#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rj4 h LEU 3 N 0.00 1.02 -0.05 1.20 5.85 -1.96 -2.53 115.31 118.84 1rj4 h LEU 3 Ca 0.00 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 1rj4 h LEU 3 Cb 0.00 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 1rj4 h LEU 3 CO 0.00 1.09 0.03 0.58 -0.34 0.00 0.00 178.44 179.80 1rj4 h VAL 4 N 0.93 1.05 -0.31 1.05 2.07 -1.95 0.23 116.25 119.33 1rj4 h VAL 4 Ca 0.16 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1rj4 h VAL 4 Cb 0.60 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1rj4 h VAL 4 CO 0.04 0.05 0.16 -0.08 0.02 0.00 0.00 177.57 177.76 1rj4 h GLU 5 N 0.02 0.43 -0.63 1.57 4.81 -2.00 -0.88 114.58 117.90 1rj4 h GLU 5 Ca 0.02 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1rj4 h GLU 5 Cb 0.05 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1rj4 h GLU 5 CO -0.00 0.37 0.12 1.15 -0.73 0.00 0.00 179.01 179.93 1rj4 h THR 6 N 0.37 1.26 -0.12 0.32 2.02 -1.29 -2.53 112.91 112.94 1rj4 h THR 6 Ca 0.11 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1rj4 h THR 6 Cb 0.07 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1rj4 h THR 6 CO -0.02 0.36 0.03 0.74 0.37 0.00 0.00 175.52 177.01 1rj4 h THR 7 N 0.94 1.18 -0.37 3.16 2.02 -0.36 -3.13 112.91 116.36 1rj4 h THR 7 Ca 0.19 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 1rj4 h THR 7 Cb 0.40 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1rj4 h THR 7 CO 0.01 0.17 0.09 0.00 0.37 0.00 0.00 175.52 176.16 1rj4 h LYS 9 N 0.52 0.00 -1.05 0.00 1.57 -1.40 -1.91 116.57 114.30 1rj4 h LYS 9 Ca 0.12 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.41 1rj4 h LYS 9 Cb 0.20 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.25 1rj4 h LYS 9 CO -0.00 0.06 0.64 -1.71 -0.57 0.00 0.00 179.45 177.86 1rj4 n ASN 10 N -3.44 4.98 -4.40 0.86 2.85 -0.02 -4.92 115.26 111.17 1rj4 n ASN 10 Ca -0.02 -3.46 -0.20 0.00 -0.11 0.00 0.00 54.58 50.79 1rj4 n ASN 10 Cb 0.19 -0.87 -0.10 0.00 1.24 0.00 0.00 39.78 40.24 1rj4 n ASN 10 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1rj4 s THR 11 N -3.32 1.03 -2.00 -0.44 -4.23 -0.72 -4.74 115.64 101.22 1rj4 s THR 11 Ca 0.52 -2.01 0.22 0.00 -1.18 0.00 0.00 61.69 59.24 1rj4 s THR 11 Cb 0.42 -2.69 0.63 0.00 1.34 0.00 0.00 72.50 72.20 1rj4 s THR 11 CO 0.06 -0.05 1.80 -0.81 -0.54 0.00 0.00 174.62 175.08 1rj4 n PRO 12 N -0.59 0.93 -3.07 3.99 -0.04 -1.26 -4.37 135.00 130.59 1rj4 n PRO 12 Ca -0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.31 1rj4 n PRO 12 Cb 0.66 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.71 1rj4 n PRO 12 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1rj4 s ASN 13 N -1.75 -0.15 0.16 3.54 3.84 -1.26 -5.04 114.94 114.27 1rj4 s ASN 13 Ca 0.33 -2.15 -0.25 0.00 0.21 0.00 0.00 52.86 50.99 1rj4 s ASN 13 Cb 0.15 0.93 0.02 0.00 -0.55 0.00 0.00 41.25 41.80 1rj4 s ASN 13 CO 0.25 -0.12 1.58 0.22 -2.79 0.00 0.00 177.10 176.24 1rj4 h TYR 14 N 5.55 -1.15 -0.72 0.43 3.20 -1.76 -0.60 116.97 121.92 1rj4 h TYR 14 Ca 0.13 0.07 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 1rj4 h TYR 14 Cb 1.04 0.57 -0.03 0.00 1.54 0.00 0.00 36.73 39.84 1rj4 h TYR 14 CO 0.18 -0.42 0.28 1.96 -1.64 0.00 0.00 178.16 178.52 1rj4 h GLN 15 N -0.29 1.08 -0.29 1.82 1.08 -1.96 -0.55 115.11 116.01 1rj4 h GLN 15 Ca 0.16 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1rj4 h GLN 15 Cb 0.57 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1rj4 h GLN 15 CO -0.58 0.89 0.06 1.25 -0.95 0.00 0.00 178.83 179.50 1rj4 h LEU 16 N 1.03 0.44 -0.08 1.46 5.85 -1.87 -1.37 115.31 120.77 1rj4 h LEU 16 Ca 0.24 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1rj4 h LEU 16 Cb 0.23 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1rj4 h LEU 16 CO -0.02 0.58 -0.08 0.00 -0.34 0.00 0.00 178.44 178.58 1rj4 h LEU 18 N -0.11 -0.23 -1.26 0.00 5.85 -0.95 0.29 115.31 118.91 1rj4 h LEU 18 Ca 0.06 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1rj4 h LEU 18 Cb 0.20 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1rj4 h LEU 18 CO -0.14 -0.11 0.23 0.11 -0.34 0.00 0.00 178.44 178.19 1rj4 h LYS 19 N -0.10 0.74 -0.03 1.25 1.57 -1.21 -0.12 116.57 118.68 1rj4 h LYS 19 Ca 0.05 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1rj4 h LYS 19 Cb 0.17 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1rj4 h LYS 19 CO -0.12 0.59 -0.10 1.15 -0.57 0.00 0.00 179.45 180.41 1rj4 h THR 20 N 0.74 1.46 -0.15 -0.16 2.02 -0.81 -2.93 112.91 113.09 1rj4 h THR 20 Ca 0.18 -1.51 -0.04 0.00 0.77 0.00 0.00 66.41 65.82 1rj4 h THR 20 Cb 0.11 2.