#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roh n SER 2 N 0.00 -2.77 -4.55 1.61 2.88 -1.26 -5.10 113.62 104.43 2roh n SER 2 Ca 0.00 -3.16 -0.35 0.00 -1.33 0.00 0.00 58.87 54.03 2roh n SER 2 Cb 0.00 1.59 -0.04 0.00 -0.75 0.00 0.00 64.21 65.02 2roh n SER 2 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2roh s PRO 3 N 0.59 2.61 -1.30 -1.46 0.04 -1.26 -4.87 135.00 129.35 2roh s PRO 3 Ca 0.32 0.38 -0.08 0.00 0.04 0.00 0.00 61.00 61.66 2roh s PRO 3 Cb 0.17 -4.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.11 2roh s PRO 3 CO -0.19 -2.90 2.87 0.34 0.04 0.00 0.00 177.00 177.15 2roh n PHE 4 N 13.07 2.16 -4.27 0.56 7.35 -1.26 -4.90 117.46 130.16 2roh n PHE 4 Ca 0.25 -2.78 -0.34 0.00 -0.76 0.00 0.00 57.45 53.82 2roh n PHE 4 Cb 0.51 -2.15 -0.11 0.00 0.35 0.00 0.00 39.48 38.08 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 0.88 3.21 0.21 3.13 0.00 -1.26 -5.11 121.76 122.81 2roh s ALA 5 Ca 0.65 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.90 2roh s ALA 5 Cb 0.21 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 2roh s ALA 5 CO -0.07 0.32 -0.00 -0.51 0.00 0.00 0.00 175.76 175.49 2roh s ASP 6 N -0.02 4.66 -0.79 0.00 1.01 -1.26 -5.05 116.67 115.23 2roh s ASP 6 Ca 0.03 -0.49 -0.25 0.00 0.71 0.00 0.00 52.55 52.54 2roh s ASP 6 Cb -0.13 -0.94 -0.04 0.00 1.01 0.00 0.00 42.92 42.83 2roh s ASP 6 CO 0.02 0.06 1.91 -2.16 0.21 0.00 0.00 175.17 175.21 2roh s PRO 7 N -3.21 2.58 -0.61 8.23 0.04 -1.26 -4.93 135.00 135.84 2roh s PRO 7 Ca 0.29 0.06 -0.27 0.00 0.04 0.00 0.00 61.00 61.12 2roh s PRO 7 Cb -0.08 -4.80 0.01 0.00 0.04 0.00 0.00 34.50 29.67 2roh s PRO 7 CO 0.19 -3.12 1.44 1.21 0.04 0.00 0.00 177.00 176.75 2roh s ASN 8 N 8.06 6.03 -0.29 6.66 2.47 -1.26 -4.91 114.94 131.69 2roh s ASN 8 Ca 0.69 0.10 -0.16 0.00 0.42 0.00 0.00 52.86 53.91 2roh s ASN 8 Cb -0.09 -2.55 0.16 0.00 -1.45 0.00 0.00 41.25 37.32 2roh s ASN 8 CO 0.08 -1.83 1.00 -0.55 -3.72 0.00 0.00 177.10 172.07 2roh s SER 9 N 4.71 -0.52 -0.19 -4.21 0.15 -1.26 -5.14 113.70 107.24 2roh s SER 9 Ca 0.50 0.77 -0.05 0.00 0.70 0.00 0.00 55.95 57.87 2roh s SER 9 Cb -0.10 1.41 0.07 0.00 -1.71 0.00 0.00 66.02 65.69 2roh s SER 9 CO 0.22 -0.11 0.11 -0.22 1.20 0.00 0.00 173.24 174.43 2roh s LEU 10 N 1.86 0.31 -0.39 3.45 0.20 -1.26 -5.10 118.68 117.76 2roh s LEU 10 Ca -0.06 -0.66 -0.00 0.00 0.69 0.00 0.00 54.13 54.10 2roh s LEU 10 Cb -0.05 -0.18 0.11 0.00 -0.43 0.00 0.00 46.19 45.64 2roh s LEU 10 CO -0.16 -0.36 0.15 0.00 -0.29 0.00 0.00 176.35 175.69 2roh s ALA 11 N 2.16 3.07 -0.50 5.97 0.00 -1.26 -5.02 121.76 126.18 2roh s ALA 11 Ca 0.03 -2.56 0.03 0.00 0.00 0.00 0.00 51.96 49.47 2roh s ALA 11 Cb -0.16 -2.26 0.15 0.00 0.00 0.00 0.00 23.12 20.86 2roh s ALA 11 CO -0.13 -1.77 0.32 -0.51 0.00 0.00 0.00 175.76 173.67 2roh s LEU 12 N 1.02 2.93 -0.27 0.00 1.43 -1.26 -5.06 118.68 117.48 2roh s LEU 12 Ca 0.09 -3.01 -0.01 0.00 -1.03 0.00 0.00 54.13 50.18 2roh s LEU 12 Cb -0.21 -1.05 0.08 0.00 0.03 0.00 0.00 46.19 45.04 2roh s LEU 12 CO -0.06 -0.20 0.05 0.00 0.23 0.00 0.00 176.35 176.37 2roh s ALA 13 N -0.14 1.61 -0.11 4.21 0.00 -1.26 -5.12 121.76 120.95 2roh s ALA 13 Ca 0.23 -1.44 -0.06 0.00 0.00 0.00 0.00 51.96 50.69 2roh s ALA 13 Cb -0.14 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 2roh s ALA 13 CO -0.08 -1.45 0.10 -0.80 0.00 0.00 0.00 175.76 173.53 2roh s ASN 14 N 1.57 6.04 0.18 0.00 -0.87 -1.26 -5.11 114.94 115.49 2roh s ASN 14 Ca 0.04 0.36 0.08 0.00 -1.57 0.00 0.00 52.86 51.77 2roh s ASN 14 Cb -0.18 -1.90 -0.04 0.00 -0.02 0.00 0.00 41.25 39.11 2roh s ASN 14 CO -0.16 0.39 -0.04 0.68 -2.57 0.00 0.00 177.10 175.40 2roh s VAL 15 N -0.91 3.48 0.72 1.60 -7.23 -1.26 -5.12 120.40 111.67 2roh s VAL 15 Ca 0.14 -1.55 -0.13 0.00 -1.81 0.00 0.00 61.98 58.63 2roh s VAL 15 Cb -0.12 -2.74 0.03 0.00 0.56 0.00 0.00 36.38 34.11 2roh s VAL 15 CO 0.03 -0.12 1.10 -2.16 -0.31 0.00 0.00 175.10 173.64 2roh s PRO 16 N -2.93 2.50 -0.26 4.82 0.04 -1.26 -5.07 135.00 132.84 2roh s PRO 16 Ca 0.27 1.28 -0.26 0.00 0.04 0.00 0.00 61.00 62.33 2roh s PRO 16 Cb -0.09 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.63 2roh s PRO 16 CO 0.17 -1.47 0.92 -0.48 0.04 0.00 0.00 177.00 176.18 2roh s LEU 17 N -5.43 -0.55 -0.09 -3.56 2.34 -1.26 -5.16 118.68 104.97 2roh s LEU 17 Ca 0.64 1.02 0.00 0.00 0.06 0.00 0.00 54.13 55.85 2roh s LEU 17 Cb -0.19 2.09 -0.03 0.00 -0.56 0.00 0.00 46.19 47.51 2roh s LEU 17 CO 0.49 -0.21 -0.09 -0.44 -1.06 0.00 0.00 176.35 175.04 2roh s SER 18 N 0.14 4.42 -0.27 1.48 0.01 -1.26 -5.10 113.70 113.12 2roh s SER 18 Ca 0.01 -0.14 -0.16 0.00 1.31 0.00 0.00 55.95 56.97 2roh s SER 18 Cb -0.05 -1.32 0.08 0.00 0.21 0.00 0.00 66.02 64.94 2roh s SER 18 CO -0.03 0.28 0.66 -0.60 0.41 0.00 0.00 173.24 173.96 2roh s ARG 19 N -0.33 0.69 -0.30 12.44 3.52 -1.26 -5.14 118.95 128.57 2roh s ARG 19 Ca 0.04 1.15 -0.09 0.00 -0.13 0.00 0.00 55.73 56.70 2roh s ARG 19 Cb -0.13 0.15 0.18 0.00 -1.56 0.00 0.00 34.95 33.59 2roh s ARG 19 CO 0.02 -0.14 0.89 0.45 -0.81 0.00 0.00 175.30 175.71 2roh s SER 20 N 1.48 -0.78 -0.07 -2.12 0.15 -1.26 -5.17 113.70 105.93 2roh s SER 20 Ca -0.09 0.52 -0.12 0.00 0.70 0.00 0.00 55.95 56.96 2roh s SER 20 Cb -0.05 1.67 0.03 0.00 -1.71 0.00 0.00 66.02 65.95 2roh s SER 20 CO -0.17 -0.15 0.31 -1.59 1.20 0.00 0.00 173.24 172.84 2roh s LYS 21 N 2.90 0.50 0.27 5.44 -2.85 -1.26 -5.17 119.74 119.57 2roh s LYS 21 Ca 0.06 0.14 0.09 0.00 -1.00 0.00 0.00 55.97 55.26 2roh s LYS 21 Cb -0.12 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.84 2roh s LYS 21 CO -0.15 -0.11 0.01 1.03 0.10 0.00 0.00 175.35 176.24 2roh s ARG 22 N -0.53 2.31 0.95 1.78 3.00 -1.26 -5.13 118.95 120.07 2roh s ARG 22 Ca -0.06 -1.43 -0.12 0.00 0.00 0.00 0.00 55.73 54.12 2roh s ARG 22 Cb -0.04 -2.17 0.16 0.00 0.00 0.00 0.00 34.95 32.90 2roh s ARG 22 CO 0.02 0.34 1.09 -1.25 0.00 0.00 0.00 175.30 175.50 2roh s PRO 23 N -3.69 0.83 -0.72 3.54 0.04 -1.26 -4.96 135.00 128.77 2roh s PRO 23 Ca 0.32 0.67 -0.22 0.00 0.04 0.00 0.00 61.00 61.81 2roh s PRO 23 Cb -0.06 -1.77 0.08 0.00 0.04 0.00 0.00 34.50 32.79 2roh s PRO 23 CO 0.20 -2.50 1.03 0.34 0.04 0.00 0.00 177.00 176.12 2roh s ASP 24 N -3.44 6.26 -0.42 6.66 2.15 -1.26 -4.90 116.67 121.72 2roh s ASP 24 Ca 0.64 -1.16 -0.03 0.00 0.43 0.00 0.00 52.55 52.43 2roh s ASP 24 Cb -0.18 -2.43 0.10 0.00 -0.30 0.00 0.00 42.92 40.11 2roh s ASP 24 CO 0.57 -1.40 2.60 0.33 -0.17 0.00 0.00 175.17 177.10 2roh n PHE 25 N 7.65 1.60 -1.95 -5.34 7.35 -1.26 -4.57 117.46 120.93 2roh n PHE 25 Ca 0.03 -1.96 -0.32 0.00 -0.76 0.00 0.00 57.45 54.43 2roh n PHE 25 Cb 0.46 -1.29 0.03 0.00 0.35 0.00 0.00 39.48 39.04 2roh n PHE 25 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2roh n GLY 26 N 0.74 5.91 0.57 7.13 0.00 -1.26 -4.54 105.19 113.74 2roh n GLY 26 Ca 0.45 -2.55 0.06 0.00 0.00 0.00 0.00 46.02 43.98 2roh n GLY 26 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2roh n GLN 27 N -0.65 1.07 -1.99 1.61 7.27 -1.26 -4.89 117.38 118.53 2roh n GLN 27 Ca 0.50 -2.62 -0.41 0.00 0.07 0.00 0.00 57.00 54.54 2roh n GLN 27 Cb 0.59 -1.20 -0.00 0.00 2.41 0.00 0.00 30.24 32.04 2roh n GLN 27 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2roh n ARG 28 N -0.83 4.24 -1.21 3.69 0.63 -1.26 -4.73 116.66 117.19 2roh n ARG 28 Ca 0.14 -3.32 -0.26 0.00 -0.92 0.00 0.00 57.85 53.49 2roh n ARG 28 Cb 0.75 -2.73 0.03 0.00 0.45 0.00 0.00 32.46 30.96 2roh n ARG 28 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2roh n ARG 29 N 2.52 2.24 -2.56 -0.14 1.85 -1.26 -4.92 116.66 114.39 2roh n ARG 29 Ca 0.59 -2.34 -0.42 0.00 -1.00 0.00 0.00 57.85 54.68 2roh n ARG 29 Cb 0.27 -1.95 -0.03 0.00 -1.05 0.00 0.00 32.46 29.71 2roh n ARG 29 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2roh s ILE 30 N -3.21 3.90 -0.73 8.89 1.09 -1.26 -4.95 121.20 124.93 2roh s ILE 30 Ca 0.47 0.73 -0.01 0.00 -1.10 0.00 0.00 60.65 60.74 2roh s ILE 30 Cb 0.36 -4.77 0.18 0.00 -1.06 0.00 0.00 42.46 37.17 2roh s ILE 30 CO -0.08 -1.49 0.56 -0.13 -0.10 0.00 0.00 174.94 173.69 2roh s ARG 31 N 5.25 2.79 0.85 2.79 0.52 -1.26 -5.05 118.95 124.85 2roh s ARG 31 Ca 0.41 -2.88 -0.10 0.00 -0.52 0.00 0.00 55.73 52.63 2roh s ARG 31 Cb -0.08 -3.77 0.11 0.00 0.52 0.00 0.00 34.95 31.73 2roh s ARG 31 CO 0.22 -1.22 1.12 1.03 0.02 0.00 0.00 175.30 176.47 2roh s ARG 32 N -0.67 1.55 -0.07 3.54 0.52 -1.26 -4.93 118.95 117.63 2roh s ARG 32 Ca 0.21 1.32 -0.30 0.00 -0.52 0.00 0.00 55.73 56.44 2roh s ARG 32 Cb -0.14 -1.81 -0.05 0.00 0.52 0.00 0.00 34.95 33.47 2roh s ARG 32 CO -0.08 -2.18 1.50 -1.25 0.02 0.00 0.00 175.30 173.31 2roh s PRO 33 N -4.78 4.22 0.32 3.54 0.04 -1.26 -5.02 135.00 132.06 2roh s PRO 33 Ca 0.64 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.79 2roh s PRO 33 Cb -0.20 -3.83 -0.05 0.00 0.04 0.00 0.00 34.50 30.46 2roh s PRO 33 CO 0.57 -0.75 -0.03 -0.59 0.04 0.00 0.00 177.00 176.24 2roh s PHE 34 N 3.50 2.51 0.17 0.56 -0.12 -1.26 -5.15 117.98 118.19 2roh s PHE 34 Ca 0.67 -0.40 0.04 0.00 -0.05 0.00 0.00 56.93 57.18 2roh s PHE 34 Cb -0.30 -1.37 -0.04 0.00 -0.63 0.00 0.00 43.02 40.68 2roh s PHE 34 CO 0.25 0.54 0.20 0.99 -0.05 0.00 0.00 175.22 177.16 2roh s THR 35 N -2.51 4.82 0.33 -4.49 2.01 -1.26 -4.95 115.64 109.59 2roh s THR 35 Ca 0.33 -0.95 0.09 0.00 0.31 0.00 0.00 61.69 61.47 2roh s THR 35 Cb -0.01 -3.48 0.32 0.00 0.01 0.00 0.00 72.50 69.34 2roh s THR 35 CO 0.18 -0.12 1.80 1.62 -0.69 0.00 0.00 174.62 177.41 2roh h VAL 36 N 1.83 0.70 -0.03 3.82 3.04 -1.98 0.22 116.25 123.85 2roh h VAL 36 Ca -0.48 -0.23 -0.02 0.00 -1.01 0.00 0.00 66.70 64.96 2roh h VAL 36 Cb 1.20 -0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.45 2roh h VAL 36 CO 0.65 0.12 -0.05 0.00 -1.01 0.00 0.00 177.57 177.28 2roh h ALA 37 N 1.63 0.05 -0.67 3.17 0.00 -1.99 -1.42 119.26 120.04 2roh h ALA 37 Ca 0.55 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2roh h ALA 37 Cb 0.98 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2roh h ALA 37 CO -0.32 -0.14 0.43 1.49 0.00 0.00 0.00 179.25 180.71 2roh h GLU 38 N -0.41 0.84 -0.56 0.00 4.81 -1.69 -1.98 114.58 115.60 2roh h GLU 38 Ca 0.00 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 2roh h GLU 38 Cb 0.59 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2roh h GLU 38 CO 0.01 0.56 0.00 0.28 -0.73 0.00 0.00 179.01 179.13 2roh h VAL 39 N 0.86 1.26 0.08 0.32 2.07 -0.64 -1.79 116.25 118.42 2roh h VAL 39 Ca 0.25 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.67 2roh h VAL 39 Cb -0.05 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2roh h VAL 39 CO -0.08 0.40 -0.15 -0.33 0.02 0.00 0.00 177.57 177.44 2roh h GLU 40 N 0.87 -0.28 -0.22 1.57 5.08 -0.82 0.35 114.58 121.13 2roh h GLU 40 Ca 0.16 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2roh h GLU 40 Cb 0.54 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2roh h GLU 40 CO 0.03 -0.19 0.13 -0.07 -1.00 0.00 0.00 179.01 177.91 2roh h LEU 41 N -0.29 0.26 0.41 1.33 3.38 -1.34 0.60 115.31 119.67 2roh h LEU 41 Ca 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2roh h LEU 41 Cb 0.31 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2roh h LEU 41 CO -0.08 0.24 -0.38 0.25 0.09 0.00 0.00 178.44 178.56 2roh h LEU 42 N 0.26 -1.04 -0.49 1.67 5.85 -1.10 0.21 115.31 120.68 2roh h LEU 42 Ca 0.08 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.96 2roh h LEU 42 Cb 0.03 0.34 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 2roh h LEU 42 CO -0.01 -0.52 0.11 0.58 -0.34 0.00 0.00 178.44 178.26 2roh h VAL 43 N -0.79 0.74 0.00 1.05 2.07 -0.93 0.99 116.25 119.39 2roh h VAL 43 Ca -0.05 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2roh h VAL 43 Cb 0.67 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2roh h VAL 43 CO -0.03 0.05 -0.03 -0.08 0.02 0.00 0.00 177.57 177.49 2roh h GLU 44 N 0.25 0.00 -0.00 1.57 4.81 -0.67 0.35 114.58 120.88 2roh h GLU 44 Ca 0.24 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 2roh h GLU 44 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2roh h GLU 44 CO -0.31 0.03 -0.14 0.00 -0.73 0.00 0.00 179.01 177.87 2roh h ALA 45 N 1.97 0.02 -0.07 2.92 0.00 0.19 -2.34 119.26 121.95 2roh h ALA 45 Ca -0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 2roh h ALA 45 Cb 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2roh h ALA 45 CO 0.00 -0.01 -0.66 -0.24 0.00 0.00 0.00 179.25 178.34 2roh h VAL 46 N -0.60 1.40 0.00 0.00 3.04 -0.86 -3.06 116.25 116.16 2roh h VAL 46 Ca -0.02 -2.10 -0.11 0.00 -1.01 0.00 0.00 66.70 63.47 2roh h VAL 46 Cb 0.89 2.08 -0.02 0.00 -2.01 0.00 0.00 31.29 32.23 2roh h VAL 46 CO 0.03 0.62 -0.53 1.05 -1.01 0.00 0.00 177.57 177.73 2roh h GLU 47 N 0.19 0.00 0.00 4.17 -0.00 -0.40 