#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cm4 s THR 5 N 0.00 1.92 0.18 1.96 -4.23 -1.26 -4.80 115.64 109.40 1cm4 s THR 5 Ca 0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.38 1cm4 s THR 5 Cb 0.00 -2.81 0.10 0.00 1.34 0.00 0.00 72.50 71.12 1cm4 s THR 5 CO 0.00 0.00 1.72 -0.08 -0.54 0.00 0.00 174.62 175.72 1cm4 h GLU 6 N -1.73 0.24 -0.32 3.99 4.81 -2.05 -1.86 114.58 117.66 1cm4 h GLU 6 Ca -0.47 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 58.60 1cm4 h GLU 6 Cb 1.29 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1cm4 h GLU 6 CO 0.48 0.16 -0.41 1.05 -0.73 0.00 0.00 179.01 179.56 1cm4 h GLU 7 N 0.25 0.83 -0.36 1.92 4.11 -1.98 -2.80 114.58 116.54 1cm4 h GLU 7 Ca 0.24 -0.47 -0.02 0.00 0.07 0.00 0.00 59.36 59.18 1cm4 h GLU 7 Cb 0.30 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1cm4 h GLU 7 CO -0.30 1.11 0.17 1.96 0.07 0.00 0.00 179.01 182.02 1cm4 h GLN 8 N 0.61 0.53 -0.14 1.06 4.20 -1.79 0.77 115.11 120.34 1cm4 h GLN 8 Ca 0.04 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 1cm4 h GLN 8 Cb 1.00 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1cm4 h GLN 8 CO 0.10 0.49 -0.51 0.82 -0.67 0.00 0.00 178.83 179.05 1cm4 h ILE 9 N 0.45 1.34 -0.07 2.54 2.04 -1.45 -1.46 117.51 120.89 1cm4 h ILE 9 Ca 0.12 -1.76 -0.09 0.00 1.00 0.00 0.00 64.86 64.13 1cm4 h ILE 9 Cb 0.14 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1cm4 h ILE 9 CO -0.01 0.53 -0.38 0.00 0.00 0.00 0.00 178.15 178.29 1cm4 h ALA 10 N 1.14 1.22 -0.08 1.87 0.00 -1.23 -1.24 119.26 120.94 1cm4 h ALA 10 Ca 0.01 -0.38 -0.20 0.00 0.00 0.00 0.00 54.91 54.35 1cm4 h ALA 10 Cb 1.01 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1cm4 h ALA 10 CO 0.09 0.54 -0.71 0.93 0.00 0.00 0.00 179.25 180.10 1cm4 h GLU 11 N 0.13 0.62 0.00 0.00 5.08 -0.68 -3.10 114.58 116.63 1cm4 h GLU 11 Ca 0.01 -0.56 -0.08 0.00 -1.00 0.00 0.00 59.36 57.73 1cm4 h GLU 11 Cb 0.74 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1cm4 h GLU 11 CO 0.06 1.18 -0.38 0.74 -1.00 0.00 0.00 179.01 179.61 1cm4 h PHE 12 N 0.26 0.00 -0.53 4.33 0.04 -1.18 -2.36 116.94 117.50 1cm4 h PHE 12 Ca -0.07 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.62 1cm4 h PHE 12 Cb 1.37 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.49 1cm4 h PHE 12 CO 0.11 0.38 -0.01 -0.22 -0.60 0.00 0.00 178.31 177.96 1cm4 h LYS 13 N 0.00 0.91 -0.28 1.51 3.64 -1.25 0.24 116.57 121.35 1cm4 h LYS 13 Ca -0.00 -0.27 -0.16 0.00 -1.27 0.00 0.00 60.65 58.95 1cm4 h LYS 13 Cb 0.74 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1cm4 h LYS 13 CO 0.05 0.91 -0.46 1.49 -2.27 0.00 0.00 179.45 179.17 1cm4 h GLU 14 N 0.84 0.73 -0.34 1.90 4.57 -1.40 -1.99 114.58 118.89 1cm4 h GLU 14 Ca 0.15 -0.41 -0.12 0.00 -1.18 0.00 0.00 59.36 57.81 1cm4 h GLU 14 Cb 0.51 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1cm4 h GLU 14 CO 0.03 1.03 -0.27 0.00 -1.18 0.00 0.00 179.01 178.62 1cm4 h ALA 15 N 0.90 0.89 -0.06 2.92 0.00 -1.19 -2.93 119.26 119.80 1cm4 h ALA 15 Ca 0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1cm4 h ALA 15 Cb 1.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1cm4 h ALA 15 CO 0.10 0.63 0.03 0.35 0.00 0.00 0.00 179.25 180.35 1cm4 h PHE 16 N 0.61 0.08 0.00 0.00 3.57 -0.85 -2.60 116.94 117.75 1cm4 h PHE 16 Ca 0.08 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1cm4 h PHE 16 Cb 0.77 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 1cm4 h PHE 16 CO 0.04 0.13 -0.02 0.77 -2.23 0.00 0.00 178.31 176.99 1cm4 h SER 17 N 0.01 0.00 1.05 0.41 0.02 -1.29 0.14 113.55 113.88 1cm4 h SER 17 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1cm4 h SER 17 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1cm4 h SER 17 CO -0.00 0.02 -0.79 -0.07 -1.14 0.00 0.00 176.83 174.85 1cm4 h LEU 18 N 0.00 0.00 0.00 5.07 3.38 -1.31 -3.27 115.31 119.19 1cm4 h LEU 18 Ca -0.00 -0.07 -0.27 0.00 0.09 0.00 0.00 57.88 57.63 1cm4 h LEU 18 Cb 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1cm4 h LEU 18 CO 0.00 0.04 -1.51 -0.26 0.09 0.00 0.00 178.44 176.80 1cm4 h PHE 19 N 0.00 0.02 -2.04 1.13 0.04 -1.00 -3.40 116.94 111.69 1cm4 h PHE 19 Ca 0.00 -0.01 -0.76 0.00 2.80 0.00 0.00 57.97 60.00 1cm4 h PHE 19 Cb 0.92 -0.00 -0.19 0.00 2.20 0.00 0.00 35.95 38.88 1cm4 h PHE 19 CO 0.00 1.02 1.50 -3.47 -0.60 0.00 0.00 178.31 176.76 1cm4 n ASP 20 N -3.14 5.31 0.26 2.17 2.03 0.42 -4.64 116.55 118.95 1cm4 n ASP 20 Ca -0.12 -3.08 0.10 0.00 0.52 0.00 0.00 54.79 52.21 1cm4 n ASP 20 Cb 1.02 -1.49 0.68 0.00 -0.72 0.00 0.00 41.12 40.61 1cm4 n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1cm4 h LYS 21 N 6.35 0.00 0.00 -0.67 1.57 -1.79 -2.52 116.57 119.51 1cm4 h LYS 21 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1cm4 h LYS 21 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1cm4 h LYS 21 CO 1.39 0.11 -1.16 -0.40 -0.57 0.00 0.00 179.45 178.82 1cm4 n ASP 22 N -4.00 0.58 -0.12 0.86 5.68 -1.26 -5.00 116.55 113.29 1cm4 n ASP 22 