#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 3.01 0.25 1.96 -4.23 -1.26 -4.89 115.64 110.48 1cm4 s THR 5 Ca 0.00 0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 60.87 1cm4 s THR 5 Cb 0.00 -2.86 0.16 0.00 1.34 0.00 0.00 72.50 71.14 1cm4 s THR 5 CO 0.00 -0.35 1.81 -0.08 -0.54 0.00 0.00 174.62 175.45 1cm4 h GLU 6 N -0.65 1.02 0.00 3.99 4.81 -2.05 -1.96 114.58 119.75 1cm4 h GLU 6 Ca -0.45 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 58.53 1cm4 h GLU 6 Cb 1.25 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1cm4 h GLU 6 CO 0.51 0.86 -0.29 1.05 -0.73 0.00 0.00 179.01 180.40 1cm4 h GLU 7 N 1.00 0.00 -0.07 1.92 4.11 -1.98 -1.90 114.58 117.65 1cm4 h GLU 7 Ca 0.23 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.47 1cm4 h GLU 7 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1cm4 h GLU 7 CO -0.01 0.29 -0.74 1.96 0.07 0.00 0.00 179.01 180.58 1cm4 h GLN 8 N 0.00 0.40 -0.09 1.06 4.20 -1.79 -1.01 115.11 117.89 1cm4 h GLN 8 Ca -0.00 -0.34 -0.08 0.00 0.06 0.00 0.00 58.65 58.29 1cm4 h GLN 8 Cb 0.96 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 1cm4 h GLN 8 CO 0.04 0.98 -0.30 0.82 -0.67 0.00 0.00 178.83 179.70 1cm4 h ILE 9 N 0.27 1.25 -0.04 2.54 2.04 -1.11 -1.81 117.51 120.66 1cm4 h ILE 9 Ca -0.03 -1.18 -0.14 0.00 1.00 0.00 0.00 64.86 64.50 1cm4 h ILE 9 Cb 1.32 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 1cm4 h ILE 9 CO 0.13 0.35 -0.63 0.00 0.00 0.00 0.00 178.15 178.00 1cm4 h ALA 10 N 1.55 0.88 -0.54 1.87 0.00 -1.12 -0.83 119.26 121.07 1cm4 h ALA 10 Ca 0.02 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 1cm4 h ALA 10 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1cm4 h ALA 10 CO 0.04 0.76 -0.12 0.93 0.00 0.00 0.00 179.25 180.87 1cm4 h GLU 11 N 0.10 1.03 0.00 0.00 5.08 -0.66 -1.08 114.58 119.05 1cm4 h GLU 11 Ca -0.01 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 57.90 1cm4 h GLU 11 Cb 1.13 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1cm4 h GLU 11 CO 0.09 1.08 -0.33 0.74 -1.00 0.00 0.00 179.01 179.59 1cm4 h PHE 12 N 0.92 0.00 0.00 4.33 0.04 -1.28 -1.36 116.94 119.59 1cm4 h PHE 12 Ca 0.14 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.79 1cm4 h PHE 12 Cb 0.69 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 1cm4 h PHE 12 CO 0.05 0.33 -0.58 -0.22 -0.60 0.00 0.00 178.31 177.28 1cm4 h LYS 13 N 0.00 0.00 0.08 1.51 3.64 -0.88 -1.83 116.57 119.08 1cm4 h LYS 13 Ca -0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 1cm4 h LYS 13 Cb 1.00 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1cm4 h LYS 13 CO 0.04 0.58 -0.91 1.49 -2.27 0.00 0.00 179.45 178.38 1cm4 h GLU 14 N 0.00 0.48 -0.33 1.90 4.57 -0.75 -2.63 114.58 117.82 1cm4 h GLU 14 Ca -0.01 -0.62 -0.08 0.00 -1.18 0.00 0.00 59.36 57.47 1cm4 h GLU 14 Cb 1.19 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.97 1cm4 h GLU 14 CO 0.08 1.25 -0.13 0.00 -1.18 0.00 0.00 179.01 179.02 1cm4 h ALA 15 N 0.26 1.15 -0.64 2.92 0.00 -1.29 -2.97 119.26 118.68 1cm4 h ALA 15 Ca -0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1cm4 h ALA 15 Cb 1.63 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1cm4 h ALA 15 CO 0.18 0.54 0.34 0.35 0.00 0.00 0.00 179.25 180.65 1cm4 h PHE 16 N 0.54 0.89 0.00 0.00 3.57 -1.39 -2.65 116.94 117.90 1cm4 h PHE 16 Ca 0.09 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1cm4 h PHE 16 Cb 0.55 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1cm4 h PHE 16 CO 0.02 0.65 -0.05 0.77 -2.23 0.00 0.00 178.31 177.47 1cm4 h SER 17 N 0.87 0.00 0.11 0.41 0.02 -1.30 -2.14 113.55 111.52 1cm4 h SER 17 Ca 0.22 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.86 1cm4 h SER 17 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1cm4 h SER 17 CO -0.03 0.05 -1.64 -0.07 -1.14 0.00 0.00 176.83 174.00 1cm4 h LEU 18 N 0.00 0.35 -0.40 5.07 3.38 -1.51 -3.39 115.31 118.81 1cm4 h LEU 18 Ca -0.00 -0.84 -0.09 0.00 0.09 0.00 0.00 57.88 57.04 1cm4 h LEU 18 Cb 0.27 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1cm4 h LEU 18 CO 0.01 1.71 -0.09 -0.26 0.09 0.00 0.00 178.44 179.89 1cm4 h PHE 19 N -0.24 0.87 -0.92 1.13 0.04 -1.40 -3.37 116.94 113.05 1cm4 h PHE 19 Ca -0.36 -0.18 -0.57 0.00 2.80 0.00 0.00 57.97 59.65 1cm4 h PHE 19 Cb 1.82 -0.21 -0.08 0.00 2.20 0.00 0.00 35.95 39.67 1cm4 h PHE 19 CO 0.10 0.90 1.65 0.34 -0.60 0.00 0.00 178.31 180.70 1cm4 s ASP 20 N -6.38 6.36 0.05 2.17 2.15 -0.81 -4.59 116.67 115.61 1cm4 s ASP 20 Ca -0.12 -1.77 -0.30 0.00 0.43 0.00 0.00 52.55 50.78 1cm4 s ASP 20 Cb 0.10 -2.57 -0.16 0.00 -0.30 0.00 0.00 42.92 39.99 1cm4 s ASP 20 CO 0.82 -1.65 1.45 0.11 -0.17 0.00 0.00 175.17 175.73 1cm4 h LYS 21 N 9.09 -0.99 -6.23 4.34 1.79 -1.85 -3.31 116.57 119.41 1cm4 h LYS 21 Ca 0.29 0.07 -0.59 0.00 -2.18 0.00 0.00 60.65 58.24 1cm4 h LYS 21 Cb 0.95 0.23 -0.09 0.00 -1.58 0.00 0.00 32.23 31.74 1cm4 h LYS 21 CO 1.40 -0.66 0.68 