0.26 114.58 118.81 2roh h GLU 47 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.25 2roh h GLU 47 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.94 2roh h GLU 47 CO 0.11 0.53 -0.47 1.25 -0.00 0.00 0.00 179.01 180.42 2roh h HIS 48 N 0.00 0.00 -0.02 2.06 2.76 -1.32 -2.95 115.15 115.68 2roh h HIS 48 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2roh h HIS 48 Cb 0.95 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.91 2roh h HIS 48 CO 0.00 0.47 -0.05 1.28 -1.30 0.00 0.00 177.93 178.33 2roh n LEU 49 N -3.89 2.21 0.00 0.26 4.77 -1.09 -5.03 117.00 114.23 2roh n LEU 49 Ca -0.01 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 2roh n LEU 49 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2roh n LEU 49 CO 0.40 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 2roh n GLY 50 N 0.93 1.32 2.84 -0.72 0.00 0.91 -1.42 105.19 109.06 2roh n GLY 50 Ca 0.09 0.52 -0.39 0.00 0.00 0.00 0.00 46.02 46.25 2roh n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2roh n THR 51 N 0.00 3.51 0.00 2.61 -1.04 -1.26 -4.72 114.28 113.38 2roh n THR 51 Ca 0.00 -4.24 0.00 0.00 -2.04 0.00 0.00 64.05 57.77 2roh n THR 51 Cb 0.00 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 2roh n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2roh n GLY 52 N -0.57 0.85 3.40 3.41 0.00 -0.51 -5.08 105.19 106.70 2roh n GLY 52 Ca 0.54 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 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 1.02 2.09 0.39 1.61 3.00 -1.26 -5.01 118.95 120.79 2roh s ARG 53 Ca 0.00 -0.95 0.14 0.00 0.00 0.00 0.00 55.73 54.92 2roh s ARG 53 Cb 0.00 -2.14 0.98 0.00 0.00 0.00 0.00 34.95 33.79 2roh s ARG 53 CO 0.00 0.55 1.86 0.11 0.00 0.00 0.00 175.30 177.82 2roh h TRP 54 N 4.97 0.66 0.00 -0.53 0.09 -1.98 0.33 115.95 119.48 2roh h TRP 54 Ca -0.46 0.02 -0.09 0.00 0.09 0.00 0.00 58.89 58.45 2roh h TRP 54 Cb 1.14 -0.20 -0.01 0.00 0.08 0.00 0.00 29.16 30.17 2roh h TRP 54 CO 0.48 0.20 -0.42 0.07 0.09 0.00 0.00 178.44 178.86 2roh h ARG 55 N 0.52 0.00 -0.29 0.12 0.11 -1.95 -2.18 114.38 110.71 2roh h ARG 55 Ca 0.46 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.38 2roh h ARG 55 Cb 0.99 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.07 2roh h ARG 55 CO -0.20 0.42 -0.45 -0.44 0.10 0.00 0.00 179.97 179.39 2roh h ASP 56 N 0.00 0.89 0.78 0.08 3.32 -0.77 -2.14 116.42 118.58 2roh h ASP 56 Ca -0.00 -0.52 -0.12 0.00 0.02 0.00 0.00 57.03 56.41 2roh h ASP 56 Cb 0.83 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2roh h ASP 56 CO 0.05 1.24 -0.56 -0.37 -1.72 0.00 0.00 179.24 177.88 2roh h VAL 57 N 0.58 1.24 -0.07 -1.35 -1.51 -1.31 -0.37 116.25 113.45 2roh h VAL 57 Ca 0.02 -2.05 -0.06 0.00 -1.23 0.00 0.00 66.70 63.39 2roh h VAL 57 Cb 1.06 2.15 0.00 0.00 -2.13 0.00 0.00 31.29 32.37 2roh h VAL 57 CO 0.10 0.55 -0.18 0.50 -1.23 0.00 0.00 177.57 177.32 2roh h LYS 58 N 0.00 0.24 -0.08 5.19 3.11 -1.33 -2.20 116.57 121.51 2roh h LYS 58 Ca -0.01 -0.17 -0.11 0.00 -2.81 0.00 0.00 60.65 57.56 2roh h LYS 58 Cb 1.11 0.03 0.01 0.00 -1.00 0.00 0.00 32.23 32.37 2roh h LYS 58 CO 0.07 0.77 -0.39 0.35 -2.81 0.00 0.00 179.45 177.45 2roh h PHE 59 N -0.25 0.54 -0.75 1.91 3.57 -1.41 -3.14 116.94 117.41 2roh h PHE 59 Ca -0.00 -0.24 0.05 0.00 3.53 0.00 0.00 57.97 61.31 2roh h PHE 59 Cb 0.78 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 2roh h PHE 59 CO 0.12 0.99 0.49 -0.09 -2.23 0.00 0.00 178.31 177.59 2roh h ARG 60 N -0.06 0.81 0.16 1.11 2.43 -1.16 -3.12 114.38 114.54 2roh h ARG 60 Ca -0.03 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2roh h ARG 60 Cb 1.03 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2roh h ARG 60 CO 0.08 0.53 -0.08 0.00 -1.51 0.00 0.00 179.97 179.00 2roh h ALA 61 N 1.58 -1.03 -0.34 2.80 0.00 -1.40 -3.46 119.26 117.41 2roh h ALA 61 Ca 0.31 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.33 2roh h ALA 61 Cb 0.18 0.08 -0.18 0.00 0.00 0.00 0.00 17.79 17.87 2roh h ALA 61 CO -0.10 -1.02 -0.11 -0.06 0.00 0.00 0.00 179.25 177.96 2roh s PHE 62 N -3.42 -0.62 0.64 0.00 0.08 -1.18 -5.01 117.98 108.47 2roh s PHE 62 Ca -0.03 0.25 0.41 0.00 0.12 0.00 0.00 56.93 57.67 2roh s PHE 62 Cb 0.00 0.11 2.26 0.00 -0.57 0.00 0.00 43.02 44.83 2roh s PHE 62 CO 0.09 -0.39 2.34 1.49 -0.10 0.00 0.00 175.22 178.65 2roh h GLU 63 N 6.60 0.00 0.00 0.44 4.22 -1.74 -0.69 114.58 123.42 2roh h GLU 63 Ca -0.06 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.36 2roh h GLU 63 Cb 1.