#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 -6.96 -1.25 1.61 7.64 -1.26 -5.01 113.62 108.38 1j0g n SER 2 Ca 0.00 1.22 0.15 0.00 1.01 0.00 0.00 58.87 61.25 1j0g n SER 2 Cb 0.00 -4.29 -0.08 0.00 -1.01 0.00 0.00 64.21 58.82 1j0g n SER 2 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1j0g n GLU 3 N -4.05 -2.90 -3.26 1.43 1.02 -1.26 -5.03 120.64 106.59 1j0g n GLU 3 Ca -0.08 2.37 0.03 0.00 -0.02 0.00 0.00 57.16 59.47 1j0g n GLU 3 Cb 0.60 -3.39 -0.03 0.00 -0.02 0.00 0.00 31.44 28.59 1j0g n GLU 3 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1j0g s GLY 4 N -6.84 -0.19 0.01 0.62 0.00 -1.26 -5.18 107.32 94.49 1j0g s GLY 4 Ca 0.00 3.02 -0.29 0.00 0.00 0.00 0.00 44.72 47.45 1j0g s GLY 4 CO 0.00 3.49 1.02 0.00 0.00 0.00 0.00 173.10 177.61 1j0g s ALA 5 N 2.59 -1.87 0.39 3.20 0.00 -1.26 -5.15 121.76 119.65 1j0g s ALA 5 Ca -0.01 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1j0g s ALA 5 Cb -0.07 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.44 1j0g s ALA 5 CO -0.15 -0.84 0.00 0.00 0.00 0.00 0.00 175.76 174.77 1j0g n ALA 6 N -0.33 -3.39 -1.72 0.00 0.00 -1.26 -4.63 120.51 109.18 1j0g n ALA 6 Ca -0.06 0.55 -0.61 0.00 0.00 0.00 0.00 53.44 53.31 1j0g n ALA 6 Cb 0.61 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 1j0g n ALA 6 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1j0g n THR 7 N -4.06 0.21 -2.34 0.00 -1.04 -1.26 -4.82 114.28 100.97 1j0g n THR 7 Ca -0.02 -0.04 -0.43 0.00 -2.04 0.00 0.00 64.05 61.53 1j0g n THR 7 Cb 0.60 -1.01 -0.02 0.00 -1.82 0.00 0.00 70.33 68.08 1j0g n THR 7 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1j0g s MET 8 N 3.46 3.49 -0.09 -2.82 1.75 -1.26 -4.97 119.30 118.85 1j0g s MET 8 Ca 1.01 0.85 -0.01 0.00 -1.25 0.00 0.00 55.69 56.29 1j0g s MET 8 Cb -1.20 -4.06 0.03 0.00 2.84 0.00 0.00 34.83 32.44 1j0g s MET 8 CO 0.71 -1.67 -0.04 -1.12 -0.65 0.00 0.00 175.02 172.25 1j0g s SER 9 N 4.17 1.85 0.32 1.11 0.01 -1.26 -5.13 113.70 114.77 1j0g s SER 9 Ca 0.60 -0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.71 1j0g s SER 9 Cb -0.13 -0.63 -0.03 0.00 0.21 0.00 0.00 66.02 65.43 1j0g s SER 9 CO 0.31 -0.15 0.17 -0.54 0.41 0.00 0.00 173.24 173.44 1j0g s LYS 10 N 1.81 1.66 -0.09 12.44 1.02 -1.26 -3.70 119.74 131.61 1j0g s LYS 10 Ca 0.04 -1.96 -0.14 0.00 0.02 0.00 0.00 55.97 53.93 1j0g s LYS 10 Cb -0.12 -0.12 0.03 0.00 -0.52 0.00 0.00 37.83 37.10 1j0g s LYS 10 CO -0.06 -0.48 0.36 0.14 -0.92 0.00 0.00 175.35 174.38 1j0g s VAL 11 N -3.53 0.02 -0.20 3.17 -7.23 -0.83 -4.82 120.40 106.98 1j0g s VAL 11 Ca 0.35 -0.16 -0.03 0.00 -1.81 0.00 0.00 61.98 60.33 1j0g s VAL 11 Cb 0.04 -0.56 -0.01 0.00 0.56 0.00 0.00 36.38 36.41 1j0g s VAL 11 CO 0.18 -0.09 -0.07 -0.94 -0.31 0.00 0.00 175.10 173.87 1j0g s SER 12 N -0.36 4.14 -0.32 4.85 1.04 -1.25 -2.66 113.70 119.14 1j0g s SER 12 Ca -0.05 -0.41 -0.13 0.00 0.48 0.00 0.00 55.95 55.84 1j0g s SER 12 Cb -0.03 -1.69 -0.03 0.00 0.10 0.00 0.00 66.02 64.37 1j0g s SER 12 CO 0.02 0.01 0.28 -0.36 0.98 0.00 0.00 173.24 174.17 1j0g s PHE 13 N 1.28 3.22 -0.68 5.02 0.08 -0.93 -4.80 117.98 121.16 1j0g s PHE 13 Ca 0.03 0.01 -0.20 0.00 0.12 0.00 0.00 56.93 56.89 1j0g s PHE 13 Cb -0.14 -2.52 0.10 0.00 -0.57 0.00 0.00 43.02 39.89 1j0g s PHE 13 CO -0.03 -0.31 0.89 0.21 -0.10 0.00 0.00 175.22 175.88 1j0g s LYS 14 N 1.86 3.18 0.16 0.44 2.20 0.31 -2.82 119.74 125.07 1j0g s LYS 14 Ca 0.09 -1.22 0.08 0.00 -0.36 0.00 0.00 55.97 54.57 1j0g s LYS 14 Cb -0.17 -4.36 -0.04 0.00 -1.51 0.00 0.00 37.83 31.75 1j0g s LYS 14 CO 0.11 -1.69 -0.09 0.42 -0.36 0.00 0.00 175.35 173.73 1j0g s ILE 15 N 3.21 3.25 -0.28 5.43 1.01 -1.25 -2.21 121.20 130.37 1j0g s ILE 15 Ca 0.20 -1.54 -0.01 0.00 0.00 0.00 0.00 60.65 59.29 1j0g s ILE 15 Cb -0.17 -2.58 0.09 0.00 0.01 0.00 0.00 42.46 39.80 1j0g s ILE 15 CO 0.05 -0.05 0.07 -0.89 0.00 0.00 0.00 174.94 174.13 1j0g s THR 16 N -1.56 0.79 -0.39 2.92 2.01 -1.21 -2.80 115.64 115.41 1j0g s THR 16 Ca 0.24 -1.16 -0.27 0.00 0.31 0.00 0.00 61.69 60.81 1j0g s THR 16 Cb -0.09 -1.49 -0.06 0.00 0.01 0.00 0.00 72.50 70.86 1j0g s THR 16 CO 0.15 -0.53 2.34 -0.22 -0.69 0.00 0.00 174.62 175.66 1j0g s LEU 17 N 1.68 3.42 -0.69 4.42 2.96 -1.21 -4.36 118.68 124.91 1j0g s LEU 17 Ca 0.06 1.39 -0.02 0.00 -0.22 0.00 0.00 54.13 55.34 1j0g s LEU 17 Cb -0.17 -2.90 0.29 0.00 0.50 0.00 0.00 46.19 43.91 1j0g s LEU 17 CO -0.21 -2.53 2.21 1.07 -1.32 0.00 0.00 176.35 175.57 1j0g n THR 18 N 7.91 3.48 0.02 3.68 5.66 -1.26 -3.65 114.28 130.13 1j0g n THR 18 Ca 0.34 -3.56 0.07 0.00 -3.05 0.00 0.00 64.05 57.85 1j0g n THR 18 Cb 0.51 -1.32 0.14 0.00 -1.55 0.00 0.00 70.33 68.11 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 -0.20 2.78 -3.55 1.09 3.41 -1.26 -4.99 113.62 110.89 1j0g n SER 19 Ca 0.53 -1.86 -0.11 0.00 -0.26 0.00 0.00 58.87 57.17 1j0g n SER 19 Cb 0.41 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.03 -0.39 -0.64 4.04 2.15 -1.26 -5.04 116.67 114.50 1j0g s ASP 20 Ca 0.23 -0.19 -0.06 0.00 0.43 0.00 0.00 52.55 52.97 1j0g s ASP 20 Cb 0.13 0.55 -0.13 0.00 -0.30 0.00 0.00 42.92 43.17 1j0g s ASP 20 CO 0.18 -0.93 2.65 -0.81 -0.17 0.00 0.00 175.17 176.09 1j0g n PRO 21 N -0.31 2.17 0.00 4.34 -0.04 -1.26 -3.12 135.00 136.78 1j0g n PRO 21 Ca -0.16 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 1j0g n PRO 21 Cb 0.64 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 3.31 0.00 -2.72 0.54 5.12 -1.26 -5.08 116.66 116.57 1j0g n ARG 22 Ca 0.46 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 56.32 1j0g n ARG 22 Cb 0.42 -0.02 0.03 0.00 -1.16 0.00 0.00 32.46 31.73 1j0g n ARG 22 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1j0g n LEU 23 N -2.46 -5.01 -4.59 0.55 4.32 -1.18 -4.91 117.00 103.71 1j0g n LEU 23 Ca 0.00 -0.33 -0.42 0.00 -0.02 0.00 0.00 56.01 55.24 1j0g n LEU 23 Cb 0.00 -2.57 -0.02 0.00 -1.62 0.00 0.00 43.42 39.21 1j0g n LEU 23 CO 0.00 -0.29 1.26 -2.16 -1.22 0.00 0.00 177.39 174.98 1j0g s PRO 24 N -3.60 3.46 0.21 3.23 0.04 -1.25 -4.74 135.00 132.35 1j0g