#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n6j h ARG 3 N 0.00 0.37 -4.48 1.61 2.47 -2.12 -3.41 114.38 108.82 1n6j h ARG 3 Ca 0.00 -0.02 -0.26 0.00 -1.26 0.00 0.00 59.98 58.43 1n6j h ARG 3 Cb 0.00 -0.08 -0.22 0.00 -1.65 0.00 0.00 29.97 28.02 1n6j h ARG 3 CO 0.00 0.25 -0.73 0.21 0.56 0.00 0.00 179.97 180.26 1n6j s LYS 4 N -5.39 0.49 0.05 0.04 2.20 -1.26 -5.13 119.74 110.75 1n6j s LYS 4 Ca -0.08 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.52 1n6j s LYS 4 Cb 0.22 -0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 36.24 1n6j s LYS 4 CO 0.77 0.04 1.04 0.21 -0.36 0.00 0.00 175.35 177.06 1n6j s LYS 5 N -1.50 4.55 -0.05 4.03 2.20 -1.26 -5.04 119.74 122.67 1n6j s LYS 5 Ca -0.10 1.54 -0.01 0.00 -0.36 0.00 0.00 55.97 57.05 1n6j s LYS 5 Cb -0.10 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1n6j s LYS 5 CO 0.00 -0.05 0.00 0.96 -0.36 0.00 0.00 175.35 175.91 1n6j s ILE 6 N 0.74 4.26 0.58 5.43 -4.36 -1.26 -5.10 121.20 121.49 1n6j s ILE 6 Ca 0.53 -0.38 -0.16 0.00 -0.26 0.00 0.00 60.65 60.38 1n6j s ILE 6 Cb -0.24 -2.83 -0.05 0.00 1.25 0.00 0.00 42.46 40.59 1n6j s ILE 6 CO 0.29 0.52 1.04 -1.10 0.24 0.00 0.00 174.94 175.94 1n6j s GLN 7 N -1.14 3.45 -0.96 0.37 -1.52 -1.26 -4.96 119.66 113.64 1n6j s GLN 7 Ca 0.16 1.16 -0.17 0.00 -1.95 0.00 0.00 55.36 54.55 1n6j s GLN 7 Cb -0.11 -2.05 0.15 0.00 -0.22 0.00 0.00 33.01 30.77 1n6j s GLN 7 CO 0.05 -0.70 1.14 0.42 -0.25 0.00 0.00 175.29 175.95 1n6j s ILE 8 N -2.48 4.86 0.07 1.08 -1.09 -1.26 -4.92 121.20 117.47 1n6j s ILE 8 Ca 0.63 -1.83 -0.21 0.00 -2.23 0.00 0.00 60.65 57.01 1n6j s ILE 8 Cb -0.15 -4.77 0.05 0.00 -1.58 0.00 0.00 42.46 36.01 1n6j s ILE 8 CO 0.35 -1.48 0.49 -0.94 -1.23 0.00 0.00 174.94 172.14 1n6j s SER 9 N 3.36 -0.40 0.03 3.58 1.04 -1.26 -5.12 113.70 114.93 1n6j s SER 9 Ca 0.33 0.07 -0.39 0.00 0.48 0.00 0.00 55.95 56.44 1n6j s SER 9 Cb -0.05 0.49 -0.19 0.00 0.10 0.00 0.00 66.02 66.37 1n6j s SER 9 CO -0.08 -0.75 1.15 -1.14 0.98 0.00 0.00 173.24 173.40 1n6j n ARG 10 N 0.27 0.36 -2.52 4.02 0.63 -1.26 -4.86 116.66 113.31 1n6j n ARG 10 Ca -0.18 0.13 -0.43 0.00 -0.92 0.00 0.00 57.85 56.46 1n6j n ARG 10 Cb 0.61 -1.67 -0.02 0.00 0.45 0.00 0.00 32.46 31.83 1n6j n ARG 10 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1n6j s ILE 11 N 0.13 4.42 0.05 5.15 1.01 -1.26 -4.94 121.20 125.76 1n6j s ILE 11 Ca 0.88 1.72 -0.20 0.00 0.00 0.00 0.00 60.65 63.06 1n6j s ILE 11 Cb -1.16 -4.11 -0.13 0.00 0.01 0.00 0.00 42.46 37.07 1n6j s ILE 11 CO 0.54 -0.08 1.40 -0.07 0.00 0.00 0.00 174.94 176.73 1n6j h LEU 12 N 8.92 0.37 -9.16 2.97 3.38 -2.00 -3.44 115.31 116.34 1n6j h LEU 12 Ca -0.28 -0.42 -0.56 0.00 0.09 0.00 0.00 57.88 56.71 1n6j h LEU 12 Cb 1.12 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1n6j h LEU 12 CO 0.93 0.70 1.01 -0.62 0.09 0.00 0.00 178.44 180.54 1n6j s ASP 13 N -6.02 6.74 0.26 -0.43 2.15 -1.26 -4.92 116.67 113.19 1n6j s ASP 13 Ca -0.14 1.85 -0.02 0.00 0.43 0.00 0.00 52.55 54.67 1n6j s ASP 13 Cb 0.06 -2.54 0.48 0.00 -0.30 0.00 0.00 42.92 40.62 1n6j s ASP 13 CO 0.74 -0.92 1.79 -0.61 -0.17 0.00 0.00 175.17 176.01 1n6j h GLN 14 N 9.14 0.73 -0.26 4.34 4.15 -1.99 0.28 115.11 131.50 1n6j h GLN 14 Ca -0.32 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.02 1n6j h GLN 14 Cb 1.14 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 1n6j h GLN 14 CO 0.97 0.48 0.03 0.00 -1.93 0.00 0.00 178.83 178.39 1n6j h ARG 15 N 0.75 0.43 -0.13 1.69 3.08 -1.98 -2.12 114.38 116.10 1n6j h ARG 15 Ca 0.44 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 60.25 1n6j h ARG 15 Cb 0.50 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1n6j h ARG 15 CO -0.30 0.57 -0.44 -0.91 -1.07 0.00 0.00 179.97 177.82 1n6j h ASN 16 N 0.23 0.32 -0.41 7.04 2.35 -1.88 -1.96 115.58 121.27 1n6j h ASN 16 Ca 0.08 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 1n6j h ASN 16 Cb 0.35 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1n6j h ASN 16 CO 0.01 0.73 0.07 -0.09 -1.65 0.00 0.00 177.43 176.49 1n6j h ARG 17 N 0.25 0.68 -0.16 0.81 2.43 -0.85 -0.62 114.38 116.92 1n6j h ARG 17 Ca 0.02 -0.18 -0.10 0.00 -0.81 0.00 0.00 59.98 58.90 1n6j h ARG 17 Cb 0.88 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 1n6j h ARG 17 CO 0.07 0.72 -0.36 0.37 -1.51 0.00 0.00 179.97 179.27 1n6j h GLN 18 N 0.54 0.34 -0.10 0.20 5.75 -1.24 -0.86 115.11 119.73 1n6j h GLN 18 Ca 0.13 -0.15 -0.11 0.00 -0.15 0.00 0.00 58.65 58.37 1n6j h GLN 18 Cb 0.37 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.92 1n6j h GLN 18 CO 0.01 0.66 -0.36 0.28 -2.65 0.00 0.00 178.83 176.77 1n6j h VAL 19 N 0.29 1.39 -0.57 2.39 2.07 -1.17 -2.55 116.25 118.10 1n6j h VAL 19 Ca 0.03 -1.70 -0.04 0.00 0.82 0.00 0.00 66.70 65.82 1n6j h VAL 19 Cb 0.77 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 1n6j h VAL 19 CO 0.06 0.50 0.20 0.74 0.02 0.00 0.00 177.57 179.09 1n6j h THR 20 N -0.02 1.21 0.14 2.57 2.02 -1.05 -2.36 112.91 115.42 1n6j h THR 20 Ca -0.02 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 1n6j h THR 20 Cb 0.99 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1n6j h THR 20 CO 0.08 0.27 -0.08 0.15 0.37 0.00 0.00 175.52 176.31 1n6j h PHE 21 N 0.82 -0.20 -0.69 3.16 3.57 -1.10 0.35 116.94 122.85 1n6j h PHE 21 Ca 0.19 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1n6j h PHE 21 Cb 0.20 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1n6j h PHE 21 CO 0.01 -0.12 0.45 1.15 -2.23 0.00 0.00 178.31 177.57 1n6j h THR 22 N -0.20 1.19 0.17 4.41 2.02 -1.25 -0.24 112.91 119.00 1n6j h THR 22 Ca -0.01 -0.36 -0.31 0.00 0.77 0.00 0.00 66.41 66.49 1n6j h THR 22 Cb 0.16 0.19 0.03 0.00 -1.74 0.00 0.00 68.15 66.79 1n6j h THR 22 CO 0.02 0.18 -1.33 0.07 0.37 0.00 0.00 175.52 174.83 1n6j h LYS 23 N 0.94 0.58 0.00 6.66 2.10 -1.32 -3.01 116.57 122.52 1n6j h LYS 23 Ca 0.25 -0.85 -0.09 0.00 -2.00 0.00 0.00 60.65 57.95 1n6j h LYS 23 Cb -0.08 0.30 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 1n6j h LYS 23 CO -0.05 1.40 -0.45 0.00 -2.00 0.00 0.00 179.45 178.35 1n6j h ARG 24 N 0.22 0.00 -0.41 0.07 3.08 -0.91 -1.25 114.38 115.18 1n6j h ARG 24 Ca -0.21 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 1n6j h ARG 24 Cb 2.