#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0g s SER 2 N 0.00 5.03 0.12 1.61 0.01 -1.26 -5.05 113.70 114.15 1j0g s SER 2 Ca 0.00 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.45 1j0g s SER 2 Cb 0.00 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 65.29 1j0g s SER 2 CO 0.00 -1.38 0.00 -0.62 0.41 0.00 0.00 173.24 171.65 1j0g n GLU 3 N -2.63 0.00 -2.88 12.44 4.71 -1.26 -5.15 120.64 125.88 1j0g n GLU 3 Ca 0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.16 1j0g n GLU 3 Cb 0.60 -0.43 -0.00 0.00 -1.01 0.00 0.00 31.44 30.59 1j0g n GLU 3 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1j0g n GLY 4 N 3.20 2.05 0.22 0.62 0.00 -1.26 -4.88 105.19 105.13 1j0g n GLY 4 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1j0g n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0g n ALA 5 N -1.58 0.00 -0.73 4.61 0.00 -1.26 -5.11 120.51 116.44 1j0g n ALA 5 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 1j0g n ALA 5 Cb 0.36 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.95 1j0g n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g n ALA 6 N -3.04 -4.27 -3.07 0.00 0.00 -1.26 -4.83 120.51 104.03 1j0g n ALA 6 Ca 0.00 -1.31 -0.44 0.00 0.00 0.00 0.00 53.44 51.69 1j0g n ALA 6 Cb 0.00 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 1j0g n ALA 6 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1j0g s THR 7 N -2.17 5.26 -0.30 0.00 2.01 -1.26 -4.70 115.64 114.49 1j0g s THR 7 Ca 0.50 -2.60 -0.12 0.00 0.31 0.00 0.00 61.69 59.77 1j0g s THR 7 Cb -0.06 -4.77 0.02 0.00 0.01 0.00 0.00 72.50 67.70 1j0g s THR 7 CO 0.63 -1.44 0.29 0.80 -0.69 0.00 0.00 174.62 174.22 1j0g n MET 8 N 4.96 -2.14 0.00 4.92 1.56 -1.26 -5.03 117.12 120.12 1j0g n MET 8 Ca 0.29 1.87 0.00 0.00 -0.27 0.00 0.00 57.70 59.59 1j0g n MET 8 Cb 0.44 -3.75 0.00 0.00 2.15 0.00 0.00 33.22 32.06 1j0g n MET 8 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1j0g n SER 9 N 0.41 0.00 -4.25 6.12 7.64 -1.26 -5.18 113.62 117.10 1j0g n SER 9 Ca 0.01 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.75 1j0g n SER 9 Cb 0.38 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.48 1j0g n SER 9 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1j0g s LYS 10 N 0.00 1.15 -0.01 1.43 1.02 -1.26 -3.87 119.74 118.20 1j0g s LYS 10 Ca 0.00 -1.56 0.02 0.00 0.02 0.00 0.00 55.97 54.44 1j0g s LYS 10 Cb 0.00 -0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.05 1j0g s LYS 10 CO 0.00 -0.15 -0.05 0.14 -0.92 0.00 0.00 175.35 174.37 1j0g s VAL 11 N -3.67 0.44 -0.07 3.17 -7.23 -0.01 -4.83 120.40 108.20 1j0g s VAL 11 Ca 0.26 -0.20 0.03 0.00 -1.81 0.00 0.00 61.98 60.25 1j0g s VAL 11 Cb 0.06 -0.40 -0.02 0.00 0.56 0.00 0.00 36.38 36.58 1j0g s VAL 11 CO 0.05 0.14 -0.14 -0.94 -0.31 0.00 0.00 175.10 173.91 1j0g s SER 12 N 0.10 4.06 -0.36 4.85 1.04 -1.26 -2.08 113.70 120.05 1j0g s SER 12 Ca -0.01 -0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.11 1j0g s SER 12 Cb -0.05 -1.05 0.03 0.00 0.10 0.00 0.00 66.02 65.05 1j0g s SER 12 CO -0.00 0.30 0.17 -0.36 0.98 0.00 0.00 173.24 174.33 1j0g s PHE 13 N -0.48 3.24 -0.77 5.02 