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1rj4 h THR 20 CO -0.02 0.41 -0.05 -0.07 0.37 0.00 0.00 175.52 176.15 1rj4 h LEU 21 N -0.44 0.30 -0.59 2.58 3.38 -0.81 -3.00 115.31 116.72 1rj4 h LEU 21 Ca -0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1rj4 h LEU 21 Cb 0.71 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1rj4 h LEU 21 CO 0.02 0.62 0.00 0.18 0.09 0.00 0.00 178.44 179.35 1rj4 n LEU 22 N -4.68 0.48 -0.03 1.67 4.77 -0.07 -2.02 117.00 117.12 1rj4 n LEU 22 Ca -0.06 0.63 0.15 0.00 -0.03 0.00 0.00 56.01 56.70 1rj4 n LEU 22 Cb 0.28 -0.58 0.77 0.00 -2.33 0.00 0.00 43.42 41.55 1rj4 n LEU 22 CO 0.37 -0.53 1.01 -1.20 -1.33 0.00 0.00 177.39 175.71 1rj4 n SER 23 N -2.05 0.13 -4.20 -1.43 7.64 -1.10 -4.76 113.62 107.85 1rj4 n SER 23 Ca 0.02 -0.47 -0.32 0.00 1.01 0.00 0.00 58.87 59.11 1rj4 n SER 23 Cb 0.19 -0.17 -0.17 0.00 -1.01 0.00 0.00 64.21 63.05 1rj4 n SER 23 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1rj4 s ASP 24 N -2.40 3.11 0.38 6.43 2.15 -0.85 -5.02 116.67 120.47 1rj4 s ASP 24 Ca 0.34 -0.58 0.17 0.00 0.43 0.00 0.00 52.55 52.91 1rj4 s ASP 24 Cb 0.21 -1.43 1.09 0.00 -0.30 0.00 0.00 42.92 42.49 1rj4 s ASP 24 CO 0.44 0.12 1.75 0.11 -0.17 0.00 0.00 175.17 177.42 1rj4 h LYS 25 N 6.98 0.39 -0.01 4.34 1.57 -1.85 -1.25 116.57 126.74 1rj4 h LYS 25 Ca -0.25 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1rj4 h LYS 25 Cb 1.22 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 1rj4 h LYS 25 CO 0.51 0.26 0.05 0.00 -0.57 0.00 0.00 179.45 179.70 1rj4 h ARG 26 N 0.40 0.00 0.00 3.15 3.08 -1.95 -2.80 114.38 116.27 1rj4 h ARG 26 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.68 1rj4 h ARG 26 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.60 1rj4 h ARG 26 CO -0.35 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.21 1rj4 h SER 27 N 0.00 0.00 0.28 7.04 4.64 -1.43 -1.06 113.55 123.01 1rj4 h SER 27 Ca 0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1rj4 h SER 27 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1rj4 h SER 27 CO -0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 175.83 1rj4 h ALA 28 N 2.16 -0.37 0.00 5.18 0.00 -1.72 -3.37 119.26 121.14 1rj4 h ALA 28 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rj4 h ALA 28 Cb 0.30 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1rj4 h ALA 28 CO 0.00 -0.68 -1.26 0.25 0.00 0.00 0.00 179.25 177.56 1rj4 n THR 29 N -5.22 0.00 -1.50 0.00 -2.24 -1.20 -5.05 114.28 99.07 1rj4 n THR 29 Ca -0.10 -0.23 -0.38 0.00 -2.27 0.00 0.00 64.05 61.07 1rj4 n THR 29 Cb 0.19 0.41 0.04 0.00 -2.10 0.00 0.00 70.33 68.87 1rj4 n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rj4 n GLY 30 N 1.81 -1.26 0.84 3.38 0.00 -0.41 -5.03 105.19 104.53 1rj4 n GLY 30 Ca -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 1rj4 n GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rj4 n ASP 31 N 0.26 0.26 -0.17 1.61 5.68 -1.26 -4.82 116.55 118.11 1rj4 n ASP 31 Ca 0.12 -1.23 -0.03 0.00 -0.50 0.00 0.00 54.79 53.15 1rj4 n ASP 31 Cb 0.47 -0.15 0.07 0.00 -1.14 0.00 0.00 41.12 40.37 1rj4 n ASP 31 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1rj4 h ILE 32 N -0.51 0.86 -0.62 2.12 1.08 -1.97 -1.08 117.51 117.40 1rj4 h ILE 32 Ca -0.07 -0.14 0.07 0.00 -0.39 0.00 0.00 64.86 64.32 1rj4 h ILE 32 Cb 0.26 0.41 -0.06 0.00 -3.07 0.00 0.00 36.82 34.36 1rj4 h ILE 32 CO 0.08 0.08 0.31 0.74 -0.69 0.00 0.00 178.15 178.66 1rj4 h THR 33 N 0.42 0.91 -0.33 -0.27 2.02 -1.94 -0.61 112.91 113.11 1rj4 h THR 33 Ca 0.25 -0.20 -0.10 0.00 0.77 0.00 0.00 66.41 67.14 1rj4 h THR 33 Cb 0.24 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1rj4 h THR 33 CO -0.22 0.10 -0.20 0.74 0.37 0.00 0.00 175.52 176.31 1rj4 h THR 34 N 0.57 1.26 -0.56 3.16 2.02 -1.66 -1.44 112.91 116.26 1rj4 h THR 34 Ca 0.29 -1.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.13 1rj4 h THR 34 Cb 0.23 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1rj4 h THR 34 CO -0.21 0.41 -0.03 -0.07 0.37 0.00 0.00 175.52 175.98 1rj4 h LEU 35 N 0.56 0.99 -0.83 2.58 3.38 -0.39 -1.40 115.31 120.20 1rj4 h LEU 35 Ca 0.09 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1rj4 h LEU 35 Cb 0.65 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1rj4 h LEU 35 CO 0.05 1.06 0.45 0.00 0.09 0.00 0.00 178.44 180.09 1rj4 h ALA 36 N 1.04 1.06 -0.83 1.53 0.00 -0.88 -2.02 119.26 119.16 1rj4 h ALA 36 Ca 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1rj4 h ALA 36 Cb 0.58 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1rj4 h ALA 36 CO 0.03 0.58 0.44 -0.07 0.00 0.00 0.00 179.25 180.24 1rj4 h LEU 37 N 1.16 1.04 -0.83 0.00 3.38 -0.61 -0.02 115.31 119.43 1rj4 h LEU 37 Ca 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1rj4 h LEU 37 Cb 0.04 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1rj4 h LEU 37 CO -0.05 0.84 0.49 0.40 0.09 0.00 0.00 178.44 180.22 1rj4 h ILE 38 N 1.16 1.23 -0.44 1.22 2.04 -0.76 -1.15 117.51 120.81 1rj4 h ILE 38 Ca 0.29 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1rj4 h ILE 38 Cb 0.04 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 1rj4 h ILE 38 CO -0.05 0.25 0.13 -0.03 0.00 0.00 0.00 178.15 178.45 1rj4 h MET 39 N 1.14 0.69 -0.95 2.37 4.05 -0.75 -1.69 114.93 119.78 1rj4 h MET 39 Ca 0.30 -0.15 0.03 0.00 -0.28 0.00 0.00 59.70 59.59 1rj4 h MET 39 Cb -0.03 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 30.62 1rj4 h MET 39 CO -0.05 0.68 0.62 0.28 0.23 0.00 0.00 