#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 0.77 -0.20 1.61 1.04 -1.26 -5.12 113.70 110.54 2roh s SER 2 Ca 0.00 -1.03 -0.29 0.00 0.48 0.00 0.00 55.95 55.11 2roh s SER 2 Cb 0.00 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 2roh s SER 2 CO 0.00 -0.55 1.60 -2.16 0.98 0.00 0.00 173.24 173.10 2roh s PRO 3 N -3.90 3.85 0.38 4.02 0.04 -1.26 -4.99 135.00 133.14 2roh s PRO 3 Ca 0.11 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.62 2roh s PRO 3 Cb 0.07 -4.02 -0.10 0.00 0.04 0.00 0.00 34.50 30.49 2roh s PRO 3 CO -0.06 -1.22 0.99 -0.06 0.04 0.00 0.00 177.00 176.68 2roh s PHE 4 N 5.00 3.44 0.10 0.56 0.40 -1.26 -5.07 117.98 121.15 2roh s PHE 4 Ca 0.71 1.69 -0.02 0.00 -0.60 0.00 0.00 56.93 58.70 2roh s PHE 4 Cb -0.25 -2.98 -0.03 0.00 0.51 0.00 0.00 43.02 40.26 2roh s PHE 4 CO 0.28 -0.19 0.06 0.00 0.70 0.00 0.00 175.22 176.08 2roh s ALA 5 N -1.77 0.57 0.27 5.36 0.00 -1.26 -5.17 121.76 119.75 2roh s ALA 5 Ca 0.56 -1.26 0.09 0.00 0.00 0.00 0.00 51.96 51.36 2roh s ALA 5 Cb -0.18 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 2roh s ALA 5 CO 0.23 -0.47 0.01 0.16 0.00 0.00 0.00 175.76 175.69 2roh s ASP 6 N -2.98 4.62 0.36 0.00 1.47 -1.26 -5.11 116.67 113.77 2roh s ASP 6 Ca 0.16 -0.62 -0.27 0.00 1.18 0.00 0.00 52.55 53.01 2roh s ASP 6 Cb 0.07 -0.89 -0.09 0.00 -0.34 0.00 0.00 42.92 41.67 2roh s ASP 6 CO -0.03 -0.00 1.21 -2.16 0.68 0.00 0.00 175.17 174.86 2roh s PRO 7 N -3.69 4.21 -0.03 2.11 0.04 -1.26 -4.98 135.00 131.40 2roh s PRO 7 Ca 0.32 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 2roh s PRO 7 Cb -0.06 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 2roh s PRO 7 CO 0.20 -0.22 1.19 1.21 0.04 0.00 0.00 177.00 179.43 2roh s ASN 8 N -0.89 7.07 0.25 6.66 3.84 -1.26 -5.02 114.94 125.59 2roh s ASN 8 Ca 0.53 1.85 0.01 0.00 0.21 0.00 0.00 52.86 55.46 2roh s ASN 8 Cb -0.34 -2.56 -0.04 0.00 -0.55 0.00 0.00 41.25 37.76 2roh s ASN 8 CO 0.44 -0.55 0.14 -0.55 -2.79 0.00 0.00 177.10 173.79 2roh s SER 9 N 1.39 0.88 0.13 -4.21 0.15 -1.26 -5.18 113.70 105.59 2roh s SER 9 Ca 0.56 -1.47 -0.09 0.00 0.70 0.00 0.00 55.95 55.65 2roh s SER 9 Cb -0.25 0.35 -0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2roh s SER 9 CO 0.23 -0.85 0.25 -0.22 1.20 0.00 0.00 173.24 173.85 2roh s LEU 10 N -3.27 1.13 0.19 3.45 2.96 -1.26 -5.18 118.68 116.70 2roh s LEU 10 Ca 0.38 -0.75 0.09 0.00 -0.22 0.00 0.00 54.13 53.63 2roh s LEU 10 Cb 0.06 1.16 -0.04 0.00 0.50 0.00 0.00 46.19 47.87 2roh s LEU 10 CO 0.15 -0.82 -0.10 0.00 -1.32 0.00 0.00 176.35 174.26 2roh s ALA 11 N -3.91 2.92 -0.29 5.97 0.00 -1.26 -5.13 121.76 120.06 2roh s ALA 11 Ca 0.11 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.42 2roh s ALA 11 Cb 0.04 -0.70 0.15 0.00 0.00 0.00 0.00 23.12 22.60 2roh s ALA 11 CO -0.05 0.45 0.98 -1.17 0.00 0.00 0.00 175.76 175.97 2roh s LEU 12 N -2.87 -0.51 0.38 0.00 1.98 -1.26 -5.18 118.68 111.21 2roh s LEU 12 Ca 0.25 0.80 -0.10 0.00 -2.89 0.00 0.00 54.13 52.20 2roh s LEU 12 Cb -0.09 1.73 0.04 0.00 0.66 0.00 0.00 46.19 48.52 2roh s LEU 12 CO 0.15 -0.12 0.66 0.00 -1.89 0.00 0.00 176.35 175.15 2roh s ALA 13 N 1.50 -0.06 0.07 5.97 0.00 -1.26 -5.19 121.76 122.80 2roh s ALA 13 Ca -0.08 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.79 2roh s ALA 13 Cb -0.04 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 2roh s ALA 13 CO -0.15 -0.90 -0.07 0.54 0.00 0.00 0.00 175.76 175.18 2roh s ASN 14 N -3.15 0.95 -0.05 0.00 2.20 -1.26 -5.14 114.94 108.48 2roh s ASN 14 Ca 0.22 -0.82 -0.19 0.00 -0.94 0.00 0.00 52.86 51.13 2roh s ASN 14 Cb -0.03 0.08 -0.05 0.00 -2.00 0.00 0.00 41.25 39.25 2roh s ASN 14 CO 0.16 -0.37 0.52 -0.69 -2.94 0.00 0.00 177.10 173.78 2roh s VAL 15 N -2.74 5.05 0.77 3.54 1.01 -1.26 -5.08 120.40 121.69 2roh s VAL 15 Ca 0.02 1.07 -0.13 0.00 0.00 0.00 0.00 61.98 62.95 2roh s VAL 15 Cb -0.01 -3.86 0.19 0.00 0.00 0.00 0.00 36.38 32.71 2roh s VAL 15 CO -0.03 0.39 0.68 -0.81 0.00 0.00 0.00 175.10 175.34 2roh n PRO 16 N 3.04 -2.35 -3.23 2.72 -0.04 -1.26 -5.10 135.00 128.78 2roh n PRO 16 Ca -0.08 -1.09 -0.15 0.00 -0.04 0.00 0.00 63.50 62.14 2roh n PRO 16 Cb 0.51 -1.02 -0.03 0.00 -0.04 0.00 0.00 33.50 32.92 2roh n PRO 16 