#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 5.11 0.40 1.61 0.01 -1.26 -5.10 113.70 114.47 2roh s SER 2 Ca 0.00 -0.44 -0.25 0.00 1.31 0.00 0.00 55.95 56.57 2roh s SER 2 Cb 0.00 -1.14 -0.08 0.00 0.21 0.00 0.00 66.02 65.00 2roh s SER 2 CO 0.00 -0.06 1.19 -2.16 0.41 0.00 0.00 173.24 172.62 2roh s PRO 3 N -3.79 4.04 0.20 12.44 0.04 -1.26 -5.05 135.00 141.62 2roh s PRO 3 Ca 0.33 1.89 0.01 0.00 0.04 0.00 0.00 61.00 63.27 2roh s PRO 3 Cb -0.07 -2.69 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 2roh s PRO 3 CO 0.23 -0.35 0.06 -0.06 0.04 0.00 0.00 177.00 176.92 2roh s PHE 4 N -1.39 1.26 -0.15 0.56 0.08 -1.26 -5.15 117.98 111.93 2roh s PHE 4 Ca 0.57 -1.16 -0.01 0.00 0.12 0.00 0.00 56.93 56.46 2roh s PHE 4 Cb -0.32 -0.71 -0.01 0.00 -0.57 0.00 0.00 43.02 41.41 2roh s PHE 4 CO 0.40 -0.36 -0.12 0.00 -0.10 0.00 0.00 175.22 175.04 2roh s ALA 5 N -3.82 2.61 0.26 5.36 0.00 -1.26 -5.12 121.76 119.80 2roh s ALA 5 Ca 0.31 -0.98 0.09 0.00 0.00 0.00 0.00 51.96 51.38 2roh s ALA 5 Cb 0.07 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 2roh s ALA 5 CO 0.08 0.06 0.03 0.16 0.00 0.00 0.00 175.76 176.09 2roh s ASP 6 N 0.66 4.70 -1.02 0.00 1.47 -1.26 -5.04 116.67 116.19 2roh s ASP 6 Ca -0.06 -0.58 -0.24 0.00 1.18 0.00 0.00 52.55 52.84 2roh s ASP 6 Cb -0.15 -0.93 -0.06 0.00 -0.34 0.00 0.00 42.92 41.43 2roh s ASP 6 CO 0.02 -0.01 1.94 -2.16 0.68 0.00 0.00 175.17 175.65 2roh s PRO 7 N -3.70 2.53 0.49 2.11 0.04 -1.26 -4.95 135.00 130.25 2roh s PRO 7 Ca 0.32 -0.64 -0.05 0.00 0.04 0.00 0.00 61.00 60.67 2roh s PRO 7 Cb -0.07 -5.13 -0.03 0.00 0.04 0.00 0.00 34.50 29.31 2roh s PRO 7 CO 0.21 -3.63 0.78 1.21 0.04 0.00 0.00 177.00 175.61 2roh s ASN 8 N 7.43 6.12 -0.85 6.66 3.84 -1.26 -4.96 114.94 131.92 2roh s ASN 8 Ca 0.69 0.81 -0.25 0.00 0.21 0.00 0.00 52.86 54.33 2roh s ASN 8 Cb -0.04 -2.09 -0.07 0.00 -0.55 0.00 0.00 41.25 38.50 2roh s ASN 8 CO 0.05 -0.65 2.08 -0.44 -2.79 0.00 0.00 177.10 175.34 2roh s SER 9 N -4.14 4.79 -0.63 -4.21 0.01 -1.26 -4.89 113.70 103.37 2roh s SER 9 Ca 0.48 -0.39 -0.09 0.00 1.31 0.00 0.00 55.95 57.27 2roh s SER 9 Cb -0.10 -2.55 0.16 0.00 0.21 0.00 0.00 66.02 63.74 2roh s SER 9 CO 0.44 -3.04 0.51 -0.22 0.41 0.00 0.00 173.24 171.34 2roh s LEU 10 N 11.35 5.87 -1.31 2.44 0.20 -1.26 -4.67 118.68 131.30 2roh s LEU 10 Ca 0.77 -2.46 -0.01 0.00 0.69 0.00 0.00 54.13 53.12 2roh s LEU 10 Cb -0.09 -2.02 -0.00 0.00 -0.43 0.00 0.00 46.19 43.65 2roh s LEU 10 CO 0.03 -0.55 0.66 0.00 -0.29 0.00 0.00 176.35 176.20 2roh n ALA 11 N 4.16 -2.05 -1.75 5.97 0.00 -1.26 -4.89 