#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 0.32 -0.25 1.61 1.04 -1.26 -5.14 113.70 110.02 1j0g s SER 2 Ca 0.00 -1.15 -0.06 0.00 0.48 0.00 0.00 55.95 55.22 1j0g s SER 2 Cb 0.00 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.39 1j0g s SER 2 CO 0.00 -0.72 0.03 -1.61 0.98 0.00 0.00 173.24 171.93 1j0g s GLU 3 N -4.02 3.49 0.00 4.02 2.02 -1.26 -5.02 118.70 117.93 1j0g s GLU 3 Ca 0.20 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.62 1j0g s GLU 3 Cb 0.07 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1j0g s GLU 3 CO -0.01 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.46 1j0g n GLY 4 N 4.88 1.51 2.77 -1.39 0.00 -1.26 -5.15 105.19 106.54 1j0g n GLY 4 Ca -0.17 0.47 -0.23 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.74 -0.28 4.61 0.00 -1.26 -4.95 121.76 120.62 1j0g s ALA 5 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 1j0g s ALA 5 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1j0g s ALA 5 CO 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 175.76 175.24 1j0g n ALA 6 N 5.14 -3.38 -0.08 0.00 0.00 -1.26 -5.01 120.51 115.91 1j0g n ALA 6 Ca -0.07 0.51 -0.17 0.00 0.00 0.00 0.00 53.44 53.71 1j0g n ALA 6 Cb 0.50 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 0.78 1.19 0.01 0.00 -2.24 -1.26 -5.07 114.28 107.69 1j0g n THR 7 Ca -0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1j0g n THR 7 Cb 0.06 -1.88 0.00 0.00 -2.10 0.00 0.00 70.33 66.41 1j0g n THR 7 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1j0g n MET 8 N -3.98 0.00 -3.66 -0.78 2.81 -1.26 -5.10 117.12 105.15 1j0g n MET 8 Ca -0.30 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.32 1j0g n MET 8 Cb 0.65 0.00 -0.17 0.00 -0.71 0.00 0.00 33.22 32.99 1j0g n MET 8 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1j0g s SER 9 N -1.69 2.64 0.38 7.83 0.01 -1.26 -5.13 113.70 116.47 1j0g s SER 9 Ca 0.00 -0.73 0.05 0.00 1.31 0.00 0.00 55.95 56.58 1j0g s SER 9 Cb 0.00 -0.40 -0.06 0.00 0.21 0.00 0.00 66.02 65.76 1j0g s SER 9 CO 0.00 -0.34 0.04 -0.54 0.41 0.00 0.00 173.24 172.81 1j0g s LYS 10 N 2.01 1.85 -0.11 12.44 1.02 -1.26 -3.65 119.74 132.05 1j0g s LYS 10 Ca 0.01 -2.06 -0.04 0.00 0.02 0.00 0.00 55.97 53.90 1j0g s LYS 10 Cb -0.16 -1.26 0.06 0.00 -0.52 0.00 0.00 37.83 35.94 1j0g s LYS 10 CO -0.10 -0.15 0.22 0.14 -0.92 0.00 0.00 175.35 174.54 1j0g s VAL 11 N -2.99 -0.34 0.12 3.17 -7.23 0.02 -4.74 120.40 108.41 1j0g s VAL 11 Ca 0.33 0.30 -0.04 0.00 -1.81 0.00 0.00 61.98 60.76 1j0g s VAL 11 Cb 0.08 -0.38 -0.05 0.00 0.56 0.00 0.00 36.38 36.59 1j0g s VAL 11 CO 0.16 0.13 0.35 -0.94 -0.31 0.00 0.00 175.10 174.48 1j0g s SER 12 N 2.32 6.47 0.09 4.85 1.04 -1.26 -3.25 113.70 123.97 1j0g s SER 12 Ca 0.01 0.54 0.08 0.00 0.48 0.00 0.00 55.95 57.06 1j0g s SER 12 Cb -0.12 -2.07 -0.03 0.00 0.10 0.00 0.00 66.02 63.90 1j0g s SER 12 CO -0.07 0.08 -0.20 -0.36 0.98 0.00 0.00 173.24 173.66 1j0g s PHE 13 N -1.61 1.75 -0.39 5.02 0.40 -1.05 -4.90 117.98 117.20 1j0g s PHE 13 Ca 0.39 -0.41 0.03 0.00 -0.60 0.00 0.00 56.93 56.34 1j0g s PHE 13 Cb -0.12 -0.97 0.11 0.00 0.51 0.00 0.00 43.02 42.55 1j0g s PHE 13 CO 0.25 0.18 0.13 0.21 0.70 0.00 0.00 175.22 176.68 1j0g s LYS 14 N -1.78 1.44 -0.08 0.44 2.20 -1.19 -2.07 119.74 118.69 1j0g s LYS 14 Ca 0.06 -1.93 0.02 0.00 -0.36 0.00 0.00 55.97 53.77 1j0g s LYS 14 Cb -0.10 -2.91 -0.02 0.00 -1.51 0.00 0.00 37.83 33.29 1j0g s LYS 14 CO 0.04 -1.02 -0.14 0.42 -0.36 0.00 0.00 175.35 174.29 1j0g s ILE 15 N 0.68 3.05 -0.06 5.43 1.01 -1.25 -3.16 121.20 126.90 1j0g s ILE 15 Ca 0.13 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.11 1j0g s ILE 15 Cb -0.21 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 1j0g s ILE 15 CO -0.08 0.57 -0.18 -0.89 0.00 0.00 0.00 174.94 174.36 1j0g s THR 16 N -0.37 2.69 -0.39 2.92 2.01 -1.25 -3.18 115.64 118.07 1j0g s THR 16 Ca 0.04 -0.84 -0.29 0.00 0.31 0.00 0.00 61.69 60.91 1j0g s THR 16 Cb -0.12 -2.04 -0.00 0.00 0.01 0.00 0.00 72.50 70.35 1j0g s THR 16 CO 0.02 0.57 1.55 -0.22 -0.69 0.00 0.00 174.62 175.86 1j0g s LEU 17 N -0.41 3.55 -0.32 4.42 2.96 -0.22 -3.83 118.68 124.84 1j0g s LEU 17 Ca 0.04 0.97 -0.00 0.00 -0.22 0.00 0.00 54.13 54.92 1j0g s LEU 17 Cb -0.12 -3.51 0.25 0.00 0.50 0.00 0.00 46.19 43.31 1j0g s LEU 17 CO 0.02 -1.55 1.90 0.35 -1.32 0.00 0.00 176.35 175.75 1j0g n THR 18 N 7.20 2.68 -0.04 3.68 -2.24 -1.26 -3.77 114.28 120.53 1j0g n THR 18 Ca 0.19 -1.57 -0.04 0.00 -2.27 0.00 0.00 64.05 60.36 1j0g n THR 18 Cb 0.48 -1.19 -0.04 0.00 -2.10 0.00 0.00 70.33 67.47 1j0g n THR 18 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1j0g n SER 19 N 0.13 3.42 -4.93 3.42 3.41 -1.26 -5.03 113.62 112.78 1j0g n SER 19 Ca 0.32 -0.02 -0.27 0.00 -0.26 0.00 0.00 58.87 58.64 1j0g n SER 19 Cb 0.70 0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.88 1j0g n SER 19 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1j0g s ASP 20 N -4.28 6.37 0.00 4.04 2.15 -1.25 -4.97 116.67 118.73 1j0g s ASP 20 Ca -0.07 0.33 0.24 0.00 0.43 0.00 0.00 52.55 53.48 1j0g s ASP 20 Cb 0.02 -1.98 1.42 0.00 -0.30 0.00 0.00 42.92 42.08 1j0g s ASP 20 CO 0.22 -0.02 1.80 -0.81 -0.17 0.00 0.00 175.17 176.18 1j0g n PRO 21 N -0.67 0.72 -0.00 4.34 -0.04 -1.26 -2.30 135.00 135.79 1j0g n PRO 21 Ca -0.05 0.01 0.03 0.00 -0.04 0.00 0.00 63.50 63.44 1j0g n PRO 21 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.02 0.65 -3.48 0.54 1.74 -1.26 -5.02 116.66 108.80 1j0g n ARG 22 Ca 0.18 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.11 1j0g n ARG 22 Cb 0.09 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 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 -2.60 -3.98 -4.79 0.55 4.32 -0.97 -4.91 117.00 104.61 1j0g n LEU 23 Ca -0.12 -0.60 -0.35 0.00 -0.02 0.00 0.00 56.01 54.92 1j0g n LEU 23 Cb 0.78 -2.38 -0.04 0.00 -1.62 0.00 0.00 43.42 40.16 1j0g n LEU 23 CO 0.44 -0.23 0.72 -2.16 -1.22 0.00 0.00 177.39 174.94 1j0g s PRO 24 N -4.23 3.96 0.24 3.23 0.04 -1.26 -4.73 135.00 132.25 1j0g s PRO 24 Ca 0.04 1.43 0.08 0.00 0.04 