176.91 178.67 1rj4 h VAL 40 N 0.57 1.19 -0.16 -5.77 2.07 -0.55 0.42 116.25 114.02 1rj4 h VAL 40 Ca 0.14 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1rj4 h VAL 40 Cb 0.28 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1rj4 h VAL 40 CO -0.00 0.22 -0.08 0.44 0.02 0.00 0.00 177.57 178.17 1rj4 h ASP 41 N 1.23 0.23 -0.20 0.57 3.32 -0.75 0.22 116.42 121.05 1rj4 h ASP 41 Ca 0.37 -0.04 -0.19 0.00 0.02 0.00 0.00 57.03 57.19 1rj4 h ASP 41 Cb -0.05 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1rj4 h ASP 41 CO -0.11 0.35 -0.59 0.00 -1.72 0.00 0.00 179.24 177.18 1rj4 h ALA 42 N 1.68 0.49 -0.44 3.45 0.00 -0.07 -1.83 119.26 122.53 1rj4 h ALA 42 Ca 0.05 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1rj4 h ALA 42 Cb 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1rj4 h ALA 42 CO 0.01 0.69 -0.11 0.82 0.00 0.00 0.00 179.25 180.66 1rj4 h ILE 43 N 0.61 1.26 -0.75 0.00 2.04 -0.77 -2.19 117.51 117.70 1rj4 h ILE 43 Ca 0.00 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 1rj4 h ILE 43 Cb 1.19 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 1rj4 h ILE 43 CO 0.12 0.41 0.46 0.50 0.00 0.00 0.00 178.15 179.65 1rj4 h LYS 44 N 0.73 1.01 -0.11 2.37 3.64 -0.77 0.18 116.57 123.62 1rj4 h LYS 44 Ca 0.12 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1rj4 h LYS 44 Cb 0.61 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1rj4 h LYS 44 CO 0.04 0.70 0.07 0.00 -2.27 0.00 0.00 179.45 177.99 1rj4 h ALA 45 N 1.25 0.14 -0.62 5.00 0.00 -1.06 0.05 119.26 124.01 1rj4 h ALA 45 Ca 0.27 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1rj4 h ALA 45 Cb -0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1rj4 h ALA 45 CO -0.05 -0.34 0.18 0.87 0.00 0.00 0.00 179.25 179.90 1rj4 h LYS 46 N 0.11 0.98 -0.58 0.00 1.79 -1.09 -1.29 116.57 116.49 1rj4 h LYS 46 Ca 0.04 -0.22 -0.07 0.00 -2.18 0.00 0.00 60.65 58.22 1rj4 h LYS 46 Cb 0.03 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 1rj4 h LYS 46 CO -0.01 0.87 0.07 0.00 -1.08 0.00 0.00 179.45 179.31 1rj4 h ALA 47 N 1.06 1.03 -0.45 3.86 0.00 -0.83 0.63 119.26 124.56 1rj4 h ALA 47 Ca 0.20 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1rj4 h ALA 47 Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1rj4 h ALA 47 CO -0.00 0.61 0.09 -0.91 0.00 0.00 0.00 179.25 179.04 1rj4 h ASN 48 N 0.89 0.71 -0.82 0.00 2.35 -0.78 -0.50 115.58 117.42 1rj4 h ASN 48 Ca 0.18 -0.25 0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1rj4 h ASN 48 Cb 0.42 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.55 1rj4 h ASN 48 CO 0.01 0.78 0.51 -0.61 -1.65 0.00 0.00 177.43 176.47 1rj4 h GLN 49 N 0.61 0.90 -0.50 0.81 4.15 -0.63 -1.14 115.11 119.32 1rj4 h GLN 49 Ca 0.14 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1rj4 h GLN 49 Cb 0.36 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1rj4 h GLN 49 CO 0.01 0.60 0.31 0.00 -1.93 0.00 0.00 178.83 177.81 1rj4 h ALA 50 N 1.39 0.63 -0.61 3.38 0.00 -0.40 -1.44 119.26 122.20 1rj4 h ALA 50 Ca 0.35 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 1rj4 h ALA 50 Cb 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1rj4 h ALA 50 CO -0.16 0.11 0.11 0.00 0.00 0.00 0.00 179.25 179.30 1rj4 h ALA 51 N 1.16 1.03 -0.19 0.00 0.00 -0.29 -0.50 119.26 120.47 1rj4 h ALA 51 Ca 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1rj4 h ALA 51 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1rj4 h ALA 51 CO -0.04 0.62 0.05 0.28 0.00 0.00 0.00 179.25 180.17 1rj4 h VAL 52 N 0.93 1.19 -0.83 0.00 2.07 -1.01 -1.32 116.25 117.27 1rj4 h VAL 52 Ca 0.19 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1rj4 h VAL 52 Cb 0.39 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1rj4 h VAL 52 CO 0.01 0.19 0.40 0.74 0.02 0.00 0.00 177.57 178.93 1rj4 h THR 53 N 0.13 1.26 -0.23 2.57 2.02 -1.05 0.84 112.91 118.44 1rj4 h THR 53 Ca 0.06 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 1rj4 h THR 53 Cb 0.24 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1rj4 h THR 53 CO -0.00 0.31 0.05 0.40 0.37 0.00 0.00 175.52 176.65 1rj4 h ILE 54 N 1.18 1.21 -0.27 3.11 2.04 -1.00 -0.92 117.51 122.87 1rj4 h ILE 54 Ca 0.29 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1rj4 h ILE 54 Cb 0.12 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1rj4 h ILE 54 CO -0.04 0.22 0.13 -1.28 0.00 0.00 0.00 178.15 177.18 1rj4 h SER 55 N 0.19 0.35 -0.31 1.72 0.87 -0.92 -0.80 113.55 114.64 1rj4 h SER 55 Ca 0.07 -0.13 0.05 0.00 -1.23 0.00 0.00 61.79 60.56 1rj4 h SER 55 Cb 0.29 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.11 1rj4 h SER 55 CO 0.00 0.38 0.02 0.50 -0.53 0.00 0.00 176.83 177.20 1rj4 h LYS 56 N 0.30 0.12 -0.69 2.24 3.64 -0.73 -2.16 116.57 119.28 1rj4 h LYS 56 Ca 0.09 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1rj4 h LYS 56 Cb 0.12 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1rj4 h LYS 56 CO -0.01 0.08 0.23 -0.07 -2.27 0.00 0.00 179.45 177.41 1rj4 h LEU 57 N 0.12 0.98 -1.96 5.20 3.38 -0.98 -2.24 115.31 