#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0g n SER 2 N 0.00 -8.35 -4.70 1.61 2.88 -1.26 -4.82 113.62 98.98 1j0g n SER 2 Ca 0.00 1.17 -0.42 0.00 -1.33 0.00 0.00 58.87 58.29 1j0g n SER 2 Cb 0.00 -4.29 -0.03 0.00 -0.75 0.00 0.00 64.21 59.14 1j0g n SER 2 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1j0g s GLU 3 N -2.07 4.29 -0.26 -1.46 0.41 -1.26 -4.89 118.70 113.47 1j0g s GLU 3 Ca 0.00 2.03 -0.41 0.00 -0.41 0.00 0.00 54.97 56.18 1j0g s GLU 3 Cb 0.00 -3.45 -0.17 0.00 -1.78 0.00 0.00 34.13 28.73 1j0g s GLU 3 CO 0.00 -0.53 1.64 0.41 -0.49 0.00 0.00 175.26 176.29 1j0g n GLY 4 N 3.61 0.64 3.48 -1.39 0.00 -1.26 -4.94 105.19 105.32 1j0g n GLY 4 Ca 0.13 0.91 -0.23 0.00 0.00 0.00 0.00 46.02 46.83 1j0g n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0g s ALA 5 N 2.90 2.53 -0.33 4.61 0.00 -1.26 -4.93 121.76 125.27 1j0g s ALA 5 Ca 0.97 -2.08 -0.15 0.00 0.00 0.00 0.00 51.96 50.71 1j0g s ALA 5 Cb -1.14 0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.45 1j0g s ALA 5 CO 0.66 -0.21 0.37 0.00 0.00 0.00 0.00 175.76 176.58 1j0g n ALA 6 N -0.72 -2.77 -1.55 0.00 0.00 -1.26 -4.88 120.51 109.33 1j0g n ALA 6 Ca -0.04 0.61 -0.36 0.00 0.00 0.00 0.00 53.44 53.65 1j0g n ALA 6 Cb 0.66 -2.18 0.08 0.00 0.00 0.00 0.00 19.45 18.01 1j0g n ALA 6 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1j0g n THR 7 N 0.25 4.08 -3.15 0.00 5.66 -1.26 -5.02 114.28 114.84 1j0g n THR 7 Ca 0.02 -0.42 0.05 0.00 -3.05 0.00 0.00 64.05 60.65 1j0g n THR 7 Cb 0.41 -1.39 -0.01 0.00 -1.55 0.00 0.00 70.33 67.80 1j0g n THR 7 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 1j0g s MET 8 N -3.53 0.22 -0.50 1.09 0.00 -1.26 -5.03 119.30 110.28 1j0g s MET 8 Ca 0.80 0.29 -0.31 0.00 0.00 0.00 0.00 55.69 56.46 1j0g s MET 8 Cb -0.36 0.15 0.05 0.00 0.00 0.00 0.00 34.83 34.67 1j0g s MET 8 CO 0.44 -0.33 0.65 0.43 0.00 0.00 0.00 175.02 176.20 1j0g n SER 9 N 5.30 -5.79 -4.45 1.11 7.64 -1.26 -4.86 113.62 111.31 1j0g n SER 9 Ca 0.02 -0.16 -0.25 0.00 1.01 0.00 0.00 58.87 59.49 1j0g n SER 9 Cb 0.55 -2.21 -0.10 0.00 -1.01 0.00 0.00 64.21 61.45 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 -2.76 1.86 0.07 1.43 1.02 -1.26 -3.10 119.74 116.99 1j0g s LYS 10 Ca 0.32 -2.09 0.02 0.00 0.02 0.00 0.00 55.97 54.24 1j0g s LYS 10 Cb -0.04 -1.04 -0.03 0.00 -0.52 0.00 0.00 37.83 36.20 1j0g s LYS 10 CO 0.86 -0.26 -0.08 0.14 -0.92 0.00 0.00 175.35 175.09 1j0g s VAL 11 N -3.11 0.67 -0.11 3.17 -7.23 0.56 -4.80 120.40 109.55 1j0g s VAL 11 Ca 0.28 -1.41 0.03 0.00 -1.81 0.00 0.00 61.98 59.07 1j0g s VAL 11 Cb 0.06 -1.04 -0.00 0.00 0.56 0.00 0.00 36.38 35.96 1j0g s VAL 11 CO 0.14 -0.54 -0.22 -0.94 -0.31 0.00 0.00 175.10 173.24 1j0g s SER 12 N -2.12 3.26 -0.20 4.85 1.04 -1.26 -2.52 113.70 116.76 1j0g s SER 12 Ca -0.01 -0.53 -0.06 0.00 0.48 0.00 0.00 55.95 55.83 1j0g s SER 12 Cb -0.05 -1.45 -0.03 0.00 0.10 0.00 0.00 66.02 64.59 1j0g s SER 12 CO -0.01 0.14 0.03 -0.36 0.98 0.00 0.00 173.24 174.02 1j0g s PHE 13 N 0.45 3.10 -0.63 5.02 0.08 -0.86 -4.75 117.98 120.39 1j0g s PHE 13 Ca -0.15 -0.29 -0.12 0.00 0.12 0.00 0.00 56.93 56.49 1j0g s PHE 13 Cb -0.17 -2.10 0.16 0.00 -0.57 0.00 0.00 43.02 40.34 1j0g s PHE 13 CO 0.06 -0.14 0.53 0.21 -0.10 0.00 0.00 175.22 175.78 1j0g s LYS 14 N 0.91 2.98 -0.00 0.44 2.20 -0.81 -2.93 119.74 122.53 1j0g s LYS 14 Ca 0.02 -2.09 0.04 0.00 -0.36 0.00 0.00 55.97 53.58 1j0g s LYS 14 Cb -0.14 -4.15 -0.03 0.00 -1.51 0.00 0.00 37.83 31.99 1j0g s LYS 14 CO 0.02 -1.26 -0.09 0.42 -0.36 0.00 0.00 175.35 174.09 1j0g s ILE 15 N 0.83 3.48 -0.26 5.43 1.01 -1.04 -2.16 121.20 128.49 1j0g s ILE 15 Ca 0.11 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1j0g s ILE 15 Cb -0.21 -2.49 0.06 0.00 0.01 0.00 0.00 42.46 39.83 1j0g s ILE 15 CO -0.03 0.42 -0.07 -0.89 0.00 0.00 0.00 174.94 174.36 1j0g s THR 16 N -0.95 1.96 -0.12 2.92 2.01 -1.24 0.27 115.64 120.50 1j0g s THR 16 Ca 0.16 -1.58 -0.37 0.00 0.31 0.00 0.00 61.69 60.21 1j0g s THR 16 Cb -0.11 -2.16 -0.15 0.00 0.01 0.00 0.00 72.50 70.09 1j0g s THR 16 CO 0.06 -0.12 1.70 -0.11 -0.69 0.00 0.00 174.62 175.46 1j0g n LEU 17 N 4.49 2.64 -2.95 4.42 7.94 -1.11 -4.36 117.00 128.07 1j0g n LEU 17 Ca -0.11 1.05 -0.25 0.00 -1.11 0.00 0.00 56.01 55.59 1j0g n LEU 17 Cb 0.43 -1.24 -0.03 0.00 0.53 0.00 0.00 43.42 43.10 1j0g n LEU 17 CO 0.20 -0.41 0.07 1.07 -1.11 0.00 0.00 177.39 177.21 1j0g n THR 18 N 4.28 2.31 0.10 1.96 5.66 -1.26 -3.97 114.28 123.36 1j0g n THR 18 Ca 0.23 -5.27 0.00 0.00 -3.05 0.00 0.00 64.05 55.96 1j0g n THR 18 Cb 0.20 -1.10 0.00 0.00 -1.55 0.00 0.00 70.33 67.88 1j0g n THR 18 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1j0g n SER 19 N -0.16 -0.03 -4.24 1.09 3.41 -1.26 -4.98 113.62 107.45 1j0g n SER 19 Ca 0.30 0.33 -0.29 0.00 -0.26 0.00 0.00 58.87 58.95 1j0g n SER 19 Cb 0.48 0.24 0.21 0.00 -0.26 0.00 0.00 64.21 64.88 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 -5.08 1.68 -0.70 4.04 1.11 -1.26 -4.84 116.67 111.62 1j0g s ASP 20 Ca 0.00 0.90 -0.06 0.00 0.18 0.00 0.00 52.55 53.56 1j0g s ASP 20 Cb 0.00 -1.35 -0.12 0.00 1.07 0.00 0.00 42.92 42.51 1j0g s ASP 20 CO 0.00 -3.68 2.63 -0.81 1.18 0.00 0.00 175.17 174.49 1j0g n PRO 21 N -4.50 2.24 -3.63 8.23 -0.04 -1.26 -4.72 135.00 131.31 1j0g n PRO 21 Ca 0.09 -1.34 -0.00 0.00 -0.04 0.00 0.00 63.50 62.21 1j0g n PRO 21 Cb 0.58 -2.29 -0.01 0.00 -0.04 0.00 0.00 33.50 31.74 1j0g n PRO 21 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1j0g s ARG 22 N 2.29 0.52 -0.51 0.54 0.52 -1.26 -5.09 118.95 115.97 1j0g s ARG 22 Ca 0.52 -0.27 0.07 0.00 -0.52 0.00 0.00 55.73 55.52 1j0g s ARG 22 Cb 0.18 0.18 0.26 0.00 0.52 0.00 0.00 34.95 36.09 1j0g s ARG 22 CO -0.03 -0.24 0.64 1.28 0.02 0.00 0.00 175.30 176.98 1j0g n LEU 23 N -0.42 1.93 -4.76 2.53 7.99 -1.26 -4.53 117.00 118.48 1j0g n LEU 23 Ca -0.07 -5.07 -0.30 0.00 -0.01 0.00 0.00 56.01 50.56 1j0g n LEU 23 Cb 0.62 0.02 0.22 0.00 -0.11 0.00 0.00 43.42 44.17 1j0g n LEU 23 CO 0.12 2.08 0.76 -2.16 -1.51 0.00 0.00 177.39 176.68 1j0g s PRO 24 N -1.88 -0.48 0.11 3.23 0.04 -1.25 -4.86 135.00 129.91 1j0g s PRO 24 Ca 0.38 -0.32 0.05 0.00 0.04 0.00 0.00 61.00 61.15 1j0g s