0.00 0.00 61.00 62.59 1j0g s PRO 24 Cb -0.01 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 1j0g s PRO 24 CO 0.83 -0.31 -0.13 1.52 0.04 0.00 0.00 177.00 178.96 1j0g s TYR 25 N -1.84 1.89 -0.22 0.56 1.13 -1.26 -1.05 117.35 116.56 1j0g s TYR 25 Ca 0.63 -0.57 -0.12 0.00 -1.41 0.00 0.00 57.07 55.61 1j0g s TYR 25 Cb -0.19 -0.94 0.07 0.00 -1.10 0.00 0.00 41.96 39.81 1j0g s TYR 25 CO 0.23 0.40 0.53 -1.59 -2.51 0.00 0.00 175.55 172.61 1j0g s LYS 26 N -3.65 0.52 -0.33 -3.49 0.00 -1.19 -5.03 119.74 106.58 1j0g s LYS 26 Ca 0.26 1.00 -0.19 0.00 0.00 0.00 0.00 55.97 57.03 1j0g s LYS 26 Cb -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 37.83 37.91 1j0g s LYS 26 CO 0.10 -0.16 0.59 0.08 0.00 0.00 0.00 175.35 175.95 1j0g s VAL 27 N 1.60 4.96 0.27 1.79 1.01 -1.26 -3.83 120.40 124.94 1j0g s VAL 27 Ca -0.09 0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1j0g s VAL 27 Cb -0.07 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1j0g s VAL 27 CO -0.16 -0.18 0.42 -0.22 0.00 0.00 0.00 175.10 174.97 1j0g s LEU 28 N 2.54 4.20 -0.08 3.92 2.96 -0.88 -4.93 118.68 126.41 1j0g s LEU 28 Ca 0.23 0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 54.35 1j0g s LEU 28 Cb -0.15 -3.06 0.04 0.00 0.50 0.00 0.00 46.19 43.53 1j0g s LEU 28 CO 0.13 -0.14 0.11 -0.94 -1.32 0.00 0.00 176.35 174.19 1j0g s SER 29 N -3.85 1.20 0.12 3.68 1.04 -1.26 -2.52 113.70 112.10 1j0g s SER 29 Ca 0.37 0.05 -0.13 0.00 0.48 0.00 0.00 55.95 56.72 1j0g s SER 29 Cb -0.10 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.06 1j0g s SER 29 CO 0.31 -0.27 0.32 0.68 0.98 0.00 0.00 173.24 175.27 1j0g s VAL 30 N 2.22 0.09 -0.13 5.02 -7.23 -1.20 -5.01 120.40 114.16 1j0g s VAL 30 Ca 0.04 -0.89 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 1j0g s VAL 30 Cb -0.13 -1.32 -0.02 0.00 0.56 0.00 0.00 36.38 35.47 1j0g s VAL 30 CO -0.05 -0.42 1.26 -2.16 -0.31 0.00 0.00 175.10 173.42 1j0g s PRO 31 N -3.85 4.26 0.27 4.82 0.04 -1.26 -0.80 135.00 138.48 1j0g s PRO 31 Ca 0.05 1.68 0.02 0.00 0.04 0.00 0.00 61.00 62.80 1j0g s PRO 31 Cb 0.03 -3.72 0.66 0.00 0.04 0.00 0.00 34.50 31.51 1j0g s PRO 31 CO -0.10 -0.65 1.35 -0.85 0.04 0.00 0.00 177.00 176.79 1j0g n GLU 32 N 6.27 -0.07 -0.35 4.56 0.28 -1.24 0.20 120.64 130.29 1j0g n GLU 32 Ca 0.13 1.29 0.32 0.00 -0.16 0.00 0.00 57.16 58.74 1j0g n GLU 32 Cb 0.45 -2.05 0.57 0.00 1.43 0.00 0.00 31.44 31.84 1j0g n GLU 32 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1j0g n SER 33 N -5.24 0.26 -4.76 -1.84 2.88 -1.26 0.94 113.62 104.59 1j0g n SER 33 Ca 0.20 1.40 -0.37 0.00 -1.33 0.00 0.00 58.87 58.77 1j0g n SER 33 Cb 0.67 -0.68 0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1j0g n SER 33 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1j0g s THR 34 N -5.26 2.73 0.15 2.46 2.01 0.52 -4.53 115.64 113.72 1j0g s THR 34 Ca -0.08 0.54 -0.30 0.00 0.31 0.00 0.00 61.69 62.17 1j0g s THR 34 Cb 0.30 -3.27 -0.07 0.00 0.01 0.00 0.00 72.50 69.46 1j0g s THR 34 CO 0.72 -0.01 1.13 -2.16 -0.69 0.00 