Ca -0.02 -0.06 -0.01 0.00 -0.50 0.00 0.00 54.79 54.20 1cm4 n ASP 22 Cb 0.20 0.89 -0.00 0.00 -1.14 0.00 0.00 41.12 41.07 1cm4 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cm4 n GLY 23 N 1.31 0.38 0.07 6.12 0.00 -0.95 -4.98 105.19 107.13 1cm4 n GLY 23 Ca 0.01 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.25 1cm4 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cm4 n ASP 24 N 1.79 0.56 0.00 1.61 5.75 -1.26 -4.93 116.55 120.07 1cm4 n ASP 24 Ca -0.01 0.46 0.00 0.00 -0.01 0.00 0.00 54.79 55.23 1cm4 n ASP 24 Cb 0.34 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 1cm4 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cm4 n GLY 25 N 1.37 0.59 3.47 6.12 0.00 -1.26 -5.08 105.19 110.40 1cm4 n GLY 25 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1cm4 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cm4 s THR 26 N -2.00 1.05 -0.29 2.61 -4.23 -1.26 -3.68 115.64 107.83 1cm4 s THR 26 Ca 0.00 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1cm4 s THR 26 Cb 0.00 -2.68 0.04 0.00 1.34 0.00 0.00 72.50 71.20 1cm4 s THR 26 CO 0.00 0.00 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.44 1cm4 s ILE 27 N -3.28 3.02 0.52 2.99 1.01 0.11 -4.68 121.20 120.90 1cm4 s ILE 27 Ca 0.33 -1.29 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 1cm4 s ILE 27 Cb 0.07 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1cm4 s ILE 27 CO 0.15 -0.05 0.83 0.42 0.00 0.00 0.00 174.94 176.29 1cm4 s THR 28 N 1.28 4.58 0.53 2.92 -4.23 -1.26 -2.91 115.64 116.54 1cm4 s THR 28 Ca -0.04 0.20 0.18 0.00 -1.18 0.00 0.00 61.69 60.85 1cm4 s THR 28 Cb -0.19 -3.76 0.29 0.00 1.34 0.00 0.00 72.50 70.18 1cm4 s THR 28 CO -0.01 -0.77 2.14 0.71 -0.54 0.00 0.00 174.62 176.14 1cm4 h THR 29 N 0.09 0.93 -0.12 3.99 1.35 -1.91 -2.05 112.91 115.18 1cm4 h THR 29 Ca -0.46 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.28 1cm4 h THR 29 Cb 1.22 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 1cm4 h THR 29 CO 0.61 0.00 -0.43 0.11 -0.25 0.00 0.00 175.52 175.57 1cm4 h LYS 30 N 0.00 0.29 0.01 4.72 1.57 -1.99 -1.10 116.57 120.07 1cm4 h LYS 30 Ca 0.03 -0.14 -0.20 0.00 -1.87 0.00 0.00 60.65 58.46 1cm4 h LYS 30 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1cm4 h LYS 30 CO -0.00 0.67 -0.93 0.93 -0.57 0.00 0.00 179.45 179.55 1cm4 h GLU 31 N 0.24 0.04 -0.55 3.15 5.08 -1.69 -1.18 114.58 119.67 1cm4 h GLU 31 Ca 0.02 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1cm4 h GLU 31 Cb 0.86 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1cm4 h GLU 31 CO 0.07 0.93 0.02 -0.07 -1.00 0.00 0.00 179.01 178.96 1cm4 h LEU 32 N 0.02 0.95 -0.28 1.33 3.38 -1.29 -2.26 115.31 117.15 1cm4 h LEU 32 Ca -0.02 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.54 1cm4 h LEU 32 Cb 1.62 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1cm4 h LEU 32 CO 0.13 1.01 -0.26 1.23 0.09 0.00 0.00 178.44 180.64 1cm4 h GLY 33 N 0.85 0.73 1.15 0.83 0.00 -1.15 -1.76 103.07 103.73 1cm4 h GLY 33 Ca 0.16 -0.74 -0.12 0.00 0.00 0.00 0.00 47.33 46.64 1cm4 h GLY 33 CO 0.03 0.67 -0.14 -0.84 0.00 0.00 0.00 176.54 176.25 1cm4 h THR 34 N 0.41 1.27 -0.31 4.70 2.02 -1.24 -1.20 112.91 118.55 1cm4 h THR 34 Ca 0.05 -1.30 -0.16 0.00 0.77 0.00 0.00 66.41 65.77 1cm4 h THR 34 Cb 0.82 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1cm4 h THR 34 CO 0.07 0.45 -0.44 0.58 0.37 0.00 0.00 175.52 176.54 1cm4 h VAL 35 N 0.87 1.28 -0.55 3.16 2.07 -1.45 -2.80 116.25 118.84 1cm4 h VAL 35 Ca 0.13 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 1cm4 h VAL 35 Cb 0.70 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1cm4 h VAL 35 CO 0.05 0.53 0.26 0.24 0.02 0.00 0.00 177.57 178.67 1cm4 h MET 36 N 0.64 0.79 0.00 1.57 2.86 -1.07 -2.78 114.93 116.93 1cm4 h MET 36 Ca 0.04 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.45 1cm4 h MET 36 Cb 1.01 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 1cm4 h MET 36 CO 0.10 0.65 -0.54 0.00 1.06 0.00 0.00 176.91 178.18 1cm4 h ARG 37 N 0.73 0.00 0.00 1.72 3.08 -1.19 0.68 114.38 119.41 1cm4 h ARG 37 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1cm4 h ARG 37 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1cm4 h ARG 37 CO -0.02 0.54 0.00 -1.13 -1.07 0.00 0.00 179.97 178.29 1cm4 n SER 38 N -3.65 0.50 -0.64 7.04 3.41 -1.06 -2.53 113.62 116.69 1cm4 n SER 38 Ca -0.01 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.27 1cm4 n SER 38 Cb 0.60 -0.71 0.20 0.00 -0.26 0.00 0.00 64.21 64.04 1cm4 n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1cm4 n LEU 39 N -2.02 3.32 0.00 1.04 4.77 -0.96 -5.01 117.00 118.14 1cm4 n LEU 39 Ca 0.04 -2.78 0.00 0.00 -0.03 0.00 0.00 56.01 53.23 1cm4 n LEU 39 Cb 0.29 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1cm4 n LEU 39 CO 0.22 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 1cm4 n GLY 40 N -0.50 3.33 3.78 -0.72 0.00 -0.93 -5.04 105.19 105.12 1cm4 n GLY 40 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1cm4 