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.05 1n6j h ARG 24 CO 0.25 0.45 0.15 -0.22 -1.07 0.00 0.00 179.97 179.53 1n6j h LYS 25 N 0.00 0.62 -0.53 0.04 3.64 -1.08 0.16 116.57 119.42 1n6j h LYS 25 Ca -0.00 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.17 1n6j h LYS 25 Cb 0.83 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1n6j h LYS 25 CO 0.06 0.60 -0.00 0.35 -2.27 0.00 0.00 179.45 178.18 1n6j h PHE 26 N 0.52 1.03 -0.97 1.91 3.57 -1.36 -1.77 116.94 119.88 1n6j h PHE 26 Ca 0.14 -0.18 0.08 0.00 3.53 0.00 0.00 57.97 61.54 1n6j h PHE 26 Cb 0.22 -0.27 -0.07 0.00 2.79 0.00 0.00 35.95 38.62 1n6j h PHE 26 CO 0.00 0.94 0.62 0.78 -2.23 0.00 0.00 178.31 178.43 1n6j h GLY 27 N 0.82 1.47 0.83 2.40 0.00 -0.85 0.26 103.07 108.00 1n6j h GLY 27 Ca 0.15 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 1n6j h GLY 27 CO 0.03 0.27 -0.25 -2.00 0.00 0.00 0.00 176.54 174.59 1n6j h LEU 28 N 1.06 0.53 -0.53 3.11 5.85 -0.70 -1.73 115.31 122.91 1n6j h LEU 28 Ca 0.43 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1n6j h LEU 28 Cb 0.28 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1n6j h LEU 28 CO -0.19 0.94 0.14 0.24 -0.34 0.00 0.00 178.44 179.24 1n6j h MET 29 N 0.14 0.84 -0.53 1.25 2.86 -0.77 -0.69 114.93 118.03 1n6j h MET 29 Ca 0.02 -0.20 0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1n6j h MET 29 Cb 0.82 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.31 1n6j h MET 29 CO 0.06 0.79 0.25 -0.22 1.06 0.00 0.00 176.91 178.85 1n6j h LYS 30 N 0.74 0.46 0.00 1.72 3.64 -0.43 0.10 116.57 122.80 1n6j h LYS 30 Ca 0.17 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1n6j h LYS 30 Cb 0.32 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1n6j h LYS 30 CO -0.00 0.31 -0.30 0.87 -2.27 0.00 0.00 179.45 178.05 1n6j h LYS 31 N 0.48 0.00 -0.26 1.90 1.57 -0.99 -1.62 116.57 117.65 1n6j h LYS 31 Ca 0.24 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.86 1n6j h LYS 31 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1n6j h LYS 31 CO -0.19 0.30 -0.49 0.00 -0.57 0.00 0.00 179.45 178.50 1n6j h ALA 32 N 1.70 0.40 0.38 3.86 0.00 0.45 -1.44 119.26 124.61 1n6j h ALA 32 Ca -0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1n6j h ALA 32 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1n6j h ALA 32 CO 0.04 0.58 -0.20 -0.92 0.00 0.00 0.00 179.25 178.75 1n6j h TYR 33 N 0.53 -0.52 -0.67 0.00 3.20 -0.54 -0.61 116.97 118.37 1n6j h TYR 33 Ca 0.01 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.94 1n6j h TYR 33 Cb 1.10 0.18 -0.06 0.00 1.54 0.00 0.00 36.73 39.48 1n6j h TYR 33 CO 0.08 -0.32 0.36 0.93 -1.64 0.00 0.00 178.16 177.58 1n6j h GLU 34 N -0.54 0.64 -0.74 1.82 5.08 -1.29 -1.54 114.58 118.01 1n6j h GLU 34 Ca -0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1n6j h GLU 34 Cb 0.42 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1n6j h GLU 34 CO 0.07 0.43 0.42 1.25 -1.00 0.00 0.00 179.01 180.18 1n6j h LEU 35 N 0.66 0.91 -0.90 1.33 5.85 -1.01 0.87 115.31 123.03 1n6j h LEU 35 Ca 