0.08 -0.99 -4.76 117.98 119.33 1j0g s PHE 13 Ca 0.06 -1.07 -0.20 0.00 0.12 0.00 0.00 56.93 55.84 1j0g s PHE 13 Cb -0.12 -2.38 0.10 0.00 -0.57 0.00 0.00 43.02 40.05 1j0g s PHE 13 CO 0.02 -0.66 0.99 0.21 -0.10 0.00 0.00 175.22 175.68 1j0g s LYS 14 N 1.51 3.32 0.09 0.44 2.20 -1.02 -3.43 119.74 122.85 1j0g s LYS 14 Ca 0.01 -1.33 0.07 0.00 -0.36 0.00 0.00 55.97 54.36 1j0g s LYS 14 Cb -0.19 -4.53 -0.04 0.00 -1.51 0.00 0.00 37.83 31.56 1j0g s LYS 14 CO 0.05 -1.75 -0.11 0.42 -0.36 0.00 0.00 175.35 173.61 1j0g s ILE 15 N 3.20 3.31 -0.06 5.43 1.01 -1.20 -1.99 121.20 130.89 1j0g s ILE 15 Ca 0.25 -1.23 -0.00 0.00 0.00 0.00 0.00 60.65 59.67 1j0g s ILE 15 Cb -0.13 -2.52 0.02 0.00 0.01 0.00 0.00 42.46 39.84 1j0g s ILE 15 CO 0.01 0.16 -0.02 -0.89 0.00 0.00 0.00 174.94 174.19 1j0g s THR 16 N -1.17 0.45 0.44 2.92 2.01 -1.24 -2.46 115.64 116.60 1j0g s THR 16 Ca 0.20 -0.01 -0.23 0.00 0.31 0.00 0.00 61.69 61.96 1j0g s THR 16 Cb -0.11 -0.54 -0.10 0.00 0.01 0.00 0.00 72.50 71.76 1j0g s THR 16 CO 0.12 0.24 0.97 -0.11 -0.69 0.00 0.00 174.62 175.14 1j0g n LEU 17 N 4.53 2.51 -3.84 4.42 7.94 -1.09 -4.08 117.00 127.40 1j0g n LEU 17 Ca -0.17 1.00 -0.30 0.00 -1.11 0.00 0.00 56.01 55.42 1j0g n LEU 17 Cb 0.50 -1.34 -0.15 0.00 0.53 0.00 0.00 43.42 42.96 1j0g n LEU 17 CO 0.18 -1.64 -0.34 0.42 -1.11 0.00 0.00 177.39 174.89 1j0g s THR 18 N -1.32 1.35 0.00 1.96 -4.23 -1.26 -4.61 115.64 107.53 1j0g s THR 18 Ca 0.65 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1j0g s THR 18 Cb -0.54 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1j0g s THR 18 CO 0.56 -0.57 0.00 -1.54 -0.54 0.00 0.00 174.62 172.53 1j0g n SER 19 N 4.66 0.00 -4.97 3.99 3.41 -1.26 -4.91 113.62 114.54 1j0g n SER 19 Ca -0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.40 1j0g n SER 19 Cb 0.42 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1j0g n SER 19 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1j0g s ASP 20 N 0.00 5.33 0.95 4.04 1.01 -1.26 -5.12 116.67 121.62 1j0g s ASP 20 Ca 0.00 -0.27 0.00 0.00 0.71 0.00 0.00 52.55 52.99 1j0g s ASP 20 Cb 0.00 -0.62 0.00 0.00 1.01 0.00 0.00 42.92 43.31 1j0g s ASP 20 CO 0.00 -1.07 0.00 -0.81 0.21 0.00 0.00 175.17 173.50 1j0g n PRO 21 N -2.18 -0.42 -4.05 8.23 -0.04 -1.26 -4.38 135.00 130.89 1j0g n PRO 21 Ca 0.09 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.16 1j0g n PRO 21 Cb 0.60 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.06 1j0g n PRO 21 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1j0g n ARG 22 N -1.18 -0.41 -1.30 0.54 1.74 -1.26 -4.39 116.66 110.40 1j0g n ARG 22 Ca 0.00 -0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.75 1j0g n ARG 22 Cb 0.00 -2.17 -0.14 0.00 -1.02 0.00 0.00 32.46 29.13 1j0g n ARG 22 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1j0g n LEU 23 N -4.48 -0.04 -4.76 0.55 4.32 -1.26 -4.80 117.00 106.53 1j0g n LEU 23 Ca -0.13 0.03 -0.40 0.00 -0.02 0.00 0.00 56.01 55.49 1j0g n LEU 23 Cb 0.51 -0.73 -0.04 0.00 -1.62 0.00 0.00 43.42 41.53 1j0g n LEU 23 CO 0.66 -0.74 0.78 -2.16 -1.22 0.00 0.00 177.39 174.71 1j0g s PRO 24 N 7.45 4.66 0.17 3.23 0.04 -1.26 -4.89 135.00 144.39 1j0g s PRO 24 Ca 1.17 1.77 0.10 0.00 0.04 0.00 0.00 61.00 64.08 1j0g s PRO 24 Cb -1.02 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.27 1j0g s PRO 24 CO 0.44 0.23 -0.19 1.52 0.04 0.00 0.00 177.00 179.04 1j0g s TYR 25 N -1.09 2.44 0.03 0.56 -0.85 -1.26 -2.67 117.35 114.51 1j0g s TYR 25 Ca 0.44 -0.30 -0.03 0.00 -0.52 0.00 0.00 57.07 56.66 1j0g s TYR 25 Cb -0.31 -1.23 -0.02 0.00 0.38 0.00 0.00 41.96 40.78 1j0g s TYR 25 CO 0.40 0.47 0.04 -1.59 -1.52 0.00 0.00 175.55 173.34 1j0g s LYS 26 N -2.57 0.52 -0.33 -3.49 0.00 -1.03 -5.02 119.74 107.82 1j0g s LYS 26 Ca 0.21 -0.80 0.01 0.00 0.00 0.00 0.00 55.97 55.39 1j0g s LYS 26 Cb -0.09 0.19 0.10 0.00 0.00 0.00 0.00 37.83 38.04 1j0g s LYS 26 CO 0.11 -0.11 0.10 0.08 0.00 0.00 0.00 175.35 175.52 1j0g s VAL 27 N -2.54 1.39 -0.38 1.79 1.01 -1.26 -3.27 120.40 117.14 1j0g s VAL 27 Ca -0.06 -1.82 -0.20 0.00 0.00 0.00 0.00 61.98 59.91 1j0g s VAL 27 Cb -0.02 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1j0g s VAL 27 CO -0.05 -0.67 0.62 -0.76 0.00 0.00 0.00 175.10 174.25 1j0g s LEU 28 N 1.27 4.33 -0.11 3.92 1.43 -1.22 -4.87 118.68 123.42 1j0g s LEU 28 Ca 0.11 -0.01 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 1j0g s LEU 28 Cb -0.18 -2.75 -0.05 0.00 0.03 0.00 0.00 46.19 43.24 1j0g s LEU 28 CO -0.18 -0.63 0.36 -0.94 0.23 0.00 0.00 176.35 175.19 1j0g s SER 29 N 1.85 6.58 0.10 2.29 1.04 -1.26 -2.34 113.70 121.96 1j0g s SER 29 Ca 0.23 0.68 -0.21 0.00 0.48 0.00 0.00 55.95 57.14 1j0g s SER 29 Cb -0.14 -2.22 0.05 0.00 0.10 0.00 0.00 66.02 63.81 1j0g s SER 29 CO 0.16 0.13 0.51 0.68 0.98 0.00 0.00 173.24 175.70 1j0g s VAL 30 N 0.13 0.03 -0.11 5.02 -7.23 -0.88 -4.99 120.40 112.37 1j0g s VAL 30 Ca 0.21 -0.28 -0.30 0.00 -1.81 0.00 0.00 61.98 59.80 1j0g s VAL 30 Cb -0.14 -1.04 -0.02 0.00 0.56 0.00 0.00 36.38 35.73 1j0g s VAL 30 CO 0.08 -0.15 1.25 -2.16 -0.31 0.00 0.00 175.10 173.80 1j0g s PRO 31 N -3.22 4.28 0.29 4.82 0.04 -1.26 -0.83 135.00 139.12 1j0g s PRO 31 Ca -0.01 1.69 0.03 0.00 0.04 0.00 0.00 61.00 62.74 1j0g s PRO 31 Cb 0.00 -3.68 0.73 0.00 0.04 0.00 0.00 34.50 31.59 1j0g s PRO 31 CO -0.08 -0.60 1.43 -0.85 0.04 0.00 0.00 177.00 176.94 1j0g n GLU 32 N 6.02 -0.07 -0.38 4.56 0.28 -1.25 0.21 120.64 130.00 1j0g n GLU 32 Ca 0.13 1.36 0.35 0.00 -0.16 0.00 0.00 57.16 58.84 1j0g n GLU 32 Cb 0.45 -2.18 0.62 0.00 1.43 0.00 0.00 31.44 31.76 1j0g n GLU 32 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1j0g h SER 33 N 0.00 0.29 -3.98 -1.84 4.64 -1.90 -2.04 113.55 108.72 1j0g h SER 33 Ca 0.57 0.21 -0.50 0.00 -0.47 0.00 0.00 61.79 61.60 1j0g h SER 33 Cb 1.20 0.22 0.05 0.00 -0.31 0.00 0.00 62.40 63.56 1j0g h SER 33 CO -0.85 -0.35 0.48 -0.89 -0.87 0.00 0.00 176.83 174.36 1j0g s THR 34 N -5.43 3.19 0.71 2.95 2.01 0.56 -4.59 115.64 115.03 1j0g s THR 34 Ca -0.08 0.93 -0.11 0.00 0.31 0.00 0.00 61.69 62.73 1j0g s THR 34 Cb 0.33 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 69.37 1j0g s THR 34 CO 0.80 0.02 1.06 -2.16 -0.69 0.00 0.00 174.62 173.65 1j0g s PRO 35 N -2.56 2.84 0.02 4.92 0.04 -1.26 0.15 135.00 139.16 1j0g s PRO 35 