#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roh s SER 2 N 0.00 1.86 0.15 1.61 1.04 -1.26 -5.06 113.70 112.04 2roh s SER 2 Ca 0.00 -1.04 -0.09 0.00 0.48 0.00 0.00 55.95 55.30 2roh s SER 2 Cb 0.00 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 2roh s SER 2 CO 0.00 -0.34 1.49 1.55 0.98 0.00 0.00 173.24 176.92 2roh h PRO 3 N 2.72 0.89 -3.61 4.02 0.13 -2.13 -3.47 132.00 130.55 2roh h PRO 3 Ca -0.37 -0.47 -0.41 0.00 -0.87 0.00 0.00 66.00 63.89 2roh h PRO 3 Cb 1.20 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.35 2roh h PRO 3 CO 0.63 1.12 -0.55 0.34 -0.23 0.00 0.00 178.00 179.31 2roh n PHE 4 N -4.05 -1.38 -3.94 1.56 7.35 -1.26 -4.97 117.46 110.77 2roh n PHE 4 Ca -0.02 0.19 -0.35 0.00 -0.76 0.00 0.00 57.45 56.51 2roh n PHE 4 Cb 0.55 -4.09 -0.13 0.00 0.35 0.00 0.00 39.48 36.15 2roh n PHE 4 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2roh s ALA 5 N -3.07 2.93 -0.56 3.13 0.00 -1.26 -5.07 121.76 117.86 2roh s ALA 5 Ca 0.11 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 2roh s ALA 5 Cb -0.05 -1.78 0.14 0.00 0.00 0.00 0.00 23.12 21.43 2roh s ALA 5 CO 0.14 -0.35 0.44 0.34 0.00 0.00 0.00 175.76 176.32 2roh s ASP 6 N 1.36 5.80 0.35 0.00 2.15 -1.26 -4.92 116.67 120.15 2roh s ASP 6 Ca 0.04 -2.22 0.14 0.00 0.43 0.00 0.00 52.55 50.94 2roh s ASP 6 Cb -0.15 -2.02 0.63 0.00 -0.30 0.00 0.00 42.92 41.08 2roh s ASP 6 CO -0.00 -0.62 1.75 1.55 -0.17 0.00 0.00 175.17 177.68 2roh h PRO 7 N 8.08 0.00 -4.72 4.34 0.13 -2.04 -3.42 132.00 134.37 2roh h PRO 7 Ca -0.12 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.42 2roh h PRO 7 Cb 1.05 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.83 2roh h PRO 7 CO 0.82 0.44 -0.83 1.21 -0.23 0.00 0.00 178.00 179.41 2roh s ASN 8 N -6.78 2.49 -0.38 1.44 3.04 -1.26 -5.02 114.94 108.47 2roh s ASN 8 Ca -0.02 -0.44 0.10 0.00 0.04 0.00 0.00 52.86 52.54 2roh s ASN 8 Cb 0.13 -1.11 0.44 0.00 -1.54 0.00 0.00 41.25 39.18 2roh s ASN 8 CO 0.72 -0.00 1.08 -0.24 -3.04 0.00 0.00 177.10 175.62 2roh n SER 9 N 4.34 3.63 -3.82 -4.21 2.88 -1.26 -5.03 113.62 110.15 2roh n SER 9 Ca -0.18 -3.33 -0.22 0.00 -1.33 0.00 0.00 58.87 53.81 2roh n SER 9 Cb 0.51 -0.46 -0.17 0.00 -0.75 0.00 0.00 64.21 63.33 2roh n SER 9 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2roh s LEU 10 N -3.45 0.92 0.00 2.46 0.20 -1.26 -5.13 118.68 112.42 2roh s LEU 10 Ca 0.41 -0.10 -0.23 0.00 0.69 0.00 0.00 54.13 54.90 2roh s LEU 10 Cb 0.41 -0.44 0.08 0.00 -0.43 0.00 0.00 46.19 45.81 2roh s LEU 10 CO -0.09 -0.13 1.04 0.00 -0.29 0.00 0.00 176.35 176.88 2roh n ALA 11 N 4.67 -2.87 -0.27 5.97 0.00 -1.26 -5.17 120.51 121.58 2roh n ALA 11 Ca -0.15 -0.78 -0.30 0.00 0.00 0.00 0.00 53.44 52.22 2roh n ALA 11 Cb 0.50 0.27 0.28 0.00 0.00 0.00 0.00 19.45 20.51 2roh n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2roh n LEU 12 N 0.00 -0.56 0.00 0.00 4.77 -1.26 -4.95 117.00 115.00 2roh n LEU 12 Ca 0.02 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 2roh n LEU 12 Cb 0.51 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 2roh n LEU 12 CO 0.15 -4.40 0.39 0.00 -1.33 0.00 0.00 177.39 172.20 2roh n ALA 13 N -5.68 -0.18 -3.17 -1.18 0.00 -1.26 -4.70 120.51 104.34 2roh n ALA 13 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 2roh n ALA 13 Cb 0.58 0.14 -0.17 0.00 0.00 0.00 0.00 19.45 20.00 2roh n ALA 13 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2roh s ASN 14 N -2.36 2.68 -0.10 0.00 -0.87 -1.26 -5.13 114.94 107.91 2roh s ASN 14 Ca 0.00 -0.47 0.02 0.00 -1.57 0.00 0.00 52.86 50.84 2roh s ASN 14 Cb 0.00 -1.10 -0.01 0.00 -0.02 0.00 0.00 41.25 40.12 2roh s ASN 14 CO 0.00 0.14 -0.17 0.54 -2.57 0.00 0.00 177.10 175.05 2roh s VAL 15 N 0.30 2.77 0.03 1.60 0.11 -1.26 -5.03 120.40 118.92 2roh s VAL 15 Ca -0.14 -0.79 -0.21 0.00 -2.93 0.00 0.00 61.98 57.92 2roh s VAL 15 Cb -0.16 -2.11 -0.15 0.00 -1.53 0.00 0.00 36.38 32.43 2roh s VAL 15 CO 0.06 0.55 1.34 1.55 -3.33 0.00 0.00 175.10 175.27 2roh h PRO 16 N 6.28 0.33 -3.96 1.54 0.13 -2.02 -3.47 132.00 130.82 2roh h PRO 16 Ca -0.31 -0.17 -0.39 0.00 -0.87 0.00 0.00 66.00 64.26 2roh h PRO 16 Cb 1.20 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.34 2roh h PRO 16 CO 0.52 0.72 -0.54 -0.11 -0.23 0.00 0.00 178.00 178.35 2roh n LEU 