#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1br4 s SER 4 N 0.00 5.09 0.22 4.37 0.15 -1.26 -4.82 113.70 117.45 1br4 s SER 4 Ca 0.00 1.83 -0.05 0.00 0.70 0.00 0.00 55.95 58.43 1br4 s SER 4 Cb 0.00 -2.53 0.21 0.00 -1.71 0.00 0.00 66.02 61.99 1br4 s SER 4 CO 0.00 -1.64 1.67 -0.08 1.20 0.00 0.00 173.24 174.39 1br4 h GLU 5 N -0.43 0.84 -0.23 5.44 4.57 -2.05 0.94 114.58 123.67 1br4 h GLU 5 Ca -0.45 -0.29 -0.12 0.00 -1.18 0.00 0.00 59.36 57.32 1br4 h GLU 5 Cb 1.23 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1br4 h GLU 5 CO 0.54 0.91 -0.32 1.49 -1.18 0.00 0.00 179.01 180.45 1br4 h GLU 6 N 0.76 0.62 0.02 1.92 4.81 -2.00 -1.99 114.58 118.73 1br4 h GLU 6 Ca 0.13 -0.36 -0.21 0.00 -0.13 0.00 0.00 59.36 58.78 1br4 h GLU 6 Cb 0.61 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1br4 h GLU 6 CO 0.04 0.97 -1.00 -0.56 -0.73 0.00 0.00 179.01 177.73 1br4 h GLN 7 N 0.32 0.07 -0.01 1.92 3.07 -1.94 -3.15 115.11 115.39 1br4 h GLN 7 Ca 0.03 -0.11 -0.10 0.00 0.09 0.00 0.00 58.65 58.56 1br4 h GLN 7 Cb 0.90 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.49 1br4 h GLN 7 CO 0.07 1.01 -0.45 1.15 0.09 0.00 0.00 178.83 180.70 1br4 h THR 8 N 0.03 1.33 -0.22 1.86 2.02 0.93 -0.10 112.91 118.76 1br4 h THR 8 Ca -0.04 -1.57 -0.12 0.00 0.77 0.00 0.00 66.41 65.45 1br4 h THR 8 Cb 1.73 1.83 -0.00 0.00 -1.74 0.00 0.00 68.15 69.96 1br4 h THR 8 CO 0.14 0.45 -0.34 0.00 0.37 0.00 0.00 175.52 176.14 1br4 h ALA 9 N 1.52 0.34 -0.01 6.16 0.00 -1.38 -2.62 119.26 123.28 1br4 h ALA 9 Ca -0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 1br4 h ALA 9 Cb 0.81 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1br4 h ALA 9 CO 0.06 0.40 -0.39 0.93 0.00 0.00 0.00 179.25 180.25 1br4 h GLU 10 N 0.32 0.01 -0.48 0.00 3.07 -1.47 -2.53 114.58 113.50 1br4 h GLU 10 Ca 0.02 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.90 1br4 h GLU 10 Cb 0.93 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.81 1br4 h GLU 10 CO 0.08 0.40 0.28 0.74 -1.40 0.00 0.00 179.01 179.11 1br4 h PHE 11 N 0.01 0.53 -0.45 4.33 -1.00 -0.76 -1.69 116.94 117.91 1br4 h PHE 11 Ca -0.00 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1br4 h PHE 11 Cb 0.69 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 40.06 1br4 h PHE 11 CO 0.00 0.30 0.25 1.57 -1.61 0.00 0.00 178.31 178.83 1br4 h LYS 12 N 0.57 0.62 0.23 1.51 2.10 -1.10 -1.65 116.57 118.85 1br4 h LYS 12 Ca 0.19 -0.07 0.01 0.00 -2.00 0.00 0.00 60.65 58.79 1br4 h LYS 12 Cb 0.02 -0.12 -0.04 0.00 -0.90 0.00 0.00 32.23 31.19 1br4 h LYS 12 CO -0.09 0.48 -0.39 0.93 -2.00 0.00 0.00 179.45 178.38 1br4 h GLU 13 N 0.59 -0.67 -0.45 0.07 5.08 -1.23 -0.08 114.58 117.90 1br4 h GLU 13 Ca 0.16 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.67 1br4 h GLU 13 Cb 0.04 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1br4 h GLU 13 CO -0.03 -0.44 0.31 0.00 -1.00 0.00 0.00 179.01 177.85 1br4 h ALA 14 N -0.22 2.28 -0.02 3.43 0.00 -1.22 -0.58 119.26 122.93 1br4 h ALA 14 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1br4 h ALA 14 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1br4 h ALA 14 CO -0.16 -0.40 -0.15 0.35 0.00 0.00 0.00 179.25 178.89 1br4 h PHE 15 N 0.11 0.18 0.00 0.00 3.04 -0.36 -3.23 116.94 116.67 1br4 h PHE 15 Ca 0.21 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 62.07 1br4 h PHE 15 Cb 0.70 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.18 1br4 h PHE 15 CO -0.00 0.82 0.00 1.04 -2.02 0.00 0.00 178.31 178.15 1br4 n GLN 16 N -4.61 0.12 0.00 1.11 1.13 -0.13 -1.58 117.38 113.42 1br4 n GLN 16 Ca -0.09 0.27 0.13 0.00 -1.94 0.00 0.00 57.00 55.37 1br4 n GLN 16 Cb 0.42 -1.70 0.59 0.00 0.11 0.00 0.00 30.24 29.67 1br4 n GLN 16 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1br4 n LEU 17 N -1.92 0.00 -4.07 1.08 7.94 -0.27 -4.10 117.00 115.67 1br4 n LEU 17 Ca 0.04 0.49 -0.38 0.00 -1.11 0.00 0.00 56.01 55.05 1br4 n LEU 17 Cb 0.27 -0.49 -0.04 0.00 0.53 0.00 0.00 43.42 43.69 1br4 n LEU 17 CO 0.21 -0.03 0.51 0.49 -1.11 0.00 0.00 177.39 177.46 1br4 n PHE 18 N -1.49 4.09 0.00 1.96 3.72 -0.62 -4.95 117.46 120.18 1br4 n PHE 18 Ca 0.07 -3.89 0.00 0.00 -0.05 0.00 0.00 57.45 53.58 1br4 n PHE 18 Cb 0.31 -1.20 0.00 0.00 -0.94 0.00 0.00 39.48 37.66 1br4 n PHE 18 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1br4 n ASP 19 N 2.09 0.00 0.00 4.37 -0.08 -1.26 -4.64 116.55 117.02 1br4 n ASP 19 Ca 0.24 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 1br4 n ASP 19 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 1br4 n ASP 19 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1br4 n ARG 20 N 0.00 0.00 0.00 -0.67 1.85 -1.26 -4.71 116.66 111.87 1br4 n ARG 20 Ca 0.00 0.19 0.00 0.00 -1.00 0.00 0.00 57.85 57.04 1br4 n ARG 20 Cb 0.00 -1.08 0.00 0.00 -1.05 0.00 0.00 32.46 30.33 1br4 n ARG 20 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1br4 n THR 21 N -1.07 0.00 -0.62 8.89 -2.24 -1.26 -5.02 114.28 112.96 1br4 n THR 21 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1br4 