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2roh n LEU 17 N 0.00 0.00 -3.52 1.53 4.77 -1.26 -5.15 117.00 113.37 2roh n LEU 17 Ca 0.09 -1.47 -0.13 0.00 -0.03 0.00 0.00 56.01 54.48 2roh n LEU 17 Cb 0.37 0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 2roh n LEU 17 CO 0.25 -0.21 0.32 -0.44 -1.33 0.00 0.00 177.39 175.98 2roh s SER 18 N -2.28 -0.46 -0.14 -1.43 0.01 -1.26 -5.18 113.70 102.94 2roh s SER 18 Ca 0.00 0.02 -0.34 0.00 1.31 0.00 0.00 55.95 56.94 2roh s SER 18 Cb 0.00 0.54 0.13 0.00 0.21 0.00 0.00 66.02 66.90 2roh s SER 18 CO 0.00 -0.85 1.21 0.00 0.41 0.00 0.00 173.24 174.01 2roh s ARG 19 N -3.25 0.36 0.24 12.44 3.03 -1.26 -5.11 118.95 125.39 2roh s ARG 19 Ca -0.01 -0.15 -0.11 0.00 2.03 0.00 0.00 55.73 57.49 2roh s ARG 19 Cb -0.00 0.15 0.04 0.00 -1.03 0.00 0.00 34.95 34.11 2roh s ARG 19 CO -0.08 -0.16 0.59 0.43 -1.13 0.00 0.00 175.30 174.94 2roh n SER 20 N -0.18 -1.52 -3.35 -2.89 7.64 -1.26 -5.15 113.62 106.92 2roh n SER 20 Ca -0.02 -2.00 -0.12 0.00 1.01 0.00 0.00 58.87 57.74 2roh n SER 20 Cb 0.59 2.51 -0.08 0.00 -1.01 0.00 0.00 64.21 66.23 2roh n SER 20 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2roh s LYS 21 N -2.06 0.37 -0.29 1.43 1.02 -1.26 -5.07 119.74 113.88 2roh s LYS 21 Ca 0.12 0.09 -0.23 0.00 0.02 0.00 0.00 55.97 55.97 2roh s LYS 21 Cb -0.03 -0.48 0.16 0.00 -0.52 0.00 0.00 37.83 36.97 2roh s LYS 21 CO 0.07 -0.97 1.22 0.50 -0.92 0.00 0.00 175.35 175.25 2roh s ARG 22 N 2.47 0.25 0.99 1.68 3.52 -1.26 -5.18 118.95 121.43 2roh s ARG 22 Ca 0.10 0.33 -0.12 0.00 -0.13 0.00 0.00 55.73 55.91 2roh s ARG 22 Cb -0.13 0.11 0.18 0.00 -1.56 0.00 0.00 34.95 33.55 2roh s ARG 22 CO -0.29 -0.04 1.09 -1.25 -0.81 0.00 0.00 175.30 174.01 2roh s PRO 23 N 0.38 0.48 -0.28 5.12 0.04 -1.26 -4.99 135.00 134.48 2roh s PRO 23 Ca 0.02 0.55 -0.26 0.00 0.04 0.00 0.00 61.00 61.34 2roh s PRO 23 Cb -0.05 -1.74 0.18 0.00 0.04 0.00 0.00 34.50 32.93 2roh s PRO 23 CO -0.12 -2.70 1.35 0.34 0.04 0.00 0.00 177.00 175.91 2roh s ASP 24 N -3.45 -0.12 0.43 6.66 -1.08 -1.26 -5.17 116.67 112.69 2roh s ASP 24 Ca 0.65 0.19 0.07 0.00 -0.52 0.00 0.00 52.55 52.95 2roh s ASP 24 Cb -0.19 0.19 -0.04 0.00 -1.46 0.00 0.00 42.92 41.43 2roh s ASP 24 CO 0.58 -0.06 0.22 0.12 0.52 0.00 0.00 175.17 176.55 2roh s PHE 25 N -0.28 2.48 0.10 -5.34 5.36 -1.26 -5.05 117.98 113.99 2roh s PHE 25 Ca 0.07 -0.62 -0.16 0.00 -0.96 0.00 0.00 56.93 55.26 2roh s PHE 25 Cb -0.04 -1.97 0.03 0.00 -0.34 0.00 0.00 43.02 40.71 2roh s PHE 25 CO -0.12 0.08 0.38 0.20 -1.46 0.00 0.00 175.22 174.31 2roh s GLY 26 N -3.97 -0.24 0.56 13.12 0.00 -1.26 -5.16 107.32 110.37 2roh s GLY 26 Ca 0.40 -0.03 -0.09 0.00 0.00 0.00 0.00 44.72 44.99 2roh s GLY 26 CO 0.22 -0.28 0.40 -1.06 0.00 0.00 0.00 173.10 172.38 2roh n GLN 27 N -0.05 -2.58 -0.64 2.90 1.13 -1.26 -4.99 117.38 111.89 2roh n GLN 27 Ca -0.16 -0.66 0.06 0.00 -1.94 0.00 0.00 57.00 54.30 2roh n GLN 27 Cb 0.63 -0.73 0.14 0.00 0.11 0.00 0.00 30.24 30.38 2roh n GLN 27 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2roh n ARG 28 N -3.25 1.07 -2.88 -1.09 -4.01 -1.26 -4.80 116.66 100.44 2roh n ARG 28 Ca 0.06 -2.68 -0.12 0.00 -1.04 0.00 0.00 57.85 54.07 2roh n ARG 28 Cb 0.25 -1.18 0.05 0.00 -3.04 0.00 0.00 32.46 28.53 2roh n ARG 28 CO 0.00 0.00 0.00 2.89 -3.04 0.00 0.00 177.63 177.48 2roh n ARG 29 N -0.79 1.03 -4.45 2.89 1.85 -1.26 -4.41 116.66 111.52 2roh n ARG 29 Ca 0.14 -2.50 -0.31 0.00 -1.00 0.00 0.00 57.85 54.18 2roh n ARG 29 Cb 0.77 -1.19 -0.11 0.00 -1.05 0.00 0.00 32.46 30.87 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 -0.88 3.14 -0.26 8.89 -1.09 -1.26 -5.11 121.20 124.63 2roh s ILE 30 Ca 0.29 -1.16 0.01 0.00 -2.23 0.00 0.00 60.65 57.55 2roh s ILE 30 Cb 0.33 -2.39 0.07 0.00 -1.58 0.00 0.00 42.46 38.89 2roh s ILE 30 CO -0.06 0.26 -0.01 0.00 -1.23 0.00 0.00 174.94 173.90 2roh s ARG 31 N -1.74 1.36 -0.12 2.79 1.70 -1.26 -4.82 118.95 116.86 2roh s ARG 31 Ca 0.17 -1.07 -0.04 0.00 -0.47 0.00 0.00 55.73 54.32 2roh s ARG 31 Cb -0.11 -2.52 -0.04 0.00 -0.57 0.00 0.00 34.95 31.71 2roh s ARG 31 CO 0.09 -0.71 0.05 0.50 -1.08 0.00 0.00 175.30 174.14 2roh s ARG 32 N 1.41 3.33 -1.03 3.89 3.52 -1.26 -4.97 118.95 123.83 2roh s ARG 32 