0.00 174.62 173.61 1j0g s PRO 35 N -2.81 4.54 0.33 4.92 0.04 -1.26 0.74 135.00 141.50 1j0g s PRO 35 Ca 0.67 1.74 0.21 0.00 0.04 0.00 0.00 61.00 63.66 1j0g s PRO 35 Cb -0.33 -3.29 1.12 0.00 0.04 0.00 0.00 34.50 32.05 1j0g s PRO 35 CO 0.39 -0.03 1.62 0.34 0.04 0.00 0.00 177.00 179.36 1j0g n PHE 36 N 2.77 0.70 0.18 0.56 -0.00 -1.26 -0.85 117.46 119.57 1j0g n PHE 36 Ca 0.04 0.37 0.03 0.00 -0.00 0.00 0.00 57.45 57.89 1j0g n PHE 36 Cb 0.46 -1.06 0.42 0.00 -0.00 0.00 0.00 39.48 39.30 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 1.19 -0.14 -2.13 1.03 -1.90 -2.13 112.91 108.82 1j0g h THR 37 Ca 0.00 -0.87 -0.18 0.00 -0.01 0.00 0.00 66.41 65.35 1j0g h THR 37 Cb 0.09 1.40 -0.00 0.00 -1.07 0.00 0.00 68.15 68.57 1j0g h THR 37 CO 0.00 0.26 -0.66 0.00 -0.01 0.00 0.00 175.52 175.11 1j0g h ALA 38 N 1.70 0.59 -0.89 0.00 0.00 -1.38 -2.88 119.26 116.39 1j0g h ALA 38 Ca 0.01 -0.56 0.23 0.00 0.00 0.00 0.00 54.91 54.59 1j0g h ALA 38 Cb 0.44 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1j0g h ALA 38 CO 0.03 0.72 0.61 0.28 0.00 0.00 0.00 179.25 180.89 1j0g h VAL 39 N 0.39 0.62 0.28 0.00 2.07 -1.47 -1.01 116.25 117.13 1j0g h VAL 39 Ca -0.02 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1j0g h VAL 39 Cb 1.23 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1j0g h VAL 39 CO 0.12 0.04 -0.13 0.25 0.02 0.00 0.00 177.57 177.87 1j0g h LEU 40 N 0.23 -0.32 -0.90 2.57 7.12 -1.49 1.00 115.31 123.53 1j0g h LEU 40 Ca 0.45 0.01 0.21 0.00 0.13 0.00 0.00 57.88 58.68 1j0g h LEU 40 Cb 1.39 0.08 -0.17 0.00 -0.53 0.00 0.00 40.66 41.43 1j0g h LEU 40 CO -0.11 -0.21 -0.10 0.11 -0.13 0.00 0.00 178.44 178.00 1j0g h LYS 41 N -0.41 0.03 0.45 1.25 1.57 -1.42 1.10 116.57 119.14 1j0g h LYS 41 Ca -0.04 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1j0g h LYS 41 Cb 0.29 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1j0g h LYS 41 CO 0.06 0.02 -0.22 0.35 -0.57 0.00 0.00 179.45 179.09 1j0g h PHE 42 N 0.03 -0.56 -0.09 -1.35 3.04 -1.11 0.84 116.94 117.74 1j0g h PHE 42 Ca 0.48 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.44 1j0g h PHE 42 Cb 0.85 0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.54 1j0g h PHE 42 CO -0.58 -0.28 0.18 0.00 -2.02 0.00 0.00 178.31 175.61 1j0g h ALA 43 N -0.25 1.48 -0.61 2.41 0.00 0.38 0.23 119.26 122.90 1j0g h ALA 43 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1j0g h ALA 43 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1j0g h ALA 43 CO 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.12 1j0g n ALA 44 N -2.15 -0.05 -0.38 0.00 0.00 0.35 -3.32 120.51 114.96 1j0g n ALA 44 Ca -0.00 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.76 1j0g n ALA 44 Cb 0.28 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.37 1j0g n ALA 44 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1j0g h GLU 45 N 0.00 0.16 -1.00 0.00 -0.00 -0.64 0.96 114.58 114.07 1j0g h GLU 45 Ca 0.00 -0.01 0.08 0.00 -0.00 0.00 0.00 59.36 59.43 1j0g h GLU 45 Cb 0.00 -0.04 -0.07 0.00 -0.00 0.00 0.00 28.75 28.64 1j0g h GLU 45 CO 0.00 0.11 0.64 0.93 -0.00 0.00 0.00 179.01 180.69 1j0g h GLU 46 N 0.17 1.09 -0.54 1.06 4.39 -0.65 0.11 114.58 120.19 1j0g h GLU 46 Ca 0.67 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.30 1j0g h GLU 46 Cb 2.18 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 30.59 1j0g h GLU 46 CO -0.21 0.72 0.00 1.19 -1.16 0.00 0.00 179.01 179.54 1j0g n PHE 47 N -4.53 0.72 -3.52 4.33 3.72 0.32 -4.92 117.46 113.58 1j0g n PHE 47 Ca 0.16 -0.36 -0.22 0.00 -0.05 0.00 0.00 57.45 56.98 1j0g n PHE 47 Cb 0.24 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.85 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 1.23 -7.45 -4.32 -1.08 4.01 0.38 -5.00 118.16 105.91 1j0g n LYS 48 Ca 0.20 0.79 -0.25 0.00 -0.51 0.00 0.00 58.31 58.54 1j0g n LYS 48 Cb 0.51 -5.73 -0.09 0.00 -0.51 0.00 0.00 35.03 29.21 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 -3.31 3.16 0.07 -0.18 -7.23 -0.82 -4.97 120.40 107.13 1j0g s VAL 49 Ca 0.49 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 58.46 1j0g s VAL 49 Cb -0.21 -2.63 -0.06 0.00 0.56 0.00 0.00 36.38 34.04 1j0g s VAL 49 CO 0.70 -0.26 1.16 -2.16 -0.31 0.00 0.00 175.10 174.22 1j0g s PRO 50 N -3.27 4.47 -0.30 4.82 0.04 -1.26 -3.66 135.00 135.84 1j0g s PRO 50 Ca 0.28 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 63.01 1j0g s PRO 50 Cb -0.07 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 31.15 1j0g s PRO 50 CO 0.17 -0.18 2.71 0.00 0.04 0.00 0.00 177.00 179.74 1j0g n ALA 51 N 3.68 5.95 0.00 8.56 0.00 -1.26 -3.76 120.51 133.68 1j0g n ALA 51 Ca 0.08 -2.26 0.00 0.00 0.00 0.00 0.00 53.44 51.26 1j0g n ALA 51 Cb 0.47 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 1.12 2.98 -1.48 0.00 0.00 -1.26 -4.81 120.51 117.05 1j0g n ALA 52 Ca 0.40 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.52 1j0g n ALA 52 Cb 0.63 0.29 0.07 0.00 0.00 0.00 0.00 19.45 20.44 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 -2.77 3.38 -4.00 0.00 -2.24 -1.25 -4.84 114.28 102.56 1j0g n THR 53 Ca 0.00 -3.19 -0.10 0.00 -2.27 0.00 0.00 64.05 58.49 1j0g n THR 53 Cb 0.29 -1.14 -0.11 0.00 -2.10 0.00 0.00 70.33 67.27 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 -2.21 0.40 -0.04 3.42 0.01 -1.26 -0.85 113.70 113.18 1j0g s SER 54 Ca 0.62 -0.51 -0.29 0.00 1.31 0.00 0.00 55.95 57.07 1j0g s SER 54 Cb 0.49 0.08 0.08 0.00 0.21 0.00 0.00 66.02 66.88 1j0g s SER 54 CO 0.00 -0.27 0.75 0.00 0.41 0.00 0.00 173.24 174.12 1j0g s ALA 55 N -1.44 -1.78 -0.11 1.44 0.00 -0.05 -4.69 121.76 115.13 1j0g s ALA 55 Ca -0.14 1.