PRO 24 Cb 0.17 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.97 1j0g s PRO 24 CO -0.07 -3.18 -0.12 1.52 0.04 0.00 0.00 177.00 175.20 1j0g s TYR 25 N -3.48 1.23 0.05 0.56 1.13 -1.26 -2.75 117.35 112.82 1j0g s TYR 25 Ca 0.74 -0.59 0.03 0.00 -1.41 0.00 0.00 57.07 55.84 1j0g s TYR 25 Cb -0.06 -0.66 -0.02 0.00 -1.10 0.00 0.00 41.96 40.12 1j0g s TYR 25 CO 0.55 0.07 -0.10 0.21 -2.51 0.00 0.00 175.55 173.76 1j0g s LYS 26 N -2.61 0.65 -0.33 -3.49 2.36 0.14 -4.96 119.74 111.50 1j0g s LYS 26 Ca 0.06 -0.80 -0.02 0.00 -2.55 0.00 0.00 55.97 52.66 1j0g s LYS 26 Cb -0.05 -0.52 0.12 0.00 -1.05 0.00 0.00 37.83 36.33 1j0g s LYS 26 CO 0.02 0.11 0.16 0.08 1.55 0.00 0.00 175.35 177.27 1j0g s VAL 27 N -1.25 0.29 -0.03 4.02 1.01 -1.24 -2.50 120.40 120.71 1j0g s VAL 27 Ca -0.06 -1.33 -0.15 0.00 0.00 0.00 0.00 61.98 60.44 1j0g s VAL 27 Cb -0.09 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1j0g s VAL 27 CO 0.01 -0.82 0.41 -0.76 0.00 0.00 0.00 175.10 173.95 1j0g s LEU 28 N 1.54 4.43 -0.28 3.92 1.43 -1.15 -4.88 118.68 123.70 1j0g s LEU 28 Ca 0.13 0.92 0.03 0.00 -1.03 0.00 0.00 54.13 54.17 1j0g s LEU 28 Cb -0.19 -2.59 0.07 0.00 0.03 0.00 0.00 46.19 43.50 1j0g s LEU 28 CO -0.20 0.26 -0.07 -0.55 0.23 0.00 0.00 176.35 176.03 1j0g s SER 29 N -0.73 4.56 0.08 2.29 0.15 -1.26 -2.03 113.70 116.75 1j0g s SER 29 Ca 0.24 -1.51 0.01 0.00 0.70 0.00 0.00 55.95 55.38 1j0g s SER 29 Cb -0.16 -1.58 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 1j0g s SER 29 CO 0.12 -0.23 -0.06 0.68 1.20 0.00 0.00 173.24 174.95 1j0g s VAL 30 N 1.09 0.54 0.25 4.45 -7.23 -1.05 -4.94 120.40 113.51 1j0g s VAL 30 Ca -0.05 -1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 58.08 1j0g s VAL 30 Cb -0.20 -1.44 -0.09 0.00 0.56 0.00 0.00 36.38 35.21 1j0g s VAL 30 CO -0.05 -0.82 1.09 -2.16 -0.31 0.00 0.00 175.10 172.85 1j0g s PRO 31 N -3.45 4.65 0.18 4.82 0.04 -1.26 -0.33 135.00 139.65 1j0g s PRO 31 Ca 0.07 1.76 -0.24 0.00 0.04 0.00 0.00 61.00 62.63 1j0g s PRO 31 Cb 0.03 -3.22 0.06 0.00 0.04 0.00 0.00 34.50 31.42 1j0g s PRO 31 CO -0.05 0.20 1.45 0.39 0.04 0.00 0.00 177.00 179.04 1j0g n GLU 32 N 1.48 -0.33 -0.21 4.56 1.02 -1.18 -0.64 120.64 125.34 1j0g n GLU 32 Ca -0.00 1.43 -0.06 0.00 -0.02 0.00 0.00 57.16 58.51 1j0g n GLU 32 Cb 0.45 -2.11 -0.05 0.00 -0.02 0.00 0.00 31.44 29.71 1j0g n GLU 32 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1j0g n SER 33 N -5.27 -0.53 -4.06 1.62 2.88 -1.26 -1.16 113.62 105.83 1j0g n SER 33 Ca 0.05 1.25 -0.42 0.00 -1.33 0.00 0.00 58.87 58.42 1j0g n SER 33 Cb 0.30 -0.29 -0.02 0.00 -0.75 0.00 0.00 64.21 63.45 1j0g n SER 33 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1j0g n THR 34 N -4.16 1.32 -1.85 2.46 -1.04 0.19 -3.72 114.28 107.47 1j0g n THR 34 Ca 0.01 -0.47 -0.32 0.00 -2.04 0.00 0.00 64.05 61.24 1j0g n THR 34 Cb 0.13 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.67 1j0g n THR 34 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1j0g s PRO 35 N -0.93 3.19 0.06 -2.82 0.04 -1.26 0.18 135.00 133.45 1j0g s PRO 35 Ca 0.58 1.07 