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2roh h GLU 63 CO -0.06 0.00 -0.13 -0.97 -2.18 0.00 0.00 179.01 175.67 2roh h ASN 64 N 0.00 0.00 0.49 1.04 -1.24 -1.94 -3.18 115.58 110.75 2roh h ASN 64 Ca -0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 2roh h ASN 64 Cb 0.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.07 2roh h ASN 64 CO 0.00 0.13 -0.24 0.58 -1.29 0.00 0.00 177.43 176.62 2roh h VAL 65 N 0.00 0.00 -3.19 2.57 2.07 -1.52 -3.46 116.25 112.72 2roh h VAL 65 Ca -0.00 -0.12 -0.29 0.00 0.82 0.00 0.00 66.70 67.11 2roh h VAL 65 Cb 0.35 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 2roh h VAL 65 CO 0.02 0.00 -0.35 1.57 0.02 0.00 0.00 177.57 178.82 2roh n HIS 66 N -4.10 -1.13 -2.18 1.57 -0.00 -1.20 -4.83 115.22 103.36 2roh n HIS 66 Ca -0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.53 2roh n HIS 66 Cb 0.26 -3.00 0.06 0.00 -0.00 0.00 0.00 29.99 27.31 2roh n HIS 66 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2roh n HIS 67 N -3.25 1.70 -3.51 1.57 -0.00 -1.26 -5.05 115.22 105.42 2roh n HIS 67 Ca -0.17 -1.94 -0.15 0.00 -0.00 0.00 0.00 57.72 55.47 2roh n HIS 67 Cb 0.60 -0.28 -0.05 0.00 -0.00 0.00 0.00 29.99 30.26 2roh n HIS 67 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 2roh s ARG 68 N -3.29 1.01 0.08 1.57 6.06 -1.26 -5.17 118.95 117.94 2roh s ARG 68 Ca 0.42 0.07 -0.05 0.00 -2.50 0.00 0.00 55.73 53.67 2roh s ARG 68 Cb 0.38 0.47 -0.05 0.00 0.06 0.00 0.00 34.95 35.81 2roh s ARG 68 CO -0.02 -0.35 0.31 0.99 -2.50 0.00 0.00 175.30 173.73 2roh s THR 69 N -1.77 5.25 0.11 4.11 2.01 -1.26 -5.01 115.64 119.08 2roh s THR 69 Ca -0.06 0.00 -0.34 0.00 0.31 0.00 0.00 61.69 61.60 2roh s THR 69 Cb -0.00 -3.61 -0.14 0.00 0.01 0.00 0.00 72.50 68.76 2roh s THR 69 CO 0.03 0.17 1.56 1.88 -0.69 0.00 0.00 174.62 177.57 2roh h TYR 70 N 3.28 -1.59 -0.72 4.92 0.05 -1.98 0.06 116.97 121.00 2roh h TYR 70 Ca -0.47 0.05 0.15 0.00 0.05 0.00 0.00 58.73 58.51 2roh h TYR 70 Cb 1.17 0.69 -0.04 0.00 1.01 0.00 0.00 36.73 39.57 2roh h TYR 70 CO 0.64 -0.57 0.49 -0.24 -1.05 0.00 0.00 178.16 177.42 2roh h VAL 71 N -0.66 0.78 -0.66 -2.88 3.04 -1.96 -0.61 116.25 113.30 2roh h VAL 71 Ca 0.02 -0.11 -0.00 0.00 -1.01 0.00 0.00 66.70 65.59 2roh h VAL 71 Cb 0.72 0.42 -0.03 0.00 -2.01 0.00 0.00 31.29 30.39 2roh h VAL 71 CO -0.37 0.06 0.41 -0.78 -1.01 0.00 0.00 177.57 175.87 2roh h ASP 72 N 0.33 0.79 0.50 3.17 3.58 -1.41 0.30 116.42 123.67 2roh h ASP 72 Ca 0.35 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.72 2roh h ASP 72 Cb 0.90 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2roh h ASP 72 CO -0.09 0.61 -0.24 -0.07 -2.88 0.00 0.00 179.24 176.56 2roh h LEU 73 N 0.90 -0.57 -0.42 2.28 4.07 -0.30 0.26 115.31 121.53 2roh h LEU 73 Ca 0.24 -0.07 0.03 0.00 0.08 0.00 0.00 57.88 58.16 2roh h LEU 73 Cb -0.04 0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 2roh h LEU 73 CO -0.05 -0.23 0.20 0.50 -1.08 0.00 0.00 178.44 177.78 2roh h LYS 74 N -0.92 0.40 -0.58 1.13 3.11 -1.41 -1.72 116.57 116.58 2roh h LYS 74 Ca -0.07 -0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.68 2roh h LYS 74 Cb 0.60 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.72 2roh h LYS 74 CO 0.11 0.26 0.10 0.22 -2.81 0.00 0.00 179.45 177.34 2roh h ASP 75 N 0.41 0.88 -0.63 4.20 3.58 -0.41 -2.19 116.42 122.26 2roh h ASP 75 Ca 0.18 -0.19 0.01 0.00 0.42 0.00 0.00 57.03 57.45 2roh h ASP 75 Cb 0.09 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 2roh h ASP 75 CO -0.13 0.88 0.41 0.11 -2.88 0.00 0.00 179.24 177.63 2roh h LYS 76 N 0.88 0.81 -0.06 0.28 1.79 0.17 0.47 116.57 120.91 2roh h LYS 76 Ca 0.18 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 2roh h LYS 76 Cb 0.38 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2roh h LYS 76 CO 0.01 0.53 0.01 2.35 -1.08 0.00 0.00 179.45 181.27 2roh h TRP 77 N 0.83 0.11 -0.61 -1.35 7.01 -1.10 -0.36 115.95 120.48 2roh h TRP 77 Ca 0.24 