Ca -0.01 -0.33 -0.24 0.00 -0.13 0.00 0.00 55.73 55.03 2roh s ARG 32 Cb -0.18 -2.99 -0.07 0.00 -1.56 0.00 0.00 34.95 30.15 2roh s ARG 32 CO -0.10 0.62 1.94 -1.25 -0.81 0.00 0.00 175.30 175.70 2roh s PRO 33 N -0.63 2.53 0.32 5.12 0.04 -1.26 -4.77 135.00 136.36 2roh s PRO 33 Ca 0.11 -0.70 0.10 0.00 0.04 0.00 0.00 61.00 60.54 2roh s PRO 33 Cb -0.12 -5.15 -0.05 0.00 0.04 0.00 0.00 34.50 29.22 2roh s PRO 33 CO 0.02 -3.66 -0.04 -0.59 0.04 0.00 0.00 177.00 172.77 2roh s PHE 34 N 10.50 2.50 0.21 0.56 -0.12 -1.26 -5.15 117.98 125.23 2roh s PHE 34 Ca 0.69 -0.40 0.06 0.00 -0.05 0.00 0.00 56.93 57.23 2roh s PHE 34 Cb -0.04 -1.35 -0.04 0.00 -0.63 0.00 0.00 43.02 40.97 2roh s PHE 34 CO 0.06 0.55 0.18 0.99 -0.05 0.00 0.00 175.22 176.95 2roh s THR 35 N -2.50 4.52 0.34 -4.49 2.01 -1.26 -4.95 115.64 109.31 2roh s THR 35 Ca 0.33 -1.23 0.09 0.00 0.31 0.00 0.00 61.69 61.18 2roh s THR 35 Cb -0.01 -3.39 0.32 0.00 0.01 0.00 0.00 72.50 69.43 2roh s THR 35 CO 0.18 -0.24 1.82 1.62 -0.69 0.00 0.00 174.62 177.31 2roh h VAL 36 N 1.71 0.75 -0.06 3.82 3.04 -1.98 0.20 116.25 123.73 2roh h VAL 36 Ca -0.48 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 64.95 2roh h VAL 36 Cb 1.22 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.49 2roh h VAL 36 CO 0.62 0.13 -0.02 0.00 -1.01 0.00 0.00 177.57 177.29 2roh h ALA 37 N 1.61 0.08 -0.09 3.17 0.00 -1.98 -0.49 119.26 121.56 2roh h ALA 37 Ca 0.52 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2roh h ALA 37 Cb 0.88 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2roh h ALA 37 CO -0.28 -0.20 0.04 0.93 0.00 0.00 0.00 179.25 179.74 2roh h GLU 38 N -0.23 0.12 -0.33 0.00 5.08 -1.69 -1.11 114.58 116.43 2roh h GLU 38 Ca 0.01 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2roh h GLU 38 Cb 0.41 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2roh h GLU 38 CO 0.01 0.19 0.08 0.28 -1.00 0.00 0.00 179.01 178.57 2roh h VAL 39 N 0.02 1.15 0.15 3.13 2.07 -0.69 -0.25 116.25 121.83 2roh h VAL 39 Ca 0.03 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2roh h VAL 39 Cb 0.11 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2roh h VAL 39 CO -0.00 0.19 -0.07 -0.33 0.02 0.00 0.00 177.57 177.38 2roh h GLU 40 N 0.47 -0.19 -0.51 1.57 5.08 -0.74 -0.07 114.58 120.18 2roh h GLU 40 Ca 0.11 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2roh h GLU 40 Cb 0.18 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2roh h GLU 40 CO -0.00 0.16 0.15 -0.07 -1.00 0.00 0.00 179.01 178.25 2roh h LEU 41 N -0.58 0.70 0.38 1.33 3.38 -1.05 -0.29 115.31 119.18 2roh h LEU 41 Ca -0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2roh h LEU 41 Cb 0.44 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2roh h LEU 41 CO 0.03 0.67 -0.18 0.25 0.09 0.00 0.00 178.44 179.30 2roh h LEU 42 N 0.74 -0.43 -1.81 1.67 5.85 -1.01 0.01 115.31 120.32 2roh h LEU 42 Ca 0.17 0.01 0.18 0.00 0.84 0.00 0.00 57.88 59.08 2roh h LEU 42 Cb 0.23 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2roh h LEU 42 CO -0.01 -0.17 0.49 0.58 -0.34 0.00 0.00 178.44 178.99 2roh h VAL 43 N -0.79 0.72 -0.00 1.05 2.07 -1.02 0.12 116.25 118.39 2roh h VAL 43 Ca -0.05 -0.06 -0.21 0.00 0.82 0.00 0.00 66.70 67.20 2roh h VAL 43 Cb 0.39 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2roh h VAL 43 CO 0.09 0.03 -0.89 -0.08 0.02 0.00 0.00 177.57 176.74 2roh h GLU 44 N 0.18 0.29 -0.16 1.57 4.81 -1.04 -1.27 114.58 118.95 2roh h GLU 44 Ca 0.34 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2roh h GLU 44 Cb 1.10 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 2roh h GLU 44 CO -0.06 1.01 -0.05 0.00 -0.73 0.00 0.00 179.01 179.18 2roh h ALA 45 N 0.88 0.22 -0.05 2.92 0.00 0.12 0.28 119.26 123.64 2roh h ALA 45 Ca -0.06 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 2roh h ALA 45 Cb 1.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2roh h ALA 45 CO 0.14 -0.01 -0.70 -0.24 0.00 0.00 0.00 179.25 178.45 2roh h VAL 46 N 0.01 1.41 0.01 0.00 3.04 -1.35 -3.00 116.25 116.37 2roh h VAL 46 Ca 0.04 -2.17 -0.00 0.00 -1.01 0.00 0.00 66.70 63.56 2roh h VAL 46 Cb 0.49 2.