 0.00 0.00 19.45 19.46 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 0.06 -0.64 0.00 4.39 -1.33 -3.24 114.58 113.82 2ctj h GLU 84 Ca 0.21 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.96 2ctj h GLU 84 Cb 0.39 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.94 2ctj h GLU 84 CO -0.71 0.43 -0.51 0.93 -1.16 0.00 0.00 179.01 177.99 2ctj h GLU 85 N -0.31 -0.22 -0.73 2.33 5.08 0.12 -0.98 114.58 119.87 2ctj h GLU 85 Ca 0.01 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 2ctj h GLU 85 Cb 0.41 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.59 2ctj h GLU 85 CO 0.00 -0.14 -0.44 0.87 -1.00 0.00 0.00 179.01 178.30 2ctj h LYS 86 N -0.23 -0.14 -4.90 2.33 6.56 -0.94 -3.42 116.57 115.84 2ctj h LYS 86 Ca 0.15 0.01 -0.50 0.00 -1.06 0.00 0.00 60.65 59.25 2ctj h LYS 86 Cb 0.54 0.03 0.14 0.00 -0.57 0.00 0.00 32.23 32.37 2ctj h LYS 86 CO -0.73 -0.09 -0.88 1.04 -2.06 0.00 0.00 179.45 176.72 2ctj n GLN 87 N -5.40 0.00 -1.98 3.15 6.02 -0.37 -4.83 117.38 113.97 2ctj n GLN 87 Ca 0.04 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.66 2ctj n GLN 87 Cb 0.35 -0.82 0.03 0.00 1.02 0.00 0.00 30.24 30.82 2ctj n GLN 87 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2ctj s THR 88 N -1.55 2.52 -0.10 5.09 -4.23 -1.26 -4.97 115.64 111.14 2ctj s THR 88 Ca 0.47 0.36 -0.25 0.00 -1.18 0.00 0.00 61.69 61.10 2ctj s THR 88 Cb -0.45 -3.17 -0.21 0.00 1.34 0.00 0.00 72.50 70.01 2ctj s THR 88 CO 0.53 -0.03 0.80 0.50 -0.54 0.00 0.00 174.62 175.87 2ctj h LYS 89 N 1.33 -0.03 -6.00 3.99 3.64 -1.89 -3.43 116.57 114.18 2ctj h LYS 89 Ca -0.50 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.27 2ctj h LYS 89 Cb 1.29 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2ctj h LYS 89 CO 0.57 0.71 1.46 0.45 -2.27 0.00 0.00 179.45 180.37 2ctj n SER 90 N -4.71 3.03 -3.74 4.20 2.88 -1.26 -4.86 113.62 109.16 2ctj n SER 90 Ca -0.08 0.28 0.02 0.00 -1.33 0.00 0.00 58.87 57.76 2ctj n SER 90 Cb 0.36 -1.49 0.01 0.00 -0.75 0.00 0.00 64.21 62.34 2ctj n SER 90 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ctj s GLY 91 N 7.93 -0.24 0.19 0.46 0.00 -1.26 -5.15 107.32 109.25 2ctj s GLY 91 Ca 1.02 0.31 -0.30 0.00 0.00 0.00 0.00 44.72 45.75 2ctj s GLY 91 CO 0.39 3.49 1.31 2.56 0.00 0.00 0.00 173.10 180.84 2ctj s PRO 92 N -2.15 4.39 -1.12 2.90 0.04 -1.26 -4.93 135.00 132.87 2ctj s PRO 92 Ca 0.24 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 63.11 2ctj s PRO 92 Cb 0.02 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.38 2ctj s PRO 92 CO -0.02 -0.26 1.68 -1.12 0.04 0.00 0.00 177.00 177.33 2ctj s SER 93 N 0.38 6.21 -0.00 6.66 0.01 -1.26 -4.94 113.70 120.76 2ctj s SER 93 Ca 0.57 -1.70 0.07 0.00 1.31 0.00 0.00 55.95 56.20 2ctj s SER 93 Cb -0.36 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.27 2ctj s SER 93 CO 0.38 -1.79 -0.22 -0.55 0.41 0.00 0.00 173.24 171.47 2ctj s SER 94 N 5.39 3.46 0.00 2.44 0.15 -1.26 -5.35 113.70 118.53 2ctj s SER 94 Ca 0.55 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2ctj s SER 94 Cb 0.00 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 2ctj s SER 94 CO 0.00 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.35