Ca 0.61 0.92 0.26 0.00 0.04 0.00 0.00 61.00 62.82 1j0g s PRO 35 Cb -0.28 -1.98 0.62 0.00 0.04 0.00 0.00 34.50 32.90 1j0g s PRO 35 CO 0.35 -1.16 1.50 0.34 0.04 0.00 0.00 177.00 178.07 1j0g n PHE 36 N -3.16 0.10 -0.04 0.56 -0.00 -1.26 -3.80 117.46 109.86 1j0g n PHE 36 Ca 0.07 0.03 0.01 0.00 -0.00 0.00 0.00 57.45 57.57 1j0g n PHE 36 Cb 0.54 -0.37 0.32 0.00 -0.00 0.00 0.00 39.48 39.97 1j0g n PHE 36 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1j0g h THR 37 N 0.00 1.17 0.15 -2.13 1.03 -1.90 -2.13 112.91 109.10 1j0g h THR 37 Ca 0.00 -0.54 -0.01 0.00 -0.01 0.00 0.00 66.41 65.86 1j0g h THR 37 Cb 0.54 0.67 0.00 0.00 -1.07 0.00 0.00 68.15 68.29 1j0g h THR 37 CO 0.00 0.21 -0.07 0.00 -0.01 0.00 0.00 175.52 175.64 1j0g h ALA 38 N 1.57 -0.54 -0.80 0.00 0.00 -1.98 -3.21 119.26 114.30 1j0g h ALA 38 Ca 0.15 -0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.30 1j0g h ALA 38 Cb 0.14 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 17.86 1j0g h ALA 38 CO -0.01 -0.53 0.26 1.55 0.00 0.00 0.00 179.25 180.52 1j0g n VAL 39 N -2.98 -0.33 -0.37 0.00 3.14 -1.21 0.17 118.33 116.75 1j0g n VAL 39 Ca -0.03 1.67 -0.01 0.00 -2.96 0.00 0.00 64.34 63.02 1j0g n VAL 39 Cb 0.08 -2.60 0.05 0.00 -1.06 0.00 0.00 33.84 30.31 1j0g n VAL 39 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 1j0g h LEU 40 N 0.00 -1.38 0.42 6.55 7.12 -1.38 1.55 115.31 128.20 1j0g h LEU 40 Ca 0.60 0.30 -0.02 0.00 0.13 0.00 0.00 57.88 58.89 1j0g h LEU 40 Cb 1.47 0.73 0.00 0.00 -0.53 0.00 0.00 40.66 42.34 1j0g h LEU 40 CO -0.67 -0.29 -0.20 0.11 -0.13 0.00 0.00 178.44 177.26 1j0g h LYS 41 N -0.01 -0.54 -0.91 1.25 1.57 0.15 -3.26 116.57 114.82 1j0g h LYS 41 Ca 0.35 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.31 1j0g h LYS 41 Cb 0.60 0.12 -0.15 0.00 0.08 0.00 0.00 32.23 32.88 1j0g h LYS 41 CO -0.97 -0.27 -0.36 0.35 -0.57 0.00 0.00 179.45 177.62 1j0g h PHE 42 N -1.06 -1.00 -1.00 -1.35 3.04 -0.52 0.37 116.94 115.42 1j0g h PHE 42 Ca -0.06 0.10 0.16 0.00 3.98 0.00 0.00 57.97 62.15 1j0g h PHE 42 Cb 0.52 0.57 -0.17 0.00 2.56 0.00 0.00 35.95 39.44 1j0g h PHE 42 CO 0.02 -0.40 -0.36 0.00 -2.02 0.00 0.00 178.31 175.55 1j0g h ALA 43 N 1.36 0.27 -0.71 2.41 0.00 0.21 1.05 119.26 123.85 1j0g h ALA 43 Ca 0.33 0.30 0.14 0.00 0.00 0.00 0.00 54.91 55.68 1j0g h ALA 43 Cb 0.60 0.96 -0.13 0.00 0.00 0.00 0.00 17.79 19.21 1j0g h ALA 43 CO -0.93 -0.57 -0.23 0.00 0.00 0.00 0.00 179.25 177.52 1j0g h ALA 44 N 1.51 0.34 -0.35 0.00 0.00 -0.30 1.29 119.26 121.75 1j0g h ALA 44 Ca 0.38 0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.57 1j0g h ALA 44 Cb 0.63 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1j0g h ALA 44 CO -1.00 -0.49 0.23 1.49 0.00 0.00 0.00 179.25 179.49 1j0g h GLU 45 N -0.04 0.33 0.00 0.00 4.81 0.12 0.37 114.58 120.16 1j0g h GLU 45 Ca 0.32 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1j0g h GLU 45 Cb 0.54 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1j0g h GLU 45 CO -0.74 0.22 0.00 0.93 -0.73 0.00 0.00 179.01 178.68 1j0g h GLU 46 N 0.34 0.00 -0.01 1.92 4.39 0.33 -1.97 114.58 119.57 1j0g h GLU 46 