n THR 21 Cb 0.00 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 1br4 n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1br4 n GLY 22 N 0.37 0.03 0.00 3.38 0.00 -1.26 -4.95 105.19 102.75 1br4 n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1br4 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1br4 n ASP 23 N 0.00 0.00 -1.27 1.61 8.00 -1.26 -4.70 116.55 118.93 1br4 n ASP 23 Ca 0.00 0.36 -0.12 0.00 0.71 0.00 0.00 54.79 55.74 1br4 n ASP 23 Cb 0.01 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.73 1br4 n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1br4 n GLY 24 N -1.35 0.24 3.31 0.44 0.00 -1.26 -4.99 105.19 101.58 1br4 n GLY 24 Ca 0.00 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 1br4 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1br4 s LYS 25 N -4.20 3.22 -0.24 1.61 1.02 -1.26 -3.63 119.74 116.27 1br4 s LYS 25 Ca 0.00 -0.77 -0.22 0.00 0.02 0.00 0.00 55.97 55.00 1br4 s LYS 25 Cb 0.00 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 1br4 s LYS 25 CO 0.00 0.21 0.70 0.42 -0.92 0.00 0.00 175.35 175.76 1br4 s ILE 26 N 0.32 4.94 0.69 2.17 1.09 0.89 -4.69 121.20 126.62 1br4 s ILE 26 Ca -0.14 1.29 -0.17 0.00 -1.10 0.00 0.00 60.65 60.54 1br4 s ILE 26 Cb -0.17 -4.00 -0.04 0.00 -1.06 0.00 0.00 42.46 37.19 1br4 s ILE 26 CO 0.07 0.01 0.57 -0.11 -0.10 0.00 0.00 174.94 175.38 1br4 n LEU 27 N 5.66 1.07 -0.29 2.97 0.00 -1.26 -1.88 117.00 123.27 1br4 n LEU 27 Ca 0.01 0.63 -0.02 0.00 0.00 0.00 0.00 56.01 56.63 1br4 n LEU 27 Cb 0.49 -1.22 0.15 0.00 0.00 0.00 0.00 43.42 42.83 1br4 n LEU 27 CO 0.45 -3.00 1.20 0.22 0.00 0.00 0.00 177.39 176.25 1br4 h TYR 28 N -0.23 1.12 0.04 1.96 3.20 -1.35 -2.34 116.97 119.36 1br4 h TYR 28 Ca -0.46 -0.01 -0.27 0.00 3.14 0.00 0.00 58.73 61.13 1br4 h TYR 28 Cb 1.36 -0.37 0.02 0.00 1.54 0.00 0.00 36.73 39.28 1br4 h TYR 28 CO 0.34 0.75 -1.10 0.66 -1.64 0.00 0.00 178.16 177.18 1br4 h SER 29 N 1.16 0.87 0.00 -2.11 4.64 -1.63 -3.32 113.55 113.16 1br4 h SER 29 Ca 0.30 -0.73 -0.19 0.00 -0.47 0.00 0.00 61.79 60.70 1br4 h SER 29 Cb -0.02 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.75 1br4 h SER 29 CO -0.05 1.53 0.20 1.67 -0.87 0.00 0.00 176.83 179.30 1br4 n GLN 30 N -3.82 1.69 0.00 4.77 7.27 -0.88 -3.63 117.38 122.78 1br4 n GLN 30 Ca -0.11 -0.89 0.00 0.00 0.07 0.00 0.00 57.00 56.07 1br4 n GLN 30 Cb 0.91 -1.97 0.00 0.00 2.41 0.00 0.00 30.24 31.59 1br4 n GLN 30 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1br4 h GLY 32 N 0.00 -0.72 1.55 0.00 0.00 -1.85 -1.40 103.07 100.64 1br4 h GLY 32 Ca 0.00 0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.84 1br4 h GLY 32 CO 0.00 -0.23 0.26 -0.55 0.00 0.00 0.00 176.54 176.02 1br4 h ASP 33 N -0.51 0.53 -0.49 0.19 3.32 -1.87 -1.24 116.42 116.34 1br4 h ASP 33 Ca 0.07 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1br4 h ASP 33 Cb 0.63 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1br4 h ASP 33 CO -0.38 0.42 0.19 0.58 -1.72 0.00 0.00 179.24 178.33 1br4 h VAL 34 N 0.61 1.21 -0.20 -1.35 2.07 -1.64 0.15 116.25 117.10 1br4 h VAL 34 Ca 0.16 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 1br4 h VAL 34 Cb -0.01 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1br4 h VAL 34 CO -0.03 0.25 -0.05 0.24 0.02 0.00 0.00 177.57 178.00 1br4 h MET 35 N 0.66 0.38 -0.51 1.57 2.86 -0.78 -2.92 114.93 116.19 1br4 h MET 35 Ca 0.16 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1br4 h MET 35 Cb 0.20 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1br4 h MET 35 CO -0.01 0.63 0.29 0.00 1.06 0.00 0.00 176.91 178.88 1br4 h ARG 36 N 0.10 0.70 -0.68 1.72 3.08 -1.12 -1.96 114.38 116.21 1br4 h ARG 36 Ca 0.05 -0.07 0.15 0.00 0.07 0.00 0.00 59.98 60.18 1br4 h ARG 36 Cb 0.49 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1br4 h ARG 36 CO 0.02 0.53 0.47 0.00 -1.07 0.00 0.00 179.97 179.91 1br4 h ALA 37 N 1.13 2.26 0.00 0.04 0.00 -0.68 0.93 119.26 122.94 1br4 h ALA 37 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1br4 h ALA 37 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1br4 h ALA 37 CO -0.03 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.06 1br4 n LEU 38 N -4.44 0.34 -0.22 0.00 4.77 -0.77 -4.79 117.00 111.88 1br4 n LEU 38 Ca 0.13 -0.17 -0.01 0.00 -0.03 0.00 0.00 56.01 55.93 1br4 n LEU 38 Cb 0.56 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1br4 n LEU 38 CO 0.34 0.08 -0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1br4 n GLY 39 N 0.31 0.53 3.50 -0.72 0.00 0.31 -5.06 105.19 104.05 1br4 n GLY 39 Ca 0.00 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 1br4 n GLY 39 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1br4 s GLN 40 N -4.34 2.35 -0.49 1.61 2.00 -0.35 -4.98 119.66 115.45 1br4 s GLN 40 Ca 0.00 -0.81 0.04 0.00 -2.00 0.00 0.00 55.36 52.59 1br4 s GLN 40 Cb -0.00 -2.33 0.43 0.00 0.80 0.00 0.00 33.01 31.90 1br4 s GLN 40 CO 0.01 0.59 1.41 0.09 -0.50 0.00 0.00 175.29 176.88 1br4 n ASN 41 N 1.82 