#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 -0.35 0.22 1.61 1.04 -1.26 -5.09 113.70 109.87 1j0g s SER 2 Ca 0.00 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1j0g s SER 2 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1j0g s SER 2 CO 0.00 -0.63 0.00 -0.62 0.98 0.00 0.00 173.24 172.97 1j0g n GLU 3 N -0.26 0.00 -4.03 4.02 -0.58 -1.26 -5.16 120.64 113.37 1j0g n GLU 3 Ca -0.08 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.53 1j0g n GLU 3 Cb 0.62 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.45 1j0g n GLU 3 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1j0g s GLY 4 N -3.56 1.12 -1.13 0.62 0.00 -1.26 -5.07 107.32 98.04 1j0g s GLY 4 Ca 0.00 -1.27 -0.05 0.00 0.00 0.00 0.00 44.72 43.40 1j0g s GLY 4 CO 0.00 -0.82 1.59 0.00 0.00 0.00 0.00 173.10 173.87 1j0g n ALA 5 N -0.52 5.26 -3.49 3.20 0.00 -1.26 -4.92 120.51 118.78 1j0g n ALA 5 Ca -0.01 -4.69 -0.16 0.00 0.00 0.00 0.00 53.44 48.58 1j0g n ALA 5 Cb 0.61 -2.50 -0.05 0.00 0.00 0.00 0.00 19.45 17.51 1j0g n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g s ALA 6 N -2.05 -1.73 -0.37 0.00 0.00 -1.26 -5.13 121.76 111.22 1j0g s ALA 6 Ca 0.33 1.10 0.03 0.00 0.00 0.00 0.00 51.96 53.43 1j0g s ALA 6 Cb 0.06 0.22 0.11 0.00 0.00 0.00 0.00 23.12 23.51 1j0g s ALA 6 CO 0.08 -0.48 0.10 0.99 0.00 0.00 0.00 175.76 176.46 1j0g s THR 7 N -1.88 2.05 -0.44 0.00 2.01 -1.26 -5.06 115.64 111.06 1j0g s THR 7 Ca -0.07 -2.37 -0.03 0.00 0.31 0.00 0.00 61.69 59.52 1j0g s THR 7 Cb -0.00 -2.50 0.12 0.00 0.01 0.00 0.00 72.50 70.12 1j0g s THR 7 CO 0.04 -0.66 0.24 -0.32 -0.69 0.00 0.00 174.62 173.22 1j0g s MET 8 N 0.78 2.08 -0.09 4.92 0.00 -1.26 -4.89 119.30 120.84 1j0g s MET 8 Ca 0.12 -1.95 -0.07 0.00 0.00 0.00 0.00 55.69 53.80 1j0g s MET 8 Cb -0.20 -3.60 0.03 0.00 0.00 0.00 0.00 34.83 31.05 1j0g s MET 8 CO -0.09 -1.09 0.13 0.43 0.00 0.00 0.00 175.02 174.40 1j0g n SER 9 N 4.39 -3.95 -3.95 1.11 7.64 -1.26 -4.89 113.62 112.71 1j0g n SER 9 Ca -0.00 1.45 -0.23 0.00 1.01 0.00 0.00 58.87 61.10 1j0g n SER 9 Cb 0.41 -4.60 -0.08 0.00 -1.01 0.00 0.00 64.21 58.92 1j0g n SER 9 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1j0g s LYS 10 N -0.53 1.83 -0.14 1.43 1.02 -1.26 -3.88 119.74 118.21 1j0g s LYS 10 Ca -0.15 -2.09 -0.08 0.00 0.02 0.00 0.00 55.97 53.66 1j0g s LYS 10 Cb 0.01 -0.34 0.05 0.00 -0.52 0.00 0.00 37.83 37.03 1j0g s LYS 10 CO 0.41 -0.50 0.33 0.14 -0.92 0.00 0.00 175.35 174.81 1j0g s VAL 11 N -3.33 -0.02 -0.11 3.17 -7.23 -0.48 -4.77 120.40 107.62 1j0g s VAL 11 Ca 0.29 0.09 -0.06 0.00 -1.81 0.00 0.00 61.98 60.49 1j0g s VAL 11 Cb 0.03 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 1j0g s VAL 11 CO 0.18 0.04 0.11 -0.94 -0.31 0.00 0.00 175.10 174.17 1j0g s SER 12 N 1.03 6.10 -0.18 4.85 1.04 -1.26 -2.86 113.70 122.42 1j0g s SER 12 Ca -0.07 0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.76 1j0g s SER 12 Cb -0.07 -1.92 0.02 0.00 0.10 0.00 0.00 66.02 64.14 1j0g s SER 12 CO -0.08 0.40 -0.19 -0.36 0.98 0.00 0.00 173.24 173.99 1j0g s PHE 13 