n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cm4 s GLN 41 N -0.68 3.40 -0.48 1.61 2.00 0.19 -4.91 119.66 120.79 1cm4 s GLN 41 Ca 0.00 1.54 0.06 0.00 -2.00 0.00 0.00 55.36 54.96 1cm4 s GLN 41 Cb 0.00 -2.02 0.22 0.00 0.80 0.00 0.00 33.01 32.01 1cm4 s GLN 41 CO 0.00 -0.79 0.52 -1.71 -0.50 0.00 0.00 175.29 172.81 1cm4 n ASN 42 N -1.33 1.01 -4.82 6.67 2.85 -1.26 -3.21 115.26 115.16 1cm4 n ASN 42 Ca 0.11 -2.81 -0.30 0.00 -0.11 0.00 0.00 54.58 51.46 1cm4 n ASN 42 Cb 0.51 -0.64 0.07 0.00 1.24 0.00 0.00 39.78 40.97 1cm4 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1cm4 s PRO 43 N -1.16 2.44 0.55 1.20 0.04 -1.26 -5.08 135.00 131.72 1cm4 s PRO 43 Ca 0.34 0.67 0.06 0.00 0.04 0.00 0.00 61.00 62.11 1cm4 s PRO 43 Cb 0.11 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.76 1cm4 s PRO 43 CO -0.12 -1.38 0.75 0.95 0.04 0.00 0.00 177.00 177.25 1cm4 s THR 44 N -3.17 2.51 0.22 1.26 -4.23 -1.26 -4.98 115.64 105.98 1cm4 s THR 44 Ca 0.60 -0.87 -0.07 0.00 -1.18 0.00 0.00 61.69 60.16 1cm4 s THR 44 Cb -0.14 -2.64 0.17 0.00 1.34 0.00 0.00 72.50 71.23 1cm4 s THR 44 CO 0.54 0.00 1.79 1.05 -0.54 0.00 0.00 174.62 177.46 1cm4 h GLU 45 N 0.18 1.21 -0.09 3.99 9.09 -1.99 -2.59 114.58 124.39 1cm4 h GLU 45 Ca -0.36 -0.20 -0.11 0.00 0.05 0.00 0.00 59.36 58.74 1cm4 h GLU 45 Cb 1.28 -0.20 -0.01 0.00 -1.65 0.00 0.00 28.75 28.17 1cm4 h GLU 45 CO 0.44 0.96 -0.42 0.00 0.05 0.00 0.00 179.01 180.04 1cm4 h ALA 46 N 1.19 1.13 -0.19 1.06 0.00 -1.98 0.11 119.26 120.58 1cm4 h ALA 46 Ca 0.28 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1cm4 h ALA 46 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1cm4 h ALA 46 CO -0.03 0.59 0.00 0.93 0.00 0.00 0.00 179.25 180.74 1cm4 h GLU 47 N 0.16 0.34 -0.15 0.00 5.08 -1.92 -2.04 114.58 116.05 1cm4 h GLU 47 Ca 0.01 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 1cm4 h GLU 47 Cb 0.82 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1cm4 h GLU 47 CO 0.06 0.54 -0.50 -0.07 -1.00 0.00 0.00 179.01 178.04 1cm4 h LEU 48 N 0.10 0.43 -0.40 1.33 3.38 -1.22 -0.40 115.31 118.53 1cm4 h LEU 48 Ca 0.05 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 1cm4 h LEU 48 Cb 0.39 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1cm4 h LEU 48 CO 0.01 0.86 -0.30 -0.61 0.09 0.00 0.00 178.44 178.50 1cm4 h GLN 49 N 0.32 0.91 0.00 1.13 5.75 -0.79 -2.48 115.11 119.94 1cm4 h GLN 49 Ca 0.01 -0.44 -0.04 0.00 -0.15 0.00 0.00 58.65 58.03 1cm4 h GLN 49 Cb 0.99 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.53 1cm4 h GLN 49 CO 0.09 1.10 -0.18 -0.44 -2.65 0.00 0.00 178.83 176.75 1cm4 h ASP 50 N 0.73 0.00 -0.26 -0.69 3.32 -1.32 -2.57 116.42 115.63 1cm4 h ASP 50 Ca 0.08 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1cm4 h ASP 50 Cb 0.88 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 1cm4 h ASP 50 CO 0.08 0.18 -0.10 -0.03 -1.72 0.00 0.00 179.24 177.64 1cm4 h MET 51 N 0.00 0.66 0.02 3.56 4.05 -0.87 -1.98 114.93 120.37 1cm4 h MET 51 Ca -0.00 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1cm4 h MET 51 Cb 1.09 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 1cm4 h MET 51 CO 0.02 0.75 -0.01 0.82 0.23 0.00 0.00 176.91 178.72 1cm4 h ILE 52 N 0.60 0.00 -0.62 1.77 1.08 -1.47 -3.39 117.51 115.49 1cm4 h ILE 52 Ca 0.11 -0.12 0.18 0.00 -0.39 0.00 0.00 64.86 64.64 1cm4 h ILE 52 Cb 0.53 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 1cm4 h ILE 52 CO 0.03 0.00 0.60 0.78 -0.69 0.00 0.00 178.15 178.87 1cm4 h ASN 53 N -0.15 0.00 -0.31 1.72 -0.26 -1.50 -0.29 115.58 114.79 1cm4 h ASN 53 Ca -0.00 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.62 1cm4 h ASN 53 Cb 0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 1cm4 h ASN 53 CO 0.01 0.00 -0.20 -0.08 -1.06 0.00 0.00 177.43 176.09 1cm4 h GLU 54 N 0.00 0.78 -0.02 0.81 4.81 -1.56 -3.20 114.58 116.21 1cm4 h GLU 54 Ca 0.30 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1cm4 h GLU 54 Cb 1.49 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.82 1cm4 h GLU 54 CO -0.00 0.92 -0.26 1.33 -0.73 0.00 0.00 179.01 180.27 1cm4 n VAL 55 N -4.12 0.00 -2.72 0.32 0.24 -0.24 -4.86 118.33 106.95 1cm4 n VAL 55 Ca 0.00 -0.37 -0.42 0.00 -2.04 0.00 0.00 64.34 61.51 1cm4 n VAL 55 Cb 0.42 1.29 -0.03 0.00 -1.47 0.00 0.00 33.84 34.05 1cm4 n VAL 55 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1cm4 s ASP 56 N -2.00 6.24 0.07 -1.34 2.15 -0.48 -4.78 116.67 116.53 1cm4 s ASP 56 Ca 0.18 -0.53 -0.21 0.00 0.43 0.00 0.00 52.55 52.42 1cm4 s ASP 56 Cb 0.16 -2.48 -0.11 0.00 -0.30 0.00 0.00 42.92 40.18 1cm4 s ASP 56 CO 0.40 -1.52 1.52 0.00 -0.17 0.00 0.00 175.17 175.40 1cm4 h ALA 57 N 9.65 0.23 0.00 3.66 0.00 -1.89 -3.28 119.26 127.63 1cm4 h ALA 57 Ca -0.27 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 1cm4 h ALA 57 Cb 1.