s PRO 24 Ca 0.20 0.81 -0.09 0.00 0.04 0.00 0.00 61.00 61.96 1j0g s PRO 24 Cb -0.03 -4.07 -0.07 0.00 0.04 0.00 0.00 34.50 30.38 1j0g s PRO 24 CO 0.54 -1.71 0.52 1.52 0.04 0.00 0.00 177.00 177.91 1j0g s TYR 25 N 5.76 3.44 -0.28 0.56 1.13 -1.26 -3.32 117.35 123.39 1j0g s TYR 25 Ca 0.60 0.83 -0.19 0.00 -1.41 0.00 0.00 57.07 56.90 1j0g s TYR 25 Cb -0.13 -2.22 0.08 0.00 -1.10 0.00 0.00 41.96 38.59 1j0g s TYR 25 CO 0.30 0.31 0.72 -1.59 -2.51 0.00 0.00 175.55 172.78 1j0g s LYS 26 N -2.74 0.73 -0.11 -3.49 0.00 -1.12 -5.03 119.74 107.97 1j0g s LYS 26 Ca 0.46 1.11 -0.20 0.00 0.00 0.00 0.00 55.97 57.34 1j0g s LYS 26 Cb -0.12 0.22 -0.04 0.00 0.00 0.00 0.00 37.83 37.90 1j0g s LYS 26 CO 0.21 -0.13 0.57 0.14 0.00 0.00 0.00 175.35 176.15 1j0g s VAL 27 N 1.21 5.12 -0.20 1.79 -7.23 -1.26 -3.78 120.40 116.05 1j0g s VAL 27 Ca -0.07 1.15 -0.06 0.00 -1.81 0.00 0.00 61.98 61.20 1j0g s VAL 27 Cb -0.05 -3.91 -0.03 0.00 0.56 0.00 0.00 36.38 32.95 1j0g s VAL 27 CO -0.13 0.27 0.03 -0.22 -0.31 0.00 0.00 175.10 174.74 1j0g s LEU 28 N 0.87 3.44 -0.23 1.32 2.96 -1.13 -4.86 118.68 121.06 1j0g s LEU 28 Ca 0.30 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 54.00 1j0g s LEU 28 Cb -0.16 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 1j0g s LEU 28 CO 0.13 0.08 0.12 -0.94 -1.32 0.00 0.00 176.35 174.42 1j0g s SER 29 N 0.95 5.80 0.10 3.68 1.04 -1.26 -2.20 113.70 121.81 1j0g s SER 29 Ca 0.02 0.03 -0.14 0.00 0.48 0.00 0.00 55.95 56.35 1j0g s SER 29 Cb -0.14 -2.04 0.02 0.00 0.10 0.00 0.00 66.02 63.96 1j0g s SER 29 CO 0.02 0.06 0.33 0.68 0.98 0.00 0.00 173.24 175.31 1j0g s VAL 30 N 1.06 0.09 -0.21 5.02 -7.23 -1.09 -4.88 120.40 113.16 1j0g s VAL 30 Ca 0.06 -0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 59.18 1j0g s VAL 30 Cb -0.14 -1.17 -0.01 0.00 0.56 0.00 0.00 36.38 35.62 1j0g s VAL 30 CO 0.04 -0.42 1.30 -2.16 -0.31 0.00 0.00 175.10 173.55 1j0g s PRO 31 N -3.55 4.10 0.29 4.82 0.04 -1.26 -1.97 135.00 137.47 1j0g s PRO 31 Ca 0.02 1.53 0.03 0.00 0.04 0.00 0.00 61.00 62.62 1j0g s PRO 31 Cb 0.02 -3.82 0.74 0.00 0.04 0.00 0.00 34.50 31.48 1j0g s PRO 31 CO -0.10 -0.88 1.43 -0.85 0.04 0.00 0.00 177.00 176.63 1j0g n GLU 32 N 6.92 -0.07 -0.62 4.56 0.28 -1.24 0.20 120.64 130.68 1j0g n GLU 32 Ca 0.14 1.35 0.47 0.00 -0.16 0.00 0.00 57.16 58.97 1j0g n GLU 32 Cb 0.45 -2.18 0.73 0.00 1.43 0.00 0.00 31.44 31.88 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 -5.31 0.04 -4.79 -1.84 2.88 -1.26 -0.72 113.62 102.62 1j0g n SER 33 Ca 0.23 0.98 -0.36 0.00 -1.33 0.00 0.00 58.87 58.39 1j0g n SER 33 Cb 0.74 -0.49 -0.05 0.00 -0.75 0.00 0.00 64.21 63.67 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 -4.78 3.90 -0.06 2.46 2.01 0.55 -4.73 115.64 114.99 1j0g s THR 34 Ca -0.05 1.40 -0.30 0.00 0.31 0.00 0.00 61.69 63.06 1j0g s THR 34 Cb 0.25 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 1j0g s THR 34 CO 0.81 -0.04 1.22 -2.16 -0.69 0.00 0.00 174.62 173.76 1j0g s PRO 35 N -2.59 4.33 0.60 4.92 0.04 -1.26 -0.20 135.00 140.84 1j0g s PRO 35 Ca 0.58 1.70 0.29 0.00 0.04 0.00 0.00 61.00 63.60 1j0g s PRO 35 Cb -0.19 -3.58 1.14 0.00 0.04 0.00 0.00 34.50 31.91 1j0g s PRO 35 CO 0.24 -0.48 1.50 0.35 0.04 0.00 0.00 177.00 178.65 1j0g h PHE 36 N 7.56 0.00 -0.42 0.56 3.04 -1.85 1.21 116.94 127.05 1j0g h PHE 36 Ca -0.34 0.00 0.10 0.00 3.98 0.00 0.00 57.97 61.72 1j0g h PHE 36 Cb 1.16 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.65 1j0g h PHE 36 CO 0.74 0.00 0.29 0.00 -2.02 0.00 0.00 178.31 177.32 1j0g h THR 37 N 0.00 0.84 -0.26 4.41 1.03 -1.90 0.28 112.91 117.32 1j0g h THR 37 Ca 0.43 -0.03 -0.16 0.00 -0.01 0.00 0.00 66.41 66.64 1j0g h THR 37 Cb 2.44 0.73 0.00 0.00 -1.07 0.00 0.00 68.15 70.25 1j0g h THR 37 CO -0.00 0.02 -0.45 0.00 -0.01 0.00 0.00 175.52 175.08 1j0g h ALA 38 N 1.79 0.40 -0.72 0.00 0.00 0.11 -3.14 119.26 117.70 1j0g h ALA 38 Ca 0.20 -0.47 0.14 0.00 0.00 0.00 0.00 54.91 54.78 1j0g h ALA 38 Cb 0.65 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.23 1j0g h ALA 38 CO -0.02 0.54 -0.17 0.28 0.00 0.00 0.00 179.25 179.88 1j0g h VAL 39 N 0.50 0.28 -0.20 0.00 2.07 -1.02 0.54 116.25 118.42 1j0g h VAL 39 Ca 0.02 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1j0g h VAL 39 Cb 1.05 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 1j0g h VAL 39 CO 0.10 0.00 -0.48 0.25 0.02 0.00 0.00 177.57 177.46 1j0g h LEU 40 N 0.00 -1.55 0.41 2.57 5.85 -1.48 1.19 115.31 122.30 1j0g h LEU 40 Ca 0.35 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 59.26 1j0g h LEU 40 Cb 0.53 0.63 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1j0g h LEU 40 CO -0.74 -0.44 -0.43 0.11 -0.34 0.00 0.00 178.44 176.61 1j0g h LYS 41 N -0.50 -0.83 -0.16 1.25 1.57 -0.91 0.89 116.57 117.89 1j0g h LYS 41 Ca 0.07 0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1j0g h LYS 41 Cb 0.64 0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.09 1j0g h LYS 41 CO -0.46 -0.55 -0.37 0.35 -0.57 0.00 0.00 179.45 177.85 1j0g h PHE 42 N -0.86 -1.12 -0.50 -1.35 3.04 0.61 0.30 116.94 117.07 1j0g h PHE 42 Ca -0.04 0.05 0.07 0.00 3.98 0.00 0.00 57.97 62.03 1j0g h PHE 42 Cb 0.76 0.51 -0.09 0.00 2.56 0.00 0.00 35.95 39.69 1j0g h PHE 42 CO -0.23 -0.36 -0.50 0.00 -2.02 0.00 0.00 178.31 175.20 1j0g h ALA 43 N -0.59 -0.56 -0.39 2.41 0.00 0.15 0.67 119.26 120.95 1j0g h ALA 43 Ca 0.03 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1j0g h ALA 43 Cb 0.44 1.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 1j0g h ALA 43 CO -0.33 -0.94 -0.29 0.00 0.00 0.00 0.00 179.25 177.69 1j0g h ALA 44 N 0.29 -0.36 -0.87 0.00 0.00 -0.12 0.48 119.26 118.69 1j0g h ALA 44 Ca 0.13 0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.30 1j0g h ALA 44 Cb 0.57 1.09 -0.15 0.00 0.00 0.00 0.00 17.79 19.31 1j0g h ALA 44 CO -0.64 -0.55 0.08 0.93 0.00 0.00 0.00 179.25 179.07 1j0g h GLU 45 N -0.07 0.10 -0.86 0.00 5.08 0.11 1.20 114.58 120.14 1j0g h GLU 45 Ca 0.06 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1j0g h