N -0.99 2.79 -0.67 5.02 0.40 -1.16 -4.70 117.98 118.68 1j0g s PHE 13 Ca 0.15 -1.62 -0.16 0.00 -0.60 0.00 0.00 56.93 54.70 1j0g s PHE 13 Cb -0.12 -1.93 0.16 0.00 0.51 0.00 0.00 43.02 41.64 1j0g s PHE 13 CO 0.04 -0.80 0.67 0.21 0.70 0.00 0.00 175.22 176.03 1j0g s LYS 14 N 1.30 3.24 0.08 0.44 2.20 0.25 -3.32 119.74 123.93 1j0g s LYS 14 Ca 0.05 -1.90 0.06 0.00 -0.36 0.00 0.00 55.97 53.82 1j0g s LYS 14 Cb -0.13 -4.37 -0.04 0.00 -1.51 0.00 0.00 37.83 31.78 1j0g s LYS 14 CO -0.13 -1.38 -0.10 0.42 -0.36 0.00 0.00 175.35 173.80 1j0g s ILE 15 N 1.38 3.39 -0.26 5.43 1.01 -1.25 -2.40 121.20 128.49 1j0g s ILE 15 Ca 0.11 -1.15 0.01 0.00 0.00 0.00 0.00 60.65 59.62 1j0g s ILE 15 Cb -0.21 -2.55 0.07 0.00 0.01 0.00 0.00 42.46 39.79 1j0g s ILE 15 CO -0.01 0.19 -0.01 -0.89 0.00 0.00 0.00 174.94 174.22 1j0g s THR 16 N -1.14 1.52 -0.26 2.92 2.01 -1.20 -3.09 115.64 116.40 1j0g s THR 16 Ca 0.20 -1.41 -0.37 0.00 0.31 0.00 0.00 61.69 60.41 1j0g s THR 16 Cb -0.11 -1.90 -0.13 0.00 0.01 0.00 0.00 72.50 70.37 1j0g s THR 16 CO 0.12 -0.28 1.92 -0.11 -0.69 0.00 0.00 174.62 175.58 1j0g n LEU 17 N 4.64 2.53 -4.37 4.42 7.94 -0.87 -4.23 117.00 127.07 1j0g n LEU 17 Ca -0.08 0.84 -0.44 0.00 -1.11 0.00 0.00 56.01 55.22 1j0g n LEU 17 Cb 0.43 -1.23 -0.08 0.00 0.53 0.00 0.00 43.42 43.08 1j0g n LEU 17 CO 0.17 -0.43 0.03 0.42 -1.11 0.00 0.00 177.39 176.47 1j0g s THR 18 N 4.88 5.13 0.00 1.96 -4.23 -1.24 -4.06 115.64 118.08 1j0g s THR 18 Ca 1.01 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1j0g s THR 18 Cb -0.93 -4.10 0.00 0.00 1.34 0.00 0.00 72.50 68.82 1j0g s THR 18 CO 0.58 -0.61 0.00 -1.54 -0.54 0.00 0.00 174.62 172.51 1j0g n SER 19 N 5.18 0.00 -4.75 3.99 3.41 -1.26 -4.86 113.62 115.32 1j0g n SER 19 Ca -0.12 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.16 1j0g n SER 19 Cb 0.43 0.07 0.07 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.05 4.64 -0.75 4.04 2.15 -1.26 -4.85 116.67 120.69 1j0g s ASP 20 Ca 0.00 2.05 -0.06 0.00 0.43 0.00 0.00 52.55 54.97 1j0g s ASP 20 Cb 0.00 -2.55 -0.12 0.00 -0.30 0.00 0.00 42.92 39.95 1j0g s ASP 20 CO 0.00 -1.95 2.62 -0.81 -0.17 0.00 0.00 175.17 174.87 1j0g n PRO 21 N -2.83 2.29 0.01 4.34 -0.04 -1.26 -3.16 135.00 134.35 1j0g n PRO 21 Ca 0.11 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1j0g n PRO 21 Cb 0.52 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 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 3.43 0.00 -2.82 0.54 5.12 -1.26 -5.09 116.66 116.58 1j0g n ARG 22 Ca 0.49 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 56.35 1j0g n ARG 22 Cb 0.37 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.70 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 -2.54 -5.41 -4.81 0.55 4.32 -1.19 -4.99 117.00 102.92 1j0g n LEU 23 Ca 0.00 -0.30 -0.32 0.00 -0.02 0.00 0.00 56.01 55.37 1j0g n LEU 23 Cb 0.00 -2.77 0.03 0.00 -1.62 0.00 0.00 43.42 39.06 1j0g n LEU 23 CO 0.00 -0.44 0.71 -2.16 -1.22 0.00 0.00 177.39 174.28 1j0g s PRO 24 N -3.53 3.16 0.16 3.23 0.04 -1.26 -4.78 135.00 132.02 