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1j0g h GLU 46 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1j0g h GLU 46 CO -0.03 0.00 -0.02 1.19 -1.16 0.00 0.00 179.01 178.99 1j0g n PHE 47 N -2.96 0.00 -3.02 4.33 3.72 0.81 -5.00 117.46 115.34 1j0g n PHE 47 Ca -0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1j0g n PHE 47 Cb 0.22 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.83 1j0g n PHE 47 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1j0g n LYS 48 N 0.38 -4.74 -4.32 -1.08 5.02 0.93 -5.04 118.16 109.30 1j0g n LYS 48 Ca 0.05 0.61 -0.17 0.00 -2.02 0.00 0.00 58.31 56.77 1j0g n LYS 48 Cb 0.21 -4.91 -0.10 0.00 -0.02 0.00 0.00 35.03 30.21 1j0g n LYS 48 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1j0g s VAL 49 N -3.26 1.44 0.33 -0.18 -7.23 -0.05 -4.99 120.40 106.47 1j0g s VAL 49 Ca 0.00 -2.13 -0.27 0.00 -1.81 0.00 0.00 61.98 57.78 1j0g s VAL 49 Cb -0.00 -2.08 -0.09 0.00 0.56 0.00 0.00 36.38 34.77 1j0g s VAL 49 CO 0.52 -0.57 1.07 -2.16 -0.31 0.00 0.00 175.10 173.65 1j0g s PRO 50 N -3.72 4.44 -0.72 4.82 0.04 -1.26 -4.02 135.00 134.58 1j0g s PRO 50 Ca 0.22 1.66 -0.07 0.00 0.04 0.00 0.00 61.00 62.85 1j0g s PRO 50 Cb 0.02 -2.90 -0.13 0.00 0.04 0.00 0.00 34.50 31.53 1j0g s PRO 50 CO 0.06 0.07 3.18 0.00 0.04 0.00 0.00 177.00 180.34 1j0g n ALA 51 N 0.64 6.83 0.05 8.56 0.00 -1.26 -3.50 120.51 131.82 1j0g n ALA 51 Ca 0.02 -2.77 0.00 0.00 0.00 0.00 0.00 53.44 50.68 1j0g n ALA 51 Cb 0.47 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.23 1j0g n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g n ALA 52 N 2.55 2.13 -0.99 0.00 0.00 -1.26 -4.88 120.51 118.06 1j0g n ALA 52 Ca 0.57 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.81 1j0g n ALA 52 Cb 0.58 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.07 1j0g n ALA 52 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j0g n THR 53 N -2.75 2.94 -4.02 0.00 -2.24 -1.23 -4.42 114.28 102.56 1j0g n THR 53 Ca 0.00 -1.93 -0.12 0.00 -2.27 0.00 0.00 64.05 59.73 1j0g n THR 53 Cb 0.00 -1.32 -0.12 0.00 -2.10 0.00 0.00 70.33 66.79 1j0g n THR 53 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1j0g s SER 54 N -0.13 0.47 -0.27 3.42 0.01 -1.26 -2.92 113.70 113.02 1j0g s SER 54 Ca 0.38 -0.38 -0.21 0.00 1.31 0.00 0.00 55.95 57.04 1j0g s SER 54 Cb 0.29 0.04 0.07 0.00 0.21 0.00 0.00 66.02 66.63 1j0g s SER 54 CO -0.02 -0.17 0.71 0.00 0.41 0.00 0.00 173.24 174.17 1j0g s ALA 55 N -1.02 -1.82 -0.15 1.44 0.00 0.34 -4.25 121.76 116.31 1j0g s ALA 55 Ca -0.09 2.20 -0.06 0.00 0.00 0.00 0.00 51.96 54.01 1j0g s ALA 55 Cb -0.07 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1j0g s ALA 55 CO -0.00 -0.36 0.06 0.42 0.00 0.00 0.00 175.76 175.89 1j0g s ILE 56 N 0.92 4.84 0.33 0.00 1.01 -1.26 0.11 121.20 127.14 1j0g s ILE 56 Ca -0.04 -0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.63 1j0g s ILE 56 Cb -0.05 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1j0g s ILE 56 CO -0.08 0.53 0.20 0.27 0.00 0.00 0.00 174.94 175.86 1j0g s ILE 57 N -0.24 0.21 0.55 2.92 -4.36 -1.05 -3.94 121.20 115.29 1j0g s ILE 57 Ca 0.08 