0.16 -1.08 0.00 0.00 179.45 179.94 1cm4 s ASP 22 N -3.66 6.66 -1.06 0.86 1.47 -1.26 -4.94 116.67 114.74 1cm4 s ASP 22 Ca -0.16 0.52 -0.25 0.00 1.18 0.00 0.00 52.55 53.84 1cm4 s ASP 22 Cb 0.02 -2.48 -0.15 0.00 -0.34 0.00 0.00 42.92 39.96 1cm4 s ASP 22 CO 0.48 -0.96 2.08 -0.83 0.68 0.00 0.00 175.17 176.62 1cm4 s GLY 23 N 2.03 -0.55 -0.00 2.12 0.00 -1.25 -4.61 107.32 105.06 1cm4 s GLY 23 Ca 0.40 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1cm4 s GLY 23 CO 0.22 3.97 0.88 2.09 0.00 0.00 0.00 173.10 180.25 1cm4 n ASP 24 N 17.30 1.48 0.00 1.64 5.68 -1.26 -5.01 116.55 136.37 1cm4 n ASP 24 Ca 0.43 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 1cm4 n ASP 24 Cb 0.46 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1cm4 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cm4 n GLY 25 N -0.39 2.71 3.46 6.12 0.00 -1.26 -4.98 105.19 110.84 1cm4 n GLY 25 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.92 4.21 -0.07 2.61 -4.23 -1.26 -4.01 115.64 111.97 1cm4 s THR 26 Ca 0.00 -0.22 -0.23 0.00 -1.18 0.00 0.00 61.69 60.06 1cm4 s THR 26 Cb 0.00 -2.94 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 1cm4 s THR 26 CO 0.00 0.38 0.70 -0.63 -0.54 0.00 0.00 174.62 174.53 1cm4 s ILE 27 N 1.32 5.05 0.47 2.99 1.01 -0.32 -4.92 121.20 126.80 1cm4 s ILE 27 Ca 0.05 1.44 0.07 0.00 0.00 0.00 0.00 60.65 62.21 1cm4 s ILE 27 Cb -0.15 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.32 1cm4 s ILE 27 CO 0.03 0.25 0.65 0.42 0.00 0.00 0.00 174.94 176.28 1cm4 s THR 28 N 0.84 2.78 0.38 2.92 -4.23 -1.26 -2.09 115.64 114.98 1cm4 s THR 28 Ca 0.37 -0.95 0.07 0.00 -1.18 0.00 0.00 61.69 60.01 1cm4 s THR 28 Cb -0.18 -2.83 0.20 0.00 1.34 0.00 0.00 72.50 71.03 1cm4 s THR 28 CO 0.18 0.00 1.96 0.71 -0.54 0.00 0.00 174.62 176.93 1cm4 h THR 29 N 0.46 1.15 -0.25 3.99 1.35 -1.93 -2.07 112.91 115.61 1cm4 h THR 29 Ca -0.38 -0.56 -0.10 0.00 -0.55 0.00 0.00 66.41 64.82 1cm4 h THR 29 Cb 1.28 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 1cm4 h THR 29 CO 0.45 0.19 -0.28 0.11 -0.25 0.00 0.00 175.52 175.74 1cm4 h LYS 30 N 0.40 0.49 -0.16 4.72 1.57 -1.99 -1.20 116.57 120.40 1cm4 h LYS 30 Ca 0.09 -0.20 -0.21 0.00 -1.87 0.00 0.00 60.65 58.46 1cm4 h LYS 30 Cb 0.21 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.50 1cm4 h LYS 30 CO 0.00 0.73 -0.74 0.93 -0.57 0.00 0.00 179.45 179.79 1cm4 h GLU 31 N 0.43 0.75 -0.29 3.15 5.08 -1.78 -1.93 114.58 119.98 1cm4 h GLU 31 Ca 0.06 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1cm4 h GLU 31 Cb 0.71 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1cm4 h GLU 31 CO 0.05 1.20 0.19 -0.07 -1.00 0.00 0.00 179.01 179.39 1cm4 h LEU 32 N 0.52 0.33 -0.34 1.33 3.38 -1.20 -1.75 115.31 117.58 1cm4 h LEU 32 Ca -0.04 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1cm4 h LEU 32 Cb 1.36 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1cm4 h LEU 32 CO 0.15 0.24 -0.02 1.23 0.09 0.00 0.00 178.44 180.13 1cm4 h GLY 33 N 0.39 0.66 1.74 0.83 0.00 -1.26 -1.17 103.07 104.26 1cm4 h GLY 33 Ca 0.11 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1cm4 h GLY 33 CO -0.03 0.46 -0.07 -0.84 0.00 0.00 0.00 176.54 176.06 1cm4 h THR 34 N 0.41 1.17 -0.03 4.70 2.02 -1.30 -0.34 112.91 119.54 1cm4 h THR 34 Ca 0.09 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 1cm4 h THR 34 Cb 0.48 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1cm4 h THR 34 CO 0.02 0.23 -0.13 0.58 0.37 0.00 0.00 175.52 176.60 1cm4 h VAL 35 N 0.31 1.48 -0.78 3.16 2.07 -1.22 -3.10 116.25 118.17 1cm4 h VAL 35 Ca 0.07 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 1cm4 h VAL 35 Cb 0.32 2.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 1cm4 h VAL 35 CO 0.01 0.43 0.45 0.24 0.02 0.00 0.00 177.57 178.73 1cm4 h MET 36 N -0.43 1.06 0.00 1.57 2.86 -0.76 -2.25 114.93 116.98 1cm4 h MET 36 Ca -0.01 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1cm4 h MET 36 Cb 0.77 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1cm4 h MET 36 CO 0.03 0.75 -0.34 0.00 1.06 0.00 0.00 176.91 178.41 1cm4 h ARG 37 N 1.07 0.00 0.00 1.72 3.08 -1.13 -1.04 114.38 118.08 1cm4 h ARG 37 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1cm4 h ARG 37 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1cm4 h ARG 37 CO -0.05 0.34 0.00 -1.13 -1.07 0.00 0.00 179.97 178.06 1cm4 n SER 38 N -3.50 0.73 -0.15 7.04 3.41 -0.88 -2.11 113.62 118.16 1cm4 n SER 38 Ca -0.00 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 1cm4 n SER 38 Cb 0.50 -0.77 0.18 0.00 -0.26 0.00 0.00 64.21 63.85 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 -2.20 0.97 0.00 1.04 4.77 -0.93 -4.97 117.00 115.68 1cm4 n LEU 39 Ca 0.05 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1cm4 n LEU 39 Cb 0.39 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1cm4 n LEU 39 CO 0.28 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1cm4 