1j0g s PRO 24 Ca 0.17 1.06 0.08 0.00 0.04 0.00 0.00 61.00 62.35 1j0g s PRO 24 Cb -0.02 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1j0g s PRO 24 CO 0.60 -0.92 -0.17 1.52 0.04 0.00 0.00 177.00 178.06 1j0g s TYR 25 N -2.77 1.74 -0.07 0.56 1.13 -1.26 -2.06 117.35 114.61 1j0g s TYR 25 Ca 0.60 -0.49 -0.06 0.00 -1.41 0.00 0.00 57.07 55.71 1j0g s TYR 25 Cb -0.15 -0.87 0.02 0.00 -1.10 0.00 0.00 41.96 39.87 1j0g s TYR 25 CO 0.46 0.30 0.19 -1.59 -2.51 0.00 0.00 175.55 172.40 1j0g s LYS 26 N -2.84 0.22 -0.48 -3.49 0.00 -1.18 -5.05 119.74 106.92 1j0g s LYS 26 Ca 0.15 0.29 -0.15 0.00 0.00 0.00 0.00 55.97 56.25 1j0g s LYS 26 Cb -0.05 0.08 0.08 0.00 0.00 0.00 0.00 37.83 37.94 1j0g s LYS 26 CO 0.06 -0.04 0.41 0.08 0.00 0.00 0.00 175.35 175.86 1j0g s VAL 27 N 0.21 5.17 0.39 1.79 1.01 -1.26 -3.87 120.40 123.85 1j0g s VAL 27 Ca -0.01 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 1j0g s VAL 27 Cb -0.02 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1j0g s VAL 27 CO -0.01 -0.63 0.62 -0.22 0.00 0.00 0.00 175.10 174.87 1j0g s LEU 28 N 1.62 3.87 -0.12 3.92 2.96 -1.21 -4.95 118.68 124.77 1j0g s LEU 28 Ca 0.04 0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 54.45 1j0g s LEU 28 Cb -0.25 -3.43 0.06 0.00 0.50 0.00 0.00 46.19 43.07 1j0g s LEU 28 CO 0.06 -0.42 0.25 -0.55 -1.32 0.00 0.00 176.35 174.36 1j0g s SER 29 N -4.08 0.32 0.07 3.68 0.15 -1.26 -2.99 113.70 109.60 1j0g s SER 29 Ca 0.43 0.55 -0.13 0.00 0.70 0.00 0.00 55.95 57.51 1j0g s SER 29 Cb -0.10 0.61 0.02 0.00 -1.71 0.00 0.00 66.02 64.84 1j0g s SER 29 CO 0.38 -0.23 0.28 0.68 1.20 0.00 0.00 173.24 175.56 1j0g s VAL 30 N 2.26 0.10 -0.10 4.45 -7.23 -1.13 -4.98 120.40 113.77 1j0g s VAL 30 Ca 0.00 -0.81 -0.30 0.00 -1.81 0.00 0.00 61.98 59.06 1j0g s VAL 30 Cb -0.12 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 1j0g s VAL 30 CO -0.08 -0.45 1.24 -2.16 -0.31 0.00 0.00 175.10 173.34 1j0g s PRO 31 N -3.18 4.30 0.31 4.82 0.04 -1.26 -1.39 135.00 138.63 1j0g s PRO 31 Ca -0.01 1.69 0.05 0.00 0.04 0.00 0.00 61.00 62.78 1j0g s PRO 31 Cb 0.01 -3.65 0.83 0.00 0.04 0.00 0.00 34.50 31.73 1j0g s PRO 31 CO -0.07 -0.57 1.49 -0.85 0.04 0.00 0.00 177.00 177.04 1j0g n GLU 32 N 5.82 -0.07 -0.68 4.56 0.28 -1.25 0.20 120.64 129.49 1j0g n GLU 32 Ca 0.12 1.40 0.51 0.00 -0.16 0.00 0.00 57.16 59.04 1j0g n GLU 32 Cb 0.45 -2.28 0.78 0.00 1.43 0.00 0.00 31.44 31.82 1j0g n GLU 32 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1j0g n SER 33 N -5.36 0.00 -4.78 -1.84 3.41 -1.26 -1.60 113.62 102.18 1j0g n SER 33 Ca 0.25 0.95 -0.36 0.00 -0.26 0.00 0.00 58.87 59.44 1j0g n SER 33 Cb 0.82 -0.47 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 1j0g n SER 33 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j0g s THR 34 N -4.76 4.19 0.08 6.66 2.01 0.52 -4.75 115.64 119.60 1j0g s THR 34 Ca -0.05 1.75 -0.30 0.00 0.31 0.00 0.00 61.69 63.40 1j0g s THR 34 Cb 0.25 -3.94 -0.06 0.00 0.01 0.00 0.00 72.50 68.77 1j0g s THR 34 CO 0.85 0.08 1.16 -2.16 -0.69 0.00 0.00 174.62 173.86 1j0g