119.80 1rj4 h LEU 57 Ca 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1rj4 h LEU 57 Cb 0.19 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1rj4 h LEU 57 CO -0.23 0.90 -0.03 0.03 0.09 0.00 0.00 178.44 179.20 1rj4 h ARG 58 N 1.02 0.00 -0.69 1.13 3.08 -0.73 -1.77 114.38 116.42 1rj4 h ARG 58 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1rj4 h ARG 58 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1rj4 h ARG 58 CO -0.01 0.03 0.00 0.72 -1.07 0.00 0.00 179.97 179.64 1rj4 n HIS 59 N -3.18 1.00 -1.82 3.04 8.25 -0.85 -4.45 115.22 117.22 1rj4 n HIS 59 Ca -0.01 -0.48 -0.09 0.00 -0.26 0.00 0.00 57.72 56.88 1rj4 n HIS 59 Cb 0.23 -0.03 0.11 0.00 1.12 0.00 0.00 29.99 31.42 1rj4 n HIS 59 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1rj4 n SER 60 N 1.47 3.30 -3.71 0.41 7.64 -0.66 -5.00 113.62 117.07 1rj4 n SER 60 Ca 0.23 -3.82 -0.28 0.00 1.01 0.00 0.00 58.87 56.01 1rj4 n SER 60 Cb 0.62 -0.44 0.02 0.00 -1.01 0.00 0.00 64.21 63.41 1rj4 n SER 60 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1rj4 n ASN 61 N -0.91 -5.29 -4.74 6.43 4.05 -1.26 -4.93 115.26 108.61 1rj4 n ASN 61 Ca 0.31 -0.93 -0.29 0.00 0.45 0.00 0.00 54.58 54.12 1rj4 n ASN 61 Cb 0.83 -2.77 0.14 0.00 1.23 0.00 0.00 39.78 39.21 1rj4 n ASN 61 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1rj4 s PRO 62 N -5.56 1.06 0.66 1.20 0.04 -1.26 -4.97 135.00 126.17 1rj4 s PRO 62 Ca 0.27 0.51 -0.17 0.00 0.04 0.00 0.00 61.00 61.65 1rj4 s PRO 62 Cb -0.12 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 1rj4 s PRO 62 CO 0.88 -2.30 1.11 -0.35 0.04 0.00 0.00 177.00 176.38 1rj4 n PRO 63 N -3.88 0.85 -0.30 0.56 -0.04 -1.26 -4.84 135.00 126.09 1rj4 n PRO 63 Ca 0.06 0.34 0.07 0.00 -0.04 0.00 0.00 63.50 63.94 1rj4 n PRO 63 Cb 0.57 -2.35 0.28 0.00 -0.04 0.00 0.00 33.50 31.97 1rj4 n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rj4 h ALA 64 N 0.24 1.61 0.00 0.55 0.00 -2.03 -0.77 119.26 118.86 1rj4 h ALA 64 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1rj4 h ALA 64 Cb 1.34 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1rj4 h ALA 64 CO 0.50 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.96 1rj4 h ALA 65 N 1.55 1.00 0.00 0.00 0.00 -2.04 -2.67 119.26 117.10 1rj4 h ALA 65 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1rj4 h ALA 65 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1rj4 h ALA 65 CO -0.19 0.00 -1.33 0.91 0.00 0.00 0.00 179.25 178.64 1rj4 n TRP 66 N -2.73 0.17 -0.06 0.00 7.02 -0.30 -4.57 117.44 116.97 1rj4 n TRP 66 Ca -0.01 0.05 -0.08 0.00 -1.02 0.00 0.00 57.50 56.44 1rj4 n TRP 66 Cb 0.13 -0.40 -0.02 0.00 -2.42 0.00 0.00 31.31 28.60 1rj4 n TRP 66 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1rj4 h LYS 67 N 0.00 -0.01 0.38 -0.99 1.57 -1.44 -0.37 116.57 115.71 1rj4 h LYS 67 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1rj4 h LYS 67 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1rj4 h LYS 67 CO 0.00 -0.00 -0.18 0.78 -0.57 0.00 0.00 179.45 179.47 1rj4 h GLY 68 N -0.01 -0.54 0.37 3.86 0.00 -1.81 -2.28 103.07 102.67 1rj4 h GLY 68 Ca 0.12 0.20 0.14 0.00 0.00 0.00 0.00 47.33 47.79 1rj4 h GLY 68 CO -0.26 -0.19 0.63 -2.55 0.00 0.00 0.00 176.54 174.16 1rj4 h PRO 69 N -0.81 0.89 -0.36 4.80 0.11 -1.79 -0.98 132.00 133.87 1rj4 h PRO 69 Ca -0.05 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.02 1rj4 h PRO 69 Cb 0.53 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 1rj4 h PRO 69 CO 0.09 0.59 0.21 -0.07 -0.21 0.00 0.00 178.00 178.61 1rj4 h LEU 70 N 0.92 0.35 -0.43 2.35 3.38 -1.03 0.18 115.31 121.03 1rj4 h LEU 70 Ca 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.48 1rj4 h LEU 70 Cb 0.62 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1rj4 h LEU 70 CO -0.30 0.25 0.22 0.50 0.09 0.00 0.00 178.44 179.21 1rj4 h LYS 71 N 0.43 0.61 -0.09 1.13 3.64 -0.69 -0.85 116.57 120.74 1rj4 h LYS 71 Ca 0.14 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 59.29 1rj4 h LYS 71 Cb -0.01 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1rj4 h LYS 71 CO -0.06 0.50 -0.61 -0.91 -2.27 0.00 0.00 179.45 176.10 1rj4 h ASN 72 N 0.55 0.38 -0.32 4.20 2.35 -0.97 -2.53 115.58 119.24 1rj4 h ASN 72 Ca 0.15 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1rj4 h ASN 72 Cb 0.08 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1rj4 h ASN 72 CO -0.02 0.89 0.07 0.00 -1.65 0.00 0.00 177.43 176.73 1rj4 h ALA 74 N 1.49 1.23 -0.53 0.00 0.00 -0.72 -1.06 119.26 119.68 1rj4 h ALA 74 Ca 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1rj4 h ALA 74 Cb 0.26 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1rj4 h ALA 74 CO 0.00 0.66 0.08 0.74 0.00 0.00 0.00 179.25 180.73 1rj4 h PHE 75 N 1.33 0.93 -0.00 0.00 0.04 -1.26 -0.20 116.94 117.77 1rj4 h PHE 75 Ca 0.35 -0.13 0.01 0.00 2.80 0.00 0.00 57.97 61.00 1rj4 h PHE 75 Cb -0.09 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 37.79 1rj4 h PHE 75 CO 0.00 0.84 -0.06 0.77 -0.60 0.00 0.00 178.31 179.27 1rj4 h SER 76 N 0.76 -0.16 