17 N -4.58 -2.14 0.00 1.56 7.94 -1.26 -4.94 117.00 113.58 2roh n LEU 17 Ca -0.06 -0.14 -0.09 0.00 -1.11 0.00 0.00 56.01 54.61 2roh n LEU 17 Cb 0.35 -2.80 -0.01 0.00 0.53 0.00 0.00 43.42 41.50 2roh n LEU 17 CO 0.39 0.02 0.20 -1.54 -1.11 0.00 0.00 177.39 175.35 2roh n SER 18 N -2.24 -1.16 0.00 1.96 3.41 -1.26 -5.12 113.62 109.20 2roh n SER 18 Ca -0.16 -2.23 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 2roh n SER 18 Cb 0.64 2.06 0.00 0.00 -0.26 0.00 0.00 64.21 66.65 2roh n SER 18 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2roh n ARG 19 N -0.39 0.00 -3.28 4.33 3.00 -1.26 -5.14 116.66 113.93 2roh n ARG 19 Ca -0.02 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.86 2roh n ARG 19 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.83 2roh n ARG 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2roh s SER 20 N -2.51 -0.38 0.37 6.15 0.15 -1.26 -5.18 113.70 111.03 2roh s SER 20 Ca 0.00 0.46 -0.11 0.00 0.70 0.00 0.00 55.95 57.00 2roh s SER 20 Cb 0.00 1.41 0.04 0.00 -1.71 0.00 0.00 66.02 65.76 2roh s SER 20 CO 0.00 -0.07 0.69 2.29 1.20 0.00 0.00 173.24 177.34 2roh n LYS 21 N 4.94 0.99 -3.26 5.44 2.85 -1.26 -5.03 118.16 122.83 2roh n LYS 21 Ca -0.08 -2.29 -0.13 0.00 -1.05 0.00 0.00 58.31 54.76 2roh n LYS 21 Cb 0.54 2.66 0.01 0.00 -0.65 0.00 0.00 35.03 37.58 2roh n LYS 21 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2roh n ARG 22 N -0.53 -1.68 -2.19 -1.58 1.74 -1.26 -4.88 116.66 106.28 2roh n ARG 22 Ca -0.06 1.43 -0.42 0.00 -0.77 0.00 0.00 57.85 58.03 2roh n ARG 22 Cb 0.57 -4.37 -0.03 0.00 -1.02 0.00 0.00 32.46 27.61 2roh n ARG 22 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2roh s PRO 23 N -3.34 4.30 -0.09 5.56 0.04 -1.26 -5.00 135.00 135.21 2roh s PRO 23 Ca 0.10 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 62.92 2roh s PRO 23 Cb -0.02 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 2roh s PRO 23 CO 0.81 -0.51 0.79 0.34 0.04 0.00 0.00 177.00 178.47 2roh s ASP 24 N 1.53 7.03 -0.04 6.66 -1.08 -1.26 -5.02 116.67 124.50 2roh s ASP 24 Ca 0.65 1.25 -0.31 0.00 -0.52 0.00 0.00 52.55 53.62 2roh s ASP 24 Cb -0.34 -2.45 0.11 0.00 -1.46 0.00 0.00 42.92 38.78 2roh s ASP 24 CO 0.29 -0.23 1.14 0.12 0.52 0.00 0.00 175.17 177.00 2roh s PHE 25 N 1.29 -0.13 0.00 -5.34 5.36 -1.26 -5.10 117.98 112.80 2roh s PHE 25 Ca 0.40 0.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.37 2roh s PHE 25 Cb -0.18 0.55 0.00 0.00 -0.34 0.00 0.00 43.02 43.05 2roh s PHE 25 CO 0.18 -0.40 0.00 0.41 -1.46 0.00 0.00 175.22 173.95 2roh n GLY 26 N -0.32 3.19 3.69 13.12 0.00 -1.26 -5.17 105.19 118.44 2roh n GLY 26 Ca -0.05 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 2roh n GLY 26 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2roh s GLN 27 N 3.15 2.48 -1.20 1.61 0.74 -1.26 -5.04 119.66 120.15 2roh s GLN 27 Ca 0.00 -1.12 -0.21 0.00 0.05 0.00 0.00 55.36 54.09 2roh s GLN 27 Cb 0.00 -2.38 0.01 0.00 1.10 0.00 0.00 33.01 31.75 2roh s GLN 27 CO 0.00 0.44 1.77 0.50 -0.55 0.00 0.00 175.29 177.45 2roh s ARG 28 N -3.11 3.40 0.02 1.67 3.00 -1.26 -4.90 118.95 117.77 2roh s ARG 28 Ca 0.29 -1.51 0.02 0.00 -1.00 0.00 0.00 55.73 53.52 2roh s ARG 28 Cb -0.09 -5.39 -0.02 0.00 0.00 0.00 0.00 34.95 29.45 2roh s ARG 28 CO 0.20 -2.83 -0.06 0.50 0.00 0.00 0.00 175.30 173.11 2roh s ARG 29 N 5.18 0.44 0.08 5.12 6.06 -1.26 -5.04 118.95 129.53 2roh s ARG 29 Ca 0.58 -0.52 0.19 0.00 -2.50 0.00 0.00 55.73 53.48 2roh s ARG 29 Cb 0.01 -0.27 -0.12 0.00 0.06 0.00 0.00 34.95 34.64 2roh s ARG 29 CO 0.06 0.05 0.82 -0.89 -2.50 0.00 0.00 175.30 172.85 2roh n ILE 30 N 2.02 0.96 0.30 4.11 2.08 -1.26 -3.90 119.36 123.67 2roh n ILE 30 Ca -0.19 -0.65 0.18 0.00 0.56 0.00 0.00 62.75 62.65 2roh n ILE 30 Cb 0.56 -0.57 0.80 0.00 -0.75 0.00 0.00 39.64 39.68 2roh n ILE 30 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2roh h ARG 31 N 0.00 0.00 -7.09 0.38 3.08 -1.99 -3.44 114.38 105.33 2roh h ARG 31 Ca -0.13 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.43 2roh h ARG 31 Cb 1.41 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.51 2roh h ARG 31 CO 0.03 0.00 0.21 1.03 -1.07 0.00 0.00 179.97 180.17 2roh s ARG 32 N -3.74 3.48 0.76 0.04 0.52 -1.25 -5.08 118.95 113.67 2roh s ARG 32 Ca -0.00 0.34 -0.13 