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1cm4 h ALA 57 CO 1.19 -0.09 -0.65 0.38 0.00 0.00 0.00 179.25 180.08 1cm4 h ASP 58 N 0.06 0.00 -0.01 0.00 3.04 -1.94 -3.48 116.42 114.09 1cm4 h ASP 58 Ca 0.05 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.84 1cm4 h ASP 58 Cb 0.33 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.62 1cm4 h ASP 58 CO 0.00 0.65 0.00 0.61 -2.04 0.00 0.00 179.24 178.46 1cm4 n GLY 59 N 1.05 1.56 1.46 7.15 0.00 -1.24 -5.01 105.19 110.17 1cm4 n GLY 59 Ca 0.01 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.91 1cm4 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cm4 n ASN 60 N 0.50 4.28 0.00 1.61 6.94 -1.26 -4.96 115.26 122.37 1cm4 n ASN 60 Ca 0.00 -2.22 0.00 0.00 -0.02 0.00 0.00 54.58 52.34 1cm4 n ASN 60 Cb 0.13 -0.53 0.00 0.00 -2.36 0.00 0.00 39.78 37.02 1cm4 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cm4 n GLY 61 N 1.39 1.31 3.42 4.83 0.00 -1.26 -5.03 105.19 109.85 1cm4 n GLY 61 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 1cm4 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cm4 s THR 62 N -3.57 1.38 -0.33 2.61 -4.23 -1.26 -4.79 115.64 105.44 1cm4 s THR 62 Ca 0.00 -2.06 -0.02 0.00 -1.18 0.00 0.00 61.69 58.43 1cm4 s THR 62 Cb 0.00 -2.55 0.06 0.00 1.34 0.00 0.00 72.50 71.35 1cm4 s THR 62 CO 0.00 -0.20 0.06 -0.63 -0.54 0.00 0.00 174.62 173.31 1cm4 s ILE 63 N -3.18 3.14 0.94 2.99 1.01 -1.15 -4.79 121.20 120.16 1cm4 s ILE 63 Ca 0.32 -1.54 -0.14 0.00 0.00 0.00 0.00 60.65 59.29 1cm4 s ILE 63 Cb 0.06 -2.90 0.20 0.00 0.01 0.00 0.00 42.46 39.84 1cm4 s ILE 63 CO 0.13 -0.27 1.29 1.51 0.00 0.00 0.00 174.94 177.60 1cm4 s ASP 64 N 1.40 3.14 0.20 3.58 1.47 -1.26 -0.71 116.67 124.50 1cm4 s ASP 64 Ca -0.01 0.11 -0.07 0.00 1.18 0.00 0.00 52.55 53.76 1cm4 s ASP 64 Cb -0.20 -0.15 0.14 0.00 -0.34 0.00 0.00 42.92 42.37 1cm4 s ASP 64 CO -0.01 -2.70 1.69 0.15 0.68 0.00 0.00 175.17 174.98 1cm4 h PHE 65 N -1.55 1.12 -0.66 2.11 3.57 -1.97 -0.75 116.94 118.82 1cm4 h PHE 65 Ca -0.43 -0.16 0.13 0.00 3.53 0.00 0.00 57.97 61.04 1cm4 h PHE 65 Cb 1.23 -0.30 -0.10 0.00 2.79 0.00 0.00 35.95 39.57 1cm4 h PHE 65 CO -1.17 0.96 0.12 -1.35 -2.23 0.00 0.00 178.31 174.64 1cm4 h PRO 66 N 0.98 0.23 -0.04 6.41 0.11 -1.95 -1.78 132.00 135.96 1cm4 h PRO 66 Ca 0.19 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.18 1cm4 h PRO 66 Cb 0.47 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1cm4 h PRO 66 CO 0.02 0.15 -0.47 0.93 -0.21 0.00 0.00 178.00 178.42 1cm4 h GLU 67 N 0.23 0.09 0.00 1.05 5.08 -1.84 -2.51 114.58 116.68 1cm4 h GLU 67 Ca 0.35 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.59 1cm4 h GLU 67 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1cm4 h GLU 67 CO -0.47 0.54 -0.38 0.35 -1.00 0.00 0.00 179.01 178.05 1cm4 h PHE 68 N 0.07 0.00 -0.14 4.33 3.57 -0.69 0.90 116.94 124.97 1cm4 h PHE 68 Ca 0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 1cm4 h PHE 68 Cb 0.86 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1cm4 h PHE 68 CO 0.01 0.38 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.01 1cm4 h LEU 69 N 0.00 0.32 -0.32 0.59 4.07 -0.90 -0.07 115.31 119.02 1cm4 h LEU 69 Ca -0.00 -0.13 -0.19 0.00 0.08 0.00 0.00 57.88 57.63 1cm4 h LEU 69 Cb 0.81 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 1cm4 h LEU 69 CO 0.05 0.69 -0.85 0.74 -1.08 0.00 0.00 178.44 177.99 1cm4 h THR 70 N 0.26 1.49 -0.00 0.22 2.02 -1.12 -0.67 112.91 115.11 1cm4 h THR 70 Ca 0.03 -2.57 -0.12 0.00 0.77 0.00 0.00 66.41 64.52 1cm4 h THR 70 Cb 0.81 2.43 -0.02 0.00 -1.74 0.00 0.00 68.15 69.63 1cm4 h THR 70 CO 0.06 0.75 -0.55 -0.03 0.37 0.00 0.00 175.52 176.13 1cm4 h MET 71 N 0.11 0.00 0.00 6.66 1.85 -0.63 -3.03 114.93 119.89 1cm4 h MET 71 Ca -0.04 -0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 58.99 1cm4 h MET 71 Cb 1.47 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.49 1cm4 h MET 71 CO 0.13 0.55 -1.14 -1.33 -0.40 0.00 0.00 176.91 174.71 1cm4 n MET 72 N -3.89 0.61 0.27 0.39 2.00 -0.06 -3.28 117.12 113.16 1cm4 n MET 72 Ca -0.01 0.16 -0.11 0.00 0.00 0.00 0.00 57.70 57.74 1cm4 n MET 72 Cb 0.56 -1.82 -0.05 0.00 0.00 0.00 0.00 33.22 31.90 1cm4 n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1cm4 h ALA 73 N 1.80 -0.79 -2.79 3.04 0.00 -1.05 -3.33 119.26 116.14 1cm4 h ALA 73 Ca -0.06 -0.16 -0.74 0.00 0.00 0.00 0.00 54.91 53.95 1cm4 h ALA 73 Cb 1.21 0.28 -0.32 0.00 0.00 0.00 0.00 17.79 18.96 1cm4 h ALA 73 CO 0.02 -0.74 0.07 0.50 0.00 0.00 0.00 179.25 179.10 1cm4 s ARG 74 N -3.98 3.53 0.42 0.00 3.00 -1.15 -5.05 118.95 115.72 1cm4 s ARG 74 Ca -0.11 -3.12 -0.07 0.00 -1.00 0.00 0.00 55.73 51.44 1cm4 s ARG 74 Cb 0.01 -4.16 0.11 0.00 0.00 0.00 0.00 34.95 30.90 1cm4 s ARG 74 CO 0.32 -1.25 0.28 0.36 0.00 0.00 0.00 175.30 175.01 1cm4 n LYS 75 N 2.70 -2.49 -1.78 5.12 2.85 -1.21 -4.75 118.16 118.60 1cm4 n LYS 75 Ca 0.20 -0.47 -0.27 0.00 -1.05 0.00 0.00 58.31 56.73 1cm4 n LYS 75 Cb 0.39 -0.55 -0.05 0.00 -0.65 0.00 0.00 35.03 34.17 1cm4 n LYS 75 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1cm4 s MET 76 N -3.66 2.15 -0.54 -1.58 -2.45 -1.26 -4.89 119.30 