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 2roh h VAL 46 CO 0.02 0.64 -0.00 -0.08 -1.01 0.00 0.00 177.57 177.14 2roh h GLU 47 N 0.18 -0.01 -0.29 4.17 4.22 -1.20 0.58 114.58 122.22 2roh h GLU 47 Ca -0.02 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.51 2roh h GLU 47 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2roh h GLU 47 CO 0.11 0.67 0.30 1.25 -2.18 0.00 0.00 179.01 179.17 2roh h HIS 48 N -0.71 0.00 0.00 0.92 2.76 -0.50 -0.02 115.15 117.59 2roh h HIS 48 Ca -0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2roh h HIS 48 Cb 0.69 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.65 2roh h HIS 48 CO 0.17 0.00 -1.89 1.28 -1.30 0.00 0.00 177.93 176.19 2roh n LEU 49 N -3.84 0.00 0.00 0.26 4.77 -1.13 -5.07 117.00 111.99 2roh n LEU 49 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2roh n LEU 49 Cb 0.45 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2roh n LEU 49 CO 0.28 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2roh n GLY 50 N 1.41 0.78 2.46 -0.72 0.00 0.20 -4.69 105.19 104.64 2roh n GLY 50 Ca -0.04 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.24 2roh n GLY 50 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2roh n THR 51 N 0.00 -0.18 -4.42 2.61 5.66 -1.26 -0.97 114.28 115.72 2roh n THR 51 Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 2roh n THR 51 Cb 0.00 -0.54 -0.07 0.00 -1.55 0.00 0.00 70.33 68.16 2roh n THR 51 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2roh n GLY 52 N -0.59 -0.40 3.40 1.09 0.00 -1.26 -4.74 105.19 102.69 2roh n GLY 52 Ca -0.05 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2roh n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2roh n ARG 53 N -3.95 1.95 0.06 1.61 1.74 -0.15 -4.72 116.66 113.20 2roh n ARG 53 Ca 0.11 -2.47 0.18 0.00 -0.77 0.00 0.00 57.85 54.90 2roh n ARG 53 Cb 0.45 -3.46 0.70 0.00 -1.02 0.00 0.00 32.46 29.13 2roh n ARG 53 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2roh h TRP 54 N 8.61 0.00 0.01 -1.55 5.08 -1.85 -0.36 115.95 125.89 2roh h TRP 54 Ca 0.34 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.31 2roh h TRP 54 Cb 0.84 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.00 2roh h TRP 54 CO 1.27 0.00 -0.00 -0.09 -1.28 0.00 0.00 178.44 178.34 2roh h ARG 55 N 0.00 -0.01 -0.21 0.12 9.65 -1.86 -2.23 114.38 119.84 2roh h ARG 55 Ca 0.20 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.10 2roh h ARG 55 Cb 0.82 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.38 2roh h ARG 55 CO -0.00 0.72 0.08 0.22 2.80 0.00 0.00 179.97 183.79 2roh h ASP 56 N -0.77 0.10 -0.33 -3.80 1.82 -1.77 -2.15 116.42 109.52 2roh h ASP 56 Ca -0.00 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2roh h ASP 56 Cb 0.74 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.73 2roh h ASP 56 CO 0.00 0.09 0.20 1.62 -1.61 0.00 0.00 179.24 179.55 2roh h VAL 57 N 0.19 1.11 -0.87 2.25 3.04 -1.20 0.34 116.25 121.10 2roh h VAL 57 Ca 0.09 -0.25 0.14 0.00 -1.01 0.00 0.00 66.70 65.67 2roh h VAL 57 Cb 0.05 0.67 -0.09 0.00 -2.01 0.00 0.00 31.29 29.91 2roh h VAL 57 CO -0.08 0.11 0.48 0.50 -1.01 0.00 0.00 177.57 177.57 2roh h LYS 58 N 0.43 0.68 0.00 4.17 3.11 -1.13 0.69 116.57 124.53 2roh h LYS 58 Ca 0.12 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 57.88 2roh h LYS 58 Cb -0.00 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.07 2roh h LYS 58 CO -0.02 0.45 -0.44 0.35 -2.81 0.00 0.00 179.45 176.98 2roh h PHE 59 N 0.70 0.00 -2.17 1.91 3.57 -1.00 -3.27 116.94 116.68 2roh h PHE 59 Ca 0.47 0.00 -0.64 0.00 3.53 0.00 0.00 57.97 61.33 2roh h PHE 59 Cb 0.61 0.00 -0.39 0.00 2.79 0.00 0.00 35.95 38.96 2roh h PHE 59 CO -0.07 0.15 -0.29 -2.13 -2.23 0.00 0.00 178.31 173.75 2roh n ARG 60 N -3.02 3.65 0.18 1.11 0.63 0.12 -4.21 116.66 115.12 2roh n ARG 60 Ca 0.02 -4.74 0.00 0.00 -0.92 0.00 0.00 57.85 52.21 2roh n ARG 60 Cb 0.60 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 31.23 2roh n ARG 60 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2roh n ALA 61 N -0.26 0.00 -2.06 5.13 0.00 -0.62 -4.57 120.51 118.13 2roh n ALA 61 Ca 0.36 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.85 2roh n ALA 61 Cb 0.40 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.94 2roh n ALA 61 