#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 0.79 0.12 1.61 0.15 -1.26 -5.13 113.70 109.98 1j0g s SER 2 Ca 0.00 -1.81 -0.17 0.00 0.70 0.00 0.00 55.95 54.67 1j0g s SER 2 Cb 0.00 0.62 0.04 0.00 -1.71 0.00 0.00 66.02 64.97 1j0g s SER 2 CO 0.00 -0.22 0.43 -1.83 1.20 0.00 0.00 173.24 172.83 1j0g s GLU 3 N 1.16 1.08 0.00 5.44 -1.05 -1.26 -5.14 118.70 118.93 1j0g s GLU 3 Ca 0.21 -0.64 0.00 0.00 -0.15 0.00 0.00 54.97 54.39 1j0g s GLU 3 Cb -0.10 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 1j0g s GLU 3 CO -0.05 -0.43 0.00 0.41 0.95 0.00 0.00 175.26 176.14 1j0g n GLY 4 N -0.17 0.70 0.34 -3.83 0.00 -1.26 -5.06 105.19 95.91 1j0g n GLY 4 Ca -0.16 0.56 -0.16 0.00 0.00 0.00 0.00 46.02 46.26 1j0g n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0g h ALA 5 N 0.00 -0.82 -5.46 4.61 0.00 -2.09 -3.48 119.26 112.02 1j0g h ALA 5 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1j0g h ALA 5 Cb 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1j0g h ALA 5 CO 0.00 -0.86 -1.03 0.00 0.00 0.00 0.00 179.25 177.36 1j0g n ALA 6 N -2.58 -3.05 -0.82 0.00 0.00 -1.26 -4.90 120.51 107.91 1j0g n ALA 6 Ca -0.12 0.64 -0.35 0.00 0.00 0.00 0.00 53.44 53.60 1j0g n ALA 6 Cb 0.35 -1.40 0.11 0.00 0.00 0.00 0.00 19.45 18.51 1j0g n ALA 6 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j0g n THR 7 N 1.09 0.00 -2.45 0.00 -2.24 -1.26 -4.76 114.28 104.65 1j0g n THR 7 Ca -0.06 -0.17 -0.40 0.00 -2.27 0.00 0.00 64.05 61.15 1j0g n THR 7 Cb 0.21 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 1j0g n THR 7 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1j0g s MET 8 N -2.79 3.15 -0.30 -0.78 1.75 -1.26 -4.86 119.30 114.21 1j0g s MET 8 Ca 0.47 -0.28 -0.19 0.00 -1.25 0.00 0.00 55.69 54.45 1j0g s MET 8 Cb -0.01 -4.46 0.19 0.00 2.84 0.00 0.00 34.83 33.39 1j0g s MET 8 CO 0.66 -2.30 1.24 0.45 -0.65 0.00 0.00 175.02 174.42 1j0g s SER 9 N 4.80 -0.15 0.14 1.11 0.15 -1.26 -5.17 113.70 113.33 1j0g s SER 9 Ca 0.43 0.20 0.08 0.00 0.70 0.00 0.00 55.95 57.36 1j0g s SER 9 Cb -0.07 1.16 -0.04 0.00 -1.71 0.00 0.00 66.02 65.36 1j0g s SER 9 CO 0.11 -0.03 -0.18 -0.54 1.20 0.00 0.00 173.24 173.80 1j0g s LYS 10 N 2.05 1.17 -0.14 5.44 1.02 -1.26 -3.33 119.74 124.69 1j0g s LYS 10 Ca -0.00 -1.30 0.02 0.00 0.02 0.00 0.00 55.97 54.70 1j0g s LYS 10 Cb -0.02 -1.22 0.01 0.00 -0.52 0.00 0.00 37.83 36.08 1j0g s LYS 10 CO -0.16 0.25 -0.20 0.14 -0.92 0.00 0.00 175.35 174.46 1j0g s VAL 11 N -1.87 2.23 -0.22 3.17 -7.23 -0.49 -4.84 120.40 111.15 1j0g s VAL 11 Ca 0.12 -0.93 -0.12 0.00 -1.81 0.00 0.00 61.98 59.25 1j0g s VAL 11 Cb -0.06 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 1j0g s VAL 11 CO 0.05 0.54 0.20 -0.94 -0.31 0.00 0.00 175.10 174.65 1j0g s SER 12 N 0.75 6.21 0.37 4.85 1.04 -1.26 -3.40 113.70 122.27 1j0g s SER 12 Ca -0.08 0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.66 1j0g s SER 12 Cb -0.16 -2.13 -0.00 0.00 0.10 0.00 0.00 66.02 63.83 1j0g s SER 12 CO -0.00 0.07 0.48 -0.36 0.98 0.00 0.00 173.24 174.41 1j0g s PHE 13 N 0.91 2.95 -0.29 5.02 