0.31 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 1n6j h LEU 35 Cb 0.22 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1n6j h LEU 35 CO -0.20 0.73 0.08 0.77 -0.34 0.00 0.00 178.44 179.49 1n6j h SER 36 N 1.02 0.85 0.00 1.25 4.64 -0.18 -1.79 113.55 119.35 1n6j h SER 36 Ca 0.26 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1n6j h SER 36 Cb 0.01 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1n6j h SER 36 CO -0.05 0.86 -0.00 0.58 -0.87 0.00 0.00 176.83 177.36 1n6j h VAL 37 N 0.85 1.68 -0.83 0.95 2.07 -1.13 -1.74 116.25 118.09 1n6j h VAL 37 Ca 0.17 -2.00 0.01 0.00 0.82 0.00 0.00 66.70 65.71 1n6j h VAL 37 Cb 0.39 3.04 -0.04 0.00 -1.52 0.00 0.00 31.29 33.15 1n6j h VAL 37 CO 0.01 0.52 0.54 -0.07 0.02 0.00 0.00 177.57 178.59 1n6j h LEU 38 N -0.85 0.93 -2.76 2.57 3.38 -0.84 -3.19 115.31 114.56 1n6j h LEU 38 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1n6j h LEU 38 Cb 0.85 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1n6j h LEU 38 CO 0.00 0.67 0.00 0.00 0.09 0.00 0.00 178.44 179.20 1n6j n ASP 40 N 0.50 -5.63 -4.37 0.00 2.03 -0.71 -5.02 116.55 103.35 1n6j n ASP 40 Ca 0.11 -0.88 -0.19 0.00 0.52 0.00 0.00 54.79 54.36 1n6j n ASP 40 Cb 0.41 -4.19 -0.10 0.00 -0.72 0.00 0.00 41.12 36.51 1n6j n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n6j s GLU 42 N -3.80 3.75 -0.01 0.00 2.12 -1.26 -4.56 118.70 114.94 1n6j s GLU 42 Ca 0.28 -0.46 0.05 0.00 0.36 0.00 0.00 54.97 55.20 1n6j s GLU 42 Cb 0.05 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.31 1n6j s GLU 42 CO 0.10 0.12 -0.17 0.42 -0.54 0.00 0.00 175.26 175.19 1n6j s ILE 43 N 0.74 1.34 -0.02 -3.70 1.01 -1.26 -5.01 121.20 114.30 1n6j s ILE 43 Ca 0.01 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1n6j s ILE 43 Cb -0.14 -1.12 -0.00 0.00 0.01 0.00 0.00 42.46 41.21 1n6j s ILE 43 CO 0.02 0.36 -0.12 0.00 0.00 0.00 0.00 174.94 175.20 1n6j s ALA 44 N -0.42 1.08 -0.07 9.38 0.00 -1.26 -0.23 121.76 130.24 1n6j s ALA 44 Ca 0.06 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.54 1n6j s ALA 44 Cb -0.07 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1n6j s ALA 44 CO -0.01 0.22 -0.10 -1.17 0.00 0.00 0.00 175.76 174.71 1n6j s LEU 45 N -0.07 1.52 -0.11 0.00 2.96 0.17 -4.99 118.68 118.16 1n6j s LEU 45 Ca 0.01 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 1n6j s LEU 45 Cb -0.07 -0.74 0.02 0.00 0.50 0.00 0.00 46.19 45.89 1n6j s LEU 45 CO 0.00 -0.00 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.25 1n6j s ILE 46 N 0.83 1.48 -0.07 6.68 1.01 -1.26 -1.19 121.20 128.68 1n6j s ILE 46 Ca -0.12 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 59.91 1n6j s ILE 46 Cb -0.15 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 40.98 1n6j s ILE 46 CO 0.02 0.44 -0.09 -0.63 0.00 0.00 0.00 174.94 174.67 1n6j s ILE 47 N 1.02 0.96 -0.19 2.92 1.01 0.28 -5.02 121.20 122.19 1n6j s ILE 47 Ca -0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 1n6j s ILE 47 Cb -0.15 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 1n6j s ILE 47 CO -0.02 0.33 -0.08 -0.36 