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2roh n PHE 62 N -3.32 0.00 -0.33 0.00 3.01 -1.25 -4.85 117.46 110.72 2roh n PHE 62 Ca 0.00 -0.87 0.06 0.00 1.01 0.00 0.00 57.45 57.65 2roh n PHE 62 Cb 0.00 -0.18 0.22 0.00 -0.01 0.00 0.00 39.48 39.51 2roh n PHE 62 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 2roh h GLU 63 N 0.89 0.87 -0.08 -1.08 4.11 -1.73 -2.11 114.58 115.44 2roh h GLU 63 Ca -0.12 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.21 2roh h GLU 63 Cb 1.49 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 2roh h GLU 63 CO 0.05 0.57 -0.43 -1.71 0.07 0.00 0.00 179.01 177.57 2roh n ASN 64 N -4.68 1.93 -1.33 3.06 5.15 -1.26 -4.61 115.26 113.51 2roh n ASN 64 Ca 0.17 -3.89 0.04 0.00 -0.60 0.00 0.00 54.58 50.31 2roh n ASN 64 Cb 0.35 -0.55 0.07 0.00 -0.53 0.00 0.00 39.78 39.12 2roh n ASN 64 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2roh n VAL 65 N -1.11 0.64 -3.01 3.44 0.31 -0.85 -5.02 118.33 112.73 2roh n VAL 65 Ca 0.22 -1.68 -0.00 0.00 -0.01 0.00 0.00 64.34 62.87 2roh n VAL 65 Cb 0.76 0.67 0.00 0.00 -0.91 0.00 0.00 33.84 34.36 2roh n VAL 65 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2roh n HIS 66 N 0.03 -2.87 -1.28 3.52 8.25 -1.21 -4.95 115.22 116.70 2roh n HIS 66 Ca 0.10 1.09 -0.30 0.00 -0.26 0.00 0.00 57.72 58.35 2roh n HIS 66 Cb 1.02 -4.03 0.23 0.00 1.12 0.00 0.00 29.99 28.33 2roh n HIS 66 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2roh s HIS 67 N -3.01 0.57 0.00 4.41 -3.43 -0.90 -5.04 115.29 107.89 2roh s HIS 67 Ca 0.01 0.40 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 2roh s HIS 67 Cb -0.00 -3.65 0.00 0.00 -1.43 0.00 0.00 32.58 27.50 2roh s HIS 67 CO 0.72 -3.69 0.00 0.54 -2.00 0.00 0.00 174.74 170.31 2roh n ARG 68 N -4.58 0.00 -3.66 -0.38 5.12 -1.26 -5.09 116.66 106.80 2roh n ARG 68 Ca 0.15 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.95 2roh n ARG 68 Cb 0.60 -0.03 -0.08 0.00 -1.16 0.00 0.00 32.46 31.78 2roh n ARG 68 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2roh s THR 69 N -0.51 -0.00 0.30 0.55 2.01 -1.26 -4.99 115.64 111.74 2roh s THR 69 Ca 0.00 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.07 2roh s THR 69 Cb 0.00 -0.86 0.29 0.00 0.01 0.00 0.00 72.50 71.94 2roh s THR 69 CO 0.00 0.01 1.74 0.10 -0.69 0.00 0.00 174.62 175.78 2roh h TYR 70 N 5.93 0.95 -0.23 4.92 -0.00 -1.95 0.35 116.97 126.94 2roh h TYR 70 Ca -0.30 0.04 -0.06 0.00 0.00 0.00 0.00 58.73 58.41 2roh h TYR 70 Cb 1.19 -0.27 -0.01 0.00 0.00 0.00 0.00 36.73 37.63 2roh h TYR 70 CO 0.28 0.12 -0.13 -0.24 -0.00 0.00 0.00 178.16 178.20 2roh h VAL 71 N 0.62 1.21 -0.46 -0.90 3.04 -1.94 -2.26 116.25 115.56 2roh h VAL 71 Ca 0.59 -0.92 -0.08 0.00 -1.01 0.00 0.00 66.70 65.27 2roh h VAL 71 Cb 1.01 1.17 -0.02 0.00 -2.01 0.00 0.00 31.29 31.45 2roh h VAL 71 CO -0.44 0.30 -0.04 -0.78 -1.01 0.00 0.00 177.57 175.60 2roh h ASP 72 N 0.36 0.83 -0.07 3.17 1.82 -0.74 0.26 116.42 122.04 2roh h ASP 72 Ca 0.07 -0.33 -0.01 0.00 -0.39 0.00 0.00 57.03 56.37 2roh h ASP 72 Cb 0.44 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.22 2roh h ASP 72 CO 0.03 0.96 0.02 -0.07 -1.61 0.00 0.00 179.24 178.56 2roh h LEU 73 N 0.68 0.11 -0.28 2.28 4.07 -1.12 0.26 115.31 121.32 2roh h LEU 73 Ca 0.12 -0.24 -0.06 0.00 0.08 0.00 0.00 57.88 57.79 2roh h LEU 73 Cb 0.56 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 2roh h LEU 73 CO 0.03 0.33 -0.05 0.50 -1.08 0.00 0.00 178.44 178.17 2roh h LYS 74 N -0.10 0.52 -0.65 1.13 3.11 -1.40 -1.95 116.57 117.23 2roh h LYS 74 Ca 0.02 -0.19 -0.06 0.00 -2.81 0.00 0.00 60.65 57.61 2roh h LYS 74 Cb 0.26 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.42 2roh h LYS 74 CO 0.00 0.72 0.16 0.22 -2.81 0.00 0.00 179.45 177.74 2roh h ASP 75 N 0.29 0.97 -0.22 4.20 3.58 -0.47 -2.15 116.42 122.62 2roh h ASP 75 Ca 0.07 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 2roh h ASP 75 Cb 0.51 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2roh h ASP 75 CO 0.02 0.93 0.08 0.50 -2.88 0.00 0.00 179.24 177.89 2roh h LYS 76 N 0.98 0.33 0.16 0.28 3.64 -0.39 0.95 116.57 122.53 2roh h LYS 76 Ca 0.21 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2roh h LYS 76 Cb 0.34 