0.40 -1.15 -4.88 117.98 120.95 1j0g s PHE 13 Ca 0.10 -0.31 -0.03 0.00 -0.60 0.00 0.00 56.93 56.08 1j0g s PHE 13 Cb -0.13 -2.13 0.11 0.00 0.51 0.00 0.00 43.02 41.38 1j0g s PHE 13 CO 0.04 -0.15 0.16 0.21 0.70 0.00 0.00 175.22 176.18 1j0g s LYS 14 N -4.22 0.21 0.17 0.44 2.20 -0.45 -2.78 119.74 115.31 1j0g s LYS 14 Ca 0.48 -0.48 0.11 0.00 -0.36 0.00 0.00 55.97 55.73 1j0g s LYS 14 Cb -0.09 -1.08 -0.04 0.00 -1.51 0.00 0.00 37.83 35.11 1j0g s LYS 14 CO 0.31 -1.02 -0.22 0.42 -0.36 0.00 0.00 175.35 174.48 1j0g s ILE 15 N 2.13 2.49 0.00 5.43 1.01 -1.22 -2.29 121.20 128.76 1j0g s ILE 15 Ca 0.09 -1.89 0.01 0.00 0.00 0.00 0.00 60.65 58.85 1j0g s ILE 15 Cb -0.16 -2.18 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 1j0g s ILE 15 CO -0.36 -0.06 -0.02 -0.89 0.00 0.00 0.00 174.94 173.61 1j0g s THR 16 N -1.53 0.14 0.32 2.92 2.01 -1.25 -2.69 115.64 115.56 1j0g s THR 16 Ca 0.20 -0.15 -0.29 0.00 0.31 0.00 0.00 61.69 61.76 1j0g s THR 16 Cb -0.09 -0.14 -0.10 0.00 0.01 0.00 0.00 72.50 72.18 1j0g s THR 16 CO 0.10 -0.01 1.36 -0.22 -0.69 0.00 0.00 174.62 175.16 1j0g s LEU 17 N -0.17 4.40 -0.19 4.42 2.96 -1.17 -3.35 118.68 125.57 1j0g s LEU 17 Ca -0.01 2.72 0.08 0.00 -0.22 0.00 0.00 54.13 56.71 1j0g s LEU 17 Cb -0.02 -3.65 -0.17 0.00 0.50 0.00 0.00 46.19 42.86 1j0g s LEU 17 CO -0.00 -0.61 -0.07 0.35 -1.32 0.00 0.00 176.35 174.70 1j0g n THR 18 N 1.12 1.19 0.00 3.68 -2.24 -1.24 -4.48 114.28 112.30 1j0g n THR 18 Ca 0.02 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1j0g n THR 18 Cb 0.41 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 1j0g n THR 18 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1j0g n SER 19 N -2.87 0.00 -4.30 3.42 2.88 -1.26 -4.75 113.62 106.74 1j0g n SER 19 Ca -0.33 0.10 -0.35 0.00 -1.33 0.00 0.00 58.87 56.96 1j0g n SER 19 Cb 0.97 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.50 1j0g n SER 19 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1j0g n ASP 20 N -0.12 -3.08 -2.68 -3.46 9.92 -1.26 -4.98 116.55 110.90 1j0g n ASP 20 Ca 0.00 0.40 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 1j0g n ASP 20 Cb 0.00 -1.05 0.00 0.00 -0.64 0.00 0.00 41.12 39.43 1j0g n ASP 20 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1j0g n PRO 21 N 0.08 0.14 0.00 -0.24 -0.04 -1.26 -4.25 135.00 129.42 1j0g n PRO 21 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1j0g n PRO 21 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.71 0.00 -1.59 0.54 1.74 -1.26 -4.43 116.66 110.94 1j0g n ARG 22 Ca 0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1j0g n ARG 22 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1j0g n ARG 22 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1j0g n LEU 23 N 0.00 -2.31 -4.80 0.55 7.94 -1.26 -5.05 117.00 112.06 1j0g n LEU 23 Ca 0.00 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.61 1j0g n LEU 23 Cb 0.00 -1.15 0.10 0.00 0.53 0.00 0.00 43.42 42.90 1j0g n LEU 23 CO 0.00 -0.09 0.71 -2.16 -1.11 0.00 0.00 177.39 174.75 1j0g s PRO 24 N -2.62 1.92 0.12 1.96 0.04 -1.26 -4.84 