120.51 120.69 2roh n ALA 11 Ca 0.04 -0.18 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 2roh n ALA 11 Cb 0.42 -2.02 0.02 0.00 0.00 0.00 0.00 19.45 17.87 2roh n ALA 11 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2roh n LEU 12 N -4.27 5.04 -3.67 0.00 -0.00 -1.26 -5.01 117.00 107.83 2roh n LEU 12 Ca -0.29 1.10 -0.27 0.00 -0.00 0.00 0.00 56.01 56.55 2roh n LEU 12 Cb 0.68 -1.59 -0.17 0.00 -0.00 0.00 0.00 43.42 42.34 2roh n LEU 12 CO 0.69 -0.28 -0.35 0.00 -0.00 0.00 0.00 177.39 177.45 2roh s ALA 13 N -1.21 0.74 0.09 1.47 0.00 -1.26 -5.14 121.76 116.46 2roh s ALA 13 Ca 0.63 -0.56 0.09 0.00 0.00 0.00 0.00 51.96 52.11 2roh s ALA 13 Cb -0.45 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 2roh s ALA 13 CO 0.56 -1.20 -0.23 0.54 0.00 0.00 0.00 175.76 175.43 2roh s ASN 14 N 1.99 2.74 0.13 0.00 2.20 -1.26 -5.12 114.94 115.61 2roh s ASN 14 Ca 0.01 -0.65 -0.30 0.00 -0.94 0.00 0.00 52.86 50.97 2roh s ASN 14 Cb -0.17 -0.18 -0.07 0.00 -2.00 0.00 0.00 41.25 38.83 2roh s ASN 14 CO -0.10 0.12 1.15 -0.69 -2.94 0.00 0.00 177.10 174.65 2roh s VAL 15 N -1.03 3.89 -0.34 3.54 1.01 -1.26 -4.97 120.40 121.25 2roh s VAL 15 Ca 0.09 1.50 -0.29 0.00 0.00 0.00 0.00 61.98 63.29 2roh s VAL 15 Cb -0.10 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 2roh s VAL 15 CO 0.04 0.20 1.70 -2.16 0.00 0.00 0.00 175.10 174.87 2roh s PRO 16 N 0.24 3.42 0.54 2.72 0.04 -1.26 -4.98 135.00 135.72 2roh s PRO 16 Ca 0.54 1.32 -0.21 0.00 0.04 0.00 0.00 61.00 62.69 2roh s PRO 16 Cb -0.30 -4.15 -0.05 0.00 0.04 0.00 0.00 34.50 30.04 2roh s PRO 16 CO 0.33 -1.76 1.23 -0.48 0.04 0.00 0.00 177.00 176.36 2roh s LEU 17 N 6.44 3.81 0.00 -3.56 0.05 -1.26 -5.02 118.68 119.14 2roh s LEU 17 Ca 0.75 2.45 -0.12 0.00 0.05 0.00 0.00 54.13 57.26 2roh s LEU 17 Cb -0.20 -4.42 0.05 0.00 -2.05 0.00 0.00 46.19 39.56 2roh s LEU 17 CO 0.33 -1.38 0.61 -1.20 -0.55 0.00 0.00 176.35 174.17 2roh n SER 18 N -1.13 -1.75 -3.52 1.48 7.64 -1.26 -5.19 113.62 109.88 2roh n SER 18 Ca 0.11 -2.20 -0.08 0.00 1.01 0.00 0.00 58.87 57.71 2roh n SER 18 Cb 0.48 2.92 -0.02 0.00 -1.01 0.00 0.00 64.21 66.58 2roh n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2roh s ARG 19 N -2.07 0.78 -0.02 1.43 1.70 -1.26 -5.17 118.95 114.34 2roh s ARG 19 Ca 0.12 -0.29 0.07 0.00 -0.47 0.00 0.00 55.73 55.16 2roh s ARG 19 Cb -0.04 0.35 -0.02 0.00 -0.57 0.00 0.00 34.95 34.68 2roh s ARG 19 CO 0.09 -0.34 -0.22 -1.54 -1.08 0.00 0.00 175.30 172.21 2roh s SER 20 N -2.47 2.58 -0.11 -2.89 1.04 -1.26 -5.13 113.70 105.46 2roh s SER 20 Ca 0.06 -0.40 -0.29 0.00 0.48 