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.25 2roh h TRP 77 Cb -0.07 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 26.92 2roh h TRP 77 CO -0.04 0.35 0.37 -0.22 -2.79 0.00 0.00 178.44 176.11 2roh h LYS 78 N -0.16 0.70 0.14 2.65 3.64 -1.20 0.50 116.57 122.85 2roh h LYS 78 Ca 0.02 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2roh h LYS 78 Cb 0.30 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2roh h LYS 78 CO 0.00 0.46 -0.07 1.15 -2.27 0.00 0.00 179.45 178.73 2roh h THR 79 N 0.72 0.97 -0.25 1.00 2.02 -0.84 -2.15 112.91 114.38 2roh h THR 79 Ca 0.25 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 66.97 2roh h THR 79 Cb 0.05 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2roh h THR 79 CO -0.11 0.12 0.17 0.17 0.37 0.00 0.00 175.52 176.23 2roh h LEU 80 N -0.43 0.17 -0.26 2.58 8.10 -0.86 -1.91 115.31 122.69 2roh h LEU 80 Ca -0.02 -0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.90 2roh h LEU 80 Cb 0.34 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.52 2roh h LEU 80 CO 0.03 0.11 -0.11 0.58 -4.11 0.00 0.00 178.44 174.94 2roh h VAL 81 N 0.19 1.30 -0.56 0.15 2.07 -0.67 -1.06 116.25 117.67 2roh h VAL 81 Ca 0.11 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 2roh h VAL 81 Cb 0.19 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2roh h VAL 81 CO -0.02 0.37 0.15 -0.74 0.02 0.00 0.00 177.57 177.36 2roh h HIS 82 N 0.26 0.88 0.00 1.57 -0.00 -0.71 0.29 115.15 117.44 2roh h HIS 82 Ca 0.06 -0.08 -0.12 0.00 -0.00 0.00 0.00 60.37 60.23 2roh h HIS 82 Cb 0.62 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.75 2roh h HIS 82 CO 0.06 0.73 -0.57 1.15 -0.00 0.00 0.00 177.93 179.30 2roh h THR 83 N 0.83 1.21 -0.02 6.26 2.02 -1.29 0.26 112.91 122.17 2roh h THR 83 Ca 0.18 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.27 2roh h THR 83 Cb 0.28 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2roh h THR 83 CO -0.00 0.56 -0.11 0.00 0.37 0.00 0.00 175.52 176.33 2roh n ALA 84 N -2.34 2.76 -0.01 6.16 0.00 -0.41 -4.15 120.51 122.52 2roh n ALA 84 Ca -0.00 -0.58 0.01 0.00 0.00 0.00 0.00 53.44 52.87 2roh n ALA 84 Cb 0.64 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 2roh n ALA 84 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2roh n SER 85 N 0.52 4.03 0.00 0.00 3.41 0.96 -4.84 113.62 117.70 2roh n SER 85 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2roh n SER 85 Cb 0.47 1.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.42 2roh n SER 85 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2roh n ILE 86 N -1.81 0.00 -3.45 -1.33 -5.35 0.88 -4.89 119.36 103.41 2roh n ILE 86 Ca -0.03 0.95 -0.11 0.00 -0.27 0.00 0.00 62.75 63.30 2roh n ILE 86 Cb 0.28 -1.45 -0.02 0.00 -1.74 0.00 0.00 39.64 36.71 2roh n ILE 86 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2roh s ALA 87 N -2.96 -1.65 0.15 -1.28 0.00 -1.26 -5.05 121.76 109.71 2roh s ALA 87 Ca 0.00 0.62 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 2roh s ALA 87 Cb 0.00 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 2roh s ALA 87 CO 0.00 -0.75 1.49 -1.00 0.00 0.00 0.00 175.76 175.50 2roh h PRO 88 N 2.00 0.90 0.00 0.00 0.13 -1.95 -2.55 132.00 130.53 2roh h PRO 88 Ca -0.30 -0.47 -0.06 0.00 -0.87 0.00 0.00 66.00 64.30 2roh h PRO 88 Cb 1.29 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2roh h PRO 88 CO 0.36 1.12 -0.28 -0.56 -0.23 0.00 0.00 178.00 178.41 2roh h GLN 89 N 0.74 0.00 0.00 0.86 3.07 -2.02 -3.33 115.11 114.42 2roh h GLN 89 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 2roh h GLN 89 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.53 2roh h GLN 89 CO 0.09 0.28 0.00 1.04 0.09 0.00 0.00 178.83 180.33 2roh n GLN 90 N -3.80 0.00 -4.40 0.06 1.13 -1.14 -4.88 117.38 104.35 2roh n GLN 90 Ca -0.01 0.26 -0.39 0.00 -1.94 0.00 0.00 57.00 54.91 2roh n GLN 90 Cb 0.37 -0.82 -0.08 0.00 0.11 0.00 0.00 30.24 29.82 2roh n GLN 90 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2roh n ARG 91 N -1.28 -0.76 -2.88 -1.09 1.85 -0.97 -4.84 116.66 106.69 2roh n ARG 91 Ca 0.00 0.13 -0.42 0.00 -1.00 0.00 0.00 57.85 56.56 2roh n ARG 91 Cb 0.00 -4.34 -0.04 0.00 -1.05 0.00 0.00 32.46 27.02 2roh n ARG 91 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2roh