0.45 2.17 0.02 -0.59 -1.83 113.55 114.37 1rj4 h SER 76 Ca 0.16 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.05 1rj4 h SER 76 Cb 0.42 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1rj4 h SER 76 CO 0.01 -0.08 -0.38 1.88 -1.14 0.00 0.00 176.83 177.11 1rj4 h TYR 77 N -0.10 0.00 -0.55 3.45 0.05 -1.17 -1.94 116.97 116.71 1rj4 h TYR 77 Ca 0.03 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 1rj4 h TYR 77 Cb 0.13 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 1rj4 h TYR 77 CO -0.13 0.38 0.22 -0.22 -1.05 0.00 0.00 178.16 177.36 1rj4 h LYS 78 N 0.00 0.83 -0.50 4.88 3.64 -0.59 -1.52 116.57 123.31 1rj4 h LYS 78 Ca -0.00 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 1rj4 h LYS 78 Cb 0.71 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1rj4 h LYS 78 CO 0.05 0.73 0.16 0.28 -2.27 0.00 0.00 179.45 178.39 1rj4 h VAL 79 N 0.76 1.23 -0.10 2.00 2.07 -0.84 -0.26 116.25 121.11 1rj4 h VAL 79 Ca 0.18 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.96 1rj4 h VAL 79 Cb 0.21 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1rj4 h VAL 79 CO -0.01 0.28 -0.06 0.40 0.02 0.00 0.00 177.57 178.19 1rj4 h ILE 80 N 0.68 0.80 0.03 4.57 2.04 -1.03 -0.78 117.51 123.83 1rj4 h ILE 80 Ca 0.16 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.80 1rj4 h ILE 80 Cb 0.27 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1rj4 h ILE 80 CO -0.01 0.00 -1.03 -0.07 0.00 0.00 0.00 178.15 177.05 1rj4 h LEU 81 N -0.07 0.11 0.00 1.44 3.38 -1.27 -0.59 115.31 118.32 1rj4 h LEU 81 Ca 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1rj4 h LEU 81 Cb 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1rj4 h LEU 81 CO -0.14 1.06 -0.98 0.35 0.09 0.00 0.00 178.44 178.83 1rj4 n THR 82 N -3.44 0.00 0.09 0.22 -2.24 -0.11 -4.49 114.28 104.31 1rj4 n THR 82 Ca -0.02 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1rj4 n THR 82 Cb 0.93 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 1rj4 n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rj4 n ALA 83 N -1.54 3.00 0.01 6.98 0.00 -0.39 -4.78 120.51 123.79 1rj4 n ALA 83 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 1rj4 n ALA 83 Cb 0.34 0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 1rj4 n ALA 83 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1rj4 h SER 84 N 0.00 0.02 -0.17 0.00 0.02 -1.28 -0.62 113.55 111.53 1rj4 h SER 84 Ca 0.00 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 1rj4 h SER 84 Cb 0.08 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1rj4 h SER 84 CO 0.00 0.25 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.78 1rj4 h LEU 85 N -0.21 0.37 -0.57 5.07 3.38 -1.36 -1.89 115.31 120.11 1rj4 h LEU 85 Ca 0.00 -0.43 0.09 0.00 0.09 0.00 0.00 57.88 57.64 1rj4 h LEU 85 Cb 0.24 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 1rj4 h LEU 85 CO 0.00 0.72 0.18 -0.65 0.09 0.00 0.00 178.44 178.78 1rj4 h PRO 86 N 0.03 0.33 -0.72 1.13 0.11 -1.78 -0.15 132.00 130.95 1rj4 h PRO 86 Ca 0.04 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.14 1rj4 h PRO 86 Cb 0.58 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.58 1rj4 h PRO 86 CO 0.03 0.22 0.47 1.49 -0.21 0.00 0.00 178.00 180.00 1rj4 h GLU 87 N 0.34 0.92 -0.12 1.05 4.81 -1.00 -1.07 114.58 119.50 1rj4 h GLU 87 Ca 0.29 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.28 1rj4 h GLU 87 Cb 0.36 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1rj4 h GLU 87 CO -0.31 0.61 -0.68 0.00 -0.73 0.00 0.00 179.01 177.90 1rj4 h ALA 88 N 1.56 0.58 -0.16 2.92 0.00 -0.25 -2.29 119.26 121.63 1rj4 h ALA 88 Ca 0.27 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1rj4 h ALA 88 Cb -0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1rj4 h ALA 88 CO -0.06 0.73 0.04 0.82 0.00 0.00 0.00 179.25 180.77 1rj4 h ILE 89 N 0.37 1.21 -0.51 0.00 2.04 -0.82 -1.30 117.51 118.48 1rj4 h ILE 89 Ca -0.02 -0.65 0.10 0.00 1.00 0.00 0.00 64.86 65.28 1rj4 h ILE 89 Cb 1.25 1.33 -0.08 0.00 -0.74 0.00 0.00 36.82 38.59 1rj4 h ILE 89 CO 0.12 0.20 0.05 -0.33 0.00 0.00 0.00 178.15 178.19 1rj4 h GLU 90 N 0.06 0.17 -0.33 2.37 4.39 -1.17 0.26 114.58 120.33 1rj4 h GLU 90 Ca 0.05 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.76 1rj4 h GLU 90 Cb 0.27 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1rj4 h GLU 90 CO 0.00 0.11 0.19 0.00 -1.16 0.00 0.00 179.01 178.15 1rj4 h ALA 91 N 1.43 0.41 -0.17 3.43 0.00 -1.16 0.19 119.26 123.40 1rj4 h ALA 91 Ca 0.26 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1rj4 h ALA 91 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1rj4 h ALA 91 CO -0.39 -0.17 -0.45 -0.07 0.00 0.00 0.00 179.25 178.17 1rj4 h LEU 92 N 0.39 0.44 0.02 0.00 3.38 -0.37 0.15 115.31 119.31 1rj4 h LEU 92 Ca 0.13 -0.20 -0.38 0.00 0.09 0.00 0.00 57.88 57.51 1rj4 h LEU 92 Cb 0.01 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1rj4 h LEU 92 CO -0.07 0.83 -2.39 0.35 0.09 0.00 0.00 178.44 177.26 1rj4 n THR 93 N -4.00 1.52 0.01 0.22 -2.24 0.83 -4.70 114.28 105.93 