0.28 0.00 0.04 0.00 0.00 61.00 62.97 1j0g s PRO 35 Cb -0.75 -2.02 1.09 0.00 0.04 0.00 0.00 34.50 32.86 1j0g s PRO 35 CO 0.55 -0.90 1.86 0.34 0.04 0.00 0.00 177.00 178.89 1j0g n PHE 36 N -2.50 0.26 -0.02 0.56 -0.00 -1.26 -3.34 117.46 111.16 1j0g n PHE 36 Ca 0.08 0.08 -0.07 0.00 -0.00 0.00 0.00 57.45 57.54 1j0g n PHE 36 Cb 0.53 -0.61 0.11 0.00 -0.00 0.00 0.00 39.48 39.51 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 1.29 -0.07 -2.13 1.03 -1.92 -2.58 112.91 108.53 1j0g h THR 37 Ca 0.00 -1.48 -0.08 0.00 -0.01 0.00 0.00 66.41 64.83 1j0g h THR 37 Cb 0.57 1.45 -0.01 0.00 -1.07 0.00 0.00 68.15 69.09 1j0g h THR 37 CO 0.00 0.47 -0.34 0.00 -0.01 0.00 0.00 175.52 175.64 1j0g h ALA 38 N 1.11 1.31 0.33 0.00 0.00 -1.96 -2.95 119.26 117.09 1j0g h ALA 38 Ca 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1j0g h ALA 38 Cb 0.84 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1j0g h ALA 38 CO 0.07 0.49 -0.22 0.28 0.00 0.00 0.00 179.25 179.87 1j0g h VAL 39 N 0.12 0.54 -0.26 0.00 2.07 -1.60 0.20 116.25 117.32 1j0g h VAL 39 Ca 0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1j0g h VAL 39 Cb 0.66 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1j0g h VAL 39 CO 0.05 0.00 -0.44 0.25 0.02 0.00 0.00 177.57 177.45 1j0g h LEU 40 N -0.53 -1.44 -0.02 2.57 6.46 -1.40 0.94 115.31 121.89 1j0g h LEU 40 Ca -0.03 0.18 0.02 0.00 -0.12 0.00 0.00 57.88 57.93 1j0g h LEU 40 Cb 0.45 0.58 -0.04 0.00 -0.73 0.00 0.00 40.66 40.92 1j0g h LEU 40 CO 0.02 -0.34 -0.39 0.11 -0.62 0.00 0.00 178.44 177.22 1j0g h LYS 41 N -0.35 -0.46 -0.76 1.25 1.57 -1.44 1.07 116.57 117.45 1j0g h LYS 41 Ca 0.05 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.00 1j0g h LYS 41 Cb 0.49 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 32.76 1j0g h LYS 41 CO -0.43 -0.31 -0.30 0.35 -0.57 0.00 0.00 179.45 178.19 1j0g h PHE 42 N -0.48 -0.78 -0.57 -1.35 3.04 0.03 1.07 116.94 117.90 1j0g h PHE 42 Ca 0.01 0.08 -0.02 0.00 3.98 0.00 0.00 57.97 62.02 1j0g h PHE 42 Cb 0.52 0.46 -0.03 0.00 2.56 0.00 0.00 35.95 39.46 1j0g h PHE 42 CO -0.49 -0.37 0.27 0.00 -2.02 0.00 0.00 178.31 175.69 1j0g h ALA 43 N 1.38 1.40 0.32 2.41 0.00 0.18 -0.47 119.26 124.47 1j0g h ALA 43 Ca 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1j0g h ALA 43 Cb 0.58 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1j0g h ALA 43 CO -0.80 0.47 -0.15 0.00 0.00 0.00 0.00 179.25 178.76 1j0g h ALA 44 N 1.50 -0.93 -1.17 0.00 0.00 0.88 0.10 119.26 119.63 1j0g h ALA 44 Ca 0.20 -0.09 0.34 0.00 0.00 0.00 0.00 54.91 55.36 1j0g h ALA 44 Cb 0.09 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 1j0g h ALA 44 CO -0.03 -0.90 0.77 1.05 0.00 0.00 0.00 179.25 180.15 1j0g h GLU 45 N -0.49 0.22 -0.29 0.00 4.11 0.32 1.18 114.58 119.62 1j0g h GLU 45 Ca -0.04 -0.01 -0.15 0.00 0.07 0.00 0.00 59.36 59.22 1j0g h GLU 45 Cb 0.33 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1j0g h GLU 45 CO 0.07 0.14 -0.43 0.93 0.07 0.00 0.00 179.01 179.80 1j0g h GLU 46 N 0.23 0.73 -0.83 1.06 4.39 -0.88 -2.72 114.58 116.56 1j0g h GLU 46 