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.93 1j0g s ALA 55 Cb -0.10 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 1j0g s ALA 55 CO -0.01 -0.44 0.24 0.42 0.00 0.00 0.00 175.76 175.97 1j0g s ILE 56 N -1.69 5.33 0.28 0.00 1.01 -1.26 -0.95 121.20 123.91 1j0g s ILE 56 Ca -0.06 0.44 0.03 0.00 0.00 0.00 0.00 60.65 61.05 1j0g s ILE 56 Cb -0.00 -3.54 -0.06 0.00 0.01 0.00 0.00 42.46 38.87 1j0g s ILE 56 CO 0.04 0.53 0.06 0.27 0.00 0.00 0.00 174.94 175.84 1j0g s ILE 57 N -0.51 0.89 0.02 2.92 -4.36 -0.84 -4.00 121.20 115.32 1j0g s ILE 57 Ca 0.17 -2.01 -0.00 0.00 -0.26 0.00 0.00 60.65 58.55 1j0g s ILE 57 Cb -0.13 -2.63 0.00 0.00 1.25 0.00 0.00 42.46 40.96 1j0g s ILE 57 CO 0.05 -0.08 0.03 0.35 0.24 0.00 0.00 174.94 175.53 1j0g n THR 58 N -0.53 0.00 -0.49 8.37 -2.24 0.15 -2.86 114.28 116.67 1j0g n THR 58 Ca -0.02 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.61 1j0g n THR 58 Cb 0.66 -1.70 0.16 0.00 -2.10 0.00 0.00 70.33 67.35 1j0g n THR 58 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1j0g n ASN 59 N -3.01 3.70 -0.39 3.42 0.23 -1.26 -3.60 115.26 114.35 1j0g n ASN 59 Ca 0.00 -3.01 0.02 0.00 -0.53 0.00 0.00 54.58 51.06 1j0g n ASN 59 Cb 0.01 -0.71 0.02 0.00 -2.08 0.00 0.00 39.78 37.03 1j0g n ASN 59 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1j0g n ASP 60 N -0.40 0.44 -1.58 0.53 -0.08 -1.26 -4.97 116.55 109.24 1j0g n ASP 60 Ca 0.37 -2.13 -0.19 0.00 -1.51 0.00 0.00 54.79 51.33 1j0g n ASP 60 Cb 1.23 -0.22 -0.07 0.00 2.34 0.00 0.00 41.12 44.39 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 -0.26 1.55 3.74 0.27 0.00 -1.24 -4.96 105.19 104.30 1j0g n GLY 61 Ca 0.03 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.75 4.82 0.02 -0.61 1.01 -1.26 -4.93 121.20 117.49 1j0g s ILE 62 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 60.65 60.60 1j0g s ILE 62 Cb 0.00 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.39 1j0g s ILE 62 CO 0.00 0.58 0.02 0.61 0.00 0.00 0.00 174.94 176.15 1j0g n GLY 63 N 2.38 -2.50 2.96 6.18 0.00 -1.26 -0.68 105.19 112.28 1j0g n GLY 63 Ca -0.19 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.03 0.23 -0.31 -0.61 1.01 -1.26 -4.56 121.20 114.66 1j0g s ILE 64 Ca 0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.13 1j0g s ILE 64 Cb -0.00 -0.27 0.07 0.00 0.01 0.00 0.00 42.46 42.26 1j0g s ILE 64 CO 0.01 -0.20 0.01 0.20 0.00 0.00 0.00 174.94 174.96 1j0g s ASN 65 N -0.77 4.82 -0.21 3.58 0.01 -1.26 -4.99 114.94 116.13 1j0g s ASN 65 Ca -0.06 -1.53 -0.05 0.00 -0.71 0.00 0.00 52.86 50.51 1j0g s ASN 65 Cb -0.05 -1.68 -0.18 0.00 0.41 0.00 0.00 41.25 39.75 1j0g s ASN 65 CO -0.00 -0.30 2.79 -0.81 -1.51 0.00 0.00 177.10 177.27 1j0g n PRO 66 N 4.52 1.72 -0.60 -0.60 -0.04 -1.26 -4.29 135.00 134.45 1j0g n PRO 66 Ca -0.09 -0.93 0.05 0.00 -0.04 0.00 0.00 63.50 62.49 1j0g n PRO 66 Cb 0.43 -2.00 0.27 0.00 -0.04 0.00 0.00 33.50 32.15 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 3.43 -3.82 0.55 0.00 -1.26 -4.80 120.51 117.45 1j0g n ALA 67 Ca 0.37 -1.27 -0.06 0.00 0.00 0.00 0.00 53.44 52.49 1j0g n ALA 67 Cb 0.60 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.17 1.61 0.49 0.00 0.00 -1.26 -5.14 119.66 113.19 1j0g s GLN 68 Ca 0.36 -0.91 -0.23 0.00 -0.00 0.00 0.00 55.36 54.58 1j0g s GLN 68 Cb 0.28 0.53 -0.08 0.00 0.00 0.00 0.00 33.01 33.74 1j0g s GLN 68 CO 0.10 -0.74 1.20 0.25 0.00 0.00 0.00 175.29 176.10 1j0g n THR 69 