s PRO 35 N -2.21 4.48 0.63 4.92 0.04 -1.26 0.22 135.00 141.81 1j0g s PRO 35 Ca 0.52 1.73 0.26 0.00 0.04 0.00 0.00 61.00 63.55 1j0g s PRO 35 Cb -0.18 -3.34 1.32 0.00 0.04 0.00 0.00 34.50 32.34 1j0g s PRO 35 CO 0.23 -0.17 1.75 0.35 0.04 0.00 0.00 177.00 179.20 1j0g h PHE 36 N 6.41 0.00 -0.13 0.56 3.04 -1.84 0.53 116.94 125.51 1j0g h PHE 36 Ca -0.42 0.00 0.04 0.00 3.98 0.00 0.00 57.97 61.57 1j0g h PHE 36 Cb 1.21 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.72 1j0g h PHE 36 CO 0.66 0.00 0.15 0.00 -2.02 0.00 0.00 178.31 177.10 1j0g h THR 37 N 0.00 0.49 0.00 4.41 1.03 -1.90 0.31 112.91 117.25 1j0g h THR 37 Ca 0.14 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 66.35 1j0g h THR 37 Cb 1.27 0.88 -0.03 0.00 -1.07 0.00 0.00 68.15 69.20 1j0g h THR 37 CO -0.00 0.00 -0.90 0.00 -0.01 0.00 0.00 175.52 174.60 1j0g h ALA 38 N 1.83 0.51 0.51 0.00 0.00 -0.31 -3.21 119.26 118.59 1j0g h ALA 38 Ca 0.06 -0.82 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 1j0g h ALA 38 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1j0g h ALA 38 CO -0.00 1.12 -0.38 0.28 0.00 0.00 0.00 179.25 180.27 1j0g h VAL 39 N 0.00 0.00 -0.83 0.00 2.07 -0.47 0.61 116.25 117.63 1j0g h VAL 39 Ca -0.01 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.71 1j0g h VAL 39 Cb 1.60 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.23 1j0g h VAL 39 CO 0.12 0.00 0.12 0.17 0.02 0.00 0.00 177.57 178.00 1j0g h LEU 40 N -0.86 -0.18 -0.66 2.57 8.10 -1.63 1.54 115.31 124.19 1j0g h LEU 40 Ca -0.07 0.20 -0.01 0.00 0.11 0.00 0.00 57.88 58.11 1j0g h LEU 40 Cb 0.71 0.31 -0.03 0.00 -0.44 0.00 0.00 40.66 41.21 1j0g h LEU 40 CO 0.02 -0.17 0.39 0.11 -4.11 0.00 0.00 178.44 174.68 1j0g h LYS 41 N 0.16 0.90 0.20 0.17 1.57 -1.42 -1.25 116.57 116.89 1j0g h LYS 41 Ca 0.49 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 1j0g h LYS 41 Cb 0.93 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1j0g h LYS 41 CO -0.67 0.66 -0.09 0.35 -0.57 0.00 0.00 179.45 179.12 1j0g h PHE 42 N 0.90 -0.25 -1.04 -1.35 3.04 0.64 -2.75 116.94 116.13 1j0g h PHE 42 Ca 0.24 -0.01 0.27 0.00 3.98 0.00 0.00 57.97 62.45 1j0g h PHE 42 Cb -0.01 0.08 -0.10 0.00 2.56 0.00 0.00 35.95 38.48 1j0g h PHE 42 CO -0.01 0.10 0.66 0.00 -2.02 0.00 0.00 178.31 177.03 1j0g h ALA 43 N 0.07 2.14 0.16 2.41 0.00 0.19 0.34 119.26 124.57 1j0g h ALA 43 Ca -0.03 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1j0g h ALA 43 Cb 0.45 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1j0g h ALA 43 CO 0.04 -0.57 -0.08 0.00 0.00 0.00 0.00 179.25 178.64 1j0g h ALA 44 N 1.65 -0.21 0.00 0.00 0.00 -1.04 0.13 119.26 119.78 1j0g h ALA 44 Ca 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1j0g h ALA 44 Cb 1.48 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1j0g h ALA 44 CO -0.35 -0.61 0.00 0.93 0.00 0.00 0.00 179.25 179.22 1j0g h GLU 45 N -0.24 0.00 0.14 0.00 5.08 -0.12 0.14 114.58 119.58 1j0g h GLU 45 Ca -0.02 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.01 1j0g h GLU 45 