5.65 -4.77 6.67 3.02 -1.26 -3.43 115.26 122.97 1br4 n ASN 41 Ca -0.16 -3.76 -0.41 0.00 -0.03 0.00 0.00 54.58 50.22 1br4 n ASN 41 Cb 0.52 -0.59 -0.01 0.00 -0.61 0.00 0.00 39.78 39.09 1br4 n ASN 41 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1br4 s PRO 42 N -3.69 4.18 0.91 3.52 0.04 -1.26 -4.97 135.00 133.73 1br4 s PRO 42 Ca 0.52 2.47 -0.11 0.00 0.04 0.00 0.00 61.00 63.92 1br4 s PRO 42 Cb 0.43 -3.01 0.14 0.00 0.04 0.00 0.00 34.50 32.09 1br4 s PRO 42 CO -0.12 -0.46 1.09 0.95 0.04 0.00 0.00 177.00 178.49 1br4 s THR 43 N -0.86 2.60 -1.14 1.26 -4.23 -1.26 -4.87 115.64 107.14 1br4 s THR 43 Ca 0.54 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.25 1br4 s THR 43 Cb -0.45 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1br4 s THR 43 CO 0.57 -0.26 0.47 -3.20 -0.54 0.00 0.00 174.62 171.66 1br4 n ASN 44 N -3.99 0.70 0.01 3.99 5.15 -1.26 -3.34 115.26 116.52 1br4 n ASN 44 Ca 0.07 -1.63 -0.03 0.00 -0.60 0.00 0.00 54.58 52.39 1br4 n ASN 44 Cb 0.54 -0.35 -0.01 0.00 -0.53 0.00 0.00 39.78 39.43 1br4 n ASN 44 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1br4 n ALA 45 N 0.01 2.54 -0.23 5.20 0.00 -1.26 -4.59 120.51 122.18 1br4 n ALA 45 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 1br4 n ALA 45 Cb 0.18 0.24 0.05 0.00 0.00 0.00 0.00 19.45 19.91 1br4 n ALA 45 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1br4 h GLU 46 N -0.22 -0.07 -0.51 0.00 5.08 -1.93 0.18 114.58 117.11 1br4 h GLU 46 Ca -0.03 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1br4 h GLU 46 Cb 0.37 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.55 1br4 h GLU 46 CO -0.02 -0.04 -0.01 -0.39 -1.00 0.00 0.00 179.01 177.54 1br4 h VAL 47 N -0.07 0.58 -0.73 3.13 -1.51 -1.86 0.04 116.25 115.83 1br4 h VAL 47 Ca 0.29 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.69 1br4 h VAL 47 Cb 0.53 0.48 -0.03 0.00 -2.13 0.00 0.00 31.29 30.14 1br4 h VAL 47 CO -0.71 0.02 0.32 -0.03 -1.23 0.00 0.00 177.57 175.93 1br4 h MET 48 N 0.10 1.08 -0.88 5.19 4.05 -1.23 -1.60 114.93 121.64 1br4 h MET 48 Ca 0.26 -0.18 0.02 0.00 -0.28 0.00 0.00 59.70 59.51 1br4 h MET 48 Cb 0.39 -0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 30.96 1br4 h MET 48 CO -0.44 0.87 0.58 1.57 0.23 0.00 0.00 176.91 179.72 1br4 h LYS 49 N 1.04 1.13 0.00 0.39 2.10 0.65 -0.91 116.57 120.97 1br4 h LYS 49 Ca 0.25 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 1br4 h LYS 49 Cb 0.17 -0.25 0.00 0.00 -0.90 0.00 0.00 32.23 31.25 1br4 h LYS 49 CO -0.02 0.75 0.00 0.28 -2.00 0.00 0.00 179.45 178.45 1br4 n VAL 50 N -4.49 0.35 0.32 0.07 0.31 -0.14 -3.18 118.33 111.57 1br4 n VAL 50 Ca 0.10 -0.14 0.09 0.00 -0.01 0.00 0.00 64.34 64.37 1br4 n VAL 50 Cb 0.04 -0.57 0.24 0.00 -0.91 0.00 0.00 33.84 32.64 1br4 n VAL 50 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1br4 n LEU 51 N -1.92 2.85 0.00 7.52 4.77 -0.55 -4.87 117.00 124.80 1br4 n LEU 51 Ca 0.06 -1.42 0.00 0.00 -0.03 0.00 0.00 56.01 54.63 1br4 n LEU 51 Cb 0.38 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1br4 n LEU 51 CO 0.28 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 1br4 n GLY 52 N 1.35 0.86 1.45 -0.72 0.00 -1.16 -2.83 105.19 104.14 1br4 n GLY 52 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 1br4 n GLY 52 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1br4 n ASN 53 N 0.00 -2.18 -4.25 1.61 3.02 -0.46 -5.02 115.26 107.98 1br4 n ASN 53 Ca 0.00 -0.09 -0.29 0.00 -0.03 0.00 0.00 54.58 54.17 1br4 n ASN 53 Cb 0.00 -1.17 0.27 0.00 -0.61 0.00 0.00 39.78 38.27 1br4 n ASN 53 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1br4 n PRO 54 N -1.53 -3.05 -3.95 3.52 -0.02 -1.13 -5.01 135.00 123.83 1br4 n PRO 54 Ca -0.03 -0.87 -0.32 0.00 -2.02 0.00 0.00 63.50 60.25 1br4 n PRO 54 Cb 0.52 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.85 1br4 n PRO 54 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1br4 s LYS 55 N -4.47 3.33 0.35 -0.52 -0.14 -1.26 -4.93 119.74 112.09 1br4 s LYS 55 Ca 0.68 -0.43 0.15 0.00 -1.36 0.00 0.00 55.97 55.02 1br4 s LYS 55 Cb -0.23 -3.00 1.14 0.00 -1.68 0.00 0.00 37.83 34.06 1br4 s LYS 55 CO 0.64 0.64 1.61 0.66 -0.76 0.00 0.00 175.35 178.14 1br4 h SER 56 N 3.53 0.28 0.14 2.83 4.64 -1.97 0.72 113.55 123.72 1br4 h SER 56 Ca -0.47 0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1br4 h SER 56 Cb 1.17 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1br4 h SER 56 CO 0.70 -0.30 -0.07 -2.24 -0.87 0.00 0.00 176.83 174.06 1br4 h ASP 57 N 0.13 -0.16 1.21 4.97 2.03 -2.01 -2.91 116.42 119.69 1br4 h ASP 57 Ca 0.76 -0.11 -0.04 0.00 -0.73 0.00 0.00 57.03 56.91 1br4 h ASP 57 Cb 1.85 0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 40.39 1br4 h ASP 57 CO -0.72 0.02 -0.17 1.05 -1.03 0.00 0.00 179.24 178.38 1br4 h GLU 58 N -0.33 0.00 -0.25 4.15 4.11 -1.15 -3.13 114.58 117.99 1br4 h GLU 58 Ca -0.02 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.35 1br4 h GLU 58 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1br4 h