0.00 0.00 0.00 174.94 174.81 1n6j s PHE 48 N 1.01 2.91 0.95 3.97 0.40 -1.26 -0.45 117.98 125.50 1n6j s PHE 48 Ca -0.09 -0.92 -0.14 0.00 -0.60 0.00 0.00 56.93 55.19 1n6j s PHE 48 Cb -0.15 -2.02 0.21 0.00 0.51 0.00 0.00 43.02 41.57 1n6j s PHE 48 CO -0.00 -0.48 1.29 0.54 0.70 0.00 0.00 175.22 177.27 1n6j s ASN 49 N 1.17 3.11 0.59 1.36 2.20 -0.72 -4.86 114.94 117.79 1n6j s ASN 49 Ca 0.02 0.08 0.29 0.00 -0.94 0.00 0.00 52.86 52.31 1n6j s ASN 49 Cb -0.14 -0.10 1.65 0.00 -2.00 0.00 0.00 41.25 40.65 1n6j s ASN 49 CO -0.02 -2.72 2.08 0.77 -2.94 0.00 0.00 177.10 174.27 1n6j h SER 50 N -1.55 0.00 -0.47 3.54 4.64 -2.00 0.10 113.55 117.81 1n6j h SER 50 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1n6j h SER 50 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1n6j h SER 50 CO 0.34 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.30 1n6j n ALA 51 N -2.32 3.10 -1.97 5.18 0.00 -1.26 -4.92 120.51 118.31 1n6j n ALA 51 Ca 0.02 -1.23 -0.19 0.00 0.00 0.00 0.00 53.44 52.03 1n6j n ALA 51 Cb 0.35 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 1n6j n ALA 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n6j n ASN 52 N 0.71 -5.45 -4.79 0.00 4.13 0.36 -4.98 115.26 105.24 1n6j n ASN 52 Ca 0.20 0.22 -0.39 0.00 1.68 0.00 0.00 54.58 56.29 1n6j n ASN 52 Cb 0.76 -4.57 -0.06 0.00 -1.54 0.00 0.00 39.78 34.37 1n6j n ASN 52 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1n6j s ARG 53 N -4.32 4.44 -0.22 3.52 3.52 -1.26 -4.82 118.95 119.81 1n6j s ARG 53 Ca 0.00 1.01 -0.14 0.00 -0.13 0.00 0.00 55.73 56.46 1n6j s ARG 53 Cb 0.00 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 1n6j s ARG 53 CO 0.00 0.57 0.34 -1.17 -0.81 0.00 0.00 175.30 174.23 1n6j s LEU 54 N -1.04 4.13 -0.08 -0.88 2.96 -1.26 -1.76 118.68 120.74 1n6j s LEU 54 Ca 0.34 0.39 0.04 0.00 -0.22 0.00 0.00 54.13 54.67 1n6j s LEU 54 Cb -0.22 -2.40 0.00 0.00 0.50 0.00 0.00 46.19 44.07 1n6j s LEU 54 CO 0.23 -0.05 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.63 1n6j s PHE 55 N 1.34 2.30 0.08 5.38 0.40 0.40 -5.01 117.98 122.87 1n6j s PHE 55 Ca 0.16 -0.87 0.01 0.00 -0.60 0.00 0.00 56.93 55.62 1n6j s PHE 55 Cb -0.15 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1n6j s PHE 55 CO 0.07 -0.35 -0.06 1.14 0.70 0.00 0.00 175.22 176.73 1n6j s GLN 56 N 0.29 0.75 -0.06 0.44 -2.07 -1.26 -0.55 119.66 117.20 1n6j s GLN 56 Ca -0.15 -1.28 -0.08 0.00 -1.82 0.00 0.00 55.36 52.04 1n6j s GLN 56 Cb -0.16 -0.08 0.02 0.00 -1.09 0.00 0.00 33.01 31.69 1n6j s GLN 56 CO 0.07 -0.04 0.20 -0.47 -1.32 0.00 0.00 175.29 173.73 1n6j s TYR 57 N -3.62 -0.18 -0.08 9.60 5.04 -0.33 -5.00 117.35 122.78 1n6j s TYR 57 Ca 0.09 0.44 -0.05 0.00 -2.44 0.00 0.00 57.07 55.12 1n6j s TYR 57 Cb 0.05 0.06 0.04 0.00 0.35 0.00 0.00 41.96 42.46 1n6j s TYR 57 CO -0.06 -0.15 0.19 0.00 -1.34 0.00 0.00 175.55 174.19 1n6j s ALA 58 N -0.19 -0.42 0.16 3.97 0.00 -1.26 0.42 121.76 124.43 1n6j s ALA 58 Ca -0.03 0.78 -0.16 0.00 0.00 0.00 0.00 51.96 52.55 1n6j s ALA 58 Cb -0.03 -0.50 0.05 0.00 0.00 0.00 0.00 23.12 22.64 1n6j s ALA 58 CO 0.01 -0.16 