s ARG 92 N -7.05 4.05 0.00 2.89 1.81 -1.26 -4.96 118.95 114.43 2roh s ARG 92 Ca 0.66 0.78 0.00 0.00 -1.72 0.00 0.00 55.73 55.45 2roh s ARG 92 Cb -0.39 -3.70 0.00 0.00 -0.45 0.00 0.00 34.95 30.41 2roh s ARG 92 CO 0.99 -0.66 0.00 0.41 -0.68 0.00 0.00 175.30 175.35 2roh n GLY 93 N 4.00 1.41 3.42 -3.53 0.00 -1.26 -4.99 105.19 104.23 2roh n GLY 93 Ca 0.06 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 2roh n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2roh n ALA 94 N -0.86 -2.64 -2.04 4.61 0.00 -1.26 -4.81 120.51 113.51 2roh n ALA 94 Ca 0.00 -0.66 -0.35 0.00 0.00 0.00 0.00 53.44 52.44 2roh n ALA 94 Cb 0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 2roh n ALA 94 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2roh s PRO 95 N -3.67 2.60 0.22 0.00 0.04 -1.26 -4.96 135.00 127.98 2roh s PRO 95 Ca 0.57 0.31 0.11 0.00 0.04 0.00 0.00 61.00 62.03 2roh s PRO 95 Cb -0.21 -4.61 -0.05 0.00 0.04 0.00 0.00 34.50 29.67 2roh s PRO 95 CO 0.67 -2.95 -0.22 0.14 0.04 0.00 0.00 177.00 174.69 2roh s VAL 96 N 9.40 2.32 0.43 -0.36 -7.23 -1.26 -5.03 120.40 118.68 2roh s VAL 96 Ca 0.68 -2.16 -0.24 0.00 -1.81 0.00 0.00 61.98 58.45 2roh s VAL 96 Cb -0.11 -2.15 -0.08 0.00 0.56 0.00 0.00 36.38 34.60 2roh s VAL 96 CO 0.13 -0.25 1.18 -2.16 -0.31 0.00 0.00 175.10 173.69 2roh s PRO 97 N -3.00 3.90 0.30 4.82 0.04 -1.26 -4.94 135.00 134.85 2roh s PRO 97 Ca 0.23 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2roh s PRO 97 Cb -0.06 -2.54 0.47 0.00 0.04 0.00 0.00 34.50 32.40 2roh s PRO 97 CO 0.11 -0.45 1.86 -0.56 0.04 0.00 0.00 177.00 178.00 2roh h GLN 98 N 2.34 0.76 -0.68 4.56 3.07 -2.00 -2.33 115.11 120.82 2roh h GLN 98 Ca -0.49 -0.14 0.15 0.00 0.09 0.00 0.00 58.65 58.25 2roh h GLN 98 Cb 1.24 -0.12 -0.04 0.00 0.08 0.00 0.00 27.48 28.64 2roh h GLN 98 CO 0.61 0.68 0.46 1.05 0.09 0.00 0.00 178.83 181.73 2roh h GLU 99 N 0.74 0.30 -0.55 0.06 4.11 -1.99 0.20 114.58 117.45 2roh h GLU 99 Ca 0.17 -0.02 -0.10 0.00 0.07 0.00 0.00 59.36 59.48 2roh h GLU 99 Cb 0.26 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2roh h GLU 99 CO -0.00 0.20 -0.05 -0.07 0.07 0.00 0.00 179.01 179.15 2roh h LEU 100 N 0.31 0.97 -0.58 3.06 4.07 -1.80 -1.36 115.31 119.97 2roh h LEU 100 Ca 0.33 -0.29 -0.10 0.00 0.08 0.00 0.00 57.88 57.90 2roh h LEU 100 Cb 0.86 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 2roh h LEU 100 CO -0.08 1.05 -0.48 -0.07 -1.08 0.00 0.00 178.44 177.78 2roh h LEU 101 N 0.89 0.00 -0.13 1.67 -0.00 -1.07 -2.26 115.31 114.42 2roh h LEU 101 Ca 0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.80 2roh h LEU 101 Cb 0.59 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.26 2roh h LEU 101 CO 0.04 0.48 -0.96 -0.78 -0.00 0.00 0.00 178.44 177.21 2roh h ASP 102 N 0.00 0.66 -0.07 -0.43 1.82 -0.89 -1.67 116.42 115.84 2roh h ASP 102 Ca -0.00 -0.52 -0.16 0.00 -0.39 0.00 0.00 57.03 55.95 2roh h ASP 102 Cb 1.12 -0.20 0.01 0.00 0.68 0.00 0.00 39.33 40.94 2roh h ASP 102 CO 0.06 1.32 -0.58 0.08 -1.61 0.00 0.00 179.24 178.51 2roh h ARG 103 N 0.29 0.53 -0.49 0.28 0.11 -1.24 -1.76 114.38 112.11 2roh h ARG 103 Ca -0.09 -0.47 -0.13 0.00 0.10 0.00 0.00 59.98 59.39 2roh h ARG 103 Cb 1.60 0.11 -0.01 0.00 1.11 0.00 0.00 29.97 32.77 2roh h ARG 103 CO 0.17 1.10 -0.20 -0.39 0.10 0.00 0.00 179.97 180.75 2roh h VAL 104 N 0.11 1.27 0.15 0.08 -1.51 -1.49 -1.76 116.25 113.10 2roh h VAL 104 Ca -0.05 -1.36 -0.01 0.00 -1.23 0.00 0.00 66.70 64.05 2roh h VAL 104 Cb 1.25 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 2roh h VAL 104 CO 0.12 0.47 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.79 2roh h LEU 105 N 0.85 -0.17 -0.27 4.19 3.38 -1.36 -1.64 115.31 120.29 2roh h LEU 105 Ca 0.11 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.84 2roh h LEU 105 Cb 0.77 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2roh h LEU 105 CO 0.06 0.23 -0.01 0.00 0.09 0.00 0.00 178.44 178.81 2roh h ALA 106 N 0.18 0.23 -0.71 1.53 0.00 -1.35 -1.87 119.26 117.28 2roh h ALA 106 Ca -0.02 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2roh h ALA 106 Cb 0.45 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2roh h ALA 106 CO 0.03 -0.42 0.45 0.00 0.00 0.00 