0.00 -0.52 0.00 0.00 55.73 55.42 2roh s ARG 32 Cb 0.10 -2.27 0.19 0.00 0.52 0.00 0.00 34.95 33.49 2roh s ARG 32 CO 0.48 -0.38 0.68 -0.35 0.02 0.00 0.00 175.30 175.75 2roh n PRO 33 N -2.45 -2.34 -4.38 3.54 -0.04 -1.26 -5.04 135.00 123.03 2roh n PRO 33 Ca 0.03 -1.08 -0.25 0.00 -0.04 0.00 0.00 63.50 62.16 2roh n PRO 33 Cb 0.55 -1.01 -0.09 0.00 -0.04 0.00 0.00 33.50 32.91 2roh n PRO 33 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2roh s PHE 34 N -2.23 2.51 0.08 0.54 -0.12 -1.26 -5.06 117.98 112.43 2roh s PHE 34 Ca 0.44 -0.40 -0.00 0.00 -0.05 0.00 0.00 56.93 56.91 2roh s PHE 34 Cb -0.04 -1.36 -0.04 0.00 -0.63 0.00 0.00 43.02 40.94 2roh s PHE 34 CO 0.34 0.55 0.23 0.99 -0.05 0.00 0.00 175.22 177.27 2roh s THR 35 N -2.51 5.37 0.37 -4.49 2.01 -1.26 -4.95 115.64 110.18 2roh s THR 35 Ca 0.33 -0.39 0.14 0.00 0.31 0.00 0.00 61.69 62.08 2roh s THR 35 Cb -0.01 -3.64 0.36 0.00 0.01 0.00 0.00 72.50 69.21 2roh s THR 35 CO 0.18 0.11 1.81 1.62 -0.69 0.00 0.00 174.62 177.65 2roh h VAL 36 N 2.03 0.66 -0.02 3.82 3.04 -1.99 0.20 116.25 123.99 2roh h VAL 36 Ca -0.45 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.03 2roh h VAL 36 Cb 1.16 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2roh h VAL 36 CO 0.75 0.10 -0.07 0.00 -1.01 0.00 0.00 177.57 177.34 2roh h ALA 37 N 1.62 0.04 -0.62 3.17 0.00 -1.99 -1.67 119.26 119.81 2roh h ALA 37 Ca 0.53 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2roh h ALA 37 Cb 1.14 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2roh h ALA 37 CO -0.27 -0.10 0.40 0.93 0.00 0.00 0.00 179.25 180.20 2roh h GLU 38 N -0.49 0.77 -0.36 0.00 4.39 -1.66 -2.03 114.58 115.20 2roh h GLU 38 Ca -0.00 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 2roh h GLU 38 Cb 0.68 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2roh h GLU 38 CO 0.01 0.51 0.04 0.28 -1.16 0.00 0.00 179.01 178.69 2roh h VAL 39 N 0.80 1.25 -0.23 3.13 2.07 -0.71 -1.12 116.25 121.43 2roh h VAL 39 Ca 0.24 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.92 2roh h VAL 39 Cb -0.03 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 2roh h VAL 39 CO -0.08 0.30 -0.11 -0.33 0.02 0.00 0.00 177.57 177.36 2roh h GLU 40 N 0.44 -0.08 -0.35 1.57 5.08 -0.97 0.26 114.58 120.52 2roh h GLU 40 Ca 0.11 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2roh h GLU 40 Cb 0.39 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2roh h GLU 40 CO 0.01 -0.06 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.77 2roh h LEU 41 N -0.09 0.60 0.41 1.33 3.38 -1.33 -0.98 115.31 118.64 2roh h LEU 41 Ca 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2roh h LEU 41 Cb 0.27 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2roh h LEU 41 CO -0.29 0.76 -0.20 0.25 0.09 0.00 0.00 178.44 179.06 2roh h LEU 42 N 0.56 -0.46 -0.93 1.67 5.85 -0.27 0.23 115.31 121.96 2roh h LEU 42 Ca 0.10 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.96 2roh h LEU 42 Cb 0.55 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.61 2roh h LEU 42 CO 0.03 -0.25 0.55 1.62 -0.34 0.00 0.00 178.44 180.06 2roh h VAL 43 N -0.71 0.85 -0.18 1.05 3.04 -0.58 0.41 116.25 120.12 2roh h VAL 43 Ca -0.06 -0.29 -0.08 0.00 -1.01 0.00 0.00 66.70 65.27 2roh h VAL 43 Cb 0.42 -0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.62 2roh h VAL 43 CO 0.09 0.15 -0.23 -0.08 -1.01 0.00 0.00 177.57 176.49 2roh h GLU 44 N 0.84 0.33 -0.06 4.17 4.81 -1.20 0.28 114.58 123.75 2roh h GLU 44 Ca 0.48 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 2roh h GLU 44 Cb 0.55 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 2roh h GLU 44 CO -0.30 0.55 0.00 0.00 -0.73 0.00 0.00 179.01 178.53 2roh h ALA 45 N 1.47 0.08 -0.00 2.92 0.00 0.12 0.24 119.26 124.09 2roh h ALA 45 Ca 0.05 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 2roh h ALA 45 Cb 0.58 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2roh h ALA 45 CO 0.04 -0.26 -0.85 -0.24 0.00 0.00 0.00 179.25 177.94 2roh h VAL 46 N -0.17 1.50 -0.11 0.00 3.04 -1.27 -3.27 116.25 115.98 2roh h VAL 46 Ca 0.02 -2.60 -0.07 0.00 -1.01 0.00 0.00 66.70 63.04 2roh h VAL 46 Cb 0.31 2.44 0.00 0.00 -2.01 0.00 0.00 31.29 32.03 2roh h VAL 46 CO 0.00 0.76 -0.21 -0.08 -1.01 0.00 0.00 177.57 177.03 2roh h GLU 47 