1.80 0.66 0.00 0.00 0.00 175.76 178.07 1n6j h SER 59 N 6.94 0.39 0.00 0.00 4.64 -1.00 -3.41 113.55 121.12 1n6j h SER 59 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1n6j h SER 59 Cb 1.16 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1n6j h SER 59 CO 0.40 0.28 0.00 0.35 -0.87 0.00 0.00 176.83 176.99 1n6j n THR 60 N -4.86 0.00 -3.70 2.95 -2.24 -1.26 -5.02 114.28 100.15 1n6j n THR 60 Ca 0.01 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.65 1n6j n THR 60 Cb 0.06 -0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 67.34 1n6j n THR 60 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n6j s ASP 61 N -0.94 0.16 0.21 3.42 2.15 -1.26 -5.06 116.67 115.35 1n6j s ASP 61 Ca 0.00 0.44 -0.09 0.00 0.43 0.00 0.00 52.55 53.33 1n6j s ASP 61 Cb 0.00 0.38 0.30 0.00 -0.30 0.00 0.00 42.92 43.30 1n6j s ASP 61 CO 0.00 -0.20 1.74 -0.03 -0.17 0.00 0.00 175.17 176.52 1n6j h MET 62 N 7.74 0.41 -0.43 4.34 1.85 -1.93 -1.67 114.93 125.24 1n6j h MET 62 Ca -0.29 -0.02 0.07 0.00 -0.61 0.00 0.00 59.70 58.85 1n6j h MET 62 Cb 1.13 -0.09 -0.06 0.00 0.43 0.00 0.00 31.60 33.01 1n6j h MET 62 CO 0.28 0.27 0.09 0.22 -0.40 0.00 0.00 176.91 177.36 1n6j h ASP 63 N 0.42 0.02 0.13 1.39 1.82 -1.99 -0.91 116.42 117.29 1n6j h ASP 63 Ca 0.32 0.07 0.01 0.00 -0.39 0.00 0.00 57.03 57.04 1n6j h ASP 63 Cb 0.40 0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 1n6j h ASP 63 CO -0.32 0.04 -0.15 -0.09 -1.61 0.00 0.00 179.24 177.11 1n6j h ARG 64 N 0.22 -0.31 -0.33 0.28 2.43 -1.77 -1.27 114.38 113.64 1n6j h ARG 64 Ca 0.21 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1n6j h ARG 64 Cb 0.25 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1n6j h ARG 64 CO -0.27 -0.21 0.14 0.28 -1.51 0.00 0.00 179.97 178.40 1n6j h VAL 65 N -0.32 1.18 -0.26 0.20 2.07 -1.01 -2.22 116.25 115.89 1n6j h VAL 65 Ca 0.01 -0.54 -0.12 0.00 0.82 0.00 0.00 66.70 66.88 1n6j h VAL 65 Cb 0.32 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1n6j h VAL 65 CO -0.06 0.19 -0.34 -0.07 0.02 0.00 0.00 177.57 177.31 1n6j h LEU 66 N 0.38 0.59 -0.30 2.57 3.38 -1.12 -1.47 115.31 119.33 1n6j h LEU 66 Ca 0.11 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1n6j h LEU 66 Cb 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1n6j h LEU 66 CO -0.01 0.88 0.19 -0.07 0.09 0.00 0.00 178.44 179.52 1n6j h LEU 67 N 0.48 0.32 -1.18 1.67 3.38 -1.15 -1.73 115.31 117.10 1n6j h LEU 67 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1n6j h LEU 67 Cb 0.82 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1n6j h LEU 67 CO 0.07 0.23 0.49 0.50 0.09 0.00 0.00 178.44 179.82 1n6j h LYS 68 N 0.39 1.05 -0.94 1.13 3.64 -1.20 -2.22 116.57 118.42 1n6j h LYS 68 Ca 0.12 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1n6j h LYS 68 Cb -0.03 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.52 1n6j h LYS 68 CO -0.04 0.72 0.62 -0.92 -2.27 0.00 0.00 179.45 177.56 1n6j h TYR 69 N 1.07 1.17 0.00 1.91 3.20 -0.42 -1.38 116.97 122.52 1n6j h TYR 69 Ca 0.28 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1n6j h TYR 69 