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2roh h LYS 76 CO 0.00 0.40 -0.13 2.35 -2.27 0.00 0.00 179.45 179.80 2roh h TRP 77 N 0.19 -0.35 -0.22 1.91 7.01 -1.20 0.22 115.95 123.51 2roh h TRP 77 Ca 0.07 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.07 2roh h TRP 77 Cb 0.21 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 2roh h TRP 77 CO -0.00 -0.21 0.13 -0.22 -2.79 0.00 0.00 178.44 175.35 2roh h LYS 78 N -0.31 0.30 0.12 2.65 3.64 -1.35 -1.00 116.57 120.61 2roh h LYS 78 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2roh h LYS 78 Cb 0.28 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2roh h LYS 78 CO -0.02 0.24 -0.11 1.15 -2.27 0.00 0.00 179.45 178.44 2roh h THR 79 N 0.27 0.75 -0.27 1.00 2.02 -0.63 -1.53 112.91 114.51 2roh h THR 79 Ca 0.08 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.30 2roh h THR 79 Cb 0.02 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2roh h THR 79 CO -0.01 0.00 0.18 0.17 0.37 0.00 0.00 175.52 176.23 2roh h LEU 80 N -0.25 0.18 -0.27 2.58 8.10 -0.46 -1.94 115.31 123.24 2roh h LEU 80 Ca 0.00 -0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 2roh h LEU 80 Cb 0.24 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.41 2roh h LEU 80 CO -0.03 0.12 -0.10 0.58 -4.11 0.00 0.00 178.44 174.90 2roh h VAL 81 N 0.20 1.29 -0.80 0.15 2.07 -0.47 -0.78 116.25 117.92 2roh h VAL 81 Ca 0.12 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 2roh h VAL 81 Cb 0.21 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 2roh h VAL 81 CO -0.02 0.36 0.37 -0.74 0.02 0.00 0.00 177.57 177.57 2roh h HIS 82 N 0.28 1.16 0.00 1.57 2.76 -0.58 0.11 115.15 120.45 2roh h HIS 82 Ca 0.06 -0.06 -0.13 0.00 -2.20 0.00 0.00 60.37 58.05 2roh h HIS 82 Cb 0.59 -0.36 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 2roh h HIS 82 CO 0.06 0.85 -0.60 1.15 -1.30 0.00 0.00 177.93 178.09 2roh h THR 83 N 1.13 1.43 -0.00 6.26 2.02 -1.33 0.14 112.91 122.55 2roh h THR 83 Ca 0.27 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 65.40 2roh h THR 83 Cb 0.13 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2roh h THR 83 CO -0.03 0.59 -0.22 0.00 0.37 0.00 0.00 175.52 176.22 2roh n ALA 84 N -2.42 2.93 -0.09 6.16 0.00 -0.30 -3.86 120.51 122.93 2roh n ALA 84 Ca -0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 2roh n ALA 84 Cb 0.60 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.26 1.60 -3.55 0.00 2.88 -0.02 -5.01 113.62 108.27 2roh n SER 85 Ca 0.09 -0.04 -0.25 0.00 -1.33 0.00 0.00 58.87 57.34 2roh n SER 85 Cb 0.32 0.42 0.23 0.00 -0.75 0.00 0.00 64.21 64.43 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 -2.78 0.00 -0.76 2.46 -5.35 0.01 -4.92 119.36 108.02 2roh n ILE 86 Ca -0.30 -0.08 -0.32 0.00 -0.27 0.00 0.00 62.75 61.78 2roh n ILE 86 Cb 0.97 -0.78 0.13 0.00 -1.74 0.00 0.00 39.64 38.22 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 -5.15 -2.35 0.18 -1.28 0.00 -1.26 -4.83 120.51 105.82 2roh n ALA 87 Ca 0.09 -0.64 0.03 0.00 0.00 0.00 0.00 53.44 52.92 2roh n ALA 87 Cb 0.50 -1.86 0.32 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.67 0.00 0.00 0.00 0.13 -1.91 -2.72 132.00 125.83 2roh h PRO 88 Ca -0.44 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.54 2roh h PRO 88 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2roh h PRO 88 CO 0.36 0.43 -0.70 1.96 -0.23 0.00 0.00 178.00 179.81 2roh h GLN 89 N 0.00 0.00 -0.18 0.86 4.20 -1.96 -3.10 115.11 114.93 2roh h GLN 89 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2roh h GLN 89 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2roh h GLN 89 CO 0.06 0.70 0.00 1.04 -0.67 0.00 0.00 178.83 179.96 2roh n GLN 90 N -3.35 1.83 -1.41 1.46 1.13 -1.11 -4.64 117.38 111.29 2roh n GLN 90 Ca 0.01 -1.25 -0.40 0.00 -1.94 0.00 0.00 57.00 53.42 2roh n GLN 90 Cb 0.79 -1.41 -0.02 0.00 0.11 0.00 0.00 30.24 29.70 2roh n GLN 90 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2roh n ARG 91 N 0.48 2.49 -1.51 -1.09 1.74 -1.04 -4.73 116.66 112.99 2roh n ARG 91 Ca 0.17 -2.21 -0.28 0.00 -0.77 0.00 0.00 57.85 54.75 2roh n ARG 91 Cb 0.37 -3.04 -0.03 0.00 -1.02 0.00 0.00 32.46 28.74 2roh n ARG 91 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2roh