0.00 0.00 55.95 55.80 2roh s SER 20 Cb -0.01 -0.32 0.07 0.00 0.10 0.00 0.00 66.02 65.85 2roh s SER 20 CO -0.08 0.26 0.67 -1.59 0.98 0.00 0.00 173.24 173.49 2roh s LYS 21 N -0.47 0.98 -0.48 4.02 0.00 -1.26 -5.11 119.74 117.42 2roh s LYS 21 Ca 0.07 0.45 0.06 0.00 0.00 0.00 0.00 55.97 56.56 2roh s LYS 21 Cb -0.09 0.46 0.23 0.00 0.00 0.00 0.00 37.83 38.44 2roh s LYS 21 CO -0.01 -0.26 0.82 2.89 0.00 0.00 0.00 175.35 178.80 2roh n ARG 22 N 1.44 0.74 -1.25 1.78 1.85 -1.26 -5.15 116.66 114.80 2roh n ARG 22 Ca -0.18 -1.94 -0.31 0.00 -1.00 0.00 0.00 57.85 54.42 2roh n ARG 22 Cb 0.56 -1.45 0.10 0.00 -1.05 0.00 0.00 32.46 30.62 2roh n ARG 22 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2roh s PRO 23 N 0.51 2.16 0.22 2.89 0.04 -1.26 -5.06 135.00 134.50 2roh s PRO 23 Ca 0.32 1.14 -0.21 0.00 0.04 0.00 0.00 61.00 62.29 2roh s PRO 23 Cb 0.19 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.92 2roh s PRO 23 CO -0.21 -1.70 0.98 0.16 0.04 0.00 0.00 177.00 176.26 2roh s ASP 24 N -3.39 -0.03 -0.00 6.66 -4.77 -1.26 -5.19 116.67 108.69 2roh s ASP 24 Ca 0.61 -0.71 -0.15 0.00 -3.30 0.00 0.00 52.55 49.00 2roh s ASP 24 Cb -0.17 0.56 0.02 0.00 -1.09 0.00 0.00 42.92 42.25 2roh s ASP 24 CO 0.56 -1.11 0.33 0.72 0.70 0.00 0.00 175.17 176.37 2roh s PHE 25 N -2.42 -0.18 -0.30 2.11 -0.71 -1.26 -5.03 117.98 110.19 2roh s PHE 25 Ca 0.19 0.23 -0.11 0.00 -1.04 0.00 0.00 56.93 56.19 2roh s PHE 25 Cb -0.03 0.11 0.18 0.00 -1.21 0.00 0.00 43.02 42.08 2roh s PHE 25 CO 0.06 -0.43 1.04 0.20 -1.34 0.00 0.00 175.22 174.74 2roh s GLY 26 N -1.52 -0.83 -0.15 1.99 0.00 -1.26 -5.15 107.32 100.40 2roh s GLY 26 Ca -0.11 2.20 -0.04 0.00 0.00 0.00 0.00 44.72 46.77 2roh s GLY 26 CO 0.03 4.05 -0.01 -0.86 0.00 0.00 0.00 173.10 176.31 2roh s GLN 27 N 2.95 3.60 -0.41 2.90 -2.07 -1.26 -4.66 119.66 120.71 2roh s GLN 27 Ca 0.22 -0.46 0.02 0.00 -1.82 0.00 0.00 55.36 53.32 2roh s GLN 27 Cb -0.03 -2.96 0.12 0.00 -1.09 0.00 0.00 33.01 29.05 2roh s GLN 27 CO -0.21 0.35 0.18 0.50 -1.32 0.00 0.00 175.29 174.79 2roh s ARG 28 N 0.10 1.32 0.34 9.60 6.06 -1.26 -5.11 118.95 129.99 2roh s ARG 28 Ca 0.01 -1.89 -0.26 0.00 -2.50 0.00 0.00 55.73 51.10 2roh s ARG 28 Cb -0.13 -2.59 -0.10 0.00 0.06 0.00 0.00 34.95 32.19 2roh s ARG 28 CO 0.02 -1.07 0.95 1.03 -2.50 0.00 0.00 175.30 173.73 2roh s ARG 29 N 0.61 4.53 0.14 5.12 0.52 -1.26 -4.88 118.95 123.73 2roh s ARG 29 Ca 0.15 1.32 0.11 0.00 -0.52 0.00 0.00 55.73 56.78 2roh s ARG 29 Cb -0.22 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 2roh s ARG 29 CO -0.07 0.23 -0.27 0.42 0.02 0.00 0.00 175.30 175.64 2roh s ILE 30 N -1.67 2.28 0.00 1.52 -1.09 -1.26 -5.09 121.20 115.88 2roh s ILE 30 Ca 0.52 -1.79 0.00 0.00 -2.23 0.00 0.00 60.65 57.14 2roh s ILE 30 Cb -0.18 -2.