n GLY 40 N 1.44 0.67 3.97 -0.72 0.00 -0.90 -5.04 105.19 104.61 1cm4 n GLY 40 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1cm4 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cm4 s GLN 41 N -0.74 2.36 -0.40 1.61 1.11 -0.44 -4.97 119.66 118.20 1cm4 s GLN 41 Ca 0.00 -0.77 0.08 0.00 0.01 0.00 0.00 55.36 54.68 1cm4 s GLN 41 Cb 0.00 -2.42 0.25 0.00 -1.01 0.00 0.00 33.01 29.83 1cm4 s GLN 41 CO 0.00 -0.89 0.54 -1.71 0.01 0.00 0.00 175.29 173.24 1cm4 n ASN 42 N -2.49 0.40 -4.66 5.90 2.85 -1.26 -3.62 115.26 112.37 1cm4 n ASN 42 Ca 0.09 -2.74 -0.43 0.00 -0.11 0.00 0.00 54.58 51.39 1cm4 n ASN 42 Cb 0.60 -0.64 -0.02 0.00 1.24 0.00 0.00 39.78 40.96 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 -1.29 4.21 0.62 1.20 0.04 -1.26 -5.02 135.00 133.50 1cm4 s PRO 43 Ca 0.35 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 62.79 1cm4 s PRO 43 Cb 0.17 -3.74 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 1cm4 s PRO 43 CO -0.10 -0.72 1.08 0.95 0.04 0.00 0.00 177.00 178.25 1cm4 s THR 44 N 3.49 3.54 0.53 1.26 -4.23 -1.26 -4.83 115.64 114.13 1cm4 s THR 44 Ca 0.52 0.73 0.20 0.00 -1.18 0.00 0.00 61.69 61.96 1cm4 s THR 44 Cb -0.19 -3.25 0.32 0.00 1.34 0.00 0.00 72.50 70.71 1cm4 s THR 44 CO 0.13 -0.43 2.10 1.05 -0.54 0.00 0.00 174.62 176.93 1cm4 h GLU 45 N 0.27 0.00 -0.11 3.99 9.09 -1.99 -1.43 114.58 124.40 1cm4 h GLU 45 Ca -0.47 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 58.91 1cm4 h GLU 45 Cb 1.23 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.33 1cm4 h GLU 45 CO 0.56 0.00 -0.04 0.00 0.05 0.00 0.00 179.01 179.58 1cm4 h ALA 46 N 1.90 0.15 -0.67 1.06 0.00 -1.99 -1.81 119.26 117.90 1cm4 h ALA 46 Ca 0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1cm4 h ALA 46 Cb 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1cm4 h ALA 46 CO -0.00 -0.09 0.31 0.93 0.00 0.00 0.00 179.25 180.40 1cm4 h GLU 47 N -0.12 0.95 -0.55 0.00 5.08 -1.72 -0.58 114.58 117.64 1cm4 h GLU 47 Ca 0.03 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 1cm4 h GLU 47 Cb 0.48 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1cm4 h GLU 47 CO 0.01 0.75 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.65 1cm4 h LEU 48 N 0.95 1.00 -0.52 1.33 3.38 -1.24 -1.11 115.31 119.09 1cm4 h LEU 48 Ca 0.23 -0.33 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 1cm4 h LEU 48 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1cm4 h LEU 48 CO -0.03 1.09 -0.55 -0.61 0.09 0.00 0.00 178.44 178.44 1cm4 h GLN 49 N 0.89 0.55 0.00 1.13 5.75 -1.09 -2.64 115.11 119.70 1cm4 h GLN 49 Ca 0.15 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1cm4 h GLN 49 Cb 0.61 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.20 1cm4 h GLN 49 CO 0.04 0.95 0.00 -0.44 -2.65 0.00 0.00 178.83 176.73 1cm4 h ASP 50 N 0.42 0.00 0.06 -0.69 3.32 -0.84 -1.25 116.42 117.45 1cm4 h ASP 50 Ca 0.01 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.87 1cm4 h ASP 50 Cb 1.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1cm4 h ASP 50 CO 0.10 0.00 -0.97 -0.03 -1.72 0.00 0.00 179.24 176.62 1cm4 h MET 51 N 0.00 0.13 -0.30 3.56 4.05 -1.05 -3.37 114.93 117.96 1cm4 h MET 51 Ca 0.00 -0.23 -0.10 0.00 -0.28 0.00 0.00 59.70 59.09 1cm4 h MET 51 Cb 0.51 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 1cm4 h MET 51 CO 0.00 1.11 -0.25 0.82 0.23 0.00 0.00 176.91 178.82 1cm4 h ILE 52 N -0.64 1.27 -0.67 1.77 2.04 -1.44 -3.15 117.51 116.69 1cm4 h ILE 52 Ca -0.22 -1.31 0.20 0.00 1.00 0.00 0.00 64.86 64.52 1cm4 h ILE 52 Cb 1.46 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.82 1cm4 h ILE 52 CO -0.01 0.42 0.49 0.78 0.00 0.00 0.00 178.15 179.83 1cm4 h ASN 53 N 0.52 0.00 0.29 1.72 -0.26 -1.38 0.39 115.58 116.86 1cm4 h ASN 53 Ca 0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1cm4 h ASN 53 Cb 0.70 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.97 1cm4 h ASN 53 CO 0.05 0.00 -0.14 -0.08 -1.06 0.00 0.00 177.43 176.20 1cm4 h GLU 54 N 0.00 -0.38 -0.56 0.81 4.81 -1.70 -3.23 114.58 114.33 1cm4 h GLU 54 Ca 0.32 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1cm4 h GLU 54 Cb 1.29 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1cm4 h GLU 54 CO -0.00 -0.14 0.00 1.33 -0.73 0.00 0.00 179.01 179.46 1cm4 n VAL 55 N -5.19 1.01 0.27 0.32 0.24 -0.26 -4.55 118.33 110.17 1cm4 n VAL 55 Ca -0.10 -0.74 0.15 0.00 -2.04 0.00 0.00 64.34 61.61 1cm4 n VAL 55 Cb 0.22 0.13 0.74 0.00 -1.47 0.00 0.00 33.84 33.46 1cm4 n VAL 55 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1cm4 h ASP 56 N 2.82 0.00 0.00 -1.34 3.58 -1.01 -3.45 116.42 117.02 1cm4 h ASP 56 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1cm4 h ASP 56 Cb 0.91 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1cm4 h ASP 56 CO 0.10 0.08 0.00 0.00 -2.88 0.00 0.00 179.24 176.54 1cm4 n ALA 57 N -2.17 0.00 1.54 -0.78 0.00 -1.26 -1.60 120.51 116.24 1cm4 n ALA 