Cb -0.08 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 37.80 1n6j h TYR 69 CO 0.00 0.72 0.00 1.79 -1.64 0.00 0.00 178.16 179.03 1n6j h THR 70 N 1.25 0.00 0.00 1.81 1.35 -0.72 -1.76 112.91 114.83 1n6j h THR 70 Ca 0.35 -0.06 -0.02 0.00 -0.55 0.00 0.00 66.41 66.14 1n6j h THR 70 Cb -0.10 0.68 -0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1n6j h THR 70 CO -0.09 0.00 -0.07 -0.33 -0.25 0.00 0.00 175.52 174.78 1n6j h GLU 71 N 0.00 0.00 -6.20 4.72 5.08 -1.26 -3.45 114.58 113.46 1n6j h GLU 71 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 1n6j h GLU 71 Cb 0.08 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 1n6j h GLU 71 CO 0.00 0.07 0.00 0.71 -1.00 0.00 0.00 179.01 178.79 1n6j s TYR 72 N -3.23 3.76 0.13 4.33 1.51 -0.67 -4.97 117.35 118.23 1n6j s TYR 72 Ca 0.06 1.28 0.05 0.00 -1.01 0.00 0.00 57.07 57.45 1n6j s TYR 72 Cb 0.06 -2.58 -0.14 0.00 -0.11 0.00 0.00 41.96 39.19 1n6j s TYR 72 CO 0.67 0.47 1.30 0.66 -1.11 0.00 0.00 175.55 177.54 1n6j h SER 73 N 5.02 0.09 -4.79 2.29 4.64 -1.88 -3.47 113.55 115.45 1n6j h SER 73 Ca -0.47 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1n6j h SER 73 Cb 1.21 -0.03 -0.17 0.00 -0.31 0.00 0.00 62.40 63.10 1n6j h SER 73 CO 0.66 1.02 0.31 -1.83 -0.87 0.00 0.00 176.83 176.12 1n6j s GLU 74 N -2.85 1.00 0.53 4.77 -1.05 -1.26 -5.17 118.70 114.67 1n6j s GLU 74 Ca -0.00 -0.06 -0.13 0.00 -0.15 0.00 0.00 54.97 54.63 1n6j s GLU 74 Cb 0.10 0.47 -0.06 0.00 -0.44 0.00 0.00 34.13 34.19 1n6j s GLU 74 CO 0.82 -0.37 0.95 -1.25 0.95 0.00 0.00 175.26 176.36 1n6j s PRO 75 N -2.22 3.78 0.26 -4.83 0.04 -1.26 -4.97 135.00 125.81 1n6j s PRO 75 Ca -0.03 0.76 0.13 0.00 0.04 0.00 0.00 61.00 61.89 1n6j s PRO 75 Cb -0.01 -2.18 0.26 0.00 0.04 0.00 0.00 34.50 32.61 1n6j s PRO 75 CO -0.01 -0.32 1.54 1.25 0.04 0.00 0.00 177.00 179.49 1n6j h HIS 76 N 0.54 0.00 -3.08 0.56 2.76 -2.04 -3.43 115.15 110.46 1n6j h HIS 76 Ca -0.46 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.50 1n6j h HIS 76 Cb 1.19 0.00 -0.30 0.00 1.55 0.00 0.00 27.41 29.85 1n6j h HIS 76 CO 0.64 0.63 -0.51 -2.00 -1.30 0.00 0.00 177.93 175.38 1n6j s GLU 77 N -3.28 0.18 -0.08 5.26 2.12 -1.26 -5.14 118.70 116.49 1n6j s GLU 77 Ca 0.00 0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.84 1n6j s GLU 77 Cb 0.11 -0.14 0.02 0.00 0.26 0.00 0.00 34.13 34.38 1n6j s GLU 77 CO 0.75 -0.17 -0.09 0.45 -0.54 0.00 0.00 175.26 175.66 1n6j s SER 78 N 1.26 1.87 0.13 -1.70 0.15 -1.26 -5.14 113.70 109.02 1n6j s SER 78 Ca -0.09 -0.28 0.07 0.00 0.70 0.00 0.00 55.95 56.35 1n6j s SER 78 Cb -0.11 -0.79 -0.04 0.00 -1.71 0.00 0.00 66.02 63.37 1n6j s SER 78 CO -0.08 -0.05 -0.17 -0.60 1.20 0.00 0.00 173.24 173.55 1n6j s ARG 79 N 1.17 1.10 0.17 5.44 6.06 -1.26 -5.09 118.95 126.54 1n6j s ARG 79 Ca -0.05 -1.24 -0.01 0.00 -2.50 0.00 0.00 55.73 51.92 1n6j s ARG 79 Cb -0.14 -1.12 -0.04 0.00 0.06 0.00 0.00 34.95 33.71 1n6j s ARG 79 CO -0.02 0.23 0.11 -0.08 -2.50 0.00 0.00 175.30 173.04 1n6j s THR 80 N -1.81 0.05 0.25 4.11 -1.32 -1.26 -5.03 115.64 110.63 1n6j s THR 80 Ca 0.09 -1.93 -0.04 