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.68 2roh s ILE 30 CO 0.23 0.06 0.10 -1.14 -1.23 0.00 0.00 174.94 172.97 2roh n ARG 31 N 0.83 0.00 -3.88 2.79 0.63 -1.26 -4.88 116.66 110.89 2roh n ARG 31 Ca -0.17 0.24 -0.36 0.00 -0.92 0.00 0.00 57.85 56.64 2roh n ARG 31 Cb 0.53 -0.81 -0.07 0.00 0.45 0.00 0.00 32.46 32.56 2roh n ARG 31 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2roh s ARG 32 N -0.68 3.68 0.51 -0.14 6.06 -1.26 -5.09 118.95 122.03 2roh s ARG 32 Ca 0.00 -0.19 -0.21 0.00 -2.50 0.00 0.00 55.73 52.83 2roh s ARG 32 Cb 0.00 -3.24 -0.06 0.00 0.06 0.00 0.00 34.95 31.71 2roh s ARG 32 CO 0.00 0.59 1.14 -1.25 -2.50 0.00 0.00 175.30 173.28 2roh s PRO 33 N -0.49 3.51 0.33 5.12 0.04 -1.26 -5.06 135.00 137.19 2roh s PRO 33 Ca 0.12 1.68 0.09 0.00 0.04 0.00 0.00 61.00 62.93 2roh s PRO 33 Cb -0.12 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 2roh s PRO 33 CO 0.02 -0.73 -0.02 -0.59 0.04 0.00 0.00 177.00 175.71 2roh s PHE 34 N -1.68 2.52 0.26 0.56 -0.12 -1.26 -5.15 117.98 113.11 2roh s PHE 34 Ca 0.69 -0.41 0.08 0.00 -0.05 0.00 0.00 56.93 57.24 2roh s PHE 34 Cb -0.26 -1.39 -0.04 0.00 -0.63 0.00 0.00 43.02 40.70 2roh s PHE 34 CO 0.30 0.53 0.11 0.99 -0.05 0.00 0.00 175.22 177.10 2roh s THR 35 N -2.51 4.01 0.39 -4.49 2.01 -1.26 -4.95 115.64 108.85 2roh s THR 35 Ca 0.34 -1.63 0.16 0.00 0.31 0.00 0.00 61.69 60.87 2roh s THR 35 Cb -0.01 -3.16 0.37 0.00 0.01 0.00 0.00 72.50 69.71 2roh s THR 35 CO 0.19 -0.36 1.82 1.62 -0.69 0.00 0.00 174.62 177.19 2roh h VAL 36 N 1.66 0.65 -0.06 3.82 3.04 -1.98 0.13 116.25 123.51 2roh h VAL 36 Ca -0.47 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.04 2roh h VAL 36 Cb 1.24 0.13 -0.00 0.00 -2.01 0.00 0.00 31.29 30.65 2roh h VAL 36 CO 0.61 0.09 -0.05 0.00 -1.01 0.00 0.00 177.57 177.20 2roh h ALA 37 N 1.61 0.09 -0.08 3.17 0.00 -1.98 -0.88 119.26 121.19 2roh h ALA 37 Ca 0.52 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2roh h ALA 37 Cb 1.21 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2roh h ALA 37 CO -0.24 -0.12 0.04 1.49 0.00 0.00 0.00 179.25 180.42 2roh h GLU 38 N -0.27 0.11 -0.58 0.00 4.57 -1.58 -1.01 114.58 115.82 2roh h GLU 38 Ca 0.01 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2roh h GLU 38 Cb 0.54 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 2roh h GLU 38 CO 0.01 0.15 0.23 0.28 -1.18 0.00 0.00 179.01 