GLU 45 Cb 0.23 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1j0g h GLU 45 CO -0.40 0.07 0.57 0.93 -1.00 0.00 0.00 179.01 179.17 1j0g h GLU 46 N 0.10 0.99 -0.49 2.33 4.39 0.20 0.20 114.58 122.31 1j0g h GLU 46 Ca 0.52 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.16 1j0g h GLU 46 Cb 1.01 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1j0g h GLU 46 CO -0.75 0.65 0.00 1.19 -1.16 0.00 0.00 179.01 178.95 1j0g n PHE 47 N -4.47 0.47 -3.83 4.33 3.72 0.40 -4.89 117.46 113.20 1j0g n PHE 47 Ca 0.12 -0.19 -0.30 0.00 -0.05 0.00 0.00 57.45 57.03 1j0g n PHE 47 Cb 0.16 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.22 -2.14 -4.33 -1.08 5.02 0.69 -4.98 118.16 111.56 1j0g n LYS 48 Ca 0.09 0.41 -0.17 0.00 -2.02 0.00 0.00 58.31 56.61 1j0g n LYS 48 Cb 0.35 -4.21 -0.10 0.00 -0.02 0.00 0.00 35.03 31.05 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 -3.69 1.20 -0.17 -0.18 -7.23 -0.88 -5.00 120.40 104.45 1j0g s VAL 49 Ca 0.26 -2.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.07 1j0g s VAL 49 Cb -0.10 -2.25 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 1j0g s VAL 49 CO 0.88 -0.42 1.28 -2.16 -0.31 0.00 0.00 175.10 174.37 1j0g s PRO 50 N -3.81 4.22 -0.96 4.82 0.04 -1.26 -4.07 135.00 133.98 1j0g s PRO 50 Ca 0.26 1.66 -0.07 0.00 0.04 0.00 0.00 61.00 62.90 1j0g s PRO 50 Cb 0.04 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 1j0g s PRO 50 CO 0.07 -0.73 2.92 0.00 0.04 0.00 0.00 177.00 179.30 1j0g n ALA 51 N 6.68 6.89 0.00 8.56 0.00 -1.26 -3.61 120.51 137.77 1j0g n ALA 51 Ca 0.14 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.37 1j0g n ALA 51 Cb 0.45 -2.74 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 2.32 2.75 -1.82 0.00 0.00 -1.26 -4.88 120.51 117.61 1j0g n ALA 52 Ca 0.61 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.68 1j0g n ALA 52 Cb 0.45 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.28 3.43 -4.24 0.00 -2.24 -1.24 -4.90 114.28 102.81 1j0g n THR 53 Ca 0.00 -3.99 -0.17 0.00 -2.27 0.00 0.00 64.05 57.62 1j0g n THR 53 Cb 0.00 -1.22 -0.11 0.00 -2.10 0.00 0.00 70.33 66.91 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 -1.67 1.92 -0.00 3.42 1.04 -1.26 -3.11 113.70 114.04 1j0g s SER 54 Ca 0.55 -0.85 -0.28 0.00 0.48 0.00 0.00 55.95 55.84 1j0g s SER 54 Cb 0.45 -0.05 0.08 0.00 0.10 0.00 0.00 66.02 66.60 1j0g s SER 54 CO -0.26 -0.19 0.73 0.00 0.98 0.00 0.00 173.24 174.49 1j0g s ALA 55 N -2.42 -1.75 -0.08 5.32 0.00 0.24 -4.29 121.76 118.77 1j0g s ALA 55 Ca 0.10 1.10 0.04 0.00 0.00 0.00 0.00 51.96 53.20 1j0g s ALA 55 Cb -0.03 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1j0g s ALA 55 CO 0.02 -0.50 -0.18 0.42 0.00 0.00 0.00 175.76 175.51 1j0g s ILE 56 N -2.09 2.64 0.36 0.00 1.01 -1.26 -0.50 121.20 121.35 1j0g s ILE 56 Ca -0.05 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.79 1j0g s ILE 56 Cb -0.00 -2.03 -0.06 0.00 0.01 0.00 0.00 42.46 40.38 1j0g s ILE 56 CO 0.00 0.56 0.06 0.27 0.00 0.00 0.00 174.94 