107.06 1cm4 s MET 76 Ca 0.21 0.53 -0.21 0.00 -1.25 0.00 0.00 55.69 54.97 1cm4 s MET 76 Cb -0.03 -4.73 0.06 0.00 1.25 0.00 0.00 34.83 31.38 1cm4 s MET 76 CO 0.17 -3.58 0.76 0.15 1.05 0.00 0.00 175.02 173.57 1cm4 s LYS 77 N 7.91 3.17 -1.52 4.11 -0.14 -1.26 -4.57 119.74 127.44 1cm4 s LYS 77 Ca 0.83 -0.76 0.00 0.00 -1.36 0.00 0.00 55.97 54.68 1cm4 s LYS 77 Cb -0.12 -4.12 0.00 0.00 -1.68 0.00 0.00 37.83 31.91 1cm4 s LYS 77 CO 0.12 -1.39 0.00 -0.25 -0.76 0.00 0.00 175.35 173.07 1cm4 n ASP 78 N 6.71 -4.22 0.00 2.83 8.00 -1.26 -4.98 116.55 123.64 1cm4 n ASP 78 Ca -0.04 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1cm4 n ASP 78 Cb 0.46 -3.75 0.00 0.00 -0.02 0.00 0.00 41.12 37.80 1cm4 n ASP 78 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1cm4 n THR 79 N -2.52 0.00 -0.09 -3.53 -2.24 -1.26 -4.39 114.28 100.25 1cm4 n THR 79 Ca -0.16 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1cm4 n THR 79 Cb 0.55 -0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 68.45 1cm4 n THR 79 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1cm4 h ASP 80 N 0.00 0.60 -2.69 3.42 3.32 -1.97 -3.38 116.42 115.73 1cm4 h ASP 80 Ca 0.00 -0.44 -0.59 0.00 0.02 0.00 0.00 57.03 56.03 1cm4 h ASP 80 Cb 0.00 -0.17 -0.39 0.00 0.22 0.00 0.00 39.33 38.99 1cm4 h ASP 80 CO 0.00 0.91 -0.85 -0.44 -1.72 0.00 0.00 179.24 177.15 1cm4 s SER 81 N -6.32 2.91 0.01 6.45 0.01 -1.26 -5.06 113.70 110.44 1cm4 s SER 81 Ca -0.13 -2.34 -0.01 0.00 1.31 0.00 0.00 55.95 54.77 1cm4 s SER 81 Cb 0.08 -0.49 -0.00 0.00 0.21 0.00 0.00 66.02 65.81 1cm4 s SER 81 CO 0.79 -0.29 0.19 1.21 0.41 0.00 0.00 173.24 175.56 1cm4 n GLU 82 N 3.84 -0.02 0.28 12.44 0.00 -1.26 -3.03 120.64 132.90 1cm4 n GLU 82 Ca 0.13 0.19 -0.17 0.00 0.00 0.00 0.00 57.16 57.32 1cm4 n GLU 82 Cb 0.38 -0.28 -0.08 0.00 0.00 0.00 0.00 31.44 31.45 1cm4 n GLU 82 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1cm4 h GLU 83 N 0.00 -0.80 0.00 5.31 4.57 -1.95 -3.36 114.58 118.35 1cm4 h GLU 83 Ca 0.01 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1cm4 h GLU 83 Cb 0.02 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1cm4 h GLU 83 CO -0.04 -0.54 0.00 0.39 -1.18 0.00 0.00 179.01 177.64 1cm4 n GLU 84 N -5.49 0.00 -0.03 1.92 1.02 -1.17 -4.79 120.64 112.11 1cm4 n GLU 84 Ca -0.11 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.83 1cm4 n GLU 84 Cb 0.38 -3.97 -0.13 0.00 -0.02 0.00 0.00 31.44 27.70 1cm4 n GLU 84 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1cm4 h ILE 85 N 0.00 1.20 0.00 -3.67 2.04 -1.92 -3.02 117.51 112.15 1cm4 h ILE 85 Ca 0.00 -2.35 -0.06 0.00 1.00 0.00 0.00 64.86 63.45 1cm4 h ILE 85 Cb 0.00 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1cm4 h ILE 85 CO 0.00 0.59 -0.28 -0.09 0.00 0.00 0.00 178.15 178.37 1cm4 h ARG 86 N -0.62 0.00 -0.12 2.37 9.65 -1.99 -0.91 114.38 122.76 1cm4 h ARG 86 Ca -0.24 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.43 1cm4 h ARG 86 Cb 1.49 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 30.08 1cm4 h ARG 86 CO -0.01 0.28 -0.76 0.93 2.80 0.00 0.00 179.97 183.21 1cm4 h GLU 87 N 0.00 0.73 -0.30 0.20 4.39 -1.95 -2.83 114.58 114.81 1cm4 h GLU 87 Ca -0.00 -0.62 -0.16 0.00 0.34 0.00 0.00 59.36 58.91 1cm4 h GLU 87 Cb 0.62 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1cm4 h GLU 87 CO 0.04 1.23 -0.47 0.00 -1.16 0.00 0.00 179.01 178.65 1cm4 h ALA 88 N 0.51 0.60 -0.69 3.43 0.00 -1.36 -3.06 119.26 118.69 1cm4 h ALA 88 Ca -0.06 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1cm4 h ALA 88 Cb 1.40 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1cm4 h ALA 88 CO 0.16 0.68 0.35 0.35 0.00 0.00 0.00 179.25 180.78 1cm4 h PHE 89 N 0.64 0.95 0.00 0.00 3.57 -1.22 -1.59 116.94 119.29 1cm4 h PHE 89 Ca 0.04 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1cm4 h PHE 89 Cb 1.04 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1cm4 h PHE 89 CO 0.06 0.68 -0.22 -0.09 -2.23 0.00 0.00 178.31 176.51 1cm4 h ARG 90 N 0.96 0.00 -0.05 1.11 9.65 -1.43 -0.57 114.38 124.05 1cm4 h ARG 90 Ca 0.24 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.93 1cm4 h ARG 90 Cb 0.07 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1cm4 h ARG 90 CO -0.03 0.22 -0.79 0.28 2.80 0.00 0.00 179.97 182.45 1cm4 h VAL 91 N 0.00 1.40 0.10 0.20 2.07 -1.21 -3.32 116.25 115.49 1cm4 h VAL 91 Ca -0.00 -2.26 -0.27 0.00 0.82 0.00 0.00 66.70 64.99 1cm4 h VAL 91 Cb 0.48 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1cm4 h VAL 91 CO 0.03 0.67 -1.26 -0.26 0.02 0.00 0.00 177.57 176.78 1cm4 h PHE 92 N 0.24 0.38 -2.65 1.57 0.04 -1.01 -3.41 116.94 112.11 1cm4 h PHE 92 Ca -0.04 -0.28 -0.73 0.00 2.80 0.00 0.00 57.97 59.72 1cm4 h PHE 92 Cb 1.38 -0.02 -0.20 0.00 2.20 0.00 0.00 35.95 39.32 1cm4 h PHE 92 CO 0.04 1.24 0.82 0.34 -0.60 0.00 0.00 178.31 180.16 1cm4 s ASP 93 N -7.01 6.81 0.23 2.17 2.15 -0.28 -4.23 116.67 116.51 1cm4 s ASP 93 Ca -0.04 -2.50 -0.08 0.00 0.43 0.00 0.00 52.55 50.36 1cm4 s ASP 93 Cb 