Ca 0.67 -0.40 -0.07 0.00 0.34 0.00 0.00 59.36 59.91 1j0g h GLU 46 Cb 2.02 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.65 1j0g h GLU 46 CO -0.28 1.02 0.08 1.19 -1.16 0.00 0.00 179.01 179.86 1j0g n PHE 47 N -4.03 1.25 -4.17 4.33 3.72 0.39 -4.89 117.46 114.07 1j0g n PHE 47 Ca -0.02 -0.59 -0.41 0.00 -0.05 0.00 0.00 57.45 56.39 1j0g n PHE 47 Cb 0.55 -0.40 -0.02 0.00 -0.94 0.00 0.00 39.48 38.67 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 0.17 -0.57 -4.26 -1.08 4.01 -0.33 -4.94 118.16 111.15 1j0g n LYS 48 Ca 0.19 0.09 -0.15 0.00 -0.51 0.00 0.00 58.31 57.93 1j0g n LYS 48 Cb 0.85 -2.96 -0.10 0.00 -0.51 0.00 0.00 35.03 32.31 1j0g n LYS 48 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1j0g s VAL 49 N -3.86 1.21 -0.18 -0.18 -7.23 -0.85 -5.02 120.40 104.29 1j0g s VAL 49 Ca 0.30 -2.07 -0.29 0.00 -1.81 0.00 0.00 61.98 58.11 1j0g s VAL 49 Cb -0.17 -1.90 -0.01 0.00 0.56 0.00 0.00 36.38 34.87 1j0g s VAL 49 CO 0.98 -0.71 1.29 -2.16 -0.31 0.00 0.00 175.10 174.19 1j0g s PRO 50 N -3.75 4.17 -0.85 4.82 0.04 -1.26 -4.07 135.00 134.11 1j0g s PRO 50 Ca 0.18 1.61 -0.06 0.00 0.04 0.00 0.00 61.00 62.77 1j0g s PRO 50 Cb 0.02 -3.80 -0.02 0.00 0.04 0.00 0.00 34.50 30.75 1j0g s PRO 50 CO 0.02 -0.79 2.87 0.00 0.04 0.00 0.00 177.00 179.14 1j0g n ALA 51 N 6.83 6.76 0.06 8.56 0.00 -1.26 -3.83 120.51 137.63 1j0g n ALA 51 Ca 0.14 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.38 1j0g n ALA 51 Cb 0.45 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.30 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 1.97 3.00 -2.31 0.00 0.00 -1.26 -4.89 120.51 117.02 1j0g n ALA 52 Ca 0.57 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.61 1j0g n ALA 52 Cb 0.47 0.07 0.03 0.00 0.00 0.00 0.00 19.45 20.02 1j0g n ALA 52 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1j0g n THR 53 N -3.02 5.03 -4.04 0.00 5.66 -1.25 -4.87 114.28 111.79 1j0g n THR 53 Ca 0.00 -5.20 -0.08 0.00 -3.05 0.00 0.00 64.05 55.71 1j0g n THR 53 Cb 0.05 -1.44 -0.11 0.00 -1.55 0.00 0.00 70.33 67.28 1j0g n THR 53 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1j0g s SER 54 N -1.16 0.40 -0.27 1.09 0.01 -1.26 -1.34 113.70 111.16 1j0g s SER 54 Ca 0.45 -0.75 -0.25 0.00 1.31 0.00 0.00 55.95 56.72 1j0g s SER 54 Cb 0.30 0.14 0.09 0.00 0.21 0.00 0.00 66.02 66.76 1j0g s SER 54 CO -0.25 -0.44 0.82 0.00 0.41 0.00 0.00 173.24 173.78 1j0g s ALA 55 N -2.65 -1.85 -0.07 1.44 0.00 0.30 -4.55 121.76 114.37 1j0g s ALA 55 Ca -0.04 2.00 -0.14 0.00 0.00 0.00 0.00 51.96 53.78 1j0g s ALA 55 Cb -0.01 -1.28 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 1j0g s ALA 55 CO -0.05 -0.31 0.34 0.42 0.00 0.00 0.00 175.76 176.16 1j0g s ILE 56 N 0.39 5.19 0.19 0.00 1.01 -1.26 -0.76 121.20 125.96 1j0g s ILE 56 Ca 0.01 0.67 0.04 0.00 0.00 0.00 0.00 60.65 61.37 1j0g s ILE 56 Cb -0.05 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 1j0g s ILE 56 CO -0.02 0.51 -0.06 0.27 0.00 0.00 0.00 174.94 175.64 1j0g s ILE 57 N -0.51 1.15 0.33 2.92 -4.36 -0.87 -3.29 121.20 116.57 1j0g s ILE 57 Ca 0.21 -2.06 -0.03 0.00 -0.26 0.00 0.00 60.65 58.51 1j0g s ILE 57 Cb -0.15 -2.07 -0.04 0.00 1.25 0.00 0.00 42.46 41.45 1j0g s ILE 57 CO 0.09 -0.56 0.57 0.42 0.24 0.00 0.00 174.94 175.71 1j0g s THR 58 N -3.34 5.05 -1.01 8.37 -4.23 -0.40 -2.57 115.64 117.50 1j0g s THR 58 Ca 0.22 -0.14 -0.25 0.00 -1.18 0.00 0.00 61.69 60.35 1j0g s THR 58 Cb 0.04 -3.80 -0.12 0.00 1.34 0.00 0.00 72.50 69.96 1j0g s THR 58 CO 0.04 -0.47 2.07 0.20 -0.54 0.00 0.00 174.62 175.92 1j0g s ASN 59 N -3.61 4.47 0.00 3.99 0.01 -1.26 -2.04 114.94 116.50 1j0g s ASN 59 Ca 0.43 -0.92 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 1j0g s ASN 59 Cb -0.10 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.98 1j0g s ASN 59 CO 0.34 -3.54 0.00 -0.67 -1.51 0.00 0.00 177.10 171.72 1j0g n ASP 60 N 16.33 0.00 0.00 -1.22 2.03 -1.26 -5.01 116.55 127.41 1j0g n ASP 60 Ca 0.43 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.74 1j0g n ASP 60 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1j0g n ASP 60 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j0g n GLY 61 N 0.00 0.77 2.90 0.27 0.00 -0.87 -5.15 105.19 103.11 1j0g n GLY 61 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 1j0g n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j0g s ILE 62 N -0.47 0.01 0.84 -0.61 -1.09 -1.25 -5.01 121.20 113.62 1j0g s ILE 62 Ca 0.00 -0.07 -0.14 0.00 -2.23 0.00 0.00 60.65 58.20 1j0g s ILE 62 Cb 0.00 -0.06 0.20 0.00 -1.58 0.00 0.00 42.46 41.02 1j0g s ILE 62 CO 0.00 -0.04 1.06 0.61 -1.23 0.00 0.00 174.94 175.34 1j0g n GLY 63 N 2.95 -1.68 3.17 6.18 0.00 -1.26 -1.28 105.19 113.28 1j0g n GLY 63 Ca -0.13 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.25 1.36 -0.42 -0.61 1.01 -1.21 -4.72 121.20 113.37 1j0g s ILE 64 Ca 0.61 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 1j0g s ILE 64 Cb -0.02 -1.16 0.10 0.00 0.01 0.00 0.00 42.46 41.39 1j0g s ILE 64 CO 0.44 0.28 0.23 0.21 0.00 0.00 0.00 174.94 176.09 1j0g s ASN 65 N -0.68 5.40 -0.18 3.58 3.84 -1.26 -4.97 114.94 120.66 1j0g s ASN 65 Ca 0.06 -1.85 -0.05 0.00 0.21 0.00 0.00 52.86 51.23 1j0g s ASN 65 Cb -0.07 -1.89 -0.18 0.00 -0.55 0.00 0.00 41.25 38.56 1j0g s ASN 65 CO 0.00 -0.56 2.78 -0.81 -2.79 0.00 0.00 177.10 175.72 1j0g n PRO 66 N 4.73 1.68 0.07 0.43 -0.04 -1.26 -4.03 135.00 136.58 1j0g n PRO 66 Ca -0.06 -0.90 0.12 0.00 -0.04 0.00 0.00 63.50 62.62 1j0g n PRO 66 Cb 0.42 -1.98 0.07 0.00 -0.04 0.00 0.00 33.50 31.97 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 2.82 2.89 -3.81 0.55 0.00 -1.26 -4.82 120.51 116.88 1j0g n ALA 67 Ca 0.36 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1j0g n ALA 67 Cb 0.61 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1j0g n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g n GLN 68 N -2.28 2.06 -2.64 0.00 0.00 -1.26 -5.12 117.38 108.15 1j0g n GLN 68 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 57.00 56.65 1j0g n GLN 68 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.67 1j0g n GLN 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1j0g s THR 69 N -0.63 3.94 0.24 -0.39 -4.23 -1.26 -4.37 115.64 108.93 1j0g s THR 69 Ca 0.00 1.48 -0.07 0.00 -1.18 0.00 0.00 61.69 61.92 1j0g s THR 69 Cb 0.00 -3.77 0.26 0.00 1.34 0.00 0.00 72.50 70.33 1j0g s THR 69 CO 0.00 0.01 1.65 0.00 -0.54 0.00 0.00 174.62 175.74 1j0g h ALA 70 N 2.63 0.79 -0.15 3.99 0.00 0.34 1.57 119.26 128.43 1j0g h ALA 70 Ca -0.48 0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1j0g h ALA 70 Cb 1.20 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1j0g h ALA 70 CO 0.63 -0.41 0.20 0.78 0.00 0.00 0.00 179.25 180.46 1j0g h GLY 71 N 0.13 0.00 0.50 0.00 0.00 -1.33 1.61 103.07 103.99 1j0g h GLY 71 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1j0g h GLY 71 CO -0.62 0.00 -1.12 0.70 0.00 0.00 0.00 176.54 175.50 1j0g n ASN 72 N -3.60 0.59 -0.09 0.19 3.02 0.50 -3.27 115.26 112.59 1j0g n ASN 72 Ca 0.01 -0.23 -0.23 0.00 -0.03 0.00 0.00 54.58 54.10 1j0g n ASN 72 Cb 0.31 0.91 -0.12 0.00 -0.61 0.00 0.00 39.78 40.28 1j0g n ASN 72 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1j0g n VAL 73 N -1.98 1.58 0.44 2.41 0.31 0.21 -2.77 118.33 118.54 1j0g n VAL 73 Ca 0.01 -0.25 0.11 0.00 -0.01 0.00 0.00 64.34 64.20 1j0g n VAL 73 Cb 0.45 -1.91 0.44 0.00 -0.91 0.00 0.00 33.84 31.91 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 -4.13 0.59 -0.10 3.52 -1.74 0.49 0.27 117.46 116.36 1j0g n PHE 74 Ca -0.37 0.23 -0.21 0.00 -0.56 0.00 0.00 57.45 56.54 1j0g n PHE 74 Cb 0.81 -0.87 -0.10 0.00 1.52 0.00 0.00 39.48 40.84 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 -2.04 1.87 -0.08 5.98 7.94 -1.20 -0.75 117.00 128.72 1j0g n LEU 75 Ca 0.03 0.44 -0.12 0.00 -1.11 0.00 0.00 56.01 55.24 1j0g n LEU 75 Cb 0.22 -0.94 -0.05 0.00 0.53 0.00 0.00 43.42 43.19 1j0g n LEU 75 CO 0.19 0.22 0.69 0.07 -1.11 0.00 0.00 177.39 177.45 1j0g h LYS 76 N -1.00 0.45 0.09 1.96 2.10 -1.44 -3.29 116.57 115.44 1j0g h LYS 76 Ca -0.35 -0.18 -0.18 0.00 -2.00 0.00 0.00 60.65 57.94 1j0g h LYS 76 Cb 1.25 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1j0g h LYS 76 CO -0.21 0.70 -0.88 0.45 -2.00 0.00 0.00 179.45 177.51 1j0g h HIS 77 N 0.17 0.33 0.00 0.07 3.86 -0.39 -3.51 115.15 115.69 1j0g h HIS 77 Ca 0.06 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1j0g h HIS 77 Cb 0.54 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1j0g h HIS 77 CO 0.06 1.34 0.00 0.41 0.86 0.00 0.00 177.93 180.60 1j0g n GLY 78 N 1.65 1.69 0.13 2.45 0.00 0.07 -4.93 105.19 106.25 1j0g n GLY 78 Ca -0.19 -2.20 -0.22 0.00 0.00 0.00 0.00 46.02 43.41 1j0g n GLY 78 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j0g n SER 79 N 0.00 2.01 -4.59 1.61 3.41 -1.03 -4.26 113.62 110.77 1j0g n SER 79 Ca 0.00 0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 58.43 1j0g n SER 79 Cb 0.00 -0.83 -0.02 0.00 -0.26 0.00 0.00 64.21 63.10 1j0g n SER 79 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1j0g s GLU 80 N -2.49 3.44 0.35 4.33 2.02 -1.26 -1.92 118.70 123.17 1j0g s GLU 80 Ca -0.28 0.60 0.05 0.00 0.02 0.00 0.00 54.97 55.36 1j0g s GLU 80 Cb 0.08 -4.06 -0.02 0.00 0.10 0.00 0.00 