GLU 58 CO 0.03 0.17 -0.13 0.52 0.07 0.00 0.00 179.01 179.68 1br4 h MET 59 N 0.00 0.41 -0.00 1.06 2.86 0.49 -0.68 114.93 119.07 1br4 h MET 59 Ca -0.00 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1br4 h MET 59 Cb 0.83 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1br4 h MET 59 CO 0.02 0.54 -0.23 -1.71 1.06 0.00 0.00 176.91 176.60 1br4 n ASN 60 N -4.22 0.35 -0.86 1.22 2.85 -1.12 -1.65 115.26 111.84 1br4 n ASN 60 Ca 0.00 -0.12 0.04 0.00 -0.11 0.00 0.00 54.58 54.40 1br4 n ASN 60 Cb 0.31 -0.08 0.08 0.00 1.24 0.00 0.00 39.78 41.32 1br4 n ASN 60 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1br4 n LEU 61 N -1.32 1.36 -4.71 1.20 4.77 -0.93 -4.95 117.00 112.42 1br4 n LEU 61 Ca 0.09 -2.37 -0.25 0.00 -0.03 0.00 0.00 56.01 53.45 1br4 n LEU 61 Cb 0.32 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1br4 n LEU 61 CO 0.29 0.69 -0.28 -0.54 -1.33 0.00 0.00 177.39 176.22 1br4 s LYS 62 N -1.16 2.56 0.38 3.23 -0.14 -0.31 -5.00 119.74 119.30 1br4 s LYS 62 Ca 0.27 -1.13 0.08 0.00 -1.36 0.00 0.00 55.97 53.83 1br4 s LYS 62 Cb 0.28 -2.40 -0.07 0.00 -1.68 0.00 0.00 37.83 33.96 1br4 s LYS 62 CO -0.08 0.43 -0.01 0.95 -0.76 0.00 0.00 175.35 175.88 1br4 s THR 63 N -1.96 2.19 -0.30 2.17 -4.23 -1.26 -2.24 115.64 110.01 1br4 s THR 63 Ca 0.30 -2.04 -0.07 0.00 -1.18 0.00 0.00 61.69 58.71 1br4 s THR 63 Cb -0.08 -2.86 0.18 0.00 1.34 0.00 0.00 72.50 71.08 1br4 s THR 63 CO 0.21 -0.09 0.79 -0.22 -0.54 0.00 0.00 174.62 174.77 1br4 s LEU 64 N -3.70 -0.99 0.37 4.79 0.20 -0.79 -4.70 118.68 113.87 1br4 s LEU 64 Ca 0.35 0.67 -0.24 0.00 0.69 0.00 0.00 54.13 55.60 1br4 s LEU 64 Cb 0.06 1.85 -0.10 0.00 -0.43 0.00 0.00 46.19 47.57 1br4 s LEU 64 CO 0.18 -0.19 0.97 -0.54 -0.29 0.00 0.00 176.35 176.48 1br4 s LYS 65 N 2.88 4.41 0.30 1.98 1.02 -1.26 0.30 119.74 129.37 1br4 s LYS 65 Ca 0.11 1.31 0.05 0.00 0.02 0.00 0.00 55.97 57.45 1br4 s LYS 65 Cb -0.13 -2.59 0.76 0.00 -0.52 0.00 0.00 37.83 35.35 1br4 s LYS 65 CO -0.17 0.12 1.69 0.35 -0.92 0.00 0.00 175.35 176.42 1br4 h PHE 66 N 2.72 0.68 -0.56 3.18 3.57 -1.97 0.96 116.94 125.53 1br4 h PHE 66 Ca -0.48 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.03 1br4 h PHE 66 Cb 1.19 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1br4 h PHE 66 CO 0.61 -0.05 0.20 0.93 -2.23 0.00 0.00 178.31 177.76 1br4 h GLU 67 N 0.40 0.82 -0.00 1.11 4.39 -1.92 -0.95 114.58 118.43 1br4 h GLU 67 Ca 0.58 -0.13 -0.16 0.00 0.34 0.00 0.00 59.36 59.98 1br4 h GLU 67 Cb 1.11 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.60 1br4 h GLU 67 CO -0.54 0.69 -0.73 1.96 -1.16 0.00 0.00 179.01 179.23 1br4 h GLN 68 N 0.80 0.04 -0.04 2.33 4.20 0.30 -3.24 115.11 119.49 1br4 h GLN 68 Ca 0.19 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.68 1br4 h GLN 68 Cb 0.20 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1br4 h GLN 68 CO -0.01 0.75 -0.78 0.35 -0.67 0.00 0.00 178.83 178.47 1br4 h PHE 69 N 0.02 0.42 -0.53 2.96 3.04 0.62 -3.37 116.94 120.11 1br4 h PHE 69 Ca -0.01 -0.20 0.10 0.00 3.98 0.00 0.00 57.97 61.84 1br4 h PHE 69 Cb 1.29 -0.06 -0.11 0.00 2.56 0.00 0.00 35.95 39.64 1br4 h PHE 69 CO 0.00 0.97 -0.26 1.25 -2.02 0.00 0.00 178.31 178.25 1br4 h LEU 70 N 0.19 -0.91 -1.07 0.59 5.85 -1.22 -1.56 115.31 117.18 1br4 h LEU 70 Ca -0.04 0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.97 1br4 h LEU 70 Cb 1.37 0.48 -0.07 0.00 0.37 0.00 0.00 40.66 42.81 1br4 h LEU 70 CO 0.13 -0.27 0.62 1.55 -0.34 0.00 0.00 178.44 180.13 1br4 h PRO 71 N -0.14 1.03 -0.55 5.25 0.13 -1.77 -2.31 132.00 133.64 1br4 h PRO 71 Ca 0.23 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 65.20 1br4 h PRO 71 Cb 0.51 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.39 1br4 h PRO 71 CO -0.61 0.68 -0.04 0.52 -0.23 0.00 0.00 178.00 178.32 1br4 h MET 72 N 1.06 1.00 0.22 0.86 2.86 -1.57 -2.70 114.93 116.67 1br4 h MET 72 Ca 0.44 -0.34 0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1br4 h MET 72 Cb 0.29 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1br4 h MET 72 CO -0.19 1.02 -0.27 1.98 1.06 0.00 0.00 176.91 180.51 1br4 h MET 73 N 0.88 -0.52 0.10 1.72 4.05 -0.74 -1.22 114.93 119.20 1br4 h MET 73 Ca 0.15 0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1br4 h MET 73 Cb 0.60 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 1br4 h MET 73 CO 0.04 -0.35 -0.05 1.96 0.23 0.00 0.00 176.91 178.74 1br4 h GLN 74 N -0.54 -0.13 -0.58 0.39 7.50 -1.59 0.21 115.11 120.37 1br4 h GLN 74 Ca 0.00 0.01 0.12 0.00 0.50 0.00 0.00 58.65 59.28 1br4 h GLN 74 Cb 0.52 0.03 -0.10 0.00 0.05 0.00 0.00 27.48 27.98 1br4 h GLN 74 CO -0.09 0.07 -0.01 1.79 -1.50 0.00 0.00 178.83 179.09 1br4 h THR 75 N -0.31 0.52 -0.48 -0.54 1.35 -1.45 0.15 112.91 112.16 1br4 h THR 75 Ca -0.01 -0.04 -0.11 0.00 -0.55 0.00 0.00 66.41 65.70 1br4 h THR 75 Cb 0.26 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.06 1br4 h THR 75 CO 0.02 0.02 -0.14 0.40 -0.25 0.00 0.00 175.52 175.57 1br4 h ILE 76 N 0.11 1.27 -0.07 6.82 2.04 -1.13 -2.59 117.51 123.96 1br4 h ILE 76 Ca 0.30 -1.29 0.02 0.00 1.00 0.00 0.00 64.86 64.90 1br4 h ILE 76 Cb 0.48 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1br4 h ILE 76 CO -0.50 0.44 0.09 0.00 0.00 0.00 0.00 178.15 178.18 1br4 h ALA 77 N 0.88 1.56 -3.40 1.87 0.00 0.16 -3.36 119.26 116.96 1br4 h ALA 77 Ca 0.12 -0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.34 1br4 h ALA 77 Cb 0.70 0.01 -0.32 0.00 0.00 0.00 0.00 17.79 18.18 1br4 h ALA 77 CO 0.05 -0.13 -0.67 0.15 0.00 0.00 0.00 179.25 178.66 1br4 s LYS 78 N -4.55 2.45 0.00 0.00 1.02 0.33 -5.05 119.74 113.94 1br4 s LYS 78 Ca -0.05 -1.27 0.00 0.00 0.02 0.00 0.00 55.97 54.67 1br4 s LYS 78 Cb 0.15 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 1br4 s LYS 78 CO 0.52 -0.66 0.00 0.09 -0.92 0.00 0.00 175.35 174.38 1br4 n ASN 79 N 4.67 0.01 0.00 2.83 3.02 -1.26 -4.82 115.26 119.70 1br4 n ASN 79 Ca -0.12 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.42 1br4 n ASN 79 Cb 0.44 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1br4 n ASN 79 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1br4 n LYS 80 N 0.00 0.02 -4.42 3.52 0.00 -1.26 -5.11 118.16 110.90 1br4 n LYS 80 Ca 0.00 0.01 -0.24 0.00 -0.00 0.00 0.00 58.31 58.08 1br4 n LYS 80 Cb 0.00 -0.53 -0.09 0.00 -0.00 0.00 0.00 35.03 34.41 1br4 n LYS 80 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1br4 s ASP 81 N -5.22 3.87 -0.26 -5.58 2.15 -1.26 -5.13 116.67 105.24 1br4 s ASP 81 Ca -0.01 -0.95 -0.08 0.00 0.43 0.00 0.00 52.55 51.94 1br4 s ASP 81 Cb 0.00 -0.45 0.12 0.00 -0.30 0.00 0.00 42.92 42.30 1br4 s ASP 81 CO 0.01 -0.01 0.55 -1.10 -0.17 0.00 0.00 175.17 174.46 1br4 s GLN 82 N -3.57 0.48 1.02 4.34 1.11 -1.26 -5.16 119.66 116.62 1br4 s GLN 82 Ca 0.31 1.22 -0.16 0.00 0.01 0.00 0.00 55.36 56.75 1br4 s GLN 82 Cb -0.04 0.59 0.05 0.00 -1.01 0.00 0.00 33.01 32.60 1br4 s GLN 82 CO 0.17 -0.28 0.15 0.41 0.01 0.00 0.00 175.29 175.75 1br4 n GLY 83 N 5.42 -2.35 3.57 3.09 0.00 -1.26 -5.05 105.19 108.62 1br4 n GLY 83 Ca -0.09 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 1br4 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1br4 n PHE 85 N -0.38 0.00 -0.04 0.00 7.35 -1.26 0.28 117.46 123.41 1br4 n PHE 85 Ca -0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.58 1br4 n PHE 85 Cb 0.62 -0.23 0.01 0.00 0.35 0.00 0.00 39.48 40.23 1br4 n PHE 85 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1br4 n GLU 86 N -2.36 -0.01 -0.07 -4.13 4.71 -1.26 -1.11 120.64 116.41 1br4 n GLU 86 Ca 0.00 0.15 -0.10 0.00 -0.01 0.00 0.00 57.16 57.20 1br4 n GLU 86 Cb 0.00 -0.23 -0.06 0.00 -1.01 0.00 0.00 31.44 30.14 1br4 n GLU 86 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1br4 n ASP 87 N -4.16 2.76 -0.03 1.62 8.00 0.11 -4.18 116.55 120.67 1br4 n ASP 87 Ca 0.01 -0.05 -0.01 0.00 0.71 0.00 0.00 54.79 55.45 1br4 n ASP 87 Cb 0.05 -0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 40.90 1br4 n ASP 87 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1br4 h TYR 88 N -0.05 -0.18 -0.42 1.24 0.05 0.56 -1.63 116.97 116.53 1br4 h TYR 88 Ca -0.31 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.51 1br4 h TYR 88 Cb 1.45 0.09 -0.03 0.00 1.01 0.00 0.00 36.73 39.25 1br4 h TYR 88 CO 0.01 -0.04 0.22 -0.39 -1.05 0.00 0.00 178.16 176.91 1br4 h VAL 89 N -0.02 1.00 -0.43 -2.88 -1.51 -1.55 -2.90 116.25 107.95 1br4 h VAL 89 Ca 0.01 -0.15 0.08 0.00 -1.23 0.00 0.00 66.70 65.41 1br4 h VAL 89 Cb 0.05 0.51 -0.08 0.00 -2.13 0.00 0.00 31.29 29.64 1br4 h VAL 89 CO -0.08 0.08 -0.11 1.21 -1.23 0.00 0.00 177.57 177.44 1br4 n GLU 90 N -4.89 -0.04 0.09 5.19 2.13 -0.64 0.57 120.64 123.04 1br4 n GLU 90 Ca 0.02 0.67 -0.05 0.00 0.66 0.00 0.00 57.16 58.46 1br4 n GLU 90 Cb 0.09 -1.00 0.13 0.00 0.27 0.00 0.00 31.44 30.92 1br4 n GLU 90 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1br4 h GLY 91 N 0.00 0.24 2.00 8.31 0.00 -1.26 -2.97 103.07 109.38 1br4 h GLY 91 Ca 0.20 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 1br4 h GLY 91 CO -0.44 0.26 -0.39 1.41 0.00 0.00 0.00 176.54 177.38 1br4 h LEU 92 N 0.16 0.00 -0.57 3.11 3.38 1.55 -2.93 115.31 120.01 1br4 h LEU 92 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1br4 h LEU 92 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1br4 h LEU 92 CO 0.09 0.39 -0.31 -0.09 0.09 0.00 0.00 178.44 178.61 1br4 h ARG 93 N 0.00 0.81 -0.04 1.13 2.43 0.02 -3.12 114.38 115.61 1br4 h ARG 93 Ca -0.00 -0.38 0.01 0.00 -0.81 0.00 0.00 59.98 58.80 1br4 h ARG 93 Cb 0.72 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1br4 h ARG 93 CO 0.05 1.01 0.34 0.28 -1.51 0.00 0.00 179.97 180.14 1br4 h VAL 94 N 0.68 0.05 -0.01 0.20 2.07 -1.48 0.29 116.25 118.04 1br4 h VAL 94 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1br4 h VAL 94 Cb 0.86 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1br4 h VAL 94 CO 0.08 0.00 -0.29 0.49 0.02 0.00 0.00 177.57 177.87 1br4 n PHE 95 N -2.99 0.00 -1.54 1.57 3.72 -1.18 -4.93 117.46 112.11 1br4 n PHE 95 Ca -0.01 0.00 -0.50 0.00 -0.05 0.00 0.00 57.45 56.89 1br4 n PHE 95 Cb 0.40 -0.06 -0.06 0.00 -0.94 0.00 0.00 39.48 38.82 1br4 n PHE 95 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1br4 n ASP 96 N -0.19 2.61 -0.12 4.37 -0.08 0.10 -4.85 116.55 118.39 1br4 n ASP 96 Ca 0.12 0.57 -0.03 0.00 -1.51 0.00 0.00 54.79 53.94 1br4 n ASP 96 Cb 0.41 -1.32 -0.03 0.00 2.34 0.00 0.00 41.12 42.53 1br4 n ASP 96 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1br4 n LYS 97 N 7.68 -0.12 -1.57 -0.67 3.00 -1.26 -3.58 118.16 121.63 1br4 n LYS 97 Ca 0.34 0.80 0.01 0.00 -0.00 0.00 0.00 58.31 59.46 1br4 n LYS 97 Cb 0.27 -1.19 0.01 0.00 0.00 0.00 0.00 35.03 34.11 1br4 n LYS 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1br4 n GLU 98 N -3.59 0.22 -1.49 1.64 4.71 -1.26 -4.96 120.64 115.90 1br4 n GLU 98 Ca 0.01 -1.91 0.00 0.00 -0.01 0.00 0.00 57.16 55.24 1br4 n GLU 98 Cb 0.07 -0.04 0.00 0.00 -1.01 0.00 0.00 31.44 30.46 1br4 n GLU 98 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1br4 n GLY 99 N 0.21 0.89 0.00 0.62 0.00 -1.23 -4.94 105.19 100.73 1br4 n GLY 99 Ca -0.02 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.48 1br4 n GLY 99 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1br4 n ASN 100 N 1.31 0.00 -0.44 1.61 3.02 -1.26 -4.79 115.26 114.72 1br4 n ASN 100 Ca 0.00 -0.19 -0.06 0.00 -0.03 0.00 0.00 54.58 54.30 1br4 n ASN 100 Cb 0.35 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 1br4 n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1br4 n GLY 101 N -0.13 0.55 3.38 7.41 0.00 -1.26 -4.88 105.19 110.25 1br4 n GLY 101 Ca 0.09 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 1br4 n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1br4 s THR 102 N -1.50 -0.01 0.56 2.61 -4.23 -1.26 -4.29 115.64 107.52 1br4 s THR 102 Ca 0.00 0.03 0.09 0.00 -1.18 0.00 0.00 61.69 60.63 1br4 s THR 102 Cb 0.00 -0.70 0.09 0.00 1.34 0.00 0.00 72.50 73.23 1br4 s THR 102 CO 0.00 0.01 0.72 0.52 -0.54 0.00 0.00 174.62 175.33 1br4 n VAL 103 N 3.52 0.00 -2.73 2.29 0.31 -1.13 -4.52 118.33 116.08 1br4 n VAL 103 Ca -0.18 -1.93 -0.20 0.00 -0.01 0.00 0.00 64.34 62.02 1br4 n VAL 103 Cb 0.56 -0.44 0.10 0.00 -0.91 0.00 0.00 33.84 33.15 1br4 n VAL 103 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1br4 n MET 104 N -2.15 0.15 0.17 5.55 2.81 -1.26 -0.57 117.12 121.82 1br4 n MET 104 Ca 0.13 -2.65 0.09 0.00 -1.81 0.00 0.00 57.70 53.47 1br4 n MET 104 Cb 0.59 -0.50 0.09 0.00 -0.71 0.00 0.00 33.22 32.69 1br4 n MET 104 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1br4 h GLY 105 N -0.35 0.00 0.10 3.03 0.00 -1.89 -3.15 103.07 100.80 1br4 h GLY 105 Ca -0.29 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.74 1br4 h GLY 105 CO 0.34 0.00 -1.65 0.00 0.00 0.00 0.00 176.54 175.23 1br4 n ALA 106 N -2.16 0.89 -0.27 3.60 0.00 -1.26 -2.53 120.51 118.78 1br4 n ALA 106 Ca 0.02 -0.63 0.07 0.00 0.00 0.00 0.00 53.44 52.90 1br4 n ALA 106 Cb 0.59 -0.45 0.22 0.00 0.00 0.00 0.00 19.45 19.81 1br4 n ALA 106 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1br4 h GLU 107 N -0.79 0.45 0.21 0.00 4.57 -1.98 0.55 114.58 117.59 1br4 h GLU 107 Ca -0.43 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 1br4 h GLU 107 Cb 1.50 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.99 1br4 h GLU 107 CO -0.20 0.30 -0.10 0.82 -1.18 0.00 0.00 179.01 178.65 1br4 h ILE 108 N 0.46 0.77 -0.22 2.32 1.08 -1.72 -2.74 117.51 117.46 1br4 h ILE 108 Ca 0.45 -0.96 0.05 0.00 -0.39 0.00 0.00 64.86 64.01 1br4 h ILE 108 Cb 0.71 1.24 -0.05 0.00 -3.07 0.00 0.00 36.82 35.66 1br4 h ILE 108 CO -0.42 0.18 -0.10 0.03 -0.69 0.00 0.00 178.15 177.15 1br4 h ARG 109 N -0.84 -0.07 -0.07 2.37 3.08 -1.14 -0.92 114.38 116.79 1br4 h ARG 109 Ca -0.03 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1br4 h ARG 109 Cb 0.51 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 1br4 h ARG 109 CO 0.05 -0.05 -0.16 1.25 -1.07 0.00 0.00 179.97 179.99 1br4 h HIS 110 N -0.07 -0.42 0.58 3.04 2.76 -0.02 -2.81 115.15 118.21 1br4 h HIS 110 Ca 0.12 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 1br4 h HIS 110 Cb 0.25 0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.39 1br4 h HIS 110 CO -0.27 -0.23 -0.51 0.28 -1.30 0.00 0.00 177.93 175.90 1br4 h VAL 111 N -0.23 0.00 0.00 5.26 2.07 -1.19 -2.04 116.25 120.12 1br4 h VAL 111 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1br4 h VAL 111 Cb 0.34 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1br4 h VAL 111 CO -0.21 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.56 1br4 n LEU 112 N -5.59 0.00 -1.94 2.57 4.77 -0.37 -1.73 117.00 114.71 1br4 n LEU 112 Ca -0.13 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.87 1br4 n LEU 112 Cb 0.48 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1br4 n LEU 112 CO 0.29 0.00 0.07 0.52 -1.33 0.00 0.00 177.39 176.93 1br4 n VAL 113 N -0.92 0.41 -1.51 4.08 0.31 -0.81 -2.04 118.33 117.85 1br4 n VAL 113 Ca 0.00 -1.56 0.00 0.00 -0.01 0.00 0.00 64.34 62.77 1br4 