0.08 -2.36 0.38 0.00 -0.30 0.00 0.00 42.92 40.72 1cm4 s ASP 93 CO 0.87 -0.85 1.65 0.11 -0.17 0.00 0.00 175.17 176.78 1cm4 h LYS 94 N 8.08 0.13 -0.01 4.34 1.57 -1.81 -2.08 116.57 126.79 1cm4 h LYS 94 Ca 0.19 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1cm4 h LYS 94 Cb 0.98 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1cm4 h LYS 94 CO 1.08 0.08 -0.12 -0.40 -0.57 0.00 0.00 179.45 179.52 1cm4 n ASP 95 N -5.29 1.08 -0.40 0.86 5.75 -1.26 -4.96 116.55 112.32 1cm4 n ASP 95 Ca 0.12 -1.08 -0.05 0.00 -0.01 0.00 0.00 54.79 53.76 1cm4 n ASP 95 Cb 0.42 0.04 -0.02 0.00 -1.03 0.00 0.00 41.12 40.53 1cm4 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cm4 n GLY 96 N 1.25 0.68 0.00 6.12 0.00 -0.78 -4.89 105.19 107.57 1cm4 n GLY 96 Ca 0.16 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.10 1cm4 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cm4 n ASN 97 N -0.36 0.00 0.00 1.61 6.94 -1.26 -4.87 115.26 117.31 1cm4 n ASN 97 Ca -0.05 -0.31 0.00 0.00 -0.02 0.00 0.00 54.58 54.19 1cm4 n ASN 97 Cb 0.35 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 1cm4 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cm4 n GLY 98 N 0.55 0.49 3.25 4.83 0.00 -1.26 -5.08 105.19 107.96 1cm4 n GLY 98 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 1cm4 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cm4 s TYR 99 N -2.06 1.48 -0.19 1.61 1.51 -1.26 -4.03 117.35 114.40 1cm4 s TYR 99 Ca 0.00 -0.51 -0.09 0.00 -1.01 0.00 0.00 57.07 55.46 1cm4 s TYR 99 Cb 0.00 -0.78 -0.05 0.00 -0.11 0.00 0.00 41.96 41.02 1cm4 s TYR 99 CO 0.00 0.16 0.11 0.42 -1.11 0.00 0.00 175.55 175.14 1cm4 s ILE 100 N -1.84 5.26 0.37 2.71 1.01 -0.14 -4.77 121.20 123.80 1cm4 s ILE 100 Ca 0.08 0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.95 1cm4 s ILE 100 Cb -0.07 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.95 1cm4 s ILE 100 CO 0.04 0.45 0.02 -0.94 0.00 0.00 0.00 174.94 174.50 1cm4 s SER 101 N 0.34 4.08 0.23 3.58 1.04 -1.26 -1.39 113.70 120.31 1cm4 s SER 101 Ca 0.07 -1.12 -0.07 0.00 0.48 0.00 0.00 55.95 55.31 1cm4 s SER 101 Cb -0.11 -0.46 0.38 0.00 0.10 0.00 0.00 66.02 65.93 1cm4 s SER 101 CO -0.01 -0.32 1.70 0.00 0.98 0.00 0.00 173.24 175.59 1cm4 h ALA 102 N 1.78 0.86 -0.53 5.32 0.00 -1.93 -1.91 119.26 122.85 1cm4 h ALA 102 Ca -0.43 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1cm4 h ALA 102 Cb 1.25 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1cm4 h ALA 102 CO 0.71 -0.30 0.07 0.00 0.00 0.00 0.00 179.25 179.73 1cm4 h ALA 103 N 1.54 1.13 -0.46 0.00 0.00 -1.99 -1.13 119.26 118.35 1cm4 h ALA 103 Ca 0.37 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1cm4 h ALA 103 Cb 0.58 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1cm4 h ALA 103 CO -0.44 0.57 -0.06 0.93 0.00 0.00 0.00 179.25 180.25 1cm4 h GLU 104 N 0.81 0.86 0.49 0.00 5.08 -1.67 -2.01 114.58 118.14 1cm4 h GLU 104 Ca 0.17 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1cm4 h GLU 104 Cb 0.38 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1cm4 h GLU 104 CO 0.01 0.93 -0.24 1.25 -1.00 0.00 0.00 179.01 179.97 1cm4 h LEU 105 N 0.70 -0.56 -0.85 1.33 5.85 -1.13 -2.99 115.31 117.66 1cm4 h LEU 105 Ca 0.12 -0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.92 1cm4 h LEU 105 Cb 0.59 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.67 1cm4 h LEU 105 CO 0.04 -0.26 0.45 -0.09 -0.34 0.00 0.00 178.44 178.24 1cm4 h ARG 106 N -0.87 0.66 -0.87 1.25 2.43 -1.25 -0.57 114.38 115.16 1cm4 h ARG 106 Ca -0.07 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1cm4 h ARG 106 Cb 0.59 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1cm4 h ARG 106 CO 0.11 0.44 0.50 0.45 -1.51 0.00 0.00 179.97 179.96 1cm4 h HIS 107 N 0.68 1.17 0.00 2.20 3.86 -1.33 -2.08 115.15 119.66 1cm4 h HIS 107 Ca 0.45 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.62 1cm4 h HIS 107 Cb 0.57 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 1cm4 h HIS 107 CO -0.08 0.80 -0.16 0.28 0.86 0.00 0.00 177.93 179.63 1cm4 h VAL 108 N 1.21 0.18 -0.25 2.45 2.07 -1.16 -1.60 116.25 119.15 1cm4 h VAL 108 Ca 0.31 -1.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 1cm4 h VAL 108 Cb -0.01 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1cm4 h VAL 108 CO -0.05 0.10 -0.09 0.24 0.02 0.00 0.00 177.57 177.79 1cm4 h MET 109 N 0.00 0.50 0.00 1.57 2.07 -0.57 -2.79 114.93 115.71 1cm4 h MET 109 Ca -0.00 -0.21 -0.08 0.00 -2.07 0.00 0.00 59.70 57.34 1cm4 h MET 109 Cb 1.09 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.78 1cm4 h MET 109 CO 0.01 0.75 -0.39 1.15 1.07 0.00 0.00 176.91 179.50 1cm4 h THR 110 N 0.24 0.69 0.00 2.22 2.02 -1.43 -2.48 112.91 114.17 1cm4 h THR 110 Ca 0.06 -1.92 -0.06 0.00 0.77 0.00 0.00 66.41 65.25 1cm4 h THR 110 Cb 0.58 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.28 1cm4 h THR 110 CO 0.03 0.38 -0.31 -1.13 0.37 0.00 0.00 175.52 174.87 1cm4 h ASN 111 N 0.00 0.00 -0.16 4.18 -1.24 -1.26 -0.73 115.58 116.38 1cm4 h ASN 111 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1cm4 h ASN 111 Cb 1.