N -0.48 3.12 -0.33 3.63 -2.24 -1.26 -4.23 114.28 112.48 1j0g n THR 69 Ca -0.05 -0.50 0.16 0.00 -2.27 0.00 0.00 64.05 61.38 1j0g n THR 69 Cb 0.60 -1.45 0.35 0.00 -2.10 0.00 0.00 70.33 67.73 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 1.51 1.64 0.00 6.98 0.00 0.66 1.59 119.26 131.64 1j0g h ALA 70 Ca -0.48 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1j0g h ALA 70 Cb 1.32 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1j0g h ALA 70 CO 0.57 -0.28 -0.00 0.78 0.00 0.00 0.00 179.25 180.31 1j0g h GLY 71 N 0.52 0.00 0.51 0.00 0.00 -1.79 1.70 103.07 104.00 1j0g h GLY 71 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 1j0g h GLY 71 CO -0.49 0.00 -1.31 -2.01 0.00 0.00 0.00 176.54 172.73 1j0g n ASN 72 N -3.57 0.51 -0.07 0.19 5.15 0.52 -3.20 115.26 114.79 1j0g n ASN 72 Ca -0.03 -0.02 -0.22 0.00 -0.60 0.00 0.00 54.58 53.70 1j0g n ASN 72 Cb 0.08 1.07 -0.12 0.00 -0.53 0.00 0.00 39.78 40.27 1j0g n ASN 72 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1j0g n VAL 73 N -2.24 1.62 0.44 3.44 0.31 0.63 -2.58 118.33 119.96 1j0g n VAL 73 Ca -0.00 -0.29 0.12 0.00 -0.01 0.00 0.00 64.34 64.15 1j0g n VAL 73 Cb 0.51 -1.90 0.47 0.00 -0.91 0.00 0.00 33.84 32.00 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 -4.05 0.75 -0.11 3.52 -1.74 0.55 -0.23 117.46 116.15 1j0g n PHE 74 Ca -0.34 0.28 -0.21 0.00 -0.56 0.00 0.00 57.45 56.62 1j0g n PHE 74 Cb 0.83 -0.96 -0.10 0.00 1.52 0.00 0.00 39.48 40.77 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 -2.18 1.87 -0.20 5.98 7.94 -1.19 -0.21 117.00 129.01 1j0g n LEU 75 Ca 0.03 0.43 -0.09 0.00 -1.11 0.00 0.00 56.01 55.27 1j0g n LEU 75 Cb 0.25 -0.94 0.02 0.00 0.53 0.00 0.00 43.42 43.28 1j0g n LEU 75 CO 0.21 0.23 0.89 0.07 -1.11 0.00 0.00 177.39 177.67 1j0g h LYS 76 N -1.00 0.91 0.01 1.96 2.10 -1.45 -3.28 116.57 115.83 1j0g h LYS 76 Ca -0.36 -0.23 -0.21 0.00 -2.00 0.00 0.00 60.65 57.85 1j0g h LYS 76 Cb 1.26 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 32.45 1j0g h LYS 76 CO -0.22 0.87 -1.13 0.45 -2.00 0.00 0.00 179.45 177.42 1j0g h HIS 77 N 0.81 0.05 0.00 0.07 3.86 -0.80 -3.51 115.15 115.64 1j0g h HIS 77 Ca 0.17 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1j0g h HIS 77 Cb 0.38 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1j0g h HIS 77 CO 0.03 1.44 0.00 0.41 0.86 0.00 0.00 177.93 180.67 1j0g n GLY 78 N 1.50 1.24 0.13 2.45 0.00 0.71 -4.92 105.19 106.30 1j0g n GLY 78 Ca -0.29 -2.16 -0.24 0.00 0.00 0.00 0.00 46.02 43.34 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 1.96 -4.56 1.61 3.41 -1.08 -4.30 113.62 110.65 1j0g n SER 79 Ca 0.00 0.28 -0.40 0.00 -0.26 0.00 0.00 58.87 58.49 1j0g n SER 79 Cb 0.00 -0.83 -0.03 0.00 -0.26 0.00 0.00 64.21 63.09 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 -2.47 2.98 0.30 4.33 2.02 -1.26 -3.20 118.70 121.41 1j0g s GLU 80 Ca -0.31 0.54 0.03 0.00 0.02 0.00 0.00 54.97 55.24 1j0g s GLU 80 Cb 0.09 -4.