n VAL 113 Cb 0.00 1.07 0.00 0.00 -0.91 0.00 0.00 33.84 34.00 1br4 n VAL 113 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1br4 n THR 114 N 0.06 0.00 -4.28 2.52 -1.04 -0.71 -4.88 114.28 105.96 1br4 n THR 114 Ca 0.04 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.76 1br4 n THR 114 Cb 1.01 0.11 -0.17 0.00 -1.82 0.00 0.00 70.33 69.46 1br4 n THR 114 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1br4 s LEU 115 N 0.00 1.65 0.00 -4.42 1.02 -0.83 -5.03 118.68 111.06 1br4 s LEU 115 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 53.73 1br4 s LEU 115 Cb 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 46.19 45.13 1br4 s LEU 115 CO 0.00 -0.02 0.00 0.61 0.02 0.00 0.00 176.35 176.96 1br4 n GLY 116 N 4.43 2.95 3.52 -3.19 0.00 -1.26 -3.98 105.19 107.66 1br4 n GLY 116 Ca -0.18 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 1br4 n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1br4 n GLU 117 N 14.00 1.00 -1.67 1.61 -0.58 -1.26 -4.89 120.64 128.85 1br4 n GLU 117 Ca 0.00 -2.06 -0.44 0.00 -0.42 0.00 0.00 57.16 54.24 1br4 n GLU 117 Cb 0.00 -3.63 -0.04 0.00 -0.57 0.00 0.00 31.44 27.21 1br4 n GLU 117 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1br4 n LYS 118 N 8.08 2.63 -3.15 3.49 5.02 -1.26 -4.94 118.16 128.04 1br4 n LYS 118 Ca 0.44 0.96 -0.39 0.00 -2.02 0.00 0.00 58.31 57.31 1br4 n LYS 118 Cb 0.46 -2.87 -0.06 0.00 -0.02 0.00 0.00 35.03 32.54 1br4 n LYS 118 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1br4 s MET 119 N 3.98 4.36 0.67 1.97 -1.94 -0.87 -4.98 119.30 122.49 1br4 s MET 119 Ca 0.89 0.85 -0.17 0.00 -1.71 0.00 0.00 55.69 55.55 1br4 s MET 119 Cb -0.53 -3.32 -0.00 0.00 2.01 0.00 0.00 34.83 33.00 1br4 s MET 119 CO 0.44 0.43 1.27 -2.37 -0.01 0.00 0.00 175.02 174.78 1br4 n THR 120 N 2.40 4.57 -0.24 2.05 5.66 -1.26 -4.50 114.28 122.96 1br4 n THR 120 Ca -0.07 -0.46 0.14 0.00 -3.05 0.00 0.00 64.05 60.61 1br4 n THR 120 Cb 0.50 -1.44 0.27 0.00 -1.55 0.00 0.00 70.33 68.12 1br4 n THR 120 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1br4 n GLU 121 N -2.04 -0.05 0.00 1.09 0.00 -1.26 -0.26 120.64 118.12 1br4 n GLU 121 Ca 0.16 1.05 0.00 0.00 0.00 0.00 0.00 57.16 58.36 1br4 n GLU 121 Cb 0.48 -1.72 0.00 0.00 0.00 0.00 0.00 31.44 30.20 1br4 n GLU 121 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1br4 n GLU 122 N -4.87 0.00 -0.20 3.44 -0.58 -1.26 -1.36 120.64 115.82 1br4 n GLU 122 Ca 0.20 0.52 0.02 0.00 -0.42 0.00 0.00 57.16 57.48 1br4 n GLU 122 Cb 0.66 -1.44 0.06 0.00 -0.57 0.00 0.00 31.44 30.15 1br4 n GLU 122 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1br4 n GLU 123 N -1.97 -0.08 -0.04 3.49 1.02 0.64 0.45 120.64 124.16 1br4 n GLU 123 Ca 0.00 0.83 -0.13 0.00 -0.02 0.00 0.00 57.16 57.85 1br4 n GLU 123 Cb 0.00 -1.24 -0.08 0.00 -0.02 0.00 0.00 31.44 30.10 1br4 n GLU 123 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1br4 h VAL 124 N 0.00 1.34 0.83 2.62 -1.51 -1.44 -1.59 116.25 116.50 1br4 h VAL 124 Ca 0.23 -1.16 -0.04 0.00 -1.23 0.00 0.00 66.70 64.50 1br4 h VAL 124 Cb 0.37 1.89 0.01 0.00 -2.13 0.00 0.00 31.29 31.43 1br4 h VAL 124 CO -0.55 0.33 -0.40 -0.08 -1.23 0.00 0.00 177.57 175.65 1br4 h GLU 125 N -0.15 -1.07 0.00 5.19 4.57 0.13 -2.80 114.58 120.45 1br4 h GLU 125 Ca 0.02 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1br4 h GLU 125 Cb 0.56 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 1br4 h GLU 125 CO 0.02 -0.71 0.00 -0.56 -1.18 0.00 0.00 179.01 176.58 1br4 h GLN 126 N -1.18 0.00 -0.10 1.92 3.07 -0.86 0.23 115.11 118.19 1br4 h GLN 126 Ca -0.11 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.54 1br4 h GLN 126 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.42 1br4 h GLN 126 CO 0.19 0.00 -0.29 1.25 0.09 0.00 0.00 178.83 180.07 1br4 h LEU 127 N 0.00 0.43 0.00 0.06 5.85 -1.16 -3.31 115.31 117.18 1br4 h LEU 127 Ca 0.00 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.12 1br4 h LEU 127 Cb 0.47 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1br4 h LEU 127 CO 0.00 0.95 -1.33 1.33 -0.34 0.00 0.00 178.44 179.05 1br4 n VAL 128 N -4.43 0.00 -1.51 1.05 0.24 -1.07 -4.93 118.33 107.68 1br4 n VAL 128 Ca -0.07 -0.17 -0.30 0.00 -2.04 0.00 0.00 64.34 61.76 1br4 n VAL 128 Cb 0.47 0.67 -0.16 0.00 -1.47 0.00 0.00 33.84 33.34 1br4 n VAL 128 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1br4 n ALA 129 N -1.75 0.70 0.00 2.33 0.00 0.80 0.54 120.51 123.12 1br4 n ALA 129 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1br4 n ALA 129 Cb 0.41 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1br4 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1br4 n GLY 130 N 6.07 1.07 0.08 0.00 0.00 -1.26 -4.97 105.19 106.17 1br4 n GLY 130 Ca 0.62 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.68 1br4 n GLY 130 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1br4 n HIS 131 N 0.00 0.59 -2.60 1.61 -0.00 0.19 -4.85 115.22 110.16 1br4 n HIS 131 Ca 0.00 0.19 -0.42 0.00 -0.00 0.00 0.00 57.72 57.49 