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1j0g h GLU 45 CO 0.04 0.00 -1.70 0.93 -1.00 0.00 0.00 179.01 177.28 1j0g h GLU 46 N 0.00 0.29 -0.87 2.33 4.39 0.47 -3.32 114.58 117.88 1j0g h GLU 46 Ca 0.00 -0.50 -0.22 0.00 0.34 0.00 0.00 59.36 58.98 1j0g h GLU 46 Cb 0.07 0.19 -0.13 0.00 -0.10 0.00 0.00 28.75 28.77 1j0g h GLU 46 CO 0.00 1.16 0.28 1.19 -1.16 0.00 0.00 179.01 180.48 1j0g n PHE 47 N -3.48 1.98 -4.26 4.33 3.72 0.29 -4.89 117.46 115.15 1j0g n PHE 47 Ca -0.22 -1.09 -0.31 0.00 -0.05 0.00 0.00 57.45 55.78 1j0g n PHE 47 Cb 1.06 -0.62 -0.07 0.00 -0.94 0.00 0.00 39.48 38.91 1j0g n PHE 47 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1j0g n LYS 48 N -0.21 -1.60 -4.25 -1.08 4.81 -0.74 -4.93 118.16 110.17 1j0g n LYS 48 Ca 0.34 0.19 -0.16 0.00 -0.87 0.00 0.00 58.31 57.81 1j0g n LYS 48 Cb 1.20 -4.03 -0.10 0.00 0.02 0.00 0.00 35.03 32.11 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 -4.08 1.24 0.23 3.15 -7.23 0.36 -5.03 120.40 109.05 1j0g s VAL 49 Ca 0.15 -1.90 -0.30 0.00 -1.81 0.00 0.00 61.98 58.12 1j0g s VAL 49 Cb -0.09 -1.69 -0.09 0.00 0.56 0.00 0.00 36.38 35.08 1j0g s VAL 49 CO 0.97 -0.59 1.10 -2.16 -0.31 0.00 0.00 175.10 174.10 1j0g s PRO 50 N -3.23 4.63 -0.24 4.82 0.04 -1.26 -3.74 135.00 136.01 1j0g s PRO 50 Ca 0.13 1.75 -0.05 0.00 0.04 0.00 0.00 61.00 62.88 1j0g s PRO 50 Cb -0.01 -3.23 -0.08 0.00 0.04 0.00 0.00 34.50 31.22 1j0g s PRO 50 CO 0.02 0.16 3.08 0.00 0.04 0.00 0.00 177.00 180.29 1j0g n ALA 51 N 1.77 6.28 0.00 8.56 0.00 -1.26 -3.65 120.51 132.21 1j0g n ALA 51 Ca 0.01 -2.36 0.00 0.00 0.00 0.00 0.00 53.44 51.09 1j0g n ALA 51 Cb 0.45 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 1.57 2.99 -0.89 0.00 0.00 -1.26 -4.82 120.51 118.09 1j0g n ALA 52 Ca 0.44 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.66 1j0g n ALA 52 Cb 0.71 0.12 0.08 0.00 0.00 0.00 0.00 19.45 20.36 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 -2.62 2.93 -4.27 0.00 -2.24 -1.24 -4.77 114.28 102.07 1j0g n THR 53 Ca 0.00 -1.89 -0.17 0.00 -2.27 0.00 0.00 64.05 59.72 1j0g n THR 53 Cb 0.12 -1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 67.20 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 -0.63 2.07 -0.03 3.42 1.04 -1.26 -2.48 113.70 115.82 1j0g s SER 54 Ca 0.43 -0.93 -0.29 0.00 0.48 0.00 0.00 55.95 55.64 1j0g s SER 54 Cb 0.35 -0.06 0.08 0.00 0.10 0.00 0.00 66.02 66.48 1j0g s SER 54 CO 0.02 -0.22 0.73 0.00 0.98 0.00 0.00 173.24 174.76 1j0g s ALA 55 N -2.76 -1.77 -0.02 5.32 0.00 0.33 -4.30 121.76 118.57 1j0g s ALA 55 Ca 0.15 1.20 0.07 0.00 0.00 0.00 0.00 51.96 53.38 1j0g s ALA 55 Cb -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 1j0g s ALA 55 CO 0.03 -0.45 -0.22 0.42 0.00 0.00 0.00 175.76 175.54 1j0g s ILE 56 N -1.73 2.40 0.36 0.00 1.01 -1.26 0.18 121.20 122.16 1j0g s ILE 56 Ca -0.06 -1.02 0.06 0.00 0.00 0.00 0.00 60.65 59.63 1j0g s ILE 56 Cb -0.00 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 1j0g s ILE 56 CO 0.04 0.55 0.23 0.27 0.00 0.00 0.00 174.94 176.03 1j0g s ILE 57 N -0.68 