0.00 179.25 179.31 2roh h ALA 107 N 1.24 0.91 -0.34 0.00 0.00 -1.35 0.11 119.26 119.83 2roh h ALA 107 Ca 0.13 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2roh h ALA 107 Cb 0.17 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2roh h ALA 107 CO -0.23 0.25 0.07 0.37 0.00 0.00 0.00 179.25 179.71 2roh h GLN 108 N 0.89 0.18 -0.40 0.00 -0.00 -0.67 -1.57 115.11 113.55 2roh h GLN 108 Ca 0.28 -0.01 -0.15 0.00 -0.00 0.00 0.00 58.65 58.76 2roh h GLN 108 Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.41 2roh h GLN 108 CO -0.09 0.12 -0.35 0.00 0.00 0.00 0.00 178.83 178.51 2roh h ALA 109 N 1.25 0.62 -0.76 3.38 0.00 -0.99 -0.93 119.26 121.83 2roh h ALA 109 Ca 0.16 -0.44 0.10 0.00 0.00 0.00 0.00 54.91 54.73 2roh h ALA 109 Cb 0.18 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 2roh h ALA 109 CO -0.21 0.68 0.39 1.88 0.00 0.00 0.00 179.25 181.99 2roh h TYR 110 N 0.77 0.70 0.00 0.00 0.05 -0.28 -0.45 116.97 117.76 2roh h TYR 110 Ca 0.07 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.88 2roh h TYR 110 Cb 0.94 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.48 2roh h TYR 110 CO 0.06 0.24 -0.37 -1.49 -1.05 0.00 0.00 178.16 175.55 2roh h TRP 111 N 0.64 0.00 -2.98 4.88 -0.00 -1.25 -3.45 115.95 113.79 2roh h TRP 111 Ca 0.38 0.00 -0.54 0.00 -0.00 0.00 0.00 58.89 58.73 2roh h TRP 111 Cb 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.57 2roh h TRP 111 CO -0.10 0.00 0.76 0.45 -0.00 0.00 0.00 178.44 179.56 2roh s SER 112 N -5.56 6.91 0.52 -3.49 0.15 -0.18 -4.89 113.70 107.16 2roh s SER 112 Ca 0.05 2.08 0.28 0.00 0.70 0.00 0.00 55.95 59.06 2roh s SER 112 Cb 0.08 -2.57 1.41 0.00 -1.71 0.00 0.00 66.02 63.23 2roh s SER 112 CO 0.70 -0.66 1.93 1.62 1.20 0.00 0.00 173.24 178.03 2roh h VAL 113 N 4.79 0.63 -2.73 4.45 3.04 -1.88 -3.41 116.25 121.15 2roh h VAL 113 Ca -0.38 -0.02 -0.12 0.00 -1.01 0.00 0.00 66.70 65.17 2roh h VAL 113 Cb 1.18 0.58 -0.25 0.00 -2.01 0.00 0.00 31.29 30.80 2roh h VAL 113 CO 0.88 0.01 -0.27 -0.62 -1.01 0.00 0.00 177.57 176.56 2roh s ASP 114 N -5.85 -0.45 0.03 3.17 2.15 -1.26 -5.17 116.67 109.29 2roh s ASP 114 Ca -0.05 0.83 -0.21 0.00 0.43 0.00 0.00 52.55 53.55 2roh s ASP 114 Cb 0.21 0.80 0.04 0.00 -0.30 0.00 0.00 42.92 43.67 2roh s ASP 114 CO 0.76 -0.16 0.47 -0.94 -0.17 0.00 0.00 175.17 175.13 2roh s SER 115 N 0.65 -0.37 1.10 -0.34 1.04 -1.26 -5.05 113.70 109.47 2roh s SER 115 Ca -0.04 0.14 -0.10 0.00 0.48 0.00 0.00 55.95 56.44 2roh s SER 115 Cb -0.05 0.45 0.14 0.00 0.10 0.00 0.00 66.02 66.66 2roh s SER 115 CO -0.04 -0.66 0.58 -1.54 0.98 0.00 0.00 173.24 172.55 2roh n SER 116 N 0.57 -1.17 -4.43 7.02 3.41 -1.26 -4.99 113.62 112.77 2roh n SER 116 Ca -0.19 -0.93 -0.32 0.00 -0.26 0.00 0.00 58.87 57.17 2roh n SER 116 Cb 0.59 -0.50 0.15 0.00 -0.26 0.00 0.00 64.21 64.19 2roh n SER 116 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2roh n GLY 117 N -0.73 -1.85 3.92 5.00 0.00 -1.26 -4.99 105.19 105.28 2roh n GLY 117 Ca 0.08 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 2roh n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2roh s ARG 118 N -3.83 2.64 -0.19 1.61 3.52 -1.26 -4.97 118.95 116.47 2roh s ARG 118 Ca 0.59 -0.08 -0.28 0.00 -0.13 0.00 0.00 55.73 55.83 2roh s ARG 118 Cb -0.20 -2.22 -0.05 0.00 -1.56 0.00 0.00 34.95 30.92 2roh s ARG 118 CO 0.65 -0.92 2.08 0.42 -0.81 0.00 0.00 175.30 176.73 2roh s ILE 119 N -3.11 3.12 -0.91 4.11 -1.09 -1.26 -4.90 121.20 117.16 2roh s ILE 119 Ca 0.56 0.12 -0.00 0.00 -2.23 0.00 0.00 60.65 59.11 2roh s ILE 119 Cb -0.11 -3.14 0.30 0.00 -1.58 0.00 0.00 42.46 37.94 2roh s ILE 119 CO 0.45 -0.07 1.30 1.33 -1.23 0.00 0.00 174.94 176.72 2roh n VAL 120 N 7.24 4.50 -1.02 2.92 0.24 -1.26 -4.82 118.33 126.12 2roh n VAL 120 Ca 0.26 -5.74 -0.25 0.00 -2.04 0.00 0.00 64.34 56.58 2roh n VAL 120 Cb 0.45 -1.93 0.09 0.00 -1.47 0.00 0.00 33.84 30.98 2roh n VAL 120 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2roh n THR 121 N 0.80 3.11 1.31 3.34 5.66 -1.26 -5.31 114.28 121.93 2roh n THR 121 Ca 0.31 -2.11 0.13 0.00 -3.05 0.00 0.00 64.05 59.34 2roh n THR 121 Cb 0.34 -0.98 0.36 0.00 -1.55 0.00 0.00 70.33 68.51 2roh n THR 121 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91