N 0.09 0.33 -0.79 4.17 4.81 -0.40 0.28 114.58 123.07 2roh h GLU 47 Ca -0.04 -0.21 0.23 0.00 -0.13 0.00 0.00 59.36 59.21 2roh h GLU 47 Cb 1.46 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.84 2roh h GLU 47 CO 0.13 0.81 0.61 1.25 -0.73 0.00 0.00 179.01 181.07 2roh h HIS 48 N -0.10 0.00 0.00 0.92 2.76 -0.59 0.23 115.15 118.37 2roh h HIS 48 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2roh h HIS 48 Cb 0.80 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.76 2roh h HIS 48 CO 0.11 0.00 -1.36 1.28 -1.30 0.00 0.00 177.93 176.65 2roh n LEU 49 N -4.14 0.36 0.00 0.26 4.77 -1.16 -5.06 117.00 112.03 2roh n LEU 49 Ca 0.16 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2roh n LEU 49 Cb 0.90 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 2roh n LEU 49 CO 0.36 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2roh n GLY 50 N 1.46 1.76 2.45 -0.72 0.00 0.98 -4.47 105.19 106.64 2roh n GLY 50 Ca -0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 2roh n GLY 50 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2roh s THR 51 N 0.00 0.16 0.00 2.61 -1.32 -1.26 -4.48 115.64 111.35 2roh s THR 51 Ca 0.00 -1.84 0.00 0.00 -1.21 0.00 0.00 61.69 58.64 2roh s THR 51 Cb 0.00 -1.13 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 2roh s THR 51 CO 0.00 -1.03 0.00 0.61 -2.21 0.00 0.00 174.62 171.99 2roh n GLY 52 N 3.87 4.42 3.82 6.08 0.00 -1.26 -5.14 105.19 116.98 2roh n GLY 52 Ca 0.15 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 2roh n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2roh s ARG 53 N 3.56 4.20 0.10 1.61 1.81 -1.26 -4.99 118.95 123.99 2roh s ARG 53 Ca 0.00 0.80 -0.16 0.00 -1.72 0.00 0.00 55.73 54.64 2roh s ARG 53 Cb 0.00 -2.92 -0.05 0.00 -0.45 0.00 0.00 34.95 31.53 2roh s ARG 53 CO 0.00 0.43 1.53 -1.49 -0.68 0.00 0.00 175.30 175.09 2roh h TRP 54 N 3.53 0.66 -0.40 -0.53 6.55 -2.00 -2.72 115.95 121.04 2roh h TRP 54 Ca -0.48 -0.13 0.12 0.00 0.95 0.00 0.00 58.89 59.35 2roh h TRP 54 Cb 1.19 -0.17 -0.02 0.00 -0.86 0.00 0.00 29.16 29.31 2roh h TRP 54 CO 0.64 0.74 0.36 0.07 -1.05 0.00 0.00 178.44 179.21 2roh h ARG 55 N 0.39 0.00 -0.43 0.49 0.11 -1.94 0.16 114.38 113.15 2roh h ARG 55 Ca 0.09 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.07 2roh h ARG 55 Cb 0.50 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.57 2roh h ARG 55 CO 0.02 0.00 -0.13 0.22 0.10 0.00 0.00 179.97 180.19 2roh h ASP 56 N 0.00 0.85 0.85 0.08 1.82 -1.89 -2.00 116.42 116.13 2roh h ASP 56 Ca 0.19 -0.37 -0.10 0.00 -0.39 0.00 0.00 57.03 56.35 2roh h ASP 56 Cb 0.92 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.68 2roh h ASP 56 CO -0.00 1.03 -0.50 -0.37 -1.61 0.00 0.00 179.24 177.79 2roh h VAL 57 N 0.66 1.09 -0.10 2.25 -1.51 -1.03 -1.32 116.25 116.29 2roh h VAL 57 Ca 0.10 -1.88 -0.06 0.00 -1.23 0.00 0.00 66.70 63.63 2roh h VAL 57 Cb 0.67 2.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.92 2roh h VAL 57 CO 0.05 0.49 -0.18 0.50 -1.23 0.00 0.00 177.57 177.19 2roh h LYS 58 N 0.00 0.31 -0.10 5.19 3.11 -1.18 -0.91 116.57 123.00 2roh h LYS 58 Ca -0.00 -0.19 -0.19 0.00 -2.81 0.00 0.00 60.65 57.46 2roh h LYS 58 Cb 1.05 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.30 2roh h LYS 58 CO 0.06 0.78 -0.72 0.35 -2.81 0.00 0.00 179.45 177.11 2roh h PHE 59 N -0.13 0.63 -0.04 1.91 3.57 -1.38 -3.07 116.94 118.44 2roh h PHE 59 Ca 0.01 -0.27 -0.12 0.00 3.53 0.00 0.00 57.97 61.11 2roh h PHE 59 Cb 0.76 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2roh h PHE 59 CO 0.10 1.03 -0.53 -0.09 -2.23 0.00 0.00 178.31 176.60 2roh h ARG 60 N 0.32 0.11 0.13 1.11 9.65 -1.28 -3.33 114.38 121.09 2roh h ARG 60 Ca -0.03 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 2roh h ARG 60 Cb 1.30 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 2roh h ARG 60 CO 0.13 0.61 -0.06 0.00 2.80 0.00 0.00 179.97 183.45 2roh h ALA 61 N 1.37 -0.79 -0.36 2.80 0.00 -1.10 -3.47 119.26 117.72 2roh h ALA 61 Ca -0.00 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.05 2roh h ALA 61 Cb 0.97 0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.64 2roh h ALA 61 CO 0.07 -0.78 -0.08 -0.06 0.00 0.00 0.00 179.25 178.41 2roh s PHE 62 N -2.88 -0.66 -0.03 0.00 0.08 -1.17 -5.01 117.98 108.32 2roh s PHE 62 Ca -0.03 0.34 0.29 0.00 0.12 0.00 0.00 56.93 57.65 2roh s PHE 62 Cb 0.00 0.11 1.44 0.00 -0.57 0.00 0.00 43.02 44.01 2roh s PHE 62 CO 0.08 -0.40 1.87 1.49 -0.10 0.00 0.00 175.22 178.16 2roh h GLU 63 N 7.08 0.00 -0.04 0.44 4.81 -1.74 -1.83 114.58 123.29 2roh h GLU 63 Ca -0.07 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 2roh h GLU 63 Cb 1.