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.32 1cm4 h ASN 111 CO 0.05 0.31 0.00 0.18 -1.29 0.00 0.00 177.43 176.68 1cm4 n LEU 112 N -4.01 0.93 0.00 0.34 4.77 -1.06 -4.90 117.00 113.07 1cm4 n LEU 112 Ca -0.02 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1cm4 n LEU 112 Cb 0.37 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1cm4 n LEU 112 CO 0.37 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1cm4 n GLY 113 N 0.82 0.58 3.81 -0.72 0.00 -0.28 -4.96 105.19 104.44 1cm4 n GLY 113 Ca 0.08 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 1cm4 n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cm4 s GLU 114 N -1.19 3.09 -0.35 1.61 2.02 -0.95 -4.97 118.70 117.97 1cm4 s GLU 114 Ca 0.00 -0.52 -0.07 0.00 0.02 0.00 0.00 54.97 54.40 1cm4 s GLU 114 Cb 0.00 -2.87 0.04 0.00 0.10 0.00 0.00 34.13 31.40 1cm4 s GLU 114 CO 0.00 0.62 0.12 0.15 0.02 0.00 0.00 175.26 176.18 1cm4 s LYS 115 N -2.01 2.65 0.14 1.61 1.02 -1.26 -3.68 119.74 118.21 1cm4 s LYS 115 Ca 0.26 -1.17 0.09 0.00 0.02 0.00 0.00 55.97 55.17 1cm4 s LYS 115 Cb -0.12 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 1cm4 s LYS 115 CO 0.18 -0.68 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.22 1cm4 s LEU 116 N 1.43 2.37 0.54 3.17 1.02 -1.26 -5.12 118.68 120.83 1cm4 s LEU 116 Ca -0.01 -0.78 -0.15 0.00 0.02 0.00 0.00 54.13 53.21 1cm4 s LEU 116 Cb -0.19 -0.89 -0.07 0.00 0.02 0.00 0.00 46.19 45.05 1cm4 s LEU 116 CO 0.03 0.03 1.00 0.42 0.02 0.00 0.00 176.35 177.85 1cm4 s THR 117 N -1.60 4.54 0.47 5.49 -4.23 -1.26 -4.93 115.64 114.11 1cm4 s THR 117 Ca 0.12 1.12 0.19 0.00 -1.18 0.00 0.00 61.69 61.94 1cm4 s THR 117 Cb -0.08 -3.74 0.24 0.00 1.34 0.00 0.00 72.50 70.27 1cm4 s THR 117 CO 0.06 -0.79 2.07 0.44 -0.54 0.00 0.00 174.62 175.86 1cm4 h ASP 118 N 0.60 0.00 0.66 3.99 5.19 -2.01 -0.46 116.42 124.39 1cm4 h ASP 118 Ca -0.46 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.79 1cm4 h ASP 118 Cb 1.19 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.68 1cm4 h ASP 118 CO 0.61 0.12 -0.75 -0.08 -3.12 0.00 0.00 179.24 176.02 1cm4 h GLU 119 N 0.00 0.07 -0.71 3.56 4.57 -1.98 -0.96 114.58 119.13 1cm4 h GLU 119 Ca -0.00 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 1cm4 h GLU 119 Cb 0.24 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1cm4 h GLU 119 CO 0.02 0.78 0.26 0.93 -1.18 0.00 0.00 179.01 179.82 1cm4 h GLU 120 N 0.04 1.07 -0.56 1.92 5.08 -1.48 0.19 114.58 120.84 1cm4 h GLU 120 Ca -0.01 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 1cm4 h GLU 120 Cb 1.32 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1cm4 h GLU 120 CO 0.10 0.89 -0.02 0.28 -1.00 0.00 0.00 179.01 179.26 1cm4 h VAL 121 N 1.04 1.26 -0.01 3.13 2.07 -1.21 -1.39 116.25 121.15 1cm4 h VAL 121 Ca 0.24 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.54 1cm4 h VAL 121 Cb 0.24 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1cm4 h VAL 121 CO -0.01 0.41 -0.33 -0.78 0.02 0.00 0.00 177.57 176.87 1cm4 h ASP 122 N 0.89 0.02 1.16 0.57 1.82 -0.55 -1.83 116.42 118.50 1cm4 h ASP 122 Ca 0.16 -0.01 -0.15 0.00 -0.39 0.00 0.00 57.03 56.64 1cm4 h ASP 122 Cb 0.55 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 1cm4 h ASP 122 CO 0.03 0.35 -0.70 -0.33 -1.61 0.00 0.00 179.24 176.98 1cm4 h GLU 123 N 0.02 0.00 -0.24 0.28 5.08 -0.48 -2.52 114.58 116.72 1cm4 h GLU 123 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1cm4 h GLU 123 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1cm4 h GLU 123 CO 0.04 0.70 -0.59 0.52 -1.00 0.00 0.00 179.01 178.68 1cm4 h MET 124 N 0.00 0.82 -0.50 2.33 2.86 -0.85 -2.77 114.93 116.81 1cm4 h MET 124 Ca -0.01 -0.57 0.05 0.00 -2.06 0.00 0.00 59.70 57.12 1cm4 h MET 124 Cb 1.47 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 33.17 1cm4 h MET 124 CO 0.09 1.19 0.23 0.82 1.06 0.00 0.00 176.91 180.30 1cm4 h ILE 125 N 0.58 0.91 -0.16 -1.22 1.08 -1.32 -1.89 117.51 115.50 1cm4 h ILE 125 Ca -0.01 -0.15 0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1cm4 h ILE 125 Cb 1.21 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 1cm4 h ILE 125 CO 0.13 0.08 0.11 0.03 -0.69 0.00 0.00 178.15 177.81 1cm4 h ARG 126 N 0.45 0.16 -0.28 2.37 3.08 -1.41 -0.65 114.38 118.10 1cm4 h ARG 126 Ca 0.23 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.15 1cm4 h ARG 126 Cb 0.18 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1cm4 h ARG 126 CO -0.19 0.10 -0.32 0.93 -1.07 0.00 0.00 179.97 179.43 1cm4 h GLU 127 N 0.16 0.59 0.00 0.04 4.39 -1.05 -3.30 114.58 115.42 1cm4 h GLU 127 Ca 0.06 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1cm4 h GLU 127 Cb 0.06 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1cm4 h GLU 127 CO -0.01 0.83 -1.33 0.00 -1.16 0.00 0.00 179.01 177.35 1cm4 n ALA 128 N -2.50 2.82 -1.94 3.43 0.00 -0.80 -4.88 120.51 116.64 1cm4 n ALA 