135.00 130.31 1j0g s PRO 24 Ca 0.00 0.57 0.04 0.00 0.04 0.00 0.00 61.00 61.66 1j0g s PRO 24 Cb -0.00 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1j0g s PRO 24 CO 0.05 -1.72 -0.11 1.52 0.04 0.00 0.00 177.00 176.77 1j0g s TYR 25 N -3.18 1.21 -0.21 0.56 -0.85 -1.26 -3.05 117.35 110.56 1j0g s TYR 25 Ca 0.61 -0.66 -0.12 0.00 -0.52 0.00 0.00 57.07 56.38 1j0g s TYR 25 Cb -0.14 -0.64 0.07 0.00 0.38 0.00 0.00 41.96 41.63 1j0g s TYR 25 CO 0.54 0.06 0.53 -1.59 -1.52 0.00 0.00 175.55 173.57 1j0g s LYS 26 N -3.02 0.53 -0.26 -3.49 0.00 -1.09 -5.04 119.74 107.37 1j0g s LYS 26 Ca 0.09 0.96 -0.12 0.00 0.00 0.00 0.00 55.97 56.90 1j0g s LYS 26 Cb -0.02 0.06 -0.05 0.00 0.00 0.00 0.00 37.83 37.83 1j0g s LYS 26 CO 0.01 -0.15 0.25 0.08 0.00 0.00 0.00 175.35 175.54 1j0g s VAL 27 N 1.42 5.28 0.42 1.79 1.01 -1.26 -3.39 120.40 125.67 1j0g s VAL 27 Ca -0.09 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1j0g s VAL 27 Cb -0.07 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1j0g s VAL 27 CO -0.15 0.25 0.64 -0.22 0.00 0.00 0.00 175.10 175.62 1j0g s LEU 28 N 1.60 3.76 -0.18 3.92 0.20 -1.12 -4.91 118.68 121.95 1j0g s LEU 28 Ca 0.10 0.38 -0.05 0.00 0.69 0.00 0.00 54.13 55.25 1j0g s LEU 28 Cb -0.15 -3.25 0.07 0.00 -0.43 0.00 0.00 46.19 42.43 1j0g s LEU 28 CO 0.09 -0.56 0.13 -0.55 -0.29 0.00 0.00 176.35 175.16 1j0g s SER 29 N -4.15 2.12 0.09 3.68 0.15 -1.26 -2.91 113.70 111.42 1j0g s SER 29 Ca 0.46 -0.53 -0.04 0.00 0.70 0.00 0.00 55.95 56.53 1j0g s SER 29 Cb -0.10 -0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.12 1j0g s SER 29 CO 0.38 -0.35 0.09 0.68 1.20 0.00 0.00 173.24 175.24 1j0g s VAL 30 N 2.19 0.15 -0.11 4.45 -7.23 -1.22 -5.01 120.40 113.62 1j0g s VAL 30 Ca 0.04 -1.60 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 1j0g s VAL 30 Cb -0.16 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.12 1j0g s VAL 30 CO -0.11 -0.68 1.25 -2.16 -0.31 0.00 0.00 175.10 173.08 1j0g s PRO 31 N -3.94 4.28 0.26 4.82 0.04 -1.26 -1.40 135.00 137.80 1j0g s PRO 31 Ca 0.12 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.85 1j0g s PRO 31 Cb 0.06 -3.68 0.61 0.00 0.04 0.00 0.00 34.50 31.54 1j0g s PRO 31 CO -0.06 -0.60 1.30 -0.85 0.04 0.00 0.00 177.00 176.83 1j0g n GLU 32 N 5.99 -0.07 -0.30 4.56 0.28 -1.21 0.18 120.64 130.08 1j0g n GLU 32 Ca 0.13 1.25 0.06 0.00 -0.16 0.00 0.00 57.16 58.44 1j0g n GLU 32 Cb 0.45 -1.98 0.15 0.00 1.43 0.00 0.00 31.44 31.50 1j0g n GLU 32 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1j0g h SER 33 N 0.00 -0.62 -3.64 -1.84 0.87 -1.90 -1.94 113.55 104.47 1j0g h SER 33 Ca 0.49 0.24 -0.56 0.00 -1.23 0.00 0.00 61.79 60.73 1j0g h SER 33 Cb 0.99 0.47 0.14 0.00 -0.44 0.00 0.00 62.40 63.57 1j0g h SER 33 CO -0.79 -0.27 0.36 0.41 -0.53 0.00 0.00 176.83 176.02 1j0g n THR 34 N -5.48 3.36 -1.69 2.23 -1.04 0.49 -4.30 114.28 107.85 1j0g n THR 34 Ca 0.15 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.34 1j0g n THR 34 Cb 0.50 -1.40 0.04 0.00 -1.82 0.00 0.00 70.33 67.64 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 -2.59 3.04 0.00 -2.82 0.04 -1.26 0.17 135.00 131.57 1j0g s PRO 35 Ca 0.70 1.01 0.28 0.00 0.04 0.00 0.00 61.00 63.03 1j0g s PRO 35 Cb -0.45 -2.00 1.25 0.00 0.04 0.00 0.00 34.50 33.34 1j0g s PRO 35 CO 0.51 -1.02 1.92 0.34 0.04 0.00 0.00 177.00 178.79 1j0g n PHE 36 N -2.87 0.00 -0.00 0.56 -0.00 -1.26 -3.24 117.46 110.65 1j0g n PHE 36 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.45 1j0g n PHE 36 Cb 0.53 -0.46 0.09 0.00 -0.00 0.00 0.00 39.48 39.65 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 1.31 0.00 -2.13 1.03 -1.90 -2.49 112.91 108.72 1j0g h THR 37 Ca 0.00 -1.63 -0.02 0.00 -0.01 0.00 0.00 66.41 64.75 1j0g h THR 37 Cb 0.44 1.61 -0.00 0.00 -1.07 0.00 0.00 68.15 69.13 1j0g h THR 37 CO 0.00 0.51 -0.09 0.00 -0.01 0.00 0.00 175.52 175.93 1j0g h ALA 38 N 1.07 0.96 -0.31 0.00 0.00 -1.95 -3.11 119.26 115.91 1j0g h ALA 38 Ca 0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1j0g h ALA 38 Cb 0.95 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1j0g h ALA 38 CO 0.08 0.12 -0.13 0.28 0.00 0.00 0.00 179.25 179.61 1j0g h VAL 39 N 0.00 1.29 -0.02 0.00 2.07 -1.55 -2.45 116.25 115.59 1j0g h VAL 39 Ca -0.00 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.32 1j0g h VAL 39 Cb 0.88 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1j0g h VAL 39 CO 0.01 0.39 -0.28 0.25 0.02 0.00 0.00 177.57 177.96 1j0g h LEU 40 N 0.39 -0.87 -0.49 2.57 6.46 -1.43 0.81 115.31 122.75 1j0g h LEU 40 Ca 0.07 0.10 0.06 0.00 -0.12 0.00 0.00 57.88 57.99 1j0g h LEU 40 Cb 0.64 0.33 -0.09 0.00 -0.73 0.00 0.00 40.66 40.81 1j0g h LEU 40 CO 0.04 -0.27 -0.52 0.11 -0.62 0.00 0.00 178.44 177.18 1j0g h LYS 41 N -0.34 -0.32 -0.70 1.25 1.57 -1.64 0.32 116.57 116.72 1j0g h LYS 41 Ca 0.01 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 58.96 1j0g h LYS 41 Cb 0.37 0.07 -0.11 0.00 0.08 0.00 0.00 32.23 32.64 1j0g h LYS 41 CO -0.20 -0.21 0.07 0.35 -0.57 0.00 0.00 179.45 178.90 1j0g h PHE 42 N -0.33 0.08 0.00 -1.35 3.04 -0.92 0.58 116.94 118.05 1j0g h PHE 42 Ca 0.11 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1j0g h PHE 42 Cb 0.58 0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.16 1j0g h PHE 42 CO -0.74 -0.16 0.00 0.00 -2.02 0.00 0.00 178.31 175.40 1j0g n ALA 43 N -2.78 -0.44 -0.43 2.41 0.00 0.28 -1.28 120.51 118.26 1j0g n ALA 43 Ca 0.12 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.91 1j0g n ALA 43 Cb 0.43 0.03 0.64 0.00 0.00 0.00 0.00 19.45 20.55 1j0g n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g h ALA 44 N -1.94 2.70 -0.35 0.00 0.00 -0.17 1.29 119.26 120.79 1j0g h ALA 44 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1j0g h ALA 44 Cb 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1j0g h ALA 44 CO 0.00 -1.29 0.22 0.93 0.00 0.00 0.00 179.25 179.11 1j0g h GLU 45 N 0.13 0.43 -0.17 0.00 5.08 0.66 0.24 114.58 120.95 1j0g h GLU 45 Ca 0.78 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 59.11 1j0g h GLU 45 Cb 2.44 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.59 1j0g h GLU 45 CO -0.38 