57 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cm4 n ALA 57 Cb 0.27 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.74 1cm4 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cm4 n ASP 58 N 0.00 0.54 0.00 0.00 5.68 -1.26 -4.92 116.55 116.58 1cm4 n ASP 58 Ca 0.00 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 1cm4 n ASP 58 Cb 0.00 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1cm4 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cm4 n GLY 59 N 0.35 2.55 0.40 6.12 0.00 -0.62 -4.89 105.19 109.09 1cm4 n GLY 59 Ca 0.01 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.26 1cm4 n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1cm4 h ASN 60 N 0.00 0.48 0.00 1.61 -1.07 -1.92 -3.46 115.58 111.22 1cm4 h ASN 60 Ca 0.00 0.10 0.00 0.00 0.07 0.00 0.00 56.30 56.47 1cm4 h ASN 60 Cb 0.00 0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.28 1cm4 h ASN 60 CO 0.00 0.06 0.00 0.61 0.07 0.00 0.00 177.43 178.17 1cm4 n GLY 61 N -1.44 1.46 3.65 9.14 0.00 -1.26 -5.11 105.19 111.63 1cm4 n GLY 61 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.05 2.12 -0.04 2.61 -4.23 -1.26 -4.79 115.64 108.00 1cm4 s THR 62 Ca 0.00 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 1cm4 s THR 62 Cb 0.00 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 1cm4 s THR 62 CO 0.00 -0.01 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.40 1cm4 s ILE 63 N -2.67 3.94 0.50 2.99 1.01 -0.89 -4.83 121.20 121.26 1cm4 s ILE 63 Ca 0.37 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.53 1cm4 s ILE 63 Cb 0.08 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 1cm4 s ILE 63 CO 0.19 0.51 0.08 1.51 0.00 0.00 0.00 174.94 177.23 1cm4 s ASP 64 N -1.12 4.21 0.09 3.58 1.47 -1.26 -1.17 116.67 122.47 1cm4 s ASP 64 Ca 0.15 -1.54 -0.16 0.00 1.18 0.00 0.00 52.55 52.19 1cm4 s ASP 64 Cb -0.11 0.39 -0.10 0.00 -0.34 0.00 0.00 42.92 42.76 1cm4 s ASP 64 CO 0.05 -0.85 1.39 0.15 0.68 0.00 0.00 175.17 176.58 1cm4 h PHE 65 N 1.28 0.78 -1.07 2.11 3.57 -2.00 -1.54 116.94 120.07 1cm4 h PHE 65 Ca -0.43 -0.24 0.31 0.00 3.53 0.00 0.00 57.97 61.13 1cm4 h PHE 65 Cb 1.30 -0.16 -0.12 0.00 2.79 0.00 0.00 35.95 39.77 1cm4 h PHE 65 CO 1.33 0.98 0.66 -1.35 -2.23 0.00 0.00 178.31 177.70 1cm4 h PRO 66 N 0.35 0.35 -0.17 6.41 0.11 -1.98 -0.85 132.00 136.23 1cm4 h PRO 66 Ca 0.03 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.97 1cm4 h PRO 66 Cb 0.87 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1cm4 h PRO 66 CO 0.07 0.23 -0.48 0.93 -0.21 0.00 0.00 178.00 178.55 1cm4 h GLU 67 N 0.36 0.63 0.00 1.05 5.08 -1.83 -1.17 114.58 118.70 1cm4 h GLU 67 Ca 0.68 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1cm4 h GLU 67 Cb 1.67 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.99 1cm4 h GLU 67 CO -0.44 1.07 -0.00 0.35 -1.00 0.00 0.00 179.01 178.98 1cm4 h PHE 68 N 0.30 0.00 0.01 4.33 3.04 -0.94 -0.65 116.94 123.03 1cm4 h PHE 68 Ca -0.01 0.00 -0.27 0.00 3.98 0.00 0.00 57.97 61.67 1cm4 h PHE 68 Cb 1.10 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.63 1cm4 h PHE 68 CO 0.10 0.00 -1.06 1.25 -2.02 0.00 0.00 178.31 176.58 1cm4 h LEU 69 N 0.00 0.89 -0.46 0.59 5.85 -0.92 -2.97 115.31 118.29 1cm4 h LEU 69 Ca -0.00 -0.72 -0.03 0.00 0.84 0.00 0.00 57.88 57.97 1cm4 h LEU 69 Cb 0.01 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1cm4 h LEU 69 CO 0.00 1.53 0.17 0.74 -0.34 0.00 0.00 178.44 180.54 1cm4 h THR 70 N 0.37 1.21 -0.24 1.05 2.02 0.07 -2.44 112.91 114.94 1cm4 h THR 70 Ca -0.13 -0.65 0.06 0.00 0.77 0.00 0.00 66.41 66.45 1cm4 h THR 70 Cb 1.72 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 68.85 1cm4 h THR 70 CO 0.21 0.24 -0.18 -0.03 0.37 0.00 0.00 175.52 176.13 1cm4 h MET 71 N 0.60 -0.17 -0.05 6.66 1.85 -1.26 -0.53 114.93 122.02 1cm4 h MET 71 Ca 0.15 0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.18 1cm4 h MET 71 Cb 0.21 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.26 1cm4 h MET 71 CO -0.01 -0.11 -0.32 0.52 -0.40 0.00 0.00 176.91 176.59 1cm4 h MET 72 N -0.18 0.10 -0.04 0.39 2.07 -1.36 -1.56 114.93 114.35 1cm4 h MET 72 Ca 0.14 -0.03 -0.11 0.00 -2.07 0.00 0.00 59.70 57.62 1cm4 h MET 72 Cb 0.38 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.09 1cm4 h MET 72 CO -0.35 0.41 -0.50 0.00 1.07 0.00 0.00 176.91 177.55 1cm4 h ALA 73 N 1.59 1.11 -2.25 6.32 0.00 -0.93 -3.43 119.26 121.67 1cm4 h ALA 73 Ca 0.01 -0.46 -0.48 0.00 0.00 0.00 0.00 54.91 53.98 1cm4 h ALA 73 Cb 0.61 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1cm4 h ALA 73 CO 0.04 0.64 0.17 0.50 0.00 0.00 0.00 179.25 180.60 1cm4 s ARG 74 N -3.92 4.01 -0.04 0.00 3.00 -0.26 -5.08 118.95 116.66 1cm4 s ARG 74 Ca -0.03 0.75 0.02 0.00 -1.00 0.00 0.00 55.73 55.47 1cm4 s ARG 74 Cb 0.13 -2.36 -0.03 0.00 0.00 0.00 0.00 34.95 32.70 1cm4 s ARG 74 CO 0.76 0.06 -0.06 0.15 0.00 0.00 0.00 175.30 176.21 1cm4 s LYS 75 N -3.22 2.68 -0.18 5.12 3.01 -1.26 -4.87 119.74 121.01 1cm4 s LYS 75 Ca 0.56 -0.61 0.00 0.00 -1.01 0.00 0.00 55.97 54.91 1cm4 s LYS 75 Cb -0.10 -2.56 0.01 0.00 -1.01 0.00 0.00 37.83 34.17 1cm4 s LYS 75 CO 0.19 0.64 -0.17 1.41 0.51 0.00 0.00 175.35 177.94 1cm4 s MET 76 N -1.06 3.08 1.01 1.68 -2.45 -1.26 -5.13 119.30 115.17 1cm4 s MET 76 Ca 0.14 -0.79 -0.13 0.00 -1.25 0.00 0.00 55.69 53.66 1cm4 s MET 76 Cb -0.11 -2.65 0.19 0.00 1.25 0.00 0.00 34.83 33.51 1cm4 s MET 76 CO 0.04 -0.19 1.11 0.15 1.05 0.00 0.00 175.02 177.18 1cm4 s LYS 77 N 1.28 0.32 -0.59 4.11 -0.14 -1.26 -4.89 119.74 118.58 1cm4 s LYS 77 Ca 0.04 0.38 -0.26 0.00 -1.36 0.00 0.00 55.97 54.77 1cm4 s LYS 77 Cb -0.13 -1.74 -0.03 0.00 -1.68 0.00 0.00 37.83 34.25 1cm4 s LYS 77 CO -0.10 -2.77 1.97 -0.51 -0.76 0.00 0.00 175.35 173.18 1cm4 s ASP 78 N -3.62 5.11 0.00 2.83 1.01 -1.26 -4.89 116.67 115.84 1cm4 s ASP 78 Ca 0.66 0.48 0.00 0.00 0.71 0.00 0.00 52.55 54.40 1cm4 s ASP 78 Cb -0.17 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1cm4 s ASP 78 CO 0.57 -2.48 0.39 0.35 0.21 0.00 0.00 175.17 174.21 1cm4 n THR 79 N 7.36 0.00 0.10 -1.27 -2.24 -1.26 -4.51 114.28 112.46 1cm4 n THR 79 Ca 0.24 0.88 -0.23 0.00 -2.27 0.00 0.00 64.05 62.67 1cm4 n THR 79 Cb 0.53 -1.87 -0.14 0.00 -2.10 0.00 0.00 70.33 66.75 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 0.87 -4.39 3.42 3.32 -2.00 -3.46 116.42 114.18 1cm4 h ASP 80 Ca 0.00 -0.84 -0.42 0.00 0.02 0.00 0.00 57.03 55.79 1cm4 h ASP 80 Cb 0.00 -0.28 -0.24 0.00 0.22 0.00 0.00 39.33 39.04 1cm4 h ASP 80 CO 0.00 1.63 -0.78 -0.44 -1.72 0.00 0.00 179.24 177.92 1cm4 s SER 81 N -7.44 1.57 0.16 6.45 0.01 -1.26 -5.04 113.70 108.14 1cm4 s SER 81 Ca -0.10 -0.50 -0.16 0.00 1.31 0.00 0.00 55.95 56.51 1cm4 s SER 81 Cb 0.05 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.24 1cm4 s SER 81 CO 0.93 -0.02 1.81 -0.08 0.41 0.00 0.00 173.24 176.30 1cm4 h GLU 82 N 4.74 0.52 -4.23 12.44 4.81 -1.91 -2.94 114.58 128.01 1cm4 h GLU 82 Ca -0.38 -0.03 -0.75 0.00 -0.13 0.00 0.00 59.36 58.07 1cm4 h GLU 82 Cb 1.19 -0.12 -0.18 0.00 0.63 0.00 0.00 28.75 30.27 1cm4 h GLU 82 CO 0.43 0.34 1.52 0.39 -0.73 0.00 0.00 179.01 180.96 1cm4 n GLU 83 N -4.82 3.50 0.21 1.92 1.02 -1.26 -4.60 120.64 116.60 1cm4 n GLU 83 Ca 0.01 -3.79 0.10 0.00 -0.02 0.00 0.00 57.16 53.46 1cm4 n GLU 83 Cb 0.04 -2.96 0.30 0.00 -0.02 0.00 0.00 31.44 28.80 1cm4 n GLU 83 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1cm4 h GLU 84 N 6.59 0.00 -0.56 3.49 4.22 -1.92 -3.07 114.58 123.33 1cm4 h GLU 84 Ca 0.33 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.74 1cm4 h GLU 84 Cb 0.78 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1cm4 h GLU 84 CO 1.37 0.19 0.19 0.82 -2.18 0.00 0.00 179.01 179.40 1cm4 h ILE 85 N 0.00 1.21 -0.81 2.32 2.04 -1.89 -2.36 117.51 118.03 1cm4 h ILE 85 Ca -0.00 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 1cm4 h ILE 85 Cb 0.95 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1cm4 h ILE 85 CO 0.02 0.27 0.36 -0.09 0.00 0.00 0.00 178.15 178.72 1cm4 h ARG 86 N 0.81 1.18 -0.35 2.37 9.65 -1.91 -0.10 114.38 126.03 1cm4 h ARG 86 Ca 0.19 -0.19 -0.11 0.00 -1.10 0.00 0.00 59.98 58.77 1cm4 h ARG 86 Cb 0.21 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1cm4 h ARG 86 CO -0.01 0.93 -0.24 1.49 2.80 0.00 0.00 179.97 184.94 1cm4 h GLU 87 N 1.15 0.69 -0.15 0.20 4.22 -1.53 -0.59 114.58 118.57 1cm4 h GLU 87 Ca 0.27 -0.27 -0.10 0.00 0.08 0.00 0.00 59.36 59.34 1cm4 h GLU 87 Cb 0.16 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1cm4 h GLU 87 CO -0.03 0.86 -0.35 0.00 -2.18 0.00 0.00 179.01 177.31 1cm4 h ALA 88 N 1.14 1.13 -0.09 2.92 0.00 -1.15 -2.62 119.26 120.58 1cm4 h ALA 88 Ca 0.08 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1cm4 h ALA 88 Cb 0.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1cm4 h ALA 88 CO 0.06 0.56 -0.52 0.35 0.00 0.00 0.00 179.25 179.69 1cm4 h PHE 89 N 0.27 0.32 0.00 0.00 3.57 -0.58 -2.89 116.94 117.63 1cm4 h PHE 89 Ca 0.03 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1cm4 h PHE 89 Cb 0.75 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1cm4 h PHE 89 CO 0.02 0.73 0.00 0.54 -2.23 0.00 0.00 178.31 177.37 1cm4 n ARG 90 N -3.94 0.18 0.05 1.11 1.74 -0.27 -0.94 116.66 114.60 1cm4 n ARG 90 Ca -0.02 0.35 -0.13 0.00 -0.77 0.00 0.00 57.85 57.28 1cm4 n ARG 90 Cb 0.56 -1.80 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 1cm4 n ARG 90 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1cm4 h VAL 91 N 0.00 1.38 0.15 1.55 2.07 -1.32 -3.36 116.25 116.71 1cm4 h VAL 91 Ca 0.00 -2.30 -0.28 0.00 0.82 0.00 0.00 66.70 64.94 1cm4 h VAL 91 Cb 0.43 2.28 0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1cm4 h VAL 91 CO 0.00 0.69 -1.39 -0.26 0.02 0.00 0.00 177.57 176.63 1cm4 h PHE 92 N 0.28 0.57 -1.32 1.57 -1.00 -1.43 -3.39 116.94 112.22 1cm4 h PHE 92 Ca -0.06 -0.41 -0.73 