n ARG 92 N 5.86 2.42 -0.94 5.56 0.63 -1.26 -4.94 116.66 124.00 2roh n ARG 92 Ca 0.54 -2.50 -0.01 0.00 -0.92 0.00 0.00 57.85 54.96 2roh n ARG 92 Cb 0.35 -2.13 0.01 0.00 0.45 0.00 0.00 32.46 31.13 2roh n ARG 92 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2roh n GLY 93 N 0.57 1.38 3.79 5.14 0.00 -1.26 -4.72 105.19 110.09 2roh n GLY 93 Ca 0.49 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.39 2.41 -1.16 4.61 0.00 -1.26 -4.90 121.76 119.07 2roh s ALA 94 Ca 0.04 0.14 -0.23 0.00 0.00 0.00 0.00 51.96 51.91 2roh s ALA 94 Cb -0.00 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 2roh s ALA 94 CO 0.02 -1.55 1.93 -0.35 0.00 0.00 0.00 175.76 175.82 2roh n PRO 95 N -3.36 1.59 -4.43 0.00 -0.04 -1.26 -4.91 135.00 122.60 2roh n PRO 95 Ca 0.08 -2.43 -0.25 0.00 -0.04 0.00 0.00 63.50 60.85 2roh n PRO 95 Cb 0.54 -3.69 -0.11 0.00 -0.04 0.00 0.00 33.50 30.20 2roh n PRO 95 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2roh s VAL 96 N 10.72 2.32 0.82 0.52 -7.23 -1.26 -4.99 120.40 121.30 2roh s VAL 96 Ca 0.68 -2.13 -0.11 0.00 -1.81 0.00 0.00 61.98 58.61 2roh s VAL 96 Cb 0.00 -2.14 0.09 0.00 0.56 0.00 0.00 36.38 34.89 2roh s VAL 96 CO 0.14 -0.22 1.09 -2.16 -0.31 0.00 0.00 175.10 173.63 2roh s PRO 97 N -2.93 1.84 0.42 4.82 0.04 -1.26 -4.94 135.00 132.98 2roh s PRO 97 Ca 0.23 1.02 0.11 0.00 0.04 0.00 0.00 61.00 62.39 2roh s PRO 97 Cb -0.07 -1.86 0.89 0.00 0.04 0.00 0.00 34.50 33.50 2roh s PRO 97 CO 0.11 -1.90 1.98 1.96 0.04 0.00 0.00 177.00 179.19 2roh h GLN 98 N -1.31 0.22 -0.71 4.56 4.20 -2.00 -2.65 115.11 117.43 2roh h GLN 98 Ca -0.46 -0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.30 2roh h GLN 98 Cb 1.25 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.92 2roh h GLN 98 CO 0.53 0.30 0.35 1.05 -0.67 0.00 0.00 178.83 180.39 2roh h GLU 99 N 0.22 0.58 -0.88 1.46 4.11 -1.98 0.02 114.58 118.11 2roh h GLU 99 Ca 0.05 -0.04 0.08 0.00 0.07 0.00 0.00 59.36 59.52 2roh h GLU 99 Cb 0.25 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 2roh h GLU 99 CO 0.01 0.39 0.54 -0.07 0.07 0.00 0.00 179.01 179.95 2roh h LEU 100 N 0.60 0.83 -0.69 3.06 -0.00 -1.84 0.16 115.31 117.43 2roh h LEU 100 Ca 0.35 0.03 -0.07 0.00 -0.00 0.00 0.00 57.88 58.19 2roh h LEU 100 Cb 0.37 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 2roh h LEU 100 CO -0.27 0.51 -0.34 -0.07 -0.00 0.00 0.00 178.44 178.27 2roh h LEU 101 N 0.95 0.00 -0.19 1.67 -0.00 -1.31 -2.21 115.31 114.22 2roh h LEU 101 Ca 0.40 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 58.06 2roh h LEU 101 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 2roh h LEU 101 CO -0.20 0.34 -0.90 -0.78 -0.00 0.00 0.00 178.44 176.90 2roh h ASP 102 N 0.00 0.62 0.02 -0.43 1.82 0.69 -1.66 116.42 117.48 2roh h ASP 102 Ca -0.00 -0.47 -0.20 0.00 -0.39 0.00 0.00 57.03 55.97 2roh h ASP 102 Cb 0.99 -0.19 0.02 0.00 0.68 0.00 0.00 39.33 40.83 2roh h ASP 102 CO 0.04 1.25 -0.80 0.08 -1.61 0.00 0.00 179.24 178.21 2roh h ARG 103 N 0.29 0.50 -0.48 0.28 0.11 -1.00 -1.66 114.38 112.42 2roh h ARG 103 Ca -0.07 -0.57 -0.11 0.00 0.10 0.00 0.00 59.98 59.33 2roh h ARG 103 Cb 1.52 0.17 -0.02 0.00 1.11 0.00 0.00 29.97 32.76 2roh h ARG 103 CO 0.16 1.20 -0.15 -0.39 0.10 0.00 0.00 179.97 180.90 2roh h VAL 104 N 0.04 1.27 -0.01 0.08 -1.51 -1.48 -1.67 116.25 112.97 2roh h VAL 104 Ca -0.11 -1.28 -0.01 0.00 -1.23 0.00 0.00 66.70 64.08 2roh h VAL 104 Cb 1.50 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.71 2roh h VAL 104 CO 0.16 0.44 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.85 2roh h LEU 105 N 0.81 0.03 -0.94 4.19 3.38 -1.37 -1.72 115.31 119.69 2roh h LEU 105 Ca 0.12 -0.57 0.07 0.00 0.09 0.00 0.00 57.88 57.59 2roh h LEU 105 Cb 0.69 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 2roh h LEU 105 CO 0.05 0.60 0.59 0.00 0.09 0.00 0.00 178.44 179.77 2roh h ALA 106 N 0.44 1.30 -0.24 1.53 0.00 -1.31 -1.91 119.26 119.07 2roh h ALA 106 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2roh h ALA 106 Cb 0.59 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2roh h ALA 106 CO 0.00 0.35 -0.12 0.00 0.00 0.00 0.00 179.25 179.49 2roh h ALA 107 N 1.44 0.34 -0.22 0.00 0.00 -1.32 -1.46 119.26 118.04 2roh h ALA 107 Ca 0.41 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2roh h ALA 107 Cb 0.19 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2roh h ALA 107 CO -0.18 0.20 -0.13 0.37 0.00 0.00 0.00 179.25 179.51 2roh h GLN 108 N 0.23 -0.11 -0.63 0.00 5.75 -0.79 -1.09 115.11 118.47 2roh h GLN 108 Ca 0.05 0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.49 2roh h GLN 108 Cb 0.62 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 2roh h GLN 108 CO 0.04 -0.07 0.10 0.00 -2.65 0.00 0.00 178.83 176.24 2roh h ALA 109 N 1.05 0.83 -0.87 3.38 0.00 -1.38 -1.25 119.26 121.03 2roh h ALA 109 Ca 0.12 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.86 2roh h ALA 109 Cb 0.30 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2roh h ALA 109 CO -0.29 0.60 0.56 -0.92 0.00 0.00 0.00 179.25 179.20 2roh h TYR 110 N 0.96 0.92 -0.43 0.00 3.20 -0.59 0.11 116.97 121.13 2roh h TYR 110 Ca 0.19 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.08 2roh h TYR 110 Cb 0.44 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2roh h TYR 110 CO 0.03 0.42 0.00 0.91 -1.64 0.00 0.00 178.16 177.89 2roh n TRP 111 N -4.52 0.57 -4.39 -3.82 5.03 -0.47 -4.91 117.44 104.91 2roh n TRP 111 Ca 0.15 -0.28 -0.27 0.00 3.03 0.00 0.00 57.50 60.12 2roh n TRP 111 Cb 0.31 0.00 -0.12 0.00 -1.03 0.00 0.00 31.31 30.47 2roh n TRP 111 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2roh s SER 112 N -1.30 3.55 0.28 -0.99 0.15 0.38 -4.95 113.70 110.82 2roh s SER 112 Ca 0.38 -0.79 0.09 0.00 0.70 0.00 0.00 55.95 56.33 2roh s SER 112 Cb 0.21 -0.33 0.39 0.00 -1.71 0.00 0.00 66.02 64.58 2roh s SER 112 CO 0.29 0.13 1.63 1.62 1.20 0.00 0.00 173.24 178.11 2roh h VAL 113 N 3.26 1.40 -1.26 4.45 3.04 -1.89 -3.46 116.25 121.79 2roh h VAL 113 Ca -0.47 -1.95 0.16 0.00 -1.01 0.00 0.00 66.70 63.43 2roh h VAL 113 Cb 1.20 2.03 -0.31 0.00 -2.01 0.00 0.00 31.29 32.20 2roh h VAL 113 CO 0.47 0.56 0.62 -0.62 -1.01 0.00 0.00 177.57 177.59 2roh s ASP 114 N -6.87 -0.24 -0.14 3.17 2.15 -1.26 -5.13 116.67 108.35 2roh s ASP 114 Ca -0.02 0.40 -0.06 0.00 0.43 0.00 0.00 52.55 53.30 2roh s ASP 114 Cb 0.13 0.97 -0.04 0.00 -0.30 0.00 0.00 42.92 43.68 2roh s ASP 114 CO 0.77 -0.06 0.06 -0.55 -0.17 0.00 0.00 175.17 175.22 2roh s SER 115 N 0.96 5.71 0.81 -0.34 0.15 -1.26 -5.07 113.70 114.66 2roh s SER 115 Ca -0.06 0.19 -0.12 0.00 0.70 0.00 0.00 55.95 56.67 2roh s SER 115 Cb -0.03 -1.86 0.09 0.00 -1.71 0.00 0.00 66.02 62.51 2roh s SER 115 CO -0.12 0.29 1.17 -0.94 1.20 0.00 0.00 173.24 174.84 2roh s SER 116 N -0.31 4.41 0.00 5.45 1.04 -1.26 -5.09 113.70 117.95 2roh s SER 116 Ca 0.09 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.22 2roh s SER 116 Cb -0.12 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.83 2roh s SER 116 CO 0.02 -1.95 0.00 0.61 0.98 0.00 0.00 173.24 172.90 2roh n GLY 117 N -3.32 2.95 3.81 7.32 0.00 -1.26 -5.06 105.19 109.64 2roh n GLY 117 Ca 0.09 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2roh n GLY 117 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2roh s ARG 118 N -1.48 2.23 -0.58 1.61 1.70 -1.26 -5.03 118.95 116.13 2roh s ARG 118 Ca 0.00 -2.38 -0.26 0.00 -0.47 0.00 0.00 55.73 52.62 2roh s ARG 118 Cb 0.00 -1.62 -0.09 0.00 -0.57 0.00 0.00 34.95 32.67 2roh s ARG 118 CO 0.00 -0.46 2.41 0.42 -1.08 0.00 0.00 175.30 176.59 2roh s ILE 119 N -2.89 3.00 0.24 4.99 -1.09 -1.26 -4.93 121.20 119.27 2roh s ILE 119 Ca 0.07 0.00 -0.15 0.00 -2.23 0.00 0.00 60.65 58.34 2roh s ILE 119 Cb -0.00 -3.01 -0.08 0.00 -1.58 0.00 0.00 42.46 37.79 2roh s ILE 119 CO 0.04 -0.01 0.65 0.68 -1.23 0.00 0.00 174.94 175.07 2roh s VAL 120 N 13.07 4.75 -0.48 2.92 -7.23 -1.26 -4.98 120.40 127.19 2roh s VAL 120 Ca 0.96 0.90 -0.02 0.00 -1.81 0.00 0.00 61.98 62.01 2roh s VAL 120 Cb -0.16 -3.70 0.30 0.00 0.56 0.00 0.00 36.38 33.38 2roh s VAL 120 CO 0.20 0.03 2.08 0.41 -0.31 0.00 0.00 175.10 177.52 2roh n THR 121 N 0.22 3.17 1.58 5.32 -1.04 -1.26 -5.03 114.28 117.24 2roh n THR 121 Ca -0.01 -2.33 0.14 0.00 -2.04 0.00 0.00 64.05 59.82 2roh n THR 121 Cb 0.52 -1.28 0.60 0.00 -1.82 0.00 0.00 70.33 68.34 2roh n THR 121 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32