1rj4 n THR 93 Ca -0.02 -0.61 0.01 0.00 -2.27 0.00 0.00 64.05 61.15 1rj4 n THR 93 Cb 0.53 -1.36 -0.01 0.00 -2.10 0.00 0.00 70.33 67.39 1rj4 n THR 93 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1rj4 n LYS 94 N -3.24 1.63 0.00 -0.78 5.02 0.36 -5.07 118.16 116.07 1rj4 n LYS 94 Ca -0.42 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 1rj4 n LYS 94 Cb 1.02 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 1rj4 n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rj4 n GLY 95 N 2.09 2.76 3.39 0.72 0.00 0.41 -4.99 105.19 109.56 1rj4 n GLY 95 Ca -0.00 -0.50 -0.45 0.00 0.00 0.00 0.00 46.02 45.08 1rj4 n GLY 95 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rj4 s ASP 96 N 0.75 6.19 0.56 1.61 2.15 -1.07 -4.78 116.67 122.07 1rj4 s ASP 96 Ca 0.00 -1.33 0.33 0.00 0.43 0.00 0.00 52.55 51.98 1rj4 s ASP 96 Cb 0.00 -2.25 1.48 0.00 -0.30 0.00 0.00 42.92 41.85 1rj4 s ASP 96 CO 0.00 -0.88 1.82 -0.65 -0.17 0.00 0.00 175.17 175.28 1rj4 h PRO 97 N 8.97 0.00 -0.49 4.34 0.11 -0.99 -0.97 132.00 142.96 1rj4 h PRO 97 Ca -0.29 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1rj4 h PRO 97 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1rj4 h PRO 97 CO 0.99 0.00 0.26 0.87 -0.21 0.00 0.00 178.00 179.92 1rj4 h LYS 98 N 0.00 0.67 0.00 1.05 1.57 -1.91 -2.69 116.57 115.26 1rj4 h LYS 98 Ca 0.45 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1rj4 h LYS 98 Cb 1.92 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 34.09 1rj4 h LYS 98 CO -0.00 0.50 0.08 0.35 -0.57 0.00 0.00 179.45 179.81 1rj4 h PHE 99 N 0.68 0.00 0.00 -1.35 3.57 -1.52 -1.66 116.94 116.66 1rj4 h PHE 99 Ca 0.18 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1rj4 h PHE 99 Cb 0.03 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 1rj4 h PHE 99 CO 0.00 0.00 -0.03 0.00 -2.23 0.00 0.00 178.31 176.05 1rj4 h ALA 100 N 1.83 1.44 -0.79 2.41 0.00 -1.65 -2.26 119.26 120.25 1rj4 h ALA 100 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1rj4 h ALA 100 Cb 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1rj4 h ALA 100 CO 0.00 0.04 0.48 1.49 0.00 0.00 0.00 179.25 181.26 1rj4 h GLU 101 N 0.00 0.86 -0.57 0.00 4.81 -1.51 -2.30 114.58 115.87 1rj4 h GLU 101 Ca -0.00 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1rj4 h GLU 101 Cb 0.10 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 1rj4 h GLU 101 CO 0.00 0.57 0.34 -0.44 -0.73 0.00 0.00 179.01 178.75 1rj4 h ASP 102 N 0.88 0.54 -0.81 1.04 5.19 -1.64 -0.77 116.42 120.85 1rj4 h ASP 102 Ca 0.34 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.74 1rj4 h ASP 102 Cb 0.15 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 39.52 1rj4 h ASP 102 CO -0.17 0.37 0.45 1.23 -3.12 0.00 0.00 179.24 178.01 1rj4 h GLY 103 N 0.66 1.22 0.96 2.75 0.00 -1.51 -1.14 103.07 106.01 1rj4 h GLY 103 Ca 0.23 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 1rj4 h GLY 103 CO -0.11 0.52 -0.23 -0.33 0.00 0.00 0.00 176.54 176.39 1rj4 h MET 104 N 1.14 0.71 -0.58 4.80 2.86 -0.86 -0.91 114.93 122.09 1rj4 h MET 104 Ca 0.29 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1rj4 h MET 104 Cb 0.02 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1rj4 h MET 104 CO -0.05 0.95 0.28 0.28 1.06 0.00 0.00 176.91 179.44 1rj4 h VAL 105 N 0.46 1.21 -0.65 -2.22 2.07 -1.03 -1.67 116.25 114.41 1rj4 h VAL 105 Ca 0.06 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1rj4 h VAL 105 Cb 0.79 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1rj4 h VAL 105 CO 0.06 0.24 0.23 1.23 0.02 0.00 0.00 177.57 179.35 1rj4 h GLY 106 N 0.79 1.08 1.34 2.17 0.00 -0.97 -0.55 103.07 106.93 1rj4 h GLY 106 Ca 0.20 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 1rj4 h GLY 106 CO -0.03 0.58 -0.27 1.48 0.00 0.00 0.00 176.54 178.30 1rj4 h SER 107 N 0.94 0.77 -0.49 0.19 4.64 -1.00 -0.71 113.55 117.89 1rj4 h SER 107 Ca 0.21 -0.30 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 1rj4 h SER 107 Cb 0.26 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1rj4 h SER 107 CO -0.01 1.00 0.24 -1.28 -0.87 0.00 0.00 176.83 175.91 1rj4 h SER 108 N 0.65 0.64 -0.57 4.97 0.87 -1.13 -2.07 113.55 116.91 1rj4 h SER 108 Ca 0.08 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1rj4 h SER 108 Cb 0.79 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 1rj4 h SER 108 CO 0.06 0.58 0.18 1.23 -0.53 0.00 0.00 176.83 178.36 1rj4 h GLY 109 N 0.64 0.95 2.00 5.77 0.00 -0.62 -2.22 103.07 109.59 1rj4 h GLY 109 Ca 0.17 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 1rj4 h GLY 109 CO -0.02 0.53 -0.31 -0.55 0.00 0.00 0.00 176.54 176.18 1rj4 h ASP 110 N 0.80 0.00 -0.06 0.19 3.32 -1.04 -0.88 116.42 118.76 1rj4 h ASP 110 Ca 0.18 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1rj4 h ASP 110 Cb 0.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1rj4 h ASP 110 CO -0.01 0.31 -0.03 0.00 -1.72 0.00 0.00 179.24 177.79 1rj4 h ALA 111 N 1.69 0.09 -0.26 3.45 0.00 -1.30 -2.05 119.26 120.87 1rj4 h ALA 111 Ca -0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1rj4 h ALA 111 Cb 1.