0.00 -1.21 0.00 0.00 61.69 58.60 1n6j s THR 80 Cb -0.07 -2.27 0.23 0.00 -1.51 0.00 0.00 72.50 68.88 1n6j s THR 80 CO 0.04 -0.22 1.70 0.78 -2.21 0.00 0.00 174.62 174.71 1n6j h ASN 81 N 2.73 0.11 -0.26 8.08 4.21 -2.01 -0.80 115.58 127.63 1n6j h ASN 81 Ca -0.35 0.13 0.06 0.00 1.21 0.00 0.00 56.30 57.35 1n6j h ASN 81 Cb 1.23 0.16 -0.07 0.00 -1.12 0.00 0.00 38.32 38.51 1n6j h ASN 81 CO 0.55 0.01 -0.20 0.74 -1.29 0.00 0.00 177.43 177.24 1n6j h THR 82 N 0.33 0.45 -0.76 2.81 2.02 -1.99 0.22 112.91 115.99 1n6j h THR 82 Ca 0.42 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.64 1n6j h THR 82 Cb 0.70 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 1n6j h THR 82 CO -0.47 0.00 0.48 0.44 0.37 0.00 0.00 175.52 176.33 1n6j h ASP 83 N -0.19 0.78 -0.44 4.18 3.32 -1.58 -1.26 116.42 121.22 1n6j h ASP 83 Ca 0.14 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 1n6j h ASP 83 Cb 0.41 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1n6j h ASP 83 CO -0.38 0.53 -0.25 0.40 -1.72 0.00 0.00 179.24 177.82 1n6j h ILE 84 N 0.92 1.27 -0.26 0.35 2.04 -0.69 -2.09 117.51 119.05 1n6j h ILE 84 Ca 0.31 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.76 1n6j h ILE 84 Cb 0.05 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1n6j h ILE 84 CO -0.12 0.48 0.17 0.25 0.00 0.00 0.00 178.15 178.92 1n6j h LEU 85 N 0.79 0.30 -0.62 1.44 6.46 -0.15 -1.40 115.31 122.13 1n6j h LEU 85 Ca 0.09 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1n6j h LEU 85 Cb 0.83 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.66 1n6j h LEU 85 CO 0.07 0.23 0.34 -0.33 -0.62 0.00 0.00 178.44 178.14 1n6j h GLU 86 N 0.34 0.87 -0.30 1.25 4.39 -1.19 0.16 114.58 120.09 1n6j h GLU 86 Ca 0.09 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1n6j h GLU 86 Cb -0.02 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 1n6j h GLU 86 CO -0.02 0.66 0.10 1.15 -1.16 0.00 0.00 179.01 179.74 1n6j h THR 87 N 0.85 1.13 0.01 1.13 2.02 -1.07 -2.31 112.91 114.66 1n6j h THR 87 Ca 0.22 -0.42 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 1n6j h THR 87 Cb 0.04 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1n6j h THR 87 CO -0.04 0.15 -0.22 -0.07 0.37 0.00 0.00 175.52 175.72 1n6j h LEU 88 N 0.42 0.18 0.14 2.58 3.38 -0.44 -3.36 115.31 118.20 1n6j h LEU 88 Ca 0.10 -0.82 0.01 0.00 0.09 0.00 0.00 57.88 57.26 1n6j h LEU 88 Cb 0.11 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1n6j h LEU 88 CO -0.01 0.98 -0.46 0.11 0.09 0.00 0.00 178.44 179.15 1n6j h LYS 89 N -0.60 -0.65 -6.07 1.13 1.57 -0.52 -3.38 116.57 108.04 1n6j h LYS 89 Ca -0.03 0.04 -0.56 0.00 -1.87 0.00 0.00 60.65 58.23 1n6j h LYS 89 Cb 1.02 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.42 1n6j h LYS 89 CO 0.04 -0.43 0.22 -0.98 -0.57 0.00 0.00 179.45 177.73 1n6j s ARG 90 N -5.39 4.42 0.00 3.15 1.70 -0.89 -5.11 118.95 116.84 1n6j s ARG 90 Ca -0.14 1.01 0.00 0.00 -0.47 0.00 0.00 55.73 56.13 1n6j s ARG 90 Cb 0.05 -3.49 0.00 0.00 -0.57 0.00 0.00 34.95 30.94 1n6j s ARG 90 CO 0.52 -0.07 0.00 0.54 -1.08 0.00 0.00 175.30 175.21