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.53 1j0g s ILE 57 Cb -0.12 -2.46 0.10 0.00 1.25 0.00 0.00 42.46 41.22 1j0g s ILE 57 CO 0.01 0.00 0.76 0.35 0.24 0.00 0.00 174.94 176.31 1j0g n THR 58 N -0.65 0.00 -2.58 8.37 -2.24 0.21 -3.32 114.28 114.06 1j0g n THR 58 Ca 0.02 -1.62 -0.41 0.00 -2.27 0.00 0.00 64.05 59.77 1j0g n THR 58 Cb 0.64 -0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 1j0g n THR 58 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1j0g s ASN 59 N -4.31 6.54 0.00 3.42 0.01 -1.26 -2.81 114.94 116.53 1j0g s ASN 59 Ca 0.55 -1.59 0.00 0.00 -0.71 0.00 0.00 52.86 51.11 1j0g s ASN 59 Cb -0.04 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1j0g s ASN 59 CO 0.36 -1.45 0.00 0.47 -1.51 0.00 0.00 177.10 174.96 1j0g n ASP 60 N 8.74 0.00 0.00 -1.22 9.92 -1.26 -4.92 116.55 127.80 1j0g n ASP 60 Ca 0.34 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1j0g n ASP 60 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 1j0g n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j0g n GLY 61 N 0.00 0.82 3.55 0.44 0.00 -1.12 -5.10 105.19 103.77 1j0g n GLY 61 Ca 0.00 -0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 1j0g n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1j0g n ILE 62 N 0.00 2.00 -0.10 -0.61 5.41 -1.26 -4.63 119.36 120.17 1j0g n ILE 62 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1j0g n ILE 62 Cb 0.00 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 1j0g n ILE 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1j0g n GLY 63 N 1.40 -0.16 3.23 7.39 0.00 -1.26 -0.62 105.19 115.17 1j0g n GLY 63 Ca 0.11 -1.62 -0.22 0.00 0.00 0.00 0.00 46.02 44.30 1j0g n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j0g s ILE 64 N 0.14 1.44 -0.29 -0.61 -1.09 -1.25 -4.40 121.20 115.13 1j0g s ILE 64 Ca 0.00 -1.41 0.02 0.00 -2.23 0.00 0.00 60.65 57.03 1j0g s ILE 64 Cb 0.00 -1.33 0.08 0.00 -1.58 0.00 0.00 42.46 39.64 1j0g s ILE 64 CO 0.00 -0.11 0.02 0.20 -1.23 0.00 0.00 174.94 173.82 1j0g s ASN 65 N -1.77 4.26 -0.21 3.58 -0.87 -1.26 -5.00 114.94 113.67 1j0g s ASN 65 Ca 0.03 -1.66 -0.05 0.00 -1.57 0.00 0.00 52.86 49.61 1j0g s ASN 65 Cb -0.10 -1.28 -0.18 0.00 -0.02 0.00 0.00 41.25 39.67 1j0g s ASN 65 CO 0.03 -0.33 2.78 -0.81 -2.57 0.00 0.00 177.10 176.20 1j0g n PRO 66 N 4.55 1.71 0.03 -0.60 -0.04 -1.26 -3.96 135.00 135.43 1j0g n PRO 66 Ca -0.04 -0.92 0.11 0.00 -0.04 0.00 0.00 63.50 62.61 1j0g n PRO 66 Cb 0.43 -2.00 0.01 0.00 -0.04 0.00 0.00 33.50 31.89 1j0g n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j0g n ALA 67 N 2.85 3.28 -2.57 0.55 0.00 -1.26 -4.85 120.51 118.50 1j0g n ALA 67 Ca 0.37 -0.40 -0.27 0.00 0.00 0.00 0.00 53.44 53.14 1j0g n ALA 67 Cb 0.60 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 1j0g n ALA 67 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1j0g s GLN 68 N -3.23 1.97 0.65 0.00 0.00 -1.25 -5.13 119.66 112.66 1j0g s GLN 68 Ca 0.02 -2.21 -0.17 0.00 -0.00 0.00 0.00 55.36 53.01 1j0g s GLN 68 Cb 0.14 -0.87 -0.00 0.00 0.00 0.00 0.00 33.01 32.27 1j0g s GLN 68 CO 0.81 -0.42 1.17 0.95 0.00 0.00 0.00 175.29 177.80 1j0g s THR 69 N -3.13 