0.28 0.07 0.93 -1.00 0.00 0.00 179.01 178.91 1j0g h GLU 46 N 0.44 0.25 0.00 2.33 5.08 0.30 -1.80 114.58 121.18 1j0g h GLU 46 Ca 0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1j0g h GLU 46 Cb -0.02 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1j0g h GLU 46 CO -0.05 0.31 0.00 0.74 -1.00 0.00 0.00 179.01 179.01 1j0g h PHE 47 N 0.13 0.00 -4.03 4.33 0.04 -0.95 -3.46 116.94 113.00 1j0g h PHE 47 Ca 0.06 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.75 1j0g h PHE 47 Cb 0.15 0.00 0.06 0.00 2.20 0.00 0.00 35.95 38.36 1j0g h PHE 47 CO -0.02 0.00 -0.27 1.17 -0.60 0.00 0.00 178.31 178.59 1j0g n LYS 48 N -2.52 -0.85 -3.90 1.51 4.81 0.62 -5.07 118.16 112.75 1j0g n LYS 48 Ca -0.00 0.51 -0.09 0.00 -0.87 0.00 0.00 58.31 57.86 1j0g n LYS 48 Cb 0.16 -3.32 -0.07 0.00 0.02 0.00 0.00 35.03 31.81 1j0g n LYS 48 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1j0g s VAL 49 N -3.12 0.13 0.04 3.15 -7.23 -0.00 -5.02 120.40 108.34 1j0g s VAL 49 Ca 0.15 -1.29 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 1j0g s VAL 49 Cb -0.02 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.39 1j0g s VAL 49 CO 0.31 -0.60 1.17 -2.16 -0.31 0.00 0.00 175.10 173.52 1j0g s PRO 50 N -3.89 4.44 0.12 4.82 0.04 -1.26 -4.30 135.00 134.97 1j0g s PRO 50 Ca 0.08 1.71 0.26 0.00 0.04 0.00 0.00 61.00 63.10 1j0g s PRO 50 Cb 0.05 -3.38 0.80 0.00 0.04 0.00 0.00 34.50 32.00 1j0g s PRO 50 CO -0.08 -0.25 1.70 0.00 0.04 0.00 0.00 177.00 178.40 1j0g n ALA 51 N 4.06 2.52 -0.06 8.56 0.00 -1.26 -3.32 120.51 131.01 1j0g n ALA 51 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 1j0g n ALA 51 Cb 0.47 -1.38 0.25 0.00 0.00 0.00 0.00 19.45 18.79 1j0g n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g h ALA 52 N 2.68 1.30 -0.63 0.00 0.00 -1.98 -2.79 119.26 117.84 1j0g h ALA 52 Ca 0.00 -0.20 -0.46 0.00 0.00 0.00 0.00 54.91 54.25 1j0g h ALA 52 Cb 0.66 -0.18 -0.34 0.00 0.00 0.00 0.00 17.79 17.93 1j0g h ALA 52 CO 0.00 0.48 -0.62 0.25 0.00 0.00 0.00 179.25 179.36 1j0g n THR 53 N -4.28 2.56 -4.41 0.00 -2.24 -1.21 -4.90 114.28 99.79 1j0g n THR 53 Ca 0.03 -3.91 -0.25 0.00 -2.27 0.00 0.00 64.05 57.64 1j0g n THR 53 Cb 0.23 -0.96 -0.11 0.00 -2.10 0.00 0.00 70.33 67.39 1j0g n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1j0g s SER 54 N -3.37 3.27 -0.06 3.42 1.04 -1.05 -1.64 113.70 115.31 1j0g s SER 54 Ca 0.50 -0.91 -0.30 0.00 0.48 0.00 0.00 55.95 55.72 1j0g s SER 54 Cb 0.41 -0.24 0.09 0.00 0.10 0.00 0.00 66.02 66.38 1j0g s SER 54 CO 0.02 0.06 0.76 0.00 0.98 0.00 0.00 173.24 175.06 1j0g s ALA 55 N -1.98 -1.80 -0.04 5.32 0.00 0.15 -4.36 121.76 119.05 1j0g s ALA 55 Ca 0.22 1.30 0.05 0.00 0.00 0.00 0.00 51.96 53.53 1j0g s ALA 55 Cb -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1j0g s ALA 55 CO 0.10 -0.40 -0.18 0.42 0.00 0.00 0.00 175.76 175.70 1j0g s ILE 56 N -1.47 2.72 0.21 0.00 1.01 -1.26 0.18 121.20 122.59 1j0g s ILE 56 Ca -0.07 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 1j0g s ILE 56 Cb -0.00 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1j0g