175.84 1j0g s ILE 57 N -0.19 1.17 0.00 2.92 -4.36 -1.15 -4.08 121.20 115.52 1j0g s ILE 57 Ca -0.01 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 1j0g s ILE 57 Cb -0.13 -2.71 0.00 0.00 1.25 0.00 0.00 42.46 40.87 1j0g s ILE 57 CO 0.03 0.00 0.00 0.35 0.24 0.00 0.00 174.94 175.56 1j0g n THR 58 N -0.78 0.00 -0.37 8.37 -2.24 -1.26 -3.75 114.28 114.25 1j0g n THR 58 Ca -0.04 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 1j0g n THR 58 Cb 0.66 -1.24 0.13 0.00 -2.10 0.00 0.00 70.33 67.78 1j0g n THR 58 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1j0g n ASN 59 N -1.88 3.54 -0.86 3.42 2.85 -1.26 -3.57 115.26 117.49 1j0g n ASN 59 Ca 0.00 -2.96 -0.04 0.00 -0.11 0.00 0.00 54.58 51.48 1j0g n ASN 59 Cb 0.00 -0.70 -0.04 0.00 1.24 0.00 0.00 39.78 40.28 1j0g n ASN 59 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1j0g n ASP 60 N -0.42 -0.49 -4.09 1.20 8.00 -1.26 -5.01 116.55 114.49 1j0g n ASP 60 Ca 0.35 -1.69 -0.28 0.00 0.71 0.00 0.00 54.79 53.88 1j0g n ASP 60 Cb 1.19 0.14 -0.08 0.00 -0.02 0.00 0.00 41.12 42.34 1j0g n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j0g n GLY 61 N 0.04 -0.14 0.76 0.44 0.00 -1.23 -4.76 105.19 100.30 1j0g n GLY 61 Ca -0.15 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.04 0.19 -2.09 -0.61 5.41 -1.26 -4.96 119.36 112.00 1j0g n ILE 62 Ca -0.23 -0.60 0.14 0.00 1.00 0.00 0.00 62.75 63.06 1j0g n ILE 62 Cb 0.58 1.20 -0.03 0.00 -0.71 0.00 0.00 39.64 40.67 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 1.01 -1.75 3.53 7.39 0.00 -1.26 -4.93 105.19 109.17 1j0g n GLY 63 Ca 0.12 -1.16 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.62 1.79 -0.31 -0.61 -1.09 -1.26 -4.44 121.20 113.66 1j0g s ILE 64 Ca 0.00 -2.06 -0.02 0.00 -2.23 0.00 0.00 60.65 56.34 1j0g s ILE 64 Cb 0.00 -2.78 0.10 0.00 -1.58 0.00 0.00 42.46 38.20 1j0g s ILE 64 CO 0.00 -0.10 0.12 0.20 -1.23 0.00 0.00 174.94 173.94 1j0g s ASN 65 N -3.59 3.74 -0.20 3.58 0.01 -1.26 -5.01 114.94 112.21 1j0g s ASN 65 Ca 0.34 -1.55 -0.05 0.00 -0.71 0.00 0.00 52.86 50.89 1j0g s ASN 65 Cb 0.07 -0.61 -0.18 0.00 0.41 0.00 0.00 41.25 40.94 1j0g s ASN 65 CO 0.16 -0.42 2.79 -0.81 -1.51 0.00 0.00 177.10 177.31 1j0g n PRO 66 N 4.94 1.71 0.02 -0.60 -0.04 -1.26 -3.88 135.00 135.88 1j0g n PRO 66 Ca -0.03 -0.92 0.11 0.00 -0.04 0.00 0.00 63.50 62.63 1j0g n PRO 66 Cb 0.41 -1.99 -0.10 0.00 -0.04 0.00 0.00 33.50 31.78 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 3.14 -2.41 0.55 0.00 -1.26 -4.89 120.51 118.48 1j0g n ALA 67 Ca 0.37 -0.47 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 1j0g n ALA 67 Cb 0.61 -0.85 -0.10 0.00 0.00 0.00 0.00 19.45 19.10 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 -3.37 1.52 0.56 0.00 0.00 -1.25 -5.12 119.66 112.00 1j0g s GLN 68 Ca -0.03 -1.78 -0.19 0.00 -0.00 0.00 0.00 55.36 53.37 1j0g s GLN 68 Cb 0.14 -1.01 -0.08 0.00 0.00 0.00 0.00 33.01 32.06 1j0g s GLN 68 CO 0.87 -0.02 0.69 0.25 0.00 0.00 0.00 175.29 177.08 1j0g n THR 69 N -0.56 2.67 -0.15 3.63 -2.24 -1.26 -4.35 114.28 112.01 1j0g n THR 69 Ca -0.05 -0.50 -0.03 0.00 -2.27 0.00 0.00 64.05 61.20 1j0g n THR 69 Cb 0.64 -0.84 0.03 0.00 -2.10 0.00 0.00 70.33 68.06 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 0.44 0.30 -0.04 6.98 0.00 0.17 0.92 119.26 128.03 1j0g h ALA 70 Ca -0.46 0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1j0g h ALA 70 Cb 1.38 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 1j0g h ALA 70 CO 0.49 -0.45 0.22 0.78 0.00 0.00 0.00 179.25 180.29 1j0g h GLY 71 N -0.01 0.00 0.52 0.00 0.00 -1.81 1.58 103.07 103.36 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 -0.49 0.00 -1.22 0.70 0.00 0.00 0.00 176.54 175.52 1j0g n ASN 72 N -3.10 0.55 -0.09 0.19 4.13 0.29 -3.30 115.26 113.93 1j0g n ASN 72 Ca -0.01 -0.10 -0.23 0.00 1.68 0.00 0.00 54.58 55.92 1j0g n ASN 72 Cb 0.28 0.98 -0.12 0.00 -1.54 0.00 0.00 39.78 39.39 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 -2.14 1.59 0.46 2.41 0.31 0.31 -3.02 118.33 118.26 1j0g n VAL 73 Ca 0.00 -0.35 0.10 0.00 -0.01 0.00 0.00 64.34 64.08 1j0g n VAL 73 Cb 0.48 -1.83 0.41 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 -3.97 0.45 -0.08 3.52 -1.74 0.46 -0.02 117.46 116.08 1j0g n PHE 74 Ca -0.39 0.17 -0.22 0.00 -0.56 0.00 0.00 57.45 56.44 1j0g n PHE 74 Cb 0.87 -0.78 -0.12 0.00 1.52 0.00 0.00 39.48 40.97 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 -1.90 2.19 0.17 5.98 7.94 -1.21 0.66 117.00 130.83 1j0g n LEU 75 Ca 0.03 0.31 0.04 0.00 -1.11 0.00 0.00 56.01 55.27 1j0g n LEU 75 Cb 0.21 -1.00 0.28 0.00 0.53 0.00 0.00 43.42 43.45 1j0g n LEU 75 CO 0.17 0.54 0.62 0.07 -1.11 0.00 0.00 177.39 177.69 1j0g h LYS 76 N -0.59 0.00 0.00 1.96 2.10 -1.43 -3.33 116.57 115.28 1j0g h LYS 76 Ca -0.43 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 57.83 1j0g h LYS 76 Cb 1.61 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.89 1j0g h LYS 76 CO -0.13 0.44 -2.27 0.72 -2.00 0.00 0.00 179.45 176.21 1j0g n HIS 77 N -3.59 0.00 0.00 0.07 8.25 0.98 -5.08 115.22 115.85 1j0g n HIS 77 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1j0g n HIS 77 Cb 0.54 -0.84 0.00 0.00 1.12 0.00 0.00 29.99 30.81 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 1.49 0.66 0.06 -1.41 0.00 0.21 -4.91 105.19 101.28 1j0g n GLY 78 Ca -0.46 -2.09 -0.06 0.00 0.00 0.00 0.00 46.02 43.42 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 1.40 2.39 -4.54 1.61 3.41 -1.21 -4.20 113.62 112.47 1j0g n SER 79 Ca 0.00 -0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1j0g n SER 79 Cb 0.00 0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 64.58 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 -2.26 3.39 0.12 4.33 2.02 -1.25 -0.53 118.70 124.52 1j0g s GLU 80 Ca -0.07 -0.07 -0.02 0.00 0.02 0.00 0.00 54.97 54.83 1j0g s GLU 80 Cb 0.03 -4.05 -0.04 0.00 0.10 0.00 0.00 34.13 30.18 1j0g s GLU 80 CO 0.43 -1.60 0.06 -0.51 0.02 0.00 0.00 175.26 173.66 1j0g s LEU 81 N 4.43 1.80 -0.07 1.80 1.43 -0.94 -4.80 118.68 122.33 1j0g s LEU 81 Ca 0.35 -1.