2.78 0.19 3.63 -4.23 -1.26 -4.31 115.64 109.31 1j0g s THR 69 Ca 0.21 0.41 -0.20 0.00 -1.18 0.00 0.00 61.69 60.93 1j0g s THR 69 Cb 0.03 -3.02 0.13 0.00 1.34 0.00 0.00 72.50 70.98 1j0g s THR 69 CO 0.12 -0.17 1.59 0.00 -0.54 0.00 0.00 174.62 175.62 1j0g h ALA 70 N 0.29 -0.00 -0.10 3.99 0.00 0.22 1.60 119.26 125.26 1j0g h ALA 70 Ca -0.48 0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1j0g h ALA 70 Cb 1.28 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 1j0g h ALA 70 CO 0.53 -0.65 0.28 0.78 0.00 0.00 0.00 179.25 180.19 1j0g h GLY 71 N -0.16 0.00 0.52 0.00 0.00 -1.70 1.76 103.07 103.50 1j0g h GLY 71 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1j0g h GLY 71 CO -0.65 0.00 -1.38 0.70 0.00 0.00 0.00 176.54 175.21 1j0g n ASN 72 N -3.21 0.48 -0.07 0.19 4.13 0.49 -3.25 115.26 114.02 1j0g n ASN 72 Ca -0.00 0.07 -0.22 0.00 1.68 0.00 0.00 54.58 56.11 1j0g n ASN 72 Cb 0.36 1.11 -0.12 0.00 -1.54 0.00 0.00 39.78 39.59 1j0g n ASN 72 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1j0g n VAL 73 N -2.35 1.61 0.40 2.41 0.31 0.31 -2.53 118.33 118.48 1j0g n VAL 73 Ca -0.01 -0.26 0.12 0.00 -0.01 0.00 0.00 64.34 64.18 1j0g n VAL 73 Cb 0.53 -1.92 0.49 0.00 -0.91 0.00 0.00 33.84 32.02 1j0g n VAL 73 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1j0g n PHE 74 N -4.10 0.78 -0.10 3.52 -1.74 0.52 -0.00 117.46 116.34 1j0g n PHE 74 Ca -0.34 0.31 -0.17 0.00 -0.56 0.00 0.00 57.45 56.69 1j0g n PHE 74 Cb 0.82 -1.00 -0.08 0.00 1.52 0.00 0.00 39.48 40.74 1j0g n PHE 74 CO 0.00 0.00 0.00 -0.11 -0.56 0.00 0.00 176.76 176.09 1j0g n LEU 75 N -2.21 1.86 -0.22 5.98 7.94 -1.20 -0.36 117.00 128.79 1j0g n LEU 75 Ca 0.02 0.47 -0.07 0.00 -1.11 0.00 0.00 56.01 55.32 1j0g n LEU 75 Cb 0.23 -0.91 0.03 0.00 0.53 0.00 0.00 43.42 43.29 1j0g n LEU 75 CO 0.19 0.07 0.97 0.07 -1.11 0.00 0.00 177.39 177.58 1j0g h LYS 76 N -1.00 0.93 0.03 1.96 2.10 -1.44 -3.24 116.57 115.91 1j0g h LYS 76 Ca -0.27 -0.18 -0.19 0.00 -2.00 0.00 0.00 60.65 58.01 1j0g h LYS 76 Cb 1.09 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 32.26 1j0g h LYS 76 CO -0.16 0.80 -1.03 0.45 -2.00 0.00 0.00 179.45 177.51 1j0g h HIS 77 N 0.86 0.11 0.00 0.07 3.86 -0.63 -3.51 115.15 115.92 1j0g h HIS 77 Ca 0.20 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1j0g h HIS 77 Cb 0.24 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1j0g h HIS 77 CO 0.01 1.40 0.00 0.41 0.86 0.00 0.00 177.93 180.62 1j0g n GLY 78 N 1.56 3.46 0.07 2.45 0.00 0.51 -4.80 105.19 108.44 1j0g n GLY 78 Ca -0.25 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 1j0g n GLY 78 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j0g h SER 79 N 0.00 -0.00 -2.25 1.61 4.64 -1.61 -3.41 113.55 112.53 1j0g h SER 79 Ca 0.00 -0.80 -0.52 0.00 -0.47 0.00 0.00 61.79 60.00 1j0g h SER 79 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1j0g h SER 79 CO 0.00 0.89 1.26 -1.61 -0.87 0.00 0.00 176.83 176.50 1j0g s GLU 80 N -2.12 2.89 0.35 4.77 2.02 -1.26 -2.45 118.70 122.90 1j0g s GLU 80 Ca -0.15 0.55 0.04 0.00 0.02 0.00 0.00 54.97 55.43 1j0g s GLU 80 Cb -0.02 -4.29 -0.07 0.00 0.10 0.00 0.00 34.13 29.85 1j0g s GLU 80 CO 0.56 -2.42 0.05 -0.51 0.02 0.00 0.00 175.26 172.95 1j0g s LEU 81 N 7.87 2.31 -0.02 1.80 1.43 -0.84 -4.75 118.68 126.48 1j0g s LEU 81 Ca 0.61 -1.