s ILE 56 CO 0.05 0.59 0.19 0.27 0.00 0.00 0.00 174.94 176.04 1j0g s ILE 57 N -0.66 0.00 0.00 2.92 -4.36 0.20 -3.87 121.20 115.43 1j0g s ILE 57 Ca 0.10 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 1j0g s ILE 57 Cb -0.11 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.16 1j0g s ILE 57 CO 0.00 0.00 0.00 0.35 0.24 0.00 0.00 174.94 175.53 1j0g n THR 58 N -0.29 0.00 -2.02 8.37 -2.24 0.15 0.61 114.28 118.86 1j0g n THR 58 Ca 0.01 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 1j0g n THR 58 Cb 0.65 -0.84 0.02 0.00 -2.10 0.00 0.00 70.33 68.06 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 -0.88 5.61 0.00 3.42 -0.87 -1.26 -3.40 114.94 117.56 1j0g s ASN 59 Ca 0.00 1.92 0.00 0.00 -1.57 0.00 0.00 52.86 53.21 1j0g s ASN 59 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 1j0g s ASN 59 CO 0.00 -1.29 0.00 -0.67 -2.57 0.00 0.00 177.10 172.57 1j0g n ASP 60 N -1.99 0.00 0.00 -1.22 -0.08 -1.26 -3.85 116.55 108.15 1j0g n ASP 60 Ca 0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 1j0g n ASP 60 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1j0g n ASP 60 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j0g n GLY 61 N 0.00 0.26 3.15 0.27 0.00 -1.22 -5.14 105.19 102.51 1j0g n GLY 61 Ca 0.00 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 2.12 0.00 -0.61 -1.09 -1.25 -4.95 121.20 115.43 1j0g s ILE 62 Ca 0.00 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 1j0g s ILE 62 Cb 0.00 -1.87 0.00 0.00 -1.58 0.00 0.00 42.46 39.01 1j0g s ILE 62 CO 0.00 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 1j0g n GLY 63 N 4.36 -2.58 3.02 6.18 0.00 -1.26 0.33 105.19 115.24 1j0g n GLY 63 Ca -0.20 -1.36 -0.14 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.39 0.49 -0.38 -0.61 1.01 -1.25 -4.57 121.20 115.51 1j0g s ILE 64 Ca 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 1j0g s ILE 64 Cb 0.00 -0.50 0.09 0.00 0.01 0.00 0.00 42.46 42.06 1j0g s ILE 64 CO 0.00 -0.15 0.15 0.20 0.00 0.00 0.00 174.94 175.14 1j0g s ASN 65 N -0.91 5.20 -0.20 3.58 -0.87 -1.26 -4.98 114.94 115.51 1j0g s ASN 65 Ca -0.04 -1.74 -0.05 0.00 -1.57 0.00 0.00 52.86 49.46 1j0g s ASN 65 Cb -0.06 -1.82 -0.18 0.00 -0.02 0.00 0.00 41.25 39.17 1j0g s ASN 65 CO 0.00 -0.46 2.78 -0.81 -2.57 0.00 0.00 177.10 176.04 1j0g n PRO 66 N 4.64 1.70 0.05 -0.60 -0.04 -1.26 -3.96 135.00 135.54 1j0g n PRO 66 Ca -0.06 -0.91 0.07 0.00 -0.04 0.00 0.00 63.50 62.56 1j0g n PRO 66 Cb 0.42 -1.99 -0.07 0.00 -0.04 0.00 0.00 33.50 31.82 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 2.84 2.39 -2.61 0.55 0.00 -1.26 -4.87 120.51 117.55 1j0g n ALA 67 Ca 0.37 -0.44 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 1j0g n ALA 67 Cb 0.60 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.25 1.95 0.70 0.00 0.00 -1.25 -5.12 119.66 112.69 1j0g s GLN 68 Ca -0.03 -2.13 -0.16 0.00 -0.00 0.00 0.00 55.36 53.03 1j0g s GLN 68 Cb 0.10 -1.46 0.02 0.00 0.00 0.00 0.00 33.01 31.67 1j0g s GLN 68 CO 0.83 -0.14 1.23 0.25 0.00 0.00 0.00 175.29 177.45 