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2roh h GLU 63 CO -0.06 0.00 -0.30 -2.95 -0.73 0.00 0.00 179.01 174.98 2roh h ASN 64 N 0.00 0.08 -3.31 1.04 -1.07 -1.94 -3.41 115.58 106.97 2roh h ASN 64 Ca 0.00 -0.02 -0.63 0.00 0.07 0.00 0.00 56.30 55.71 2roh h ASN 64 Cb 0.14 -0.02 -0.20 0.00 -2.07 0.00 0.00 38.32 36.16 2roh h ASN 64 CO 0.00 0.38 -0.65 0.54 0.07 0.00 0.00 177.43 177.77 2roh s VAL 65 N -4.37 4.05 -0.12 6.14 0.11 -0.69 -4.98 120.40 120.54 2roh s VAL 65 Ca -0.04 -0.30 0.15 0.00 -2.93 0.00 0.00 61.98 58.86 2roh s VAL 65 Cb 0.15 -2.78 0.33 0.00 -1.53 0.00 0.00 36.38 32.55 2roh s VAL 65 CO 0.73 0.49 1.16 1.41 -3.33 0.00 0.00 175.10 175.57 2roh n HIS 66 N 3.46 0.00 0.21 1.54 8.25 -1.26 -4.74 115.22 122.68 2roh n HIS 66 Ca -0.17 -0.98 0.09 0.00 -0.26 0.00 0.00 57.72 56.40 2roh n HIS 66 Cb 0.52 -0.18 0.34 0.00 1.12 0.00 0.00 29.99 31.80 2roh n HIS 66 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2roh h HIS 67 N 0.60 0.00 -3.60 4.41 3.86 -1.96 -3.44 115.15 115.02 2roh h HIS 67 Ca -0.04 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.49 2roh h HIS 67 Cb 1.22 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.50 2roh h HIS 67 CO 0.36 0.23 -0.82 1.03 0.86 0.00 0.00 177.93 179.59 2roh s ARG 68 N -3.43 1.62 0.11 2.45 1.81 -1.26 -5.09 118.95 115.16 2roh s ARG 68 Ca 0.02 -1.33 -0.05 0.00 -1.72 0.00 0.00 55.73 52.66 2roh s ARG 68 Cb 0.09 -1.98 -0.05 0.00 -0.45 0.00 0.00 34.95 32.55 2roh s ARG 68 CO 0.66 0.45 0.35 0.99 -0.68 0.00 0.00 175.30 177.07 2roh s THR 69 N -1.29 5.19 0.27 0.02 2.01 -1.26 -4.99 115.64 115.59 2roh s THR 69 Ca 0.18 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.24 2roh s THR 69 Cb -0.10 -3.62 0.26 0.00 0.01 0.00 0.00 72.50 69.06 2roh s THR 69 CO 0.09 0.11 1.71 0.10 -0.69 0.00 0.00 174.62 175.94 2roh h TYR 70 N 3.06 0.56 -0.83 4.92 -0.00 -1.96 0.17 116.97 122.90 2roh h TYR 70 Ca -0.47 0.04 -0.02 0.00 0.00 0.00 0.00 58.73 58.28 2roh h TYR 70 Cb 1.17 -0.12 -0.04 0.00 0.00 0.00 0.00 36.73 37.74 2roh h TYR 70 CO 0.63 -0.01 0.43 -0.24 -0.00 0.00 0.00 178.16 178.96 2roh h VAL 71 N 0.41 1.25 -0.41 -0.90 3.04 -1.94 -2.24 116.25 115.46 2roh h VAL 71 Ca 0.50 -0.67 -0.05 0.00 -1.01 0.00 0.00 66.70 65.47 2roh h VAL 71 Cb 0.87 0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 30.28 2roh h VAL 71 CO -0.49 0.29 0.03 -0.78 -1.01 0.00 0.00 177.57 175.61 2roh h ASP 72 N 1.18 0.59 0.46 3.17 1.82 -1.09 -1.19 116.42 121.36 2roh h ASP 72 Ca 0.29 -0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.79 2roh h ASP 72 Cb 0.07 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 39.93 2roh h ASP 72 CO -0.04 0.65 -0.22 -0.07 -1.61 0.00 0.00 179.24 177.94 2roh h LEU 73 N 0.61 -0.52 -0.88 2.28 3.38 -0.73 0.26 115.31 119.71 2roh h LEU 73 Ca 0.13 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2roh h LEU 73 Cb 0.34 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 2roh h LEU 73 CO 0.01 -0.20 0.56 0.50 0.09 0.00 0.00 178.44 179.41 2roh h LYS 74 N -0.87 1.04 -0.40 1.13 3.11 -1.40 -0.79 116.57 118.40 2roh h LYS 74 Ca -0.06 -0.06 -0.13 0.00 -2.81 0.00 0.00 60.65 57.58 2roh h LYS 74 Cb 0.57 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 2roh h LYS 74 CO 0.10 0.69 -0.28 0.22 -2.81 0.00 0.00 179.45 177.37 2roh h ASP 75 N 1.07 0.88 -0.73 4.20 3.58 -1.18 -2.21 116.42 122.04 2roh h ASP 75 Ca 0.36 -0.35 -0.06 0.00 0.42 0.00 0.00 57.03 57.40 2roh h ASP 75 Cb 0.06 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.83 2roh h ASP 75 CO -0.14 1.10 0.24 0.50 -2.88 0.00 0.00 179.24 178.06 2roh h LYS 76 N 0.72 1.12 0.03 0.28 1.63 0.23 -1.74 116.57 118.85 2roh h LYS 76 Ca 0.08 -0.24 -0.00 0.00 -0.85 0.00 0.00 60.65 59.65 2roh h LYS 76 Cb 0.83 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 2roh h LYS 76 CO 0.07 0.95 -0.02 2.35 -3.45 0.00 0.00 179.45 179.36 2roh h TRP 77 N 1.07 -0.04 -0.88 1.91 7.01 -1.07 -0.33 115.95 123.62 2roh h TRP 77 Ca 0.24 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.33 2roh h TRP 77 Cb 0.29 0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 27.29 2roh h TRP 77 CO 0.02 0.28 0.53 -0.22 -2.79 0.00 0.00 178.44 176.27 2roh h LYS 78 N -0.36 0.87 0.08 2.65 1.63 -1.33 0.18 116.57 120.30 2roh h LYS 78 Ca -0.00 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2roh h LYS 78 Cb 0.34 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2roh h LYS 78 CO 0.01 0.58 -0.04 1.15 -3.45 0.00 0.00 179.45 177.70 2roh h THR 79 N 0.90 1.16 -0.22 1.00 2.02 -1.24 -2.22 112.91 114.30 2roh h THR 79 Ca 0.42 -0.93 0.02 0.00 0.77 0.00 0.00 66.41 66.69 2roh h THR 79 Cb 0.33 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 2roh h THR 79 CO -0.23 0.23 0.15 0.17 0.37 0.00 0.00 175.52 176.21 2roh h LEU 80 N -0.54 0.18 -0.13 2.58 8.10 -0.69 -1.66 115.31 123.15 2roh h LEU 80 Ca -0.01 -0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.93 2roh h LEU 80 Cb 0.45 -0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.63 2roh h LEU 80 CO 0.02 0.13 -0.11 0.58 -4.11 0.00 0.00 178.44 174.94 2roh h VAL 81 N 0.21 1.35 -0.81 0.15 2.07 -0.56 -0.88 116.25 117.77 2roh h VAL 81 Ca 0.09 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 2roh h VAL 81 Cb 0.11 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 2roh h VAL 81 CO -0.02 0.36 0.43 -0.74 0.02 0.00 0.00 177.57 177.62 2roh h HIS 82 N -0.08 1.13 -0.00 1.57 2.76 -0.85 -0.12 115.15 119.55 2roh h HIS 82 Ca 0.02 -0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.02 2roh h HIS 82 Cb 0.62 -0.36 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 2roh h HIS 82 CO 0.08 0.79 -0.66 1.15 -1.30 0.00 0.00 177.93 177.99 2roh h THR 83 N 1.14 1.47 -0.00 6.26 2.02 -1.30 -0.39 112.91 122.12 2roh h THR 83 Ca 0.29 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 65.20 2roh h THR 83 Cb 0.05 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 2roh h THR 83 CO -0.04 0.65 -0.19 0.00 0.37 0.00 0.00 175.52 176.31 2roh n ALA 84 N -2.42 2.86 -0.09 6.16 0.00 -0.34 -3.83 120.51 122.85 2roh n ALA 84 Ca -0.01 -0.24 -0.11 0.00 0.00 0.00 0.00 53.44 53.08 2roh n ALA 84 Cb 0.65 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.68 2roh n ALA 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2roh n SER 85 N -1.27 1.70 -3.50 0.00 2.88 -0.11 -5.01 113.62 108.31 2roh n SER 85 Ca 0.10 -0.05 -0.25 0.00 -1.33 0.00 0.00 58.87 57.34 2roh n SER 85 Cb 0.31 0.32 0.23 0.00 -0.75 0.00 0.00 64.21 64.32 2roh n SER 85 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2roh n ILE 86 N -2.83 0.00 -0.81 2.46 -5.35 -0.18 -4.91 119.36 107.74 2roh n ILE 86 Ca -0.31 -0.06 -0.33 0.00 -0.27 0.00 0.00 62.75 61.78 2roh n ILE 86 Cb 0.96 -0.76 0.11 0.00 -1.74 0.00 0.00 39.64 38.21 2roh n ILE 86 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2roh n ALA 87 N -5.14 -2.92 0.20 -1.28 0.00 -1.26 -4.61 120.51 105.50 2roh n ALA 87 Ca 0.09 -0.63 0.06 0.00 0.00 0.00 0.00 53.44 52.96 2roh n ALA 87 Cb 0.49 -1.73 0.41 0.00 0.00 0.00 0.00 19.45 18.62 2roh n ALA 87 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2roh h PRO 88 N -1.52 0.00 0.00 0.00 0.13 -1.95 0.48 132.00 129.15 2roh h PRO 88 Ca -0.44 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 2roh h PRO 88 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2roh h PRO 88 CO 0.33 0.34 -0.39 -0.56 -0.23 0.00 0.00 178.00 177.49 2roh h GLN 89 N 0.00 0.00 0.05 0.86 3.07 -1.99 -3.28 115.11 113.82 2roh h GLN 89 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.39 2roh h GLN 89 Cb 0.75 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.26 2roh h GLN 89 CO 0.04 0.25 -2.06 1.04 0.09 0.00 0.00 178.83 178.20 2roh n GLN 90 N -3.12 0.69 0.29 0.06 1.13 -1.06 -4.10 117.38 111.28 2roh n GLN 90 Ca 0.02 0.21 0.16 0.00 -1.94 0.00 0.00 57.00 55.45 2roh n GLN 90 Cb 0.65 -1.67 0.93 0.00 0.11 0.00 0.00 30.24 30.25 2roh n GLN 90 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2roh h ARG 91 N 0.03 0.00 -5.66 -1.09 -0.00 -1.01 -3.42 114.38 103.23 2roh h ARG 91 Ca -0.43 0.00 -0.57 0.00 -0.00 0.00 0.00 59.98 58.98 2roh h ARG 91 Cb 2.04 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.98 2roh h ARG 91 CO 0.05 0.00 1.56 