0.00 2.81 0.00 0.00 57.97 59.57 1cm4 h PHE 92 Cb 1.48 -0.02 -0.13 0.00 3.61 0.00 0.00 35.95 40.89 1cm4 h PHE 92 CO 0.06 1.54 2.03 -3.47 -1.61 0.00 0.00 178.31 176.87 1cm4 n ASP 93 N -3.87 4.91 0.15 2.17 2.03 -0.11 -4.77 116.55 117.06 1cm4 n ASP 93 Ca -0.22 -3.00 0.11 0.00 0.52 0.00 0.00 54.79 52.20 1cm4 n ASP 93 Cb 0.94 -1.57 0.55 0.00 -0.72 0.00 0.00 41.12 40.32 1cm4 n ASP 93 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1cm4 n LYS 94 N 5.34 0.16 -0.02 -0.67 5.02 -1.26 -1.80 118.16 124.92 1cm4 n LYS 94 Ca 0.42 0.57 0.05 0.00 -2.02 0.00 0.00 58.31 57.33 1cm4 n LYS 94 Cb 0.40 -1.93 0.06 0.00 -0.02 0.00 0.00 35.03 33.54 1cm4 n LYS 94 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1cm4 n ASP 95 N -2.24 2.02 -0.11 4.39 5.68 -1.26 -5.00 116.55 120.02 1cm4 n ASP 95 Ca -0.00 -1.52 -0.01 0.00 -0.50 0.00 0.00 54.79 52.75 1cm4 n ASP 95 Cb 0.10 -0.03 -0.01 0.00 -1.14 0.00 0.00 41.12 40.04 1cm4 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cm4 n GLY 96 N 0.57 0.44 0.00 6.12 0.00 -0.75 -4.89 105.19 106.68 1cm4 n GLY 96 Ca 0.07 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.18 0.00 0.00 1.61 6.94 -1.26 -4.86 115.26 117.50 1cm4 n ASN 97 Ca -0.01 -0.88 0.00 0.00 -0.02 0.00 0.00 54.58 53.66 1cm4 n ASN 97 Cb 0.20 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 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 0.68 0.58 3.02 4.83 0.00 -1.26 -5.05 105.19 108.00 1cm4 n GLY 98 Ca 0.20 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 -0.17 -0.23 1.61 1.51 -1.26 -4.01 117.35 112.80 1cm4 s TYR 99 Ca 0.00 0.43 -0.11 0.00 -1.01 0.00 0.00 57.07 56.38 1cm4 s TYR 99 Cb 0.00 0.04 -0.05 0.00 -0.11 0.00 0.00 41.96 41.84 1cm4 s TYR 99 CO 0.00 -0.10 0.19 0.42 -1.11 0.00 0.00 175.55 174.96 1cm4 s ILE 100 N 0.25 5.34 0.42 2.71 1.01 0.11 -4.79 121.20 126.26 1cm4 s ILE 100 Ca -0.01 0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.92 1cm4 s ILE 100 Cb -0.03 -3.53 -0.00 0.00 0.01 0.00 0.00 42.46 38.91 1cm4 s ILE 100 CO -0.01 0.35 0.61 -0.94 0.00 0.00 0.00 174.94 174.96 1cm4 s SER 101 N 0.93 5.85 0.41 3.58 1.04 -1.26 -1.43 113.70 122.82 1cm4 s SER 101 Ca 0.09 0.13 0.11 0.00 0.48 0.00 0.00 55.95 56.77 1cm4 s SER 101 Cb -0.13 -1.42 0.94 0.00 0.10 0.00 0.00 66.02 65.51 1cm4 s SER 101 CO 0.04 -0.64 1.98 0.00 0.98 0.00 0.00 173.24 175.60 1cm4 h ALA 102 N 0.53 1.90 -0.21 5.32 0.00 -1.94 -1.17 119.26 123.70 1cm4 h ALA 102 Ca -0.46 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1cm4 h ALA 102 Cb 1.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1cm4 h ALA 102 CO 0.56 -0.03 -0.16 0.00 0.00 0.00 0.00 179.25 179.62 1cm4 h ALA 103 N 1.68 0.31 -0.68 0.00 0.00 -1.98 -1.90 119.26 116.68 1cm4 h ALA 103 Ca 0.28 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1cm4 h ALA 103 Cb 0.43 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1cm4 h ALA 103 CO -0.08 0.20 0.22 0.93 0.00 0.00 0.00 179.25 180.51 1cm4 h GLU 104 N 0.17 1.04 -0.49 0.00 5.08 -1.77 -0.51 114.58 118.10 1cm4 h GLU 104 Ca 0.04 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.08 1cm4 h GLU 104 Cb 0.68 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1cm4 h GLU 104 CO 0.04 0.89 -0.15 1.25 -1.00 0.00 0.00 179.01 180.04 1cm4 h LEU 105 N 1.01 0.98 -1.65 1.33 5.85 -1.24 -0.53 115.31 121.06 1cm4 h LEU 105 Ca 0.22 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1cm4 h LEU 105 Cb 0.28 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1cm4 h LEU 105 CO -0.01 1.13 -0.20 -0.09 -0.34 0.00 0.00 178.44 178.93 1cm4 h ARG 106 N 0.82 0.00 -0.16 1.25 2.43 -0.87 -1.96 114.38 115.89 1cm4 h ARG 106 Ca 0.12 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.08 1cm4 h ARG 106 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1cm4 h ARG 106 CO 0.05 0.20 -0.72 0.45 -1.51 0.00 0.00 179.97 178.44 1cm4 h HIS 107 N 0.00 0.94 -0.31 2.20 3.86 -0.55 -1.88 115.15 119.42 1cm4 h HIS 107 Ca -0.00 -0.40 -0.16 0.00 -1.16 0.00 0.00 60.37 58.65 1cm4 h HIS 107 Cb 0.44 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1cm4 h HIS 107 CO 0.00 1.21 -0.43 0.28 0.86 0.00 0.00 177.93 179.85 1cm4 h VAL 108 N 0.50 1.29 -0.12 2.45 2.07 -0.73 -3.12 116.25 118.58 1cm4 h VAL 108 Ca -0.03 -1.61 -0.16 0.00 0.82 0.00 0.00 66.70 65.72 1cm4 h VAL 108 Cb 1.33 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1cm4 h VAL 108 CO 0.14 0.52 -0.60 0.24 0.02 0.00 0.00 177.57 177.90 1cm4 h MET 109 N 0.63 0.41 -0.41 1.57 2.07 -1.40 -1.77 114.93 116.04 1cm4 h MET 109 Ca 0.04 -0.28 -0.01 0.00 -2.07 0.00 0.00 59.70 57.38 1cm4 h MET 109 Cb 0.99 0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.74 1cm4 h MET 109 CO 0.09 0.89 0.21 1.15 1.07 0.00 0.00 176.91 180.32 1cm4 h THR 110 N 0.31 1.17 -0.00 2.22 2.02 -1.33 -0.78 112.91 116.52 1cm4 h THR 110 Ca -0.00 -0.46 -0.17 0.00 0.77 0.00 0.00 66.41 66.54 1cm4 h THR 110 Cb 1.13 