1j0g n THR 69 N -0.97 3.89 -0.24 3.63 -2.24 -1.26 -4.26 114.28 112.83 1j0g n THR 69 Ca -0.07 -0.40 0.03 0.00 -2.27 0.00 0.00 64.05 61.34 1j0g n THR 69 Cb 0.67 -1.36 0.13 0.00 -2.10 0.00 0.00 70.33 67.67 1j0g n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j0g h ALA 70 N 0.04 0.68 -0.10 6.98 0.00 0.22 1.58 119.26 128.66 1j0g h ALA 70 Ca -0.49 0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1j0g h ALA 70 Cb 1.33 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1j0g h ALA 70 CO 0.50 -0.41 0.15 0.78 0.00 0.00 0.00 179.25 180.27 1j0g h GLY 71 N 0.09 0.00 0.47 0.00 0.00 -1.53 1.65 103.07 103.76 1j0g h GLY 71 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1j0g h GLY 71 CO -0.63 0.00 -1.08 0.70 0.00 0.00 0.00 176.54 175.53 1j0g n ASN 72 N -3.58 0.61 -0.08 0.19 4.13 0.49 -3.20 115.26 113.82 1j0g n ASN 72 Ca -0.00 -0.31 -0.23 0.00 1.68 0.00 0.00 54.58 55.72 1j0g n ASN 72 Cb 0.25 0.90 -0.12 0.00 -1.54 0.00 0.00 39.78 39.27 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 -1.90 1.60 0.48 2.41 0.31 0.19 -3.05 118.33 118.37 1j0g n VAL 73 Ca 0.02 -0.37 0.12 0.00 -0.01 0.00 0.00 64.34 64.10 1j0g n VAL 73 Cb 0.43 -1.82 0.46 0.00 -0.91 0.00 0.00 33.84 31.99 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 -3.94 0.73 -0.00 3.52 -1.74 0.51 -0.24 117.46 116.30 1j0g n PHE 74 Ca -0.39 0.27 -0.22 0.00 -0.56 0.00 0.00 57.45 56.55 1j0g n PHE 74 Cb 0.88 -0.93 -0.14 0.00 1.52 0.00 0.00 39.48 40.81 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 -2.15 2.57 -0.00 5.98 7.94 -1.19 0.02 117.00 130.17 1j0g n LEU 75 Ca 0.03 0.23 -0.18 0.00 -1.11 0.00 0.00 56.01 54.99 1j0g n LEU 75 Cb 0.27 -1.11 -0.09 0.00 0.53 0.00 0.00 43.42 43.02 1j0g n LEU 75 CO 0.22 0.81 0.24 0.07 -1.11 0.00 0.00 177.39 177.62 1j0g h LYS 76 N -0.02 0.64 0.00 1.96 2.10 -1.44 -3.36 116.57 116.45 1j0g h LYS 76 Ca -0.42 -0.59 -0.23 0.00 -2.00 0.00 0.00 60.65 57.41 1j0g h LYS 76 Cb 1.98 0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 33.42 1j0g h LYS 76 CO 0.07 1.20 -1.28 0.72 -2.00 0.00 0.00 179.45 178.15 1j0g n HIS 77 N -4.04 0.97 0.00 0.07 8.25 0.67 -5.09 115.22 116.05 1j0g n HIS 77 Ca -0.09 0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1j0g n HIS 77 Cb 0.73 -1.08 0.00 0.00 1.12 0.00 0.00 29.99 30.76 1j0g n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j0g n GLY 78 N 1.43 0.60 0.10 -1.41 0.00 0.10 -4.90 105.19 101.12 1j0g n GLY 78 Ca -0.32 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.47 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 1.45 1.25 -4.54 1.61 3.41 -1.21 -4.23 113.62 111.36 1j0g n SER 79 Ca 0.00 -0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.13 1j0g n SER 79 Cb 0.00 0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 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 -2.44 3.36 0.17 4.33 2.02 -1.26 -1.35 118.70 123.53 1j0g s GLU 80 Ca -0.18 -0.13 0.01 0.00 0.02 0.00 0.00 54.97 54.69 1j0g s GLU 80 Cb 0.06 -4.