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.40 1j0g s LEU 81 Cb -0.13 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.59 1j0g s LEU 81 CO 0.22 -0.59 -0.23 -0.13 0.23 0.00 0.00 176.35 175.85 1j0g s ARG 82 N -3.85 1.90 -0.32 1.70 0.52 -1.21 -3.66 118.95 114.02 1j0g s ARG 82 Ca 0.36 -0.83 -0.16 0.00 -0.52 0.00 0.00 55.73 54.58 1j0g s ARG 82 Cb 0.09 -1.83 -0.02 0.00 0.52 0.00 0.00 34.95 33.71 1j0g s ARG 82 CO 0.16 0.50 0.39 -1.50 0.02 0.00 0.00 175.30 174.87 1j0g s ILE 83 N -0.54 5.15 0.19 1.52 2.07 -1.26 -2.54 121.20 125.79 1j0g s ILE 83 Ca 0.09 0.23 0.07 0.00 -1.41 0.00 0.00 60.65 59.63 1j0g s ILE 83 Cb -0.09 -3.81 -0.04 0.00 0.13 0.00 0.00 42.46 38.65 1j0g s ILE 83 CO -0.01 -0.05 0.03 0.27 -1.91 0.00 0.00 174.94 173.28 1j0g s ILE 84 N 2.09 3.84 -0.31 2.00 -5.25 0.30 -4.06 121.20 119.81 1j0g s ILE 84 Ca 0.14 -1.43 -0.29 0.00 -0.99 0.00 0.00 60.65 58.08 1j0g s ILE 84 Cb -0.16 -2.96 -0.00 0.00 2.95 0.00 0.00 42.46 42.29 1j0g s ILE 84 CO 0.11 -0.15 1.36 -2.16 -1.79 0.00 0.00 174.94 172.31 1j0g s PRO 85 N -3.10 3.84 0.43 0.37 0.04 -1.26 0.13 135.00 135.45 1j0g s PRO 85 Ca 0.29 1.24 -0.25 0.00 0.04 0.00 0.00 61.00 62.32 1j0g s PRO 85 Cb -0.09 -3.92 -0.08 0.00 0.04 0.00 0.00 34.50 30.45 1j0g s PRO 85 CO 0.20 -1.22 1.27 0.50 0.04 0.00 0.00 177.00 177.79 1j0g s ARG 86 N 4.37 3.83 -0.21 4.56 6.06 -1.15 -4.31 118.95 132.11 1j0g s ARG 86 Ca 0.59 2.07 -0.06 0.00 -2.50 0.00 0.00 55.73 55.82 1j0g s ARG 86 Cb -0.17 -2.63 0.02 0.00 0.06 0.00 0.00 34.95 32.24 1j0g s ARG 86 CO 0.26 -0.57 0.13 -3.47 -2.50 0.00 0.00 175.30 169.14 1j0g n ASP 87 N -0.13 -4.02 -0.24 -2.12 2.03 -1.26 -4.59 116.55 106.22 1j0g n ASP 87 Ca 0.05 1.31 -0.02 0.00 0.52 0.00 0.00 54.79 56.65 1j0g n ASP 87 Cb 0.45 -4.83 0.04 0.00 -0.72 0.00 0.00 41.12 36.05 1j0g n ASP 87 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1j0g h ARG 88 N 3.79 -0.09 -1.44 -0.67 3.08 -2.02 -3.44 114.38 113.60 1j0g h ARG 88 Ca -0.29 0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.87 1j0g h ARG 88 Cb 0.72 0.02 -0.28 0.00 0.08 0.00 0.00 29.97 30.51 1j0g h ARG 88 CO 0.04 -0.06 0.60 0.54 -1.07 0.00 0.00 179.97 180.02 1j0g s VAL 89 N -6.09 0.00 0.00 2.04 0.11 -1.26 -5.14 120.40 110.06 1j0g s VAL 89 Ca -0.14 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 1j0g s VAL 89 Cb 0.18 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 1j0g s VAL 89 CO 0.72 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 173.10 1j0g n GLY 90 N 1.80 2.31 3.66 6.54 0.00 -1.26 -5.11 105.19 113.14 1j0g n GLY 90 Ca -0.11 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1j0g n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j0g s SER 91 N 0.00 6.65 0.00 1.61 1.04 -1.26 -5.18 113.70 116.57 1j0g s SER 91 Ca 0.00 2.29 0.00 0.00 0.48 0.00 0.00 55.95 58.72 1j0g s SER 91 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1j0g s SER 91 CO 0.00 -0.92 0.00 0.00 0.98 0.00 0.00 173.24 173.30