1br4 n HIS 131 Cb 0.00 -0.90 -0.03 0.00 -0.00 0.00 0.00 29.99 29.06 1br4 n HIS 131 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 1br4 s GLU 132 N -3.10 4.41 0.00 -0.41 -1.05 -1.24 -4.13 118.70 113.18 1br4 s GLU 132 Ca -0.05 1.50 0.00 0.00 -0.15 0.00 0.00 54.97 56.27 1br4 s GLU 132 Cb 0.10 -3.53 0.00 0.00 -0.44 0.00 0.00 34.13 30.25 1br4 s GLU 132 CO 0.83 -0.34 0.00 -0.40 0.95 0.00 0.00 175.26 176.31 1br4 n ASP 133 N 4.95 0.00 0.16 0.83 5.75 -0.84 -4.69 116.55 122.71 1br4 n ASP 133 Ca 0.09 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.73 1br4 n ASP 133 Cb 0.48 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.49 1br4 n ASP 133 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1br4 h SER 134 N 0.00 -0.31 0.29 -1.12 4.64 -1.96 -0.85 113.55 114.25 1br4 h SER 134 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1br4 h SER 134 Cb 0.00 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1br4 h SER 134 CO 0.00 -0.10 0.00 0.59 -0.87 0.00 0.00 176.83 176.45 1br4 n ASN 135 N -5.19 0.00 -2.28 4.97 5.03 -1.26 -4.89 115.26 111.65 1br4 n ASN 135 Ca -0.10 -0.29 -0.08 0.00 0.87 0.00 0.00 54.58 54.98 1br4 n ASN 135 Cb 0.21 -0.19 0.04 0.00 -1.02 0.00 0.00 39.78 38.82 1br4 n ASN 135 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1br4 n GLY 136 N 0.64 -0.02 3.50 7.41 0.00 -0.32 -4.97 105.19 111.43 1br4 n GLY 136 Ca 0.14 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1br4 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1br4 s ILE 138 N -0.89 1.91 -0.09 0.00 1.01 0.27 -1.99 121.20 121.41 1br4 s ILE 138 Ca 0.14 -1.56 -0.29 0.00 0.00 0.00 0.00 60.65 58.94 1br4 s ILE 138 Cb -0.11 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 1br4 s ILE 138 CO 0.04 -0.14 1.77 0.21 0.00 0.00 0.00 174.94 176.82 1br4 s ASN 139 N 1.20 6.43 0.07 3.58 3.04 -1.26 -2.84 114.94 125.15 1br4 s ASN 139 Ca -0.05 2.14 -0.18 0.00 0.04 0.00 0.00 52.86 54.81 1br4 s ASN 139 Cb -0.19 -2.53 -0.11 0.00 -1.54 0.00 0.00 41.25 36.87 1br4 s ASN 139 CO -0.06 -1.14 1.39 0.10 -3.04 0.00 0.00 177.10 174.34 1br4 h TYR 140 N 10.62 0.60 0.00 0.43 -0.00 -1.92 -0.36 116.97 126.34 1br4 h TYR 140 Ca -0.40 -0.17 0.00 0.00 0.00 0.00 0.00 58.73 58.15 1br4 h TYR 140 Cb 1.19 -0.13 0.00 0.00 0.00 0.00 0.00 36.73 37.79 1br4 h TYR 140 CO 0.91 0.84 0.00 0.39 -0.00 0.00 0.00 178.16 180.30 1br4 n GLU 141 N -4.44 0.00 0.00 0.10 1.02 -1.26 -0.44 120.64 115.61 1br4 n GLU 141 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1br4 n GLU 141 Cb 0.40 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 1br4 n GLU 141 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1br4 n GLU 142 N 0.40 1.73 -0.04 3.49 -0.58 -1.12 -4.87 120.64 119.65 1br4 n GLU 142 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 1br4 n GLU 142 Cb 0.00 -0.17 -0.12 0.00 -0.57 0.00 0.00 31.44 30.58 1br4 n GLU 142 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1br4 h LEU 143 N 0.00 0.04 -0.81 -4.62 5.85 0.10 -2.94 115.31 112.94 1br4 h LEU 143 Ca 0.00 -0.76 0.07 0.00 0.84 0.00 0.00 57.88 58.02 1br4 h LEU 143 Cb 0.00 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 1br4 h LEU 143 CO 0.00 0.80 0.48 0.58 -0.34 0.00 0.00 178.44 179.97 1br4 h VAL 144 N -0.71 1.00 -0.71 1.05 2.07 -1.74 -1.71 116.25 115.51 1br4 h VAL 144 Ca -0.01 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1br4 h VAL 144 Cb 0.81 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1br4 h VAL 144 CO 0.01 0.16 0.41 0.03 0.02 0.00 0.00 177.57 178.20 1br4 h ARG 145 N 0.87 0.96 0.00 1.57 3.08 -1.78 0.18 114.38 119.26 1br4 h ARG 145 Ca 0.36 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 1br4 h ARG 145 Cb 0.21 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1br4 h ARG 145 CO -0.19 0.69 -0.13 1.98 -1.07 0.00 0.00 179.97 181.25 1br4 h MET 146 N 0.98 0.00 0.03 0.04 4.05 -1.12 0.35 114.93 119.26 1br4 h MET 146 Ca 0.25 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 59.31 1br4 h MET 146 Cb -0.01 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.73 1br4 h MET 146 CO -0.04 0.13 -2.23 1.33 0.23 0.00 0.00 176.91 176.33 1br4 n VAL 147 N -3.66 1.54 0.00 -5.77 0.24 -0.77 -3.52 118.33 106.39 1br4 n VAL 147 Ca -0.02 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 1br4 n VAL 147 Cb 0.25 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.48 1br4 n VAL 147 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1br4 n LEU 148 N -3.12 0.63 0.28 1.34 4.32 0.56 -4.06 117.00 116.94 1br4 n LEU 148 Ca -0.35 0.47 0.12 0.00 -0.02 0.00 0.00 56.01 56.23 1br4 n LEU 148 Cb 1.06 -0.37 0.79 0.00 -1.62 0.00 0.00 43.42 43.28 1br4 n LEU 148 CO 0.37 -0.37 1.07 0.28 -1.22 0.00 0.00 177.39 177.52 1br4 h SER 149 N 0.00 0.00 0.00 -1.43 0.02 -1.16 -3.50 113.55 107.48 1br4 h SER 149 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1br4 h SER 149 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1br4 h SER 149 CO 0.00 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.34