0.18 0.00 2.92 -4.36 -0.72 -3.56 121.20 114.98 1j0g s ILE 57 Ca 0.11 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 1j0g s ILE 57 Cb -0.10 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.18 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 -0.74 0.00 -1.01 8.37 -2.24 -1.26 -3.17 114.28 114.22 1j0g n THR 58 Ca 0.03 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.56 1j0g n THR 58 Cb 0.63 -1.08 0.08 0.00 -2.10 0.00 0.00 70.33 67.86 1j0g n THR 58 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1j0g n ASN 59 N -1.94 6.23 -0.51 3.42 3.02 -1.26 -3.69 115.26 120.54 1j0g n ASN 59 Ca 0.00 -3.39 -0.00 0.00 -0.03 0.00 0.00 54.58 51.16 1j0g n ASN 59 Cb 0.00 -0.95 -0.00 0.00 -0.61 0.00 0.00 39.78 38.22 1j0g n ASN 59 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1j0g n ASP 60 N -0.44 0.00 -3.63 6.41 9.92 -1.26 -5.02 116.55 122.53 1j0g n ASP 60 Ca 0.47 -1.63 -0.25 0.00 -0.53 0.00 0.00 54.79 52.85 1j0g n ASP 60 Cb 0.82 -0.13 0.04 0.00 -0.64 0.00 0.00 41.12 41.21 1j0g n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j0g n GLY 61 N 0.00 -0.74 0.00 0.44 0.00 -1.24 -4.99 105.19 98.67 1j0g n GLY 61 Ca -0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -4.06 0.00 -3.61 -0.61 5.41 -1.26 -4.99 119.36 110.24 1j0g n ILE 62 Ca -0.17 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.56 1j0g n ILE 62 Cb 0.63 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.52 1j0g n ILE 62 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1j0g s GLY 63 N 0.00 -0.61 0.51 7.39 0.00 -1.26 -4.50 107.32 108.84 1j0g s GLY 63 Ca 0.00 2.50 -0.22 0.00 0.00 0.00 0.00 44.72 47.00 1j0g s GLY 63 CO 0.00 3.00 1.23 -0.42 0.00 0.00 0.00 173.10 176.91 1j0g s ILE 64 N 2.62 2.71 -0.32 0.90 1.01 -1.23 -4.96 121.20 121.92 1j0g s ILE 64 Ca -0.06 0.52 -0.00 0.00 0.00 0.00 0.00 60.65 61.10 1j0g s ILE 64 Cb -0.10 -3.25 0.07 0.00 0.01 0.00 0.00 42.46 39.19 1j0g s ILE 64 CO -0.19 -0.02 0.02 0.21 0.00 0.00 0.00 174.94 174.96 1j0g s ASN 65 N -1.26 4.85 -0.22 3.58 2.47 -1.26 -4.99 114.94 118.11 1j0g s ASN 65 Ca 0.68 -1.55 -0.05 0.00 0.42 0.00 0.00 52.86 52.36 1j0g s ASN 65 Cb -0.33 -1.69 -0.18 0.00 -1.45 0.00 0.00 41.25 37.61 1j0g s ASN 65 CO 0.39 -0.31 2.77 -0.81 -3.72 0.00 0.00 177.10 175.41 1j0g n PRO 66 N 4.53 1.73 0.06 0.43 -0.04 -1.26 -4.06 135.00 136.38 1j0g n PRO 66 Ca -0.09 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 1j0g n PRO 66 Cb 0.43 -2.00 -0.06 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 h ALA 67 N 4.12 0.65 -1.78 0.55 0.00 -2.00 -3.46 119.26 117.35 1j0g h ALA 67 Ca 0.24 -0.75 -0.63 0.00 0.00 0.00 0.00 54.91 53.77 1j0g h ALA 67 Cb 0.97 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 18.81 1j0g h ALA 67 CO 0.53 0.85 -0.63 1.14 0.00 0.00 0.00 179.25 181.14 1j0g s GLN 68 N -2.93 1.90 0.54 0.00 0.00 -1.26 -5.10 119.66 112.81 1j0g s GLN 68 Ca -0.01 -2.04 -0.19 0.00 -0.00 0.00 0.00 55.36 53.12 1j0g s GLN 68 Cb 0.08 -1.67 -0.08 0.00 0.00 0.00 0.00 33.01 31.34 1j0g s GLN 68 CO 0.80 0.03 0.73 