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 1j0g s GLU 80 CO 0.60 -2.32 0.14 -0.51 0.02 0.00 0.00 175.26 173.19 1j0g s LEU 81 N 7.48 1.70 0.03 1.80 1.43 -1.19 -4.65 118.68 125.29 1j0g s LEU 81 Ca 0.60 -1.52 0.04 0.00 -1.03 0.00 0.00 54.13 52.22 1j0g s LEU 81 Cb -0.12 0.13 -0.02 0.00 0.03 0.00 0.00 46.19 46.21 1j0g s LEU 81 CO 0.23 -0.85 -0.13 -0.13 0.23 0.00 0.00 176.35 175.69 1j0g s ARG 82 N -3.86 0.88 -0.30 1.70 0.52 -1.14 -3.84 118.95 112.93 1j0g s ARG 82 Ca 0.35 -0.71 -0.16 0.00 -0.52 0.00 0.00 55.73 54.70 1j0g s ARG 82 Cb 0.05 -0.87 -0.02 0.00 0.52 0.00 0.00 34.95 34.63 1j0g s ARG 82 CO 0.16 0.22 0.41 -1.50 0.02 0.00 0.00 175.30 174.61 1j0g s ILE 83 N -0.81 5.14 0.23 1.52 2.07 -1.25 -1.99 121.20 126.10 1j0g s ILE 83 Ca 0.01 0.43 0.10 0.00 -1.41 0.00 0.00 60.65 59.78 1j0g s ILE 83 Cb -0.07 -3.78 -0.04 0.00 0.13 0.00 0.00 42.46 38.69 1j0g s ILE 83 CO 0.01 0.03 -0.14 0.27 -1.91 0.00 0.00 174.94 173.20 1j0g s ILE 84 N 2.13 2.88 0.37 2.00 -5.25 -0.13 -4.24 121.20 118.96 1j0g s ILE 84 Ca 0.15 -1.98 -0.25 0.00 -0.99 0.00 0.00 60.65 57.58 1j0g s ILE 84 Cb -0.16 -2.46 -0.09 0.00 2.95 0.00 0.00 42.46 42.70 1j0g s ILE 84 CO 0.11 -0.24 1.06 -2.16 -1.79 0.00 0.00 174.94 171.92 1j0g s PRO 85 N -3.13 4.27 0.11 0.37 0.04 -1.26 -0.87 135.00 134.53 1j0g s PRO 85 Ca 0.26 1.58 0.10 0.00 0.04 0.00 0.00 61.00 62.98 1j0g s PRO 85 Cb -0.07 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 1j0g s PRO 85 CO 0.15 -0.06 -0.23 0.50 0.04 0.00 0.00 177.00 177.40 1j0g s ARG 86 N -2.24 1.62 -0.19 4.56 3.52 -0.03 -4.81 118.95 121.38 1j0g s ARG 86 Ca 0.55 -1.24 -0.09 0.00 -0.13 0.00 0.00 55.73 54.81 1j0g s ARG 86 Cb -0.24 -2.01 0.07 0.00 -1.56 0.00 0.00 34.95 31.21 1j0g s ARG 86 CO 0.31 0.47 0.45 0.34 -0.81 0.00 0.00 175.30 176.06 1j0g s ASP 87 N -1.97 -0.49 -0.15 -2.12 2.15 -1.26 -4.42 116.67 108.41 1j0g s ASP 87 Ca 0.15 1.00 -0.19 0.00 0.43 0.00 0.00 52.55 53.94 1j0g s ASP 87 Cb -0.10 1.05 -0.17 0.00 -0.30 0.00 0.00 42.92 43.40 1j0g s ASP 87 CO 0.07 -0.21 0.37 0.03 -0.17 0.00 0.00 175.17 175.26 1j0g h ARG 88 N 7.47 0.00 -2.64 4.34 2.47 -2.00 -3.48 114.38 120.54 1j0g h ARG 88 Ca -0.29 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.32 1j0g h ARG 88 Cb 1.16 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.23 1j0g h ARG 88 CO 0.22 0.69 -0.25 0.54 0.56 0.00 0.00 179.97 181.74 1j0g s VAL 89 N -2.13 -0.01 0.00 2.04 0.11 -1.26 -5.10 120.40 114.05 1j0g s VAL 89 Ca -0.17 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 1j0g s VAL 89 Cb 0.00 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 1j0g s VAL 89 CO 0.48 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 1j0g n GLY 90 N 3.65 0.91 5.00 6.54 0.00 -1.26 -4.99 105.19 115.04 1j0g n GLY 90 Ca -0.19 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 0.00 0.00 0.00 1.61 2.88 -1.26 -5.09 113.62 111.76 1j0g n SER 91 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1j0g n SER 91 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1j0g n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81