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.18 1j0g s GLU 80 CO 0.65 -1.65 0.04 -0.51 0.02 0.00 0.00 175.26 173.81 1j0g s LEU 81 N 4.49 1.86 -0.02 1.80 1.43 -0.97 -4.64 118.68 122.64 1j0g s LEU 81 Ca 0.35 -1.23 0.07 0.00 -1.03 0.00 0.00 54.13 52.29 1j0g s LEU 81 Cb -0.11 0.10 -0.02 0.00 0.03 0.00 0.00 46.19 46.20 1j0g s LEU 81 CO 0.20 -0.67 -0.24 -0.13 0.23 0.00 0.00 176.35 175.74 1j0g s ARG 82 N -3.99 2.00 -0.39 1.70 0.52 0.20 -3.75 118.95 115.23 1j0g s ARG 82 Ca 0.27 -0.87 -0.16 0.00 -0.52 0.00 0.00 55.73 54.45 1j0g s ARG 82 Cb 0.07 -1.92 0.01 0.00 0.52 0.00 0.00 34.95 33.63 1j0g s ARG 82 CO 0.05 0.52 0.41 -1.50 0.02 0.00 0.00 175.30 174.80 1j0g s ILE 83 N -0.56 5.12 0.20 1.52 2.07 -1.21 0.61 121.20 128.96 1j0g s ILE 83 Ca 0.09 -0.20 0.08 0.00 -1.41 0.00 0.00 60.65 59.21 1j0g s ILE 83 Cb -0.10 -3.95 -0.04 0.00 0.13 0.00 0.00 42.46 38.50 1j0g s ILE 83 CO -0.01 -0.29 0.01 0.27 -1.91 0.00 0.00 174.94 173.01 1j0g s ILE 84 N 2.08 3.70 -0.08 2.00 -5.25 0.47 -3.72 121.20 120.40 1j0g s ILE 84 Ca 0.12 -1.56 -0.30 0.00 -0.99 0.00 0.00 60.65 57.93 1j0g s ILE 84 Cb -0.17 -2.90 -0.03 0.00 2.95 0.00 0.00 42.46 42.31 1j0g s ILE 84 CO 0.13 -0.20 1.23 -2.16 -1.79 0.00 0.00 174.94 172.15 1j0g s PRO 85 N -3.21 4.31 -0.47 0.37 0.04 -1.26 0.33 135.00 135.12 1j0g s PRO 85 Ca 0.29 1.69 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 1j0g s PRO 85 Cb -0.08 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.84 1j0g s PRO 85 CO 0.19 -0.53 1.51 1.03 0.04 0.00 0.00 177.00 179.24 1j0g s ARG 86 N 2.58 3.37 -0.20 4.56 1.81 -0.65 -4.26 118.95 126.16 1j0g s ARG 86 Ca 0.56 0.83 -0.10 0.00 -1.72 0.00 0.00 55.73 55.30 1j0g s ARG 86 Cb -0.24 -4.11 0.04 0.00 -0.45 0.00 0.00 34.95 30.18 1j0g s ARG 86 CO 0.20 -1.83 0.19 -3.47 -0.68 0.00 0.00 175.30 169.71 1j0g n ASP 87 N 9.63 -1.78 -0.00 0.23 -0.08 -1.26 -4.69 116.55 118.59 1j0g n ASP 87 Ca 0.16 1.28 -0.13 0.00 -1.51 0.00 0.00 54.79 54.60 1j0g n ASP 87 Cb 0.49 -5.01 -0.09 0.00 2.34 0.00 0.00 41.12 38.84 1j0g n ASP 87 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1j0g h ARG 88 N 3.64 0.02 -7.50 -0.67 3.08 -1.96 -3.44 114.38 107.54 1j0g h ARG 88 Ca -0.44 -0.01 -0.48 0.00 0.07 0.00 0.00 59.98 59.12 1j0g h ARG 88 Cb 0.98 -0.00 0.09 0.00 0.08 0.00 0.00 29.97 31.12 1j0g h ARG 88 CO 0.03 0.37 0.39 0.14 -1.07 0.00 0.00 179.97 179.83 1j0g s VAL 89 N -4.76 3.02 -2.74 2.04 -7.23 -1.26 -5.00 120.40 104.47 1j0g s VAL 89 Ca -0.15 0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 1j0g s VAL 89 Cb 0.03 -3.27 0.00 0.00 0.56 0.00 0.00 36.38 33.70 1j0g s VAL 89 CO 0.67 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 1j0g n GLY 90 N -2.88 0.89 0.08 2.32 0.00 -1.26 -4.98 105.19 99.36 1j0g n GLY 90 Ca 0.07 -2.11 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 1j0g n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j0g n SER 91 N 1.65 1.85 0.00 1.61 2.88 -1.26 -5.26 113.62 115.09 1j0g n SER 91 Ca 0.00 0.52 0.16 0.00 -1.33 0.00 0.00 58.87 58.22 1j0g n SER 91 Cb 0.00 -0.84 0.95 0.00 -0.75 0.00 0.00 64.21 63.56 1j0g n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81