0.25 0.00 0.00 0.00 175.29 177.10 1j0g n THR 69 N -0.90 2.67 -0.24 3.63 -2.24 -1.26 -4.35 114.28 111.60 1j0g n THR 69 Ca -0.05 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.26 1j0g n THR 69 Cb 0.65 -0.88 0.13 0.00 -2.10 0.00 0.00 70.33 68.14 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 0.56 0.69 -0.06 6.98 0.00 0.77 1.60 119.26 129.80 1j0g h ALA 70 Ca -0.46 0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1j0g h ALA 70 Cb 1.38 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 1j0g h ALA 70 CO 0.50 -0.41 0.11 0.78 0.00 0.00 0.00 179.25 180.23 1j0g h GLY 71 N 0.10 0.00 0.46 0.00 0.00 -1.77 1.56 103.07 103.42 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 -0.62 0.00 -1.23 0.70 0.00 0.00 0.00 176.54 175.39 1j0g n ASN 72 N -3.45 0.54 -0.08 0.19 3.02 0.50 -3.36 115.26 112.62 1j0g n ASN 72 Ca -0.01 -0.17 -0.23 0.00 -0.03 0.00 0.00 54.58 54.14 1j0g n ASN 72 Cb 0.19 1.03 -0.12 0.00 -0.61 0.00 0.00 39.78 40.27 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 -2.07 1.61 0.52 2.41 0.31 0.17 -3.01 118.33 118.26 1j0g n VAL 73 Ca 0.01 -0.30 0.09 0.00 -0.01 0.00 0.00 64.34 64.12 1j0g n VAL 73 Cb 0.47 -1.88 0.37 0.00 -0.91 0.00 0.00 33.84 31.89 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 -4.04 0.18 -0.06 3.52 -1.74 0.49 -0.11 117.46 115.70 1j0g n PHE 74 Ca -0.36 0.07 -0.22 0.00 -0.56 0.00 0.00 57.45 56.38 1j0g n PHE 74 Cb 0.84 -0.61 -0.12 0.00 1.52 0.00 0.00 39.48 41.11 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 -1.67 2.27 0.15 5.98 7.94 -1.21 0.55 117.00 131.02 1j0g n LEU 75 Ca 0.04 0.29 0.02 0.00 -1.11 0.00 0.00 56.01 55.24 1j0g n LEU 75 Cb 0.20 -1.01 0.19 0.00 0.53 0.00 0.00 43.42 43.32 1j0g n LEU 75 CO 0.16 0.59 0.53 0.07 -1.11 0.00 0.00 177.39 177.64 1j0g h LYS 76 N -0.48 0.00 0.00 1.96 2.10 -1.42 -3.34 116.57 115.38 1j0g h LYS 76 Ca -0.43 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 57.87 1j0g h LYS 76 Cb 1.68 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.96 1j0g h LYS 76 CO -0.10 0.54 -2.15 0.72 -2.00 0.00 0.00 179.45 176.46 1j0g n HIS 77 N -3.52 0.00 0.00 0.07 8.25 0.85 -5.08 115.22 115.78 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 0.63 -0.82 0.00 0.00 1.12 0.00 0.00 29.99 30.92 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 1.60 0.10 -1.41 0.00 0.19 -4.89 105.19 102.26 1j0g n GLY 78 Ca -0.43 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.29 1j0g n GLY 78 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j0g n SER 79 N 0.00 1.27 -4.54 1.61 2.88 -1.19 -4.44 113.62 109.21 1j0g n SER 79 Ca 0.00 0.30 -0.42 0.00 -1.33 0.00 0.00 58.87 57.42 1j0g n SER 79 Cb 0.00 -0.27 -0.03 0.00 -0.75 0.00 0.00 64.21 63.15 1j0g n SER 79 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1j0g s GLU 80 N -2.58 3.36 0.14 -1.46 2.02 -1.25 -0.58 118.70 118.35 1j0g s GLU 80 Ca -0.12 -0.13 -0.01 0.00 0.02 0.00 0.00 54.97 54.73 1j0g s GLU 80 Cb 0.07 -4.