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.33 1j0g s LEU 81 Cb -0.10 0.36 -0.02 0.00 0.03 0.00 0.00 46.19 46.45 1j0g s LEU 81 CO 0.21 -0.72 -0.16 -0.13 0.23 0.00 0.00 176.35 175.78 1j0g s ARG 82 N -4.03 2.70 -0.38 1.70 0.52 -1.25 -3.31 118.95 114.91 1j0g s ARG 82 Ca 0.21 -0.74 -0.15 0.00 -0.52 0.00 0.00 55.73 54.54 1j0g s ARG 82 Cb 0.07 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 33.16 1j0g s ARG 82 CO 0.00 0.48 0.33 -1.50 0.02 0.00 0.00 175.30 174.63 1j0g s ILE 83 N -0.38 5.21 0.21 1.52 2.07 -1.26 -2.93 121.20 125.65 1j0g s ILE 83 Ca 0.04 -0.34 0.11 0.00 -1.41 0.00 0.00 60.65 59.04 1j0g s ILE 83 Cb -0.12 -3.88 -0.05 0.00 0.13 0.00 0.00 42.46 38.54 1j0g s ILE 83 CO 0.02 -0.22 -0.21 0.27 -1.91 0.00 0.00 174.94 172.90 1j0g s ILE 84 N 1.86 2.21 -0.11 2.00 -5.25 0.34 -4.39 121.20 117.87 1j0g s ILE 84 Ca 0.08 -2.14 -0.30 0.00 -0.99 0.00 0.00 60.65 57.31 1j0g s ILE 84 Cb -0.18 -2.11 -0.02 0.00 2.95 0.00 0.00 42.46 43.10 1j0g s ILE 84 CO 0.11 -0.29 1.25 -2.16 -1.79 0.00 0.00 174.94 172.06 1j0g s PRO 85 N -3.04 4.29 0.95 0.37 0.04 -1.26 0.80 135.00 137.14 1j0g s PRO 85 Ca 0.23 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.83 1j0g s PRO 85 Cb -0.06 -3.67 0.05 0.00 0.04 0.00 0.00 34.50 30.87 1j0g s PRO 85 CO 0.10 -0.59 0.50 2.89 0.04 0.00 0.00 177.00 179.95 1j0g n ARG 86 N 5.92 -0.32 0.00 4.56 1.85 -1.18 -4.84 116.66 122.65 1j0g n ARG 86 Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 1j0g n ARG 86 Cb 0.45 -1.92 0.00 0.00 -1.05 0.00 0.00 32.46 29.94 1j0g n ARG 86 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1j0g n ASP 87 N -1.71 0.00 0.06 2.89 8.00 -1.26 -4.86 116.55 119.67 1j0g n ASP 87 Ca 0.07 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.55 1j0g n ASP 87 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.62 1j0g n ASP 87 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1j0g h ARG 88 N 0.00 -0.15 0.00 -1.24 2.47 -1.99 -3.44 114.38 110.03 1j0g h ARG 88 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1j0g h ARG 88 Cb 0.00 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1j0g h ARG 88 CO 0.00 -0.10 -0.69 1.33 0.56 0.00 0.00 179.97 181.07 1j0g n VAL 89 N -2.52 0.00 0.00 2.04 0.24 -1.26 -5.15 118.33 111.67 1j0g n VAL 89 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1j0g n VAL 89 Cb 0.06 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 31.67 1j0g n VAL 89 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j0g n GLY 90 N 2.72 1.45 3.33 7.63 0.00 -1.26 -5.09 105.19 113.97 1j0g n GLY 90 Ca 0.00 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 1j0g n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j0g n SER 91 N 0.00 -6.19 -0.19 1.61 3.41 -1.26 -5.16 113.62 105.84 1j0g n SER 91 Ca 0.00 0.03 0.15 0.00 -0.26 0.00 0.00 58.87 58.79 1j0g n SER 91 Cb 0.00 -2.72 0.78 0.00 -0.26 0.00 0.00 64.21 62.01 1j0g n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88