0.54 -0.00 0.00 0.00 179.97 182.12 2roh n ARG 92 N -3.79 0.88 0.00 0.08 1.74 -1.24 -4.67 116.66 109.66 2roh n ARG 92 Ca -0.02 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2roh n ARG 92 Cb 0.11 -2.60 0.00 0.00 -1.02 0.00 0.00 32.46 28.96 2roh n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2roh n GLY 93 N 6.34 0.17 3.49 -0.13 0.00 -1.26 -5.09 105.19 108.71 2roh n GLY 93 Ca 0.45 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.23 2roh n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2roh s ALA 94 N -2.00 2.80 -1.07 4.61 0.00 -1.26 -5.05 121.76 119.78 2roh s ALA 94 Ca 0.00 -1.88 -0.23 0.00 0.00 0.00 0.00 51.96 49.85 2roh s ALA 94 Cb 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 23.12 22.77 2roh s ALA 94 CO 0.00 0.26 1.94 -1.25 0.00 0.00 0.00 175.76 176.71 2roh s PRO 95 N -3.53 2.51 0.21 0.00 0.04 -1.26 -4.92 135.00 128.05 2roh s PRO 95 Ca 0.30 -0.81 0.11 0.00 0.04 0.00 0.00 61.00 60.64 2roh s PRO 95 Cb -0.05 -5.17 -0.05 0.00 0.04 0.00 0.00 34.50 29.28 2roh s PRO 95 CO 0.15 -3.75 -0.22 0.14 0.04 0.00 0.00 177.00 173.36 2roh s VAL 96 N 10.68 2.27 0.38 -0.36 -7.23 -1.26 -5.03 120.40 119.86 2roh s VAL 96 Ca 0.69 -2.11 -0.26 0.00 -1.81 0.00 0.00 61.98 58.49 2roh s VAL 96 Cb -0.03 -2.11 -0.09 0.00 0.56 0.00 0.00 36.38 34.71 2roh s VAL 96 CO 0.08 -0.23 1.20 -2.16 -0.31 0.00 0.00 175.10 173.67 2roh s PRO 97 N -2.92 4.13 0.42 4.82 0.04 -1.26 -4.93 135.00 135.30 2roh s PRO 97 Ca 0.22 1.93 0.11 0.00 0.04 0.00 0.00 61.00 63.29 2roh s PRO 97 Cb -0.07 -2.78 0.90 0.00 0.04 0.00 0.00 34.50 32.59 2roh s PRO 97 CO 0.10 -0.28 1.99 -0.56 0.04 0.00 0.00 177.00 178.29 2roh h GLN 98 N 2.84 0.22 -0.72 4.56 3.07 -2.01 -2.23 115.11 120.85 2roh h GLN 98 Ca -0.49 -0.04 0.12 0.00 0.09 0.00 0.00 58.65 58.33 2roh h GLN 98 Cb 1.23 -0.04 -0.05 0.00 0.08 0.00 0.00 27.48 28.71 2roh h GLN 98 CO 0.63 0.29 0.48 1.05 0.09 0.00 0.00 178.83 181.37 2roh h GLU 99 N 0.22 0.50 -0.75 0.06 4.11 -1.99 -0.61 114.58 116.13 2roh h GLU 99 Ca 0.05 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.42 2roh h GLU 99 Cb 0.23 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2roh h GLU 99 CO 0.01 0.33 0.35 -0.07 0.07 0.00 0.00 179.01 179.70 2roh h LEU 100 N 0.52 0.99 -0.61 3.06 4.07 -1.79 -0.31 115.31 121.23 2roh h LEU 100 Ca 0.34 -0.14 -0.10 0.00 0.08 0.00 0.00 57.88 58.06 2roh h LEU 100 Cb 0.62 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 2roh h LEU 100 CO -0.12 0.85 -0.46 -0.07 -1.08 0.00 0.00 178.44 177.56 2roh h LEU 101 N 1.05 0.00 -0.15 1.67 -0.00 -1.26 -2.29 115.31 114.33 2roh h LEU 101 Ca 0.25 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.90 2roh h LEU 101 Cb 0.14 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.80 2roh h LEU 101 CO -0.03 0.46 -0.93 -0.78 -0.00 0.00 0.00 178.44 177.17 2roh h ASP 102 N 0.00 0.67 -0.09 -0.43 1.82 -0.66 -1.57 116.42 116.16 2roh h ASP 102 Ca -0.00 -0.52 -0.21 0.00 -0.39 0.00 0.00 57.03 55.91 2roh h ASP 102 Cb 1.10 -0.20 0.01 0.00 0.68 0.00 0.00 39.33 40.91 2roh h ASP 102 CO 0.06 1.31 -0.75 0.08 -1.61 0.00 0.00 179.24 178.33 2roh h ARG 103 N 0.32 0.67 -0.38 0.28 0.11 -1.04 -0.70 114.38 113.63 2roh h ARG 103 Ca -0.08 -0.60 -0.15 0.00 0.10 0.00 0.00 59.98 59.25 2roh h ARG 103 Cb 1.56 0.14 -0.01 0.00 1.11 0.00 0.00 29.97 32.77 2roh h ARG 103 CO 0.17 1.21 -0.36 -0.39 0.10 0.00 0.00 179.97 180.70 2roh h VAL 104 N 0.34 1.27 0.06 0.08 -1.51 -1.48 -1.69 116.25 113.32 2roh h VAL 104 Ca -0.07 -1.53 -0.00 0.00 -1.23 0.00 0.00 66.70 63.87 2roh h VAL 104 Cb 1.39 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 2roh h VAL 104 CO 0.15 0.51 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.90 2roh h LEU 105 N 0.74 -0.07 -0.64 4.19 3.38 -1.34 -1.50 115.31 120.07 2roh h LEU 105 Ca 0.07 -0.51 0.07 0.00 0.09 0.00 0.00 57.88 57.60 2roh h LEU 105 Cb 0.93 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 2roh h LEU 105 CO 0.09 0.51 0.32 0.00 0.09 0.00 0.00 178.44 179.45 2roh h ALA 106 N 0.15 0.85 -0.45 1.53 0.00 -1.18 -1.89 119.26 118.27 2roh h ALA 106 Ca -0.01 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2roh h ALA 106 Cb 0.58 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2roh h ALA 106 CO 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 