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1cm4 h THR 110 CO 0.10 0.18 -0.81 -1.13 0.37 0.00 0.00 175.52 174.23 1cm4 h ASN 111 N 0.53 0.06 0.24 4.18 -1.24 -1.54 -3.11 115.58 114.69 1cm4 h ASN 111 Ca 0.14 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.10 1cm4 h ASN 111 Cb 0.10 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.13 1cm4 h ASN 111 CO -0.02 0.84 0.00 0.18 -1.29 0.00 0.00 177.43 177.14 1cm4 n LEU 112 N -3.61 0.00 -0.65 0.34 4.77 -0.67 -4.90 117.00 112.28 1cm4 n LEU 112 Ca -0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1cm4 n LEU 112 Cb 0.77 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1cm4 n LEU 112 CO 0.45 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1cm4 n GLY 113 N 0.65 0.42 3.16 -0.72 0.00 -0.89 -4.77 105.19 103.04 1cm4 n GLY 113 Ca 0.15 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.43 0.68 -0.37 1.61 0.41 -0.35 -4.91 118.70 113.35 1cm4 s GLU 114 Ca 0.00 -0.75 0.00 0.00 -0.41 0.00 0.00 54.97 53.82 1cm4 s GLU 114 Cb 0.00 0.28 0.12 0.00 -1.78 0.00 0.00 34.13 32.75 1cm4 s GLU 114 CO 0.00 -0.19 0.19 0.15 -0.49 0.00 0.00 175.26 174.91 1cm4 s LYS 115 N -2.85 0.88 0.03 1.61 -0.14 -1.26 -4.37 119.74 113.63 1cm4 s LYS 115 Ca -0.03 -1.49 0.06 0.00 -1.36 0.00 0.00 55.97 53.16 1cm4 s LYS 115 Cb 0.00 -1.91 -0.03 0.00 -1.68 0.00 0.00 37.83 34.21 1cm4 s LYS 115 CO -0.06 -1.12 -0.16 -0.51 -0.76 0.00 0.00 175.35 172.75 1cm4 s LEU 116 N 0.99 2.71 0.59 3.17 1.43 -1.26 -5.13 118.68 121.18 1cm4 s LEU 116 Ca 0.15 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.76 1cm4 s LEU 116 Cb -0.22 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 1cm4 s LEU 116 CO -0.09 0.27 1.02 -0.89 0.23 0.00 0.00 176.35 176.88 1cm4 s THR 117 N -0.92 4.62 0.41 5.49 2.01 -1.26 -4.92 115.64 121.08 1cm4 s THR 117 Ca 0.15 0.99 0.08 0.00 0.31 0.00 0.00 61.69 63.21 1cm4 s THR 117 Cb -0.11 -3.80 0.24 0.00 0.01 0.00 0.00 72.50 68.84 1cm4 s THR 117 CO 0.05 -0.98 2.03 0.44 -0.69 0.00 0.00 174.62 175.47 1cm4 h ASP 118 N 0.09 0.40 0.19 3.53 3.32 -2.00 -1.08 116.42 120.88 1cm4 h ASP 118 Ca -0.45 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 1cm4 h ASP 118 Cb 1.19 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1cm4 h ASP 118 CO 0.62 0.34 -0.50 -0.08 -1.72 0.00 0.00 179.24 177.90 1cm4 h GLU 119 N 0.46 0.35 -0.28 3.56 4.57 -1.98 -0.20 114.58 121.06 1cm4 h GLU 119 Ca 0.12 -0.20 -0.14 0.00 -1.18 0.00 0.00 59.36 57.96 1cm4 h GLU 119 Cb 0.03 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1cm4 h GLU 119 CO -0.02 0.77 -0.38 0.93 -1.18 0.00 0.00 179.01 179.13 1cm4 h GLU 120 N 0.28 0.66 -0.16 1.92 5.08 -1.62 -1.34 114.58 119.39 1cm4 h GLU 120 Ca 0.01 -0.33 -0.19 0.00 -1.00 0.00 0.00 59.36 57.86 1cm4 h GLU 120 Cb 0.98 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1cm4 h GLU 120 CO 0.08 0.93 -0.66 0.28 -1.00 0.00 0.00 179.01 178.64 1cm4 h VAL 121 N 0.54 1.32 -0.63 3.13 2.07 -1.13 -1.65 116.25 119.91 1cm4 h VAL 121 Ca 0.05 -1.93 -0.02 0.00 0.82 0.00 0.00 66.70 65.63 1cm4 h VAL 121 Cb 0.90 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 1cm4 h VAL 121 CO 0.08 0.60 0.33 -0.78 0.02 0.00 0.00 177.57 177.82 1cm4 h ASP 122 N 0.45 0.78 -0.17 0.57 3.58 -0.82 -0.54 116.42 120.26 1cm4 h ASP 122 Ca -0.02 -0.07 -0.18 0.00 0.42 0.00 0.00 57.03 57.18 1cm4 h ASP 122 Cb 1.24 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 1cm4 h ASP 122 CO 0.13 0.64 -0.58 -0.33 -2.88 0.00 0.00 179.24 176.22 1cm4 h GLU 123 N 0.88 0.77 -0.95 0.28 5.08 -1.11 -1.29 114.58 118.24 1cm4 h GLU 123 Ca 0.22 -0.51 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1cm4 h GLU 123 Cb 0.05 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1cm4 h GLU 123 CO -0.03 1.13 0.63 0.52 -1.00 0.00 0.00 179.01 180.26 1cm4 h MET 124 N 0.59 1.26 -0.07 2.33 2.86 -0.54 0.04 114.93 121.39 1cm4 h MET 124 Ca 0.00 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1cm4 h MET 124 Cb 1.17 -0.28 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 1cm4 h MET 124 CO 0.12 0.83 0.02 0.82 1.06 0.00 0.00 176.91 179.77 1cm4 h ILE 125 N 1.29 1.17 -0.72 -1.22 1.08 -0.99 -2.44 117.51 115.68 1cm4 h ILE 125 Ca 0.35 -0.50 0.04 0.00 -0.39 0.00 0.00 64.86 64.36 1cm4 h ILE 125 Cb -0.14 1.37 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 1cm4 h ILE 125 CO -0.07 0.14 0.44 0.03 -0.69 0.00 0.00 178.15 178.00 1cm4 h ARG 126 N -0.07 0.81 0.00 2.37 3.08 -0.65 0.94 114.38 120.86 1cm4 h ARG 126 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1cm4 h ARG 126 Cb 0.21 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1cm4 h ARG 126 CO -0.00 0.53 0.00 0.93 -1.07 0.00 0.00 179.97 180.36 1cm4 h GLU 127 N 0.83 0.00 0.00 0.04 4.39 -0.88 -2.19 114.58 116.77 1cm4 h GLU 127 Ca 0.30 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 1cm4 h GLU 127 Cb 0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1cm4 h GLU 127 CO -0.14 0.00 -1.62 0.00 -1.16 0.00 0.00 179.01 176.10 1cm4 n ALA 128 N -2.05 2.65 -2.67 3.43 0.00 -0.64 -4.97 120.51 116.27 1cm4 n ALA 128 Ca 0.00 -0.43 -0.40 0.00 0.00 0.00 0.00 53.44 52.61 1cm4 n ALA 128 Cb 0.27 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 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 -4.89 7.12 -0.18 0.00 -1.08 0.23 -4.77 116.67 113.11 1cm4 s ASP 129 Ca -0.05 1.35 -0.08 0.00 -0.52 0.00 0.00 52.55 53.25 1cm4 s ASP 129 Cb 0.12 -2.46 -0.08 0.00 -1.46 0.00 0.00 42.92 39.04 1cm4 s ASP 129 CO 0.86 -0.14 -0.22 -0.38 0.52 0.00 0.00 175.17 175.82 1cm4 n ILE 130 N 3.67 0.96 0.20 4.11 5.41 -1.26 -4.73 119.36 127.73 1cm4 n ILE 130 Ca 0.01 -0.26 0.10 0.00 1.00 0.00 0.00 62.75 63.60 1cm4 n ILE 130 Cb 0.51 -1.68 0.13 0.00 -0.71 0.00 0.00 39.64 37.90 1cm4 n ILE 130 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1cm4 h ASP 131 N -0.57 0.00 -0.04 4.38 3.04 -1.96 -3.48 116.42 117.79 1cm4 h ASP 131 Ca -0.44 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.35 1cm4 h ASP 131 Cb 1.41 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.70 1cm4 h ASP 131 CO -0.25 0.08 0.00 0.61 -2.04 0.00 0.00 179.24 177.64 1cm4 n GLY 132 N 1.13 0.82 0.81 7.15 0.00 -1.26 -4.99 105.19 108.84 1cm4 n GLY 132 Ca 0.03 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 1.44 2.42 -0.00 1.61 5.68 -1.26 -4.95 116.55 121.49 1cm4 n ASP 133 Ca 0.00 -1.85 -0.00 0.00 -0.50 0.00 0.00 54.79 52.44 1cm4 n ASP 133 Cb 0.37 -0.17 -0.00 0.00 -1.14 0.00 0.00 41.12 40.17 1cm4 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cm4 n GLY 134 N 1.28 0.50 3.48 6.12 0.00 -1.26 -5.03 105.19 110.28 1cm4 n GLY 134 Ca 0.17 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.04 1.84 -0.29 1.61 -0.21 -1.26 -4.61 119.66 116.71 1cm4 s GLN 135 Ca 0.00 -2.10 0.03 0.00 0.02 0.00 0.00 55.36 53.31 1cm4 s GLN 135 Cb 0.00 -0.56 0.08 0.00 1.00 0.00 0.00 33.01 33.53 1cm4 s GLN 135 CO 0.00 -0.44 -0.04 0.08 -2.12 0.00 0.00 175.29 172.77 1cm4 s VAL 136 N -3.28 2.11 0.27 1.09 1.01 -0.52 -4.71 120.40 116.37 1cm4 s VAL 136 Ca 0.27 -1.84 -0.04 0.00 0.00 0.00 0.00 61.98 60.38 1cm4 s VAL 136 Cb 0.04 -2.36 0.06 0.00 0.00 0.00 0.00 36.38 34.12 1cm4 s VAL 136 CO 0.15 -0.25 0.37 -0.46 0.00 0.00 0.00 175.10 174.91 1cm4 n ASN 137 N 4.40 0.12 -0.13 3.32 0.23 -1.26 -0.71 115.26 121.23 1cm4 n ASN 137 Ca -0.07 -1.19 -0.12 0.00 -0.53 0.00 0.00 54.58 52.66 1cm4 n ASN 137 Cb 0.42 -0.28 -0.02 0.00 -2.08 0.00 0.00 39.78 37.83 1cm4 n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1cm4 h TYR 138 N -1.04 1.05 -0.87 -2.53 3.20 -2.01 -2.57 116.97 112.20 1cm4 h TYR 138 Ca -0.12 -0.28 -0.01 0.00 3.14 0.00 0.00 58.73 61.45 1cm4 h TYR 138 Cb 0.35 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 1cm4 h TYR 138 CO 0.00 1.08 0.49 0.93 -1.64 0.00 0.00 178.16 179.03 1cm4 h GLU 139 N 0.72 1.21 0.00 1.82 3.07 -1.94 -1.48 114.58 117.97 1cm4 h GLU 139 Ca 0.08 -0.13 -0.13 0.00 -0.50 0.00 0.00 59.36 58.68 1cm4 h GLU 139 Cb 0.85 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.50 1cm4 h GLU 139 CO 0.07 0.87 -0.62 0.93 -1.40 0.00 0.00 179.01 178.87 1cm4 h GLU 140 N 1.21 0.00 -0.32 2.33 5.08 -1.86 -1.21 114.58 119.81 1cm4 h GLU 140 Ca 0.31 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.57 1cm4 h GLU 140 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1cm4 h GLU 140 CO -0.05 0.62 -0.19 0.35 -1.00 0.00 0.00 179.01 178.74 1cm4 h PHE 141 N 0.00 0.81 -0.42 4.33 3.57 -0.99 -2.16 116.94 122.08 1cm4 h PHE 141 Ca -0.01 -0.21 -0.06 0.00 3.53 0.00 0.00 57.97 61.22 1cm4 h PHE 141 Cb 1.21 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1cm4 h PHE 141 CO 0.00 0.93 0.04 0.28 -2.23 0.00 0.00 178.31 177.33 1cm4 h VAL 142 N 0.46 1.25 -0.26 1.41 2.07 -1.23 -2.83 116.25 117.12 1cm4 h VAL 142 Ca 0.07 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.69 1cm4 h VAL 142 Cb 0.74 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 1cm4 h VAL 142 CO 0.05 0.32 -0.06 -0.61 0.02 0.00 0.00 177.57 177.30 1cm4 h GLN 143 N 0.56 0.01 -0.35 1.57 5.75 -1.16 0.20 115.11 121.70 1cm4 h GLN 143 Ca 0.12 -0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.68 1cm4 h GLN 143 Cb 0.42 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 1cm4 h GLN 143 CO 0.01 0.01 0.24 0.52 -2.65 0.00 0.00 178.83 176.96 1cm4 h MET 144 N 0.01 0.23 0.00 1.69 2.86 -1.26 -2.92 114.93 115.54 1cm4 h MET 144 Ca 0.13 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1cm4 h MET 144 Cb 0.19 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1cm4 h MET 144 CO -0.26 0.15 -1.41 -1.33 1.06 0.00 0.00 176.91 175.12 1cm4 n MET 145 N -4.48 0.48 0.00 1.72 2.81 -0.50 -5.12 117.12 112.03 1cm4 n MET 145 Ca 0.04 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1cm4 n MET 145 Cb 0.25 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 1cm4 n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73