128 Ca -0.01 -0.37 -0.40 0.00 0.00 0.00 0.00 53.44 52.67 1cm4 n ALA 128 Cb 0.47 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 1cm4 n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cm4 s ASP 129 N -4.75 5.35 -0.11 0.00 2.15 -0.32 -4.83 116.67 114.16 1cm4 s ASP 129 Ca -0.02 0.82 -0.05 0.00 0.43 0.00 0.00 52.55 53.74 1cm4 s ASP 129 Cb 0.12 -2.52 -0.02 0.00 -0.30 0.00 0.00 42.92 40.20 1cm4 s ASP 129 CO 0.83 -2.22 -0.09 0.40 -0.17 0.00 0.00 175.17 173.92 1cm4 h ILE 130 N 6.99 0.00 0.00 4.11 2.04 -1.90 -3.40 117.51 125.36 1cm4 h ILE 130 Ca -0.29 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.62 1cm4 h ILE 130 Cb 1.18 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1cm4 h ILE 130 CO 1.14 0.00 -0.04 -2.24 0.00 0.00 0.00 178.15 177.01 1cm4 h ASP 131 N -0.94 0.00 0.00 1.72 3.04 -1.93 -3.47 116.42 114.84 1cm4 h ASP 131 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1cm4 h ASP 131 Cb 0.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 1cm4 h ASP 131 CO 0.00 0.04 0.00 0.61 -2.04 0.00 0.00 179.24 177.85 1cm4 n GLY 132 N -0.03 0.71 0.00 7.15 0.00 -1.26 -5.00 105.19 106.75 1cm4 n GLY 132 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1cm4 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cm4 n ASP 133 N 0.00 0.00 0.00 1.61 5.75 -1.26 -4.86 116.55 117.79 1cm4 n ASP 133 Ca 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 1cm4 n ASP 133 Cb 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 1cm4 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cm4 n GLY 134 N 0.54 0.53 3.33 6.12 0.00 -1.26 -5.04 105.19 109.41 1cm4 n GLY 134 Ca 0.12 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 1cm4 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cm4 s GLN 135 N -1.04 1.34 -0.33 1.61 -0.21 -1.26 -4.74 119.66 115.04 1cm4 s GLN 135 Ca 0.00 -1.69 0.02 0.00 0.02 0.00 0.00 55.36 53.71 1cm4 s GLN 135 Cb 0.00 -0.54 0.09 0.00 1.00 0.00 0.00 33.01 33.55 1cm4 s GLN 135 CO 0.00 -0.14 0.04 0.08 -2.12 0.00 0.00 175.29 173.15 1cm4 s VAL 136 N -3.49 2.50 0.97 1.09 1.01 -0.49 -4.60 120.40 117.40 1cm4 s VAL 136 Ca 0.30 -2.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.09 1cm4 s VAL 136 Cb 0.06 -2.70 0.18 0.00 0.00 0.00 0.00 36.38 33.92 1cm4 s VAL 136 CO 0.09 -0.44 1.19 0.54 0.00 0.00 0.00 175.10 176.48 1cm4 s ASN 137 N 1.14 2.99 0.42 3.32 2.20 -1.26 -0.96 114.94 122.79 1cm4 s ASN 137 Ca 0.04 0.68 0.19 0.00 -0.94 0.00 0.00 52.86 52.83 1cm4 s ASN 137 Cb -0.20 -1.03 0.94 0.00 -2.00 0.00 0.00 41.25 38.96 1cm4 s ASN 137 CO -0.06 -2.84 1.89 0.22 -2.94 0.00 0.00 177.10 173.36 1cm4 h TYR 138 N -1.71 0.00 -0.37 1.54 3.20 -1.99 -1.58 116.97 116.06 1cm4 h TYR 138 Ca -0.47 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.27 1cm4 h TYR 138 Cb 1.30 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.56 1cm4 h TYR 138 CO -0.59 0.28 -0.30 0.93 -1.64 0.00 0.00 178.16 176.84 1cm4 h GLU 139 N 0.00 0.80 -0.12 1.82 3.07 -1.95 -1.28 114.58 116.92 1cm4 h GLU 139 Ca -0.00 -0.37 -0.17 0.00 -0.50 0.00 0.00 59.36 58.32 1cm4 h GLU 139 Cb 0.60 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1cm4 h GLU 139 CO 0.04 0.99 -0.64 0.93 -1.40 0.00 0.00 179.01 178.93 1cm4 h GLU 140 N 0.67 0.46 -0.20 2.33 5.08 -1.82 -2.00 114.58 119.12 1cm4 h GLU 140 Ca 0.08 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1cm4 h GLU 140 Cb 0.84 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1cm4 h GLU 140 CO 0.07 0.95 0.09 0.35 -1.00 0.00 0.00 179.01 179.47 1cm4 h PHE 141 N 0.33 0.29 -0.20 4.33 3.57 -1.07 -2.15 116.94 122.04 1cm4 h PHE 141 Ca -0.01 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1cm4 h PHE 141 Cb 1.20 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1cm4 h PHE 141 CO 0.04 0.31 0.09 0.28 -2.23 0.00 0.00 178.31 176.80 1cm4 h VAL 142 N 0.18 0.98 -0.70 1.41 2.07 -1.23 -2.29 116.25 116.68 1cm4 h VAL 142 Ca 0.07 -0.07 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1cm4 h VAL 142 Cb 0.13 0.76 -0.09 0.00 -1.52 0.00 0.00 31.29 30.57 1cm4 h VAL 142 CO -0.01 0.04 0.22 -0.61 0.02 0.00 0.00 177.57 177.23 1cm4 h GLN 143 N 0.20 0.34 -0.05 1.57 5.75 -1.17 0.28 115.11 122.03 1cm4 h GLN 143 Ca 0.08 -0.02 -0.13 0.00 -0.15 0.00 0.00 58.65 58.44 1cm4 h GLN 143 Cb 0.03 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 1cm4 h GLN 143 CO -0.07 0.23 -0.55 1.98 -2.65 0.00 0.00 178.83 177.77 1cm4 h MET 144 N 0.35 0.14 -0.25 1.69 4.05 -1.11 -2.80 114.93 117.00 1cm4 h MET 144 Ca 0.38 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 1cm4 h MET 144 Cb 0.58 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1cm4 h MET 144 CO -0.42 0.66 0.00 -1.33 0.23 0.00 0.00 176.91 176.05 1cm4 n MET 145 N -3.90 1.97 0.00 0.39 2.81 -0.14 -5.12 117.12 113.13 1cm4 n MET 145 Ca -0.02 -1.47 0.00 0.00 -1.81 0.00 0.00 57.70 54.40 1cm4 n MET 145 Cb 0.57 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 1cm4 n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73