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1rj4 h ALA 111 CO 0.04 -0.16 -0.13 1.96 0.00 0.00 0.00 179.25 180.97 1rj4 h GLN 112 N -0.26 0.44 -0.46 0.00 4.20 -1.28 -2.59 115.11 115.17 1rj4 h GLN 112 Ca 0.01 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1rj4 h GLN 112 Cb 0.48 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1rj4 h GLN 112 CO 0.01 0.57 0.27 1.49 -0.67 0.00 0.00 178.83 180.50 1rj4 h GLU 113 N 0.41 0.63 -0.17 1.46 4.81 -1.11 -1.38 114.58 119.23 1rj4 h GLU 113 Ca 0.08 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1rj4 h GLU 113 Cb 0.47 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1rj4 h GLU 113 CO 0.03 0.47 0.10 0.00 -0.73 0.00 0.00 179.01 178.88 1rj4 h GLU 115 N 0.19 0.67 0.00 0.00 4.57 -1.31 -0.92 114.58 117.79 1rj4 h GLU 115 Ca 0.06 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1rj4 h GLU 115 Cb 0.04 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1rj4 h GLU 115 CO -0.01 0.44 0.00 0.93 -1.18 0.00 0.00 179.01 179.19 1rj4 h GLU 116 N 0.69 0.00 0.00 1.92 5.08 -0.79 -3.03 114.58 118.45 1rj4 h GLU 116 Ca 0.26 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1rj4 h GLU 116 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1rj4 h GLU 116 CO -0.07 0.00 -0.33 1.88 -1.00 0.00 0.00 179.01 179.48 1rj4 h TYR 117 N 0.00 0.00 -3.74 4.33 0.05 -0.61 -3.44 116.97 113.55 1rj4 h TYR 117 Ca 0.00 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.29 1rj4 h TYR 117 Cb 0.57 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 1rj4 h TYR 117 CO 0.00 0.33 0.29 -0.06 -1.05 0.00 0.00 178.16 177.67 1rj4 s PHE 118 N -3.95 3.83 0.06 4.88 0.08 -1.15 -4.69 117.98 117.04 1rj4 s PHE 118 Ca -0.02 1.76 -0.31 0.00 0.12 0.00 0.00 56.93 58.49 1rj4 s PHE 118 Cb 0.13 -2.88 -0.06 0.00 -0.57 0.00 0.00 43.02 39.63 1rj4 s PHE 118 CO 0.68 0.36 1.30 0.15 -0.10 0.00 0.00 175.22 177.62 1rj4 s LYS 119 N -1.59 4.36 0.00 0.44 1.02 -1.26 -4.80 119.74 117.91 1rj4 s LYS 119 Ca 0.44 1.91 0.00 0.00 0.02 0.00 0.00 55.97 58.33 1rj4 s LYS 119 Cb -0.22 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.72 1rj4 s LYS 119 CO 0.27 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 1rj4 n GLY 120 N 3.40 -1.22 0.70 -3.33 0.00 -1.26 -4.70 105.19 98.78 1rj4 n GLY 120 Ca 0.11 -2.12 0.09 0.00 0.00 0.00 0.00 46.02 44.09 1rj4 n GLY 120 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rj4 n SER 121 N 0.00 2.45 -3.55 1.61 3.41 -1.26 -4.91 113.62 111.37 1rj4 n SER 121 Ca 0.00 -1.73 -0.15 0.00 -0.26 0.00 0.00 58.87 56.73 1rj4 n SER 121 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.83 1rj4 n SER 121 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1rj4 s LYS 122 N -1.46 0.18 0.58 4.33 1.02 -1.26 -5.10 119.74 118.04 1rj4 s LYS 122 Ca 0.20 0.47 -0.00 0.00 0.02 0.00 0.00 55.97 56.66 1rj4 s LYS 122 Cb 0.15 -0.63 0.04 0.00 -0.52 0.00 0.00 37.83 36.86 1rj4 s LYS 122 CO 0.22 -0.50 0.82 -1.54 -0.92 0.00 0.00 175.35 173.43 1rj4 s SER 123 N 2.39 5.20 0.52 2.83 1.04 -1.26 -4.98 113.70 119.43 1rj4 s SER 123 Ca 0.05 0.09 0.34 0.00 0.48 0.00 0.00 55.95 56.91 1rj4 s SER 123 Cb -0.14 -0.94 1.84 0.00 0.10 0.00 0.00 66.02 66.88 1rj4 s SER 123 CO -0.11 -1.23 2.04 -0.65 0.98 0.00 0.00 173.24 174.27 1rj4 h PRO 124 N -0.06 0.00 -0.58 4.02 0.11 -2.00 -2.09 132.00 131.40 1rj4 h PRO 124 Ca -0.43 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.38 1rj4 h PRO 124 Cb 1.30 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 32.00 1rj4 h PRO 124 CO 0.54 0.00 -1.08 1.97 -0.21 0.00 0.00 178.00 179.22 1rj4 n PHE 125 N -2.70 1.50 -0.28 0.65 1.16 -1.26 -4.89 117.46 111.64 1rj4 n PHE 125 Ca -0.02 -2.26 0.07 0.00 -1.87 0.00 0.00 57.45 53.37 1rj4 n PHE 125 Cb 0.07 -0.26 0.22 0.00 -1.61 0.00 0.00 39.48 37.90 1rj4 n PHE 125 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1rj4 h SER 126 N 2.60 0.42 -0.68 5.98 0.87 -1.75 -1.41 113.55 119.57 1rj4 h SER 126 Ca -0.05 0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1rj4 h SER 126 Cb 1.29 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 63.25 1rj4 h SER 126 CO 0.32 0.15 0.41 0.00 -0.53 0.00 0.00 176.83 177.18 1rj4 h ALA 127 N 1.57 0.90 -0.35 6.23 0.00 -1.90 0.20 119.26 125.91 1rj4 h ALA 127 Ca 0.45 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.21 1rj4 h ALA 127 Cb 0.69 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1rj4 h ALA 127 CO -0.39 0.15 -0.37 -0.07 0.00 0.00 0.00 179.25 178.57 1rj4 h LEU 128 N 0.79 0.86 -0.42 0.00 3.38 -1.69 -0.93 115.31 117.30 1rj4 h LEU 128 Ca 0.28 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1rj4 h LEU 128 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1rj4 h LEU 128 CO -0.13 1.13 0.09 0.78 0.09 0.00 0.00 178.44 180.40 1rj4 h ASN 129 N 0.67 0.65 -0.84 -0.43 2.35 -0.83 -0.99 115.58 116.15 1rj4 h ASN 129 Ca 0.06 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1rj4 h ASN 129 Cb 0.93 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 39.08 