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.20 1j0g s GLU 80 CO 0.80 -1.63 0.07 -0.51 0.02 0.00 0.00 175.26 174.01 1j0g s LEU 81 N 4.43 1.66 -0.06 1.80 1.43 -1.01 -4.80 118.68 122.13 1j0g s LEU 81 Ca 0.34 -1.24 0.06 0.00 -1.03 0.00 0.00 54.13 52.26 1j0g s LEU 81 Cb -0.11 0.31 -0.01 0.00 0.03 0.00 0.00 46.19 46.41 1j0g s LEU 81 CO 0.20 -0.75 -0.23 -0.13 0.23 0.00 0.00 176.35 175.67 1j0g s ARG 82 N -4.07 2.57 -0.21 1.70 0.52 -1.19 -3.21 118.95 115.06 1j0g s ARG 82 Ca 0.27 -0.88 -0.14 0.00 -0.52 0.00 0.00 55.73 54.47 1j0g s ARG 82 Cb 0.07 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 1j0g s ARG 82 CO 0.04 0.41 0.29 -1.50 0.02 0.00 0.00 175.30 174.56 1j0g s ILE 83 N -0.22 5.28 0.22 1.52 2.07 -1.26 -1.76 121.20 127.06 1j0g s ILE 83 Ca -0.02 0.49 0.11 0.00 -1.41 0.00 0.00 60.65 59.82 1j0g s ILE 83 Cb -0.13 -3.63 -0.05 0.00 0.13 0.00 0.00 42.46 38.78 1j0g s ILE 83 CO 0.03 0.31 -0.21 0.27 -1.91 0.00 0.00 174.94 173.44 1j0g s ILE 84 N 1.03 2.28 -0.05 2.00 -5.25 0.49 -3.59 121.20 118.10 1j0g s ILE 84 Ca 0.14 -2.16 -0.30 0.00 -0.99 0.00 0.00 60.65 57.34 1j0g s ILE 84 Cb -0.14 -2.14 -0.04 0.00 2.95 0.00 0.00 42.46 43.10 1j0g s ILE 84 CO 0.06 -0.28 1.22 -2.16 -1.79 0.00 0.00 174.94 171.98 1j0g s PRO 85 N -3.05 4.35 0.37 0.37 0.04 -1.26 0.12 135.00 135.94 1j0g s PRO 85 Ca 0.23 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.75 1j0g s PRO 85 Cb -0.06 -3.55 -0.16 0.00 0.04 0.00 0.00 34.50 30.77 1j0g s PRO 85 CO 0.11 -0.45 0.18 0.54 0.04 0.00 0.00 177.00 177.42 1j0g n ARG 86 N 5.15 0.02 -0.10 4.56 5.12 -1.04 -4.84 116.66 125.54 1j0g n ARG 86 Ca 0.11 0.01 -0.20 0.00 -1.93 0.00 0.00 57.85 55.84 1j0g n ARG 86 Cb 0.46 -1.02 -0.11 0.00 -1.16 0.00 0.00 32.46 30.63 1j0g n ARG 86 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1j0g h ASP 87 N 0.45 0.00 -6.56 0.55 5.19 -1.93 -3.47 116.42 110.65 1j0g h ASP 87 Ca -0.35 -0.52 -0.46 0.00 -0.62 0.00 0.00 57.03 55.08 1j0g h ASP 87 Cb 1.44 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.97 1j0g h ASP 87 CO 0.49 1.40 -0.93 0.54 -3.12 0.00 0.00 179.24 177.62 1j0g n ARG 88 N -4.46 -1.10 -0.02 3.56 5.12 -1.26 -4.90 116.66 113.60 1j0g n ARG 88 Ca -0.29 0.59 -0.03 0.00 -1.93 0.00 0.00 57.85 56.19 1j0g n ARG 88 Cb 0.64 -3.06 -0.02 0.00 -1.16 0.00 0.00 32.46 28.86 1j0g n ARG 88 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 1j0g n VAL 89 N -3.49 0.24 -3.60 1.55 3.14 -1.26 -5.09 118.33 109.81 1j0g n VAL 89 Ca -0.19 -0.08 -0.09 0.00 -2.96 0.00 0.00 64.34 61.01 1j0g n VAL 89 Cb 0.62 -0.84 -0.06 0.00 -1.06 0.00 0.00 33.84 32.50 1j0g n VAL 89 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1j0g s GLY 90 N -4.55 -0.20 -0.10 7.55 0.00 -1.26 -5.09 107.32 103.68 1j0g s GLY 90 Ca -0.06 2.28 -0.11 0.00 0.00 0.00 0.00 44.72 46.83 1j0g s GLY 90 CO 0.09 1.26 -0.23 1.44 0.00 0.00 0.00 173.10 175.66 1j0g n SER 91 N 1.10 1.58 0.00 1.64 7.64 -1.26 -5.16 113.62 119.16 1j0g n SER 91 Ca -0.10 0.25 0.15 0.00 1.01 0.00 0.00 58.87 60.18 1j0g n SER 91 Cb 0.57 -0.59 0.87 0.00 -1.01 0.00 0.00 64.21 64.06 1j0g n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03