34.13 30.22 1j0g s GLU 80 CO 0.66 -1.75 0.35 -0.51 0.02 0.00 0.00 175.26 174.03 1j0g s LEU 81 N 5.63 1.58 0.03 1.80 1.43 -0.92 -4.52 118.68 123.71 1j0g s LEU 81 Ca 0.54 -1.72 0.04 0.00 -1.03 0.00 0.00 54.13 51.96 1j0g s LEU 81 Cb -0.11 0.86 -0.02 0.00 0.03 0.00 0.00 46.19 46.95 1j0g s LEU 81 CO 0.28 -1.16 -0.12 -0.13 0.23 0.00 0.00 176.35 175.45 1j0g s ARG 82 N -3.23 0.83 -0.31 1.70 0.52 -1.06 -3.64 118.95 113.77 1j0g s ARG 82 Ca 0.38 -0.67 -0.14 0.00 -0.52 0.00 0.00 55.73 54.78 1j0g s ARG 82 Cb 0.01 -0.80 -0.03 0.00 0.52 0.00 0.00 34.95 34.65 1j0g s ARG 82 CO 0.27 0.20 0.33 -1.50 0.02 0.00 0.00 175.30 174.62 1j0g s ILE 83 N -0.79 5.20 0.22 1.52 2.07 -1.26 -2.05 121.20 126.11 1j0g s ILE 83 Ca 0.00 0.23 0.10 0.00 -1.41 0.00 0.00 60.65 59.58 1j0g s ILE 83 Cb -0.07 -3.72 -0.05 0.00 0.13 0.00 0.00 42.46 38.75 1j0g s ILE 83 CO 0.01 0.06 -0.19 0.27 -1.91 0.00 0.00 174.94 173.17 1j0g s ILE 84 N 1.98 2.15 0.51 2.00 -4.36 0.06 -4.25 121.20 119.29 1j0g s ILE 84 Ca 0.12 -2.20 -0.19 0.00 -0.26 0.00 0.00 60.65 58.12 1j0g s ILE 84 Cb -0.16 -2.12 -0.07 0.00 1.25 0.00 0.00 42.46 41.36 1j0g s ILE 84 CO 0.11 -0.38 1.04 -2.16 0.24 0.00 0.00 174.94 173.79 1j0g s PRO 85 N -3.25 3.70 0.00 0.37 0.04 -1.26 0.11 135.00 134.70 1j0g s PRO 85 Ca 0.24 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1j0g s PRO 85 Cb -0.05 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1j0g s PRO 85 CO 0.10 -0.51 0.95 -2.13 0.04 0.00 0.00 177.00 175.45 1j0g n ARG 86 N -1.24 0.00 -3.64 4.56 0.00 -0.45 -4.67 116.66 111.22 1j0g n ARG 86 Ca 0.09 0.82 -0.03 0.00 -0.00 0.00 0.00 57.85 58.74 1j0g n ARG 86 Cb 0.53 -1.45 -0.05 0.00 0.00 0.00 0.00 32.46 31.48 1j0g n ARG 86 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1j0g s ASP 87 N -2.75 -0.06 -0.20 6.15 1.47 -1.26 -4.99 116.67 115.03 1j0g s ASP 87 Ca 0.00 0.09 -0.07 0.00 1.18 0.00 0.00 52.55 53.75 1j0g s ASP 87 Cb 0.00 0.08 0.01 0.00 -0.34 0.00 0.00 42.92 42.67 1j0g s ASP 87 CO 0.00 -0.04 0.25 0.54 0.68 0.00 0.00 175.17 176.59 1j0g n ARG 88 N 0.92 -1.22 -3.41 2.11 3.00 -1.26 -4.20 116.66 112.60 1j0g n ARG 88 Ca -0.04 1.33 -0.17 0.00 -0.01 0.00 0.00 57.85 58.95 1j0g n ARG 88 Cb 0.58 -3.45 0.00 0.00 0.00 0.00 0.00 32.46 29.59 1j0g n ARG 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1j0g n VAL 89 N -0.30 -1.68 -1.51 1.55 3.14 -1.26 -4.64 118.33 113.63 1j0g n VAL 89 Ca 0.05 -0.09 -0.42 0.00 -2.96 0.00 0.00 64.34 60.92 1j0g n VAL 89 Cb 0.19 -1.49 -0.03 0.00 -1.06 0.00 0.00 33.84 31.45 1j0g n VAL 89 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j0g n GLY 90 N -1.25 3.07 2.64 7.55 0.00 -1.26 -4.73 105.19 111.21 1j0g n GLY 90 Ca -0.15 -1.35 -0.23 0.00 0.00 0.00 0.00 46.02 44.29 1j0g n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j0g s SER 91 N 4.46 2.48 0.00 1.61 0.01 -1.26 -4.69 113.70 116.31 1j0g s SER 91 Ca 0.55 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1j0g s SER 91 Cb 0.12 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1j0g s SER 91 CO 0.05 -0.39 0.00 0.00 0.41 0.00 0.00 173.24 173.31