1rj4 h ASN 129 CO 0.09 0.73 0.48 0.40 -1.65 0.00 0.00 177.43 177.48 1rj4 h ILE 130 N 0.55 1.24 0.07 2.81 2.04 -0.90 -0.90 117.51 122.42 1rj4 h ILE 130 Ca 0.13 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 1rj4 h ILE 130 Cb 0.34 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1rj4 h ILE 130 CO 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 178.15 178.39 1rj4 h ALA 131 N 1.26 -0.09 -0.73 1.87 0.00 -0.90 0.26 119.26 120.93 1rj4 h ALA 131 Ca 0.30 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1rj4 h ALA 131 Cb -0.00 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1rj4 h ALA 131 CO -0.05 -0.43 0.45 0.28 0.00 0.00 0.00 179.25 179.49 1rj4 h VAL 132 N -0.33 1.07 0.25 0.00 2.07 -1.11 0.14 116.25 118.35 1rj4 h VAL 132 Ca -0.01 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1rj4 h VAL 132 Cb 0.29 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1rj4 h VAL 132 CO 0.02 0.16 -0.12 -0.74 0.02 0.00 0.00 177.57 176.90 1rj4 h HIS 133 N 0.86 -0.31 -0.75 1.57 6.17 -0.89 -1.10 115.15 120.70 1rj4 h HIS 133 Ca 0.30 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.35 1rj4 h HIS 133 Cb 0.06 0.10 -0.03 0.00 2.52 0.00 0.00 27.41 30.06 1rj4 h HIS 133 CO -0.04 -0.12 0.38 0.93 0.71 0.00 0.00 177.93 179.78 1rj4 h GLU 134 N -0.43 1.08 -0.59 5.26 4.39 -0.17 -1.32 114.58 122.79 1rj4 h GLU 134 Ca -0.03 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.42 1rj4 h GLU 134 Cb 0.33 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1rj4 h GLU 134 CO 0.06 0.83 0.01 -0.07 -1.16 0.00 0.00 179.01 178.67 1rj4 h LEU 135 N 1.06 1.00 -0.66 1.33 3.38 -0.73 -1.68 115.31 119.01 1rj4 h LEU 135 Ca 0.26 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1rj4 h LEU 135 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1rj4 h LEU 135 CO -0.04 1.05 0.13 0.28 0.09 0.00 0.00 178.44 179.96 1rj4 h SER 136 N 0.95 1.02 0.01 -0.43 0.02 -0.82 -0.01 113.55 114.28 1rj4 h SER 136 Ca 0.17 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.76 1rj4 h SER 136 Cb 0.53 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1rj4 h SER 136 CO 0.03 1.00 -0.35 0.44 -1.14 0.00 0.00 176.83 176.81 1rj4 h ASP 137 N 0.99 0.48 -0.13 3.07 3.32 -1.08 0.13 116.42 123.20 1rj4 h ASP 137 Ca 0.20 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1rj4 h ASP 137 Cb 0.40 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1rj4 h ASP 137 CO 0.01 0.80 -0.00 0.58 -1.72 0.00 0.00 179.24 178.90 1rj4 h VAL 138 N 0.40 1.26 -0.78 -1.35 2.07 -0.95 -1.91 116.25 114.98 1rj4 h VAL 138 Ca 0.04 -0.84 0.05 0.00 0.82 0.00 0.00 66.70 66.77 1rj4 h VAL 138 Cb 0.80 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 1rj4 h VAL 138 CO 0.06 0.24 0.52 1.23 0.02 0.00 0.00 177.57 179.64 1rj4 h GLY 139 N -0.05 1.09 0.93 2.17 0.00 -0.69 -0.30 103.07 106.22 1rj4 h GLY 139 Ca 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1rj4 h GLY 139 CO 0.01 0.29 0.10 -0.09 0.00 0.00 0.00 176.54 176.85 1rj4 h ARG 140 N 0.91 0.29 -0.46 4.80 9.65 -0.64 -0.58 114.38 128.35 1rj4 h ARG 140 Ca 0.32 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 59.11 1rj4 h ARG 140 Cb 0.13 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 1rj4 h ARG 140 CO -0.10 0.30 0.04 0.00 2.80 0.00 0.00 179.97 183.00 1rj4 h ALA 141 N 0.98 1.21 -0.42 2.80 0.00 -0.46 -2.03 119.26 121.34 1rj4 h ALA 141 Ca 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1rj4 h ALA 141 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1rj4 h ALA 141 CO -0.01 0.53 0.09 0.82 0.00 0.00 0.00 179.25 180.68 1rj4 h ILE 142 N 0.69 1.23 -0.49 0.00 2.04 -0.78 -3.09 117.51 117.12 1rj4 h ILE 142 Ca 0.14 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 1rj4 h ILE 142 Cb 0.37 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1rj4 h ILE 142 CO 0.01 0.28 0.18 0.58 0.00 0.00 0.00 178.15 179.21 1rj4 h VAL 143 N 0.54 1.19 0.00 1.67 2.07 -0.74 -2.49 116.25 118.49 1rj4 h VAL 143 Ca 0.13 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1rj4 h VAL 143 Cb 0.33 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1rj4 h VAL 143 CO 0.00 0.23 0.00 0.03 0.02 0.00 0.00 177.57 177.85 1rj4 h ARG 144 N 0.69 0.00 0.00 1.57 3.08 -1.29 0.49 114.38 118.93 1rj4 h ARG 144 Ca 0.17 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1rj4 h ARG 144 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1rj4 h ARG 144 CO -0.01 0.00 -0.11 -0.91 -1.07 0.00 0.00 179.97 177.86 1rj4 h ASN 145 N 0.00 0.00 1.11 7.04 4.21 -1.52 -2.11 115.58 124.31 1rj4 h ASN 145 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1rj4 h ASN 145 Cb 0.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 1rj4 h ASN 145 CO 0.00 0.11 -0.00 0.18 -1.29 0.00 0.00 177.43 176.43 1rj4 n LEU 146 N -3.69 0.20 0.00 1.61 4.77 0.16 -5.18 117.00 114.87 1rj4 n LEU 146 Ca -0.02 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.61 1rj4 n LEU 146 Cb 0.23 -0.45 0.81 0.00 -2.33 0.00 0.00 43.42 41.67 1rj4 n LEU 146 CO 0.30 -0.04 0.99 0.18 -1.33 0.00 0.00 177.39 177.48