179.25 179.19 2roh h ALA 107 N 1.37 0.62 -0.18 0.00 0.00 -1.37 -0.97 119.26 118.72 2roh h ALA 107 Ca 0.30 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2roh h ALA 107 Cb 0.25 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2roh h ALA 107 CO -0.22 0.44 -0.14 0.37 0.00 0.00 0.00 179.25 179.70 2roh h GLN 108 N 0.67 -0.14 -0.23 0.00 -0.00 -0.63 -1.46 115.11 113.30 2roh h GLN 108 Ca 0.12 0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.67 2roh h GLN 108 Cb 0.55 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.05 2roh h GLN 108 CO 0.03 -0.10 -0.34 0.00 0.00 0.00 0.00 178.83 178.43 2roh h ALA 109 N 0.96 0.99 -0.78 3.38 0.00 -1.33 -0.36 119.26 122.12 2roh h ALA 109 Ca 0.11 -0.40 0.07 0.00 0.00 0.00 0.00 54.91 54.69 2roh h ALA 109 Cb 0.31 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2roh h ALA 109 CO -0.27 0.60 0.46 -0.92 0.00 0.00 0.00 179.25 179.13 2roh h TYR 110 N 0.42 0.85 0.00 0.00 3.20 -0.38 -1.72 116.97 119.34 2roh h TYR 110 Ca 0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2roh h TYR 110 Cb 0.79 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2roh h TYR 110 CO 0.03 0.41 -0.72 -1.49 -1.64 0.00 0.00 178.16 174.74 2roh h TRP 111 N 0.84 0.00 -2.11 -3.82 -0.00 -1.18 -3.47 115.95 106.21 2roh h TRP 111 Ca 0.35 0.00 -0.21 0.00 -0.00 0.00 0.00 58.89 59.03 2roh h TRP 111 Cb 0.21 0.00 0.13 0.00 -0.00 0.00 0.00 29.16 29.49 2roh h TRP 111 CO -0.05 0.00 -0.10 0.45 -0.00 0.00 0.00 178.44 178.73 2roh n SER 112 N -2.64 -3.28 -3.45 -3.49 2.88 -0.15 -5.03 113.62 98.46 2roh n SER 112 Ca 0.01 -0.51 -0.20 0.00 -1.33 0.00 0.00 58.87 56.84 2roh n SER 112 Cb 0.52 -0.58 -0.11 0.00 -0.75 0.00 0.00 64.21 63.29 2roh n SER 112 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2roh s VAL 113 N -1.64 -0.31 -0.85 2.46 1.01 -1.26 -4.93 120.40 114.87 2roh s VAL 113 Ca 0.39 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 2roh s VAL 113 Cb -0.07 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 2roh s VAL 113 CO 0.33 -0.48 0.75 -0.67 0.00 0.00 0.00 175.10 175.02 2roh n ASP 114 N 5.30 -5.82 -4.33 3.32 2.03 -1.26 -5.05 116.55 110.75 2roh n ASP 114 Ca -0.04 -0.57 -0.28 0.00 0.52 0.00 0.00 54.79 54.43 2roh n ASP 114 Cb 0.46 -4.35 -0.08 0.00 -0.72 0.00 0.00 41.12 36.43 2roh n ASP 114 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2roh s SER 115 N -3.31 3.20 0.22 1.67 0.01 -1.26 -5.10 113.70 109.13 2roh s SER 115 Ca 0.37 -1.66 -0.32 0.00 1.31 0.00 0.00 55.95 55.65 2roh s SER 115 Cb -0.05 0.48 -0.12 0.00 0.21 0.00 0.00 66.02 66.54 2roh s SER 115 CO 0.60 -0.89 1.67 -0.24 0.41 0.00 0.00 173.24 174.79 2roh n SER 116 N -1.27 3.79 0.00 2.44 2.88 -1.26 -4.79 113.62 115.40 2roh n SER 116 Ca -0.10 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 2roh n SER 116 Cb 0.66 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 2roh n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2roh n GLY 117 N 3.53 2.47 0.96 0.46 0.00 -1.26 -4.92 105.19 106.43 2roh n GLY 117 Ca 0.15 -0.43 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 2roh n GLY 117 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2roh n ARG 118 N 0.00 0.00 -1.97 1.61 0.63 -1.26 -5.10 116.66 110.57 2roh n ARG 118 Ca 0.00 -1.05 -0.03 0.00 -0.92 0.00 0.00 57.85 55.85 2roh n ARG 118 Cb 0.00 0.14 -0.00 0.00 0.45 0.00 0.00 32.46 33.05 2roh n ARG 118 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2roh n ILE 119 N 0.13 0.00 -4.20 5.15 -5.35 -1.26 -4.94 119.36 108.89 2roh n ILE 119 Ca -0.10 -0.36 -0.35 0.00 -0.27 0.00 0.00 62.75 61.67 2roh n ILE 119 Cb 0.77 0.25 -0.08 0.00 -1.74 0.00 0.00 39.64 38.85 2roh n ILE 119 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2roh n VAL 120 N -0.13 -0.28 0.24 7.28 0.24 -1.26 -4.75 118.33 119.66 2roh n VAL 120 Ca -0.01 -0.14 0.10 0.00 -2.04 0.00 0.00 64.34 62.25 2roh n VAL 120 Cb 0.14 -0.59 0.60 0.00 -1.47 0.00 0.00 33.84 32.52 2roh n VAL 120 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roh h THR 121 N -1.01 0.73 0.00 3.34 1.03 -2.01 -3.53 112.91 111.45 2roh h THR 121 Ca -0.56 -0.77 0.00 0.00 -0.01 0.00 0.00 66.41 65.07 2roh h THR 121 Cb 1.25 1.48 0.00 0.00 -1.07 0.00 0.00 68.15 69.80 2roh h THR 121 CO 0.75 0.18 0.00 0.00 -0.01 0.00 0.00 175.52 176.45