178.51 2roh h VAL 39 N 0.04 1.21 -0.19 0.32 2.07 -0.86 -1.94 116.25 116.91 2roh h VAL 39 Ca 0.03 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 2roh h VAL 39 Cb 0.07 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2roh h VAL 39 CO -0.00 0.26 0.03 -0.33 0.02 0.00 0.00 177.57 177.54 2roh h GLU 40 N 0.83 0.32 -0.22 1.57 5.08 -0.85 -1.95 114.58 119.36 2roh h GLU 40 Ca 0.20 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2roh h GLU 40 Cb 0.16 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2roh h GLU 40 CO -0.02 0.48 0.14 -0.07 -1.00 0.00 0.00 179.01 178.53 2roh h LEU 41 N 0.11 0.23 0.09 1.33 3.38 -0.95 -1.54 115.31 117.95 2roh h LEU 41 Ca 0.06 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2roh h LEU 41 Cb 0.31 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2roh h LEU 41 CO 0.00 0.17 -0.20 0.25 0.09 0.00 0.00 178.44 178.75 2roh h LEU 42 N 0.28 -0.56 -0.91 1.67 6.46 -1.31 -0.95 115.31 119.99 2roh h LEU 42 Ca 0.08 0.07 0.12 0.00 -0.12 0.00 0.00 57.88 58.03 2roh h LEU 42 Cb -0.02 0.22 -0.08 0.00 -0.73 0.00 0.00 40.66 40.04 2roh h LEU 42 CO -0.03 -0.28 0.54 0.58 -0.62 0.00 0.00 178.44 178.63 2roh h VAL 43 N -0.37 0.88 -0.20 1.05 2.07 -1.20 0.15 116.25 118.62 2roh h VAL 43 Ca 0.03 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 2roh h VAL 43 Cb 0.40 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2roh h VAL 43 CO -0.12 0.16 -0.14 -0.08 0.02 0.00 0.00 177.57 177.40 2roh h GLU 44 N 0.85 0.33 0.02 1.57 4.81 -0.68 0.35 114.58 121.83 2roh h GLU 44 Ca 0.46 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2roh h GLU 44 Cb 0.48 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2roh h GLU 44 CO -0.28 0.47 -0.01 0.00 -0.73 0.00 0.00 179.01 178.47 2roh h ALA 45 N 1.55 -0.02 -0.00 2.92 0.00 0.38 0.31 119.26 124.39 2roh h ALA 45 Ca 0.06 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 2roh h ALA 45 Cb 0.44 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2roh h ALA 45 CO 0.03 -0.39 -0.85 -0.24 0.00 0.00 0.00 179.25 177.79 2roh h VAL 46 N -0.26 1.48 -0.26 0.00 3.04 -1.29 -3.21 116.25 115.75 2roh h VAL 46 Ca -0.00 -2.55 -0.15 0.00 -1.01 0.00 0.00 66.70 62.99 2roh h VAL 46 Cb 0.25 2.42 -0.00 0.00 -2.01 0.00 0.00 31.29 31.95 2roh h VAL 46 CO 0.00 0.74 -0.44 -0.08 -1.01 0.00 0.00 177.57 176.78 2roh h GLU 47 N 0.12 0.75 -0.76 4.17 4.57 -0.27 0.46 114.58 123.63 2roh h GLU 47 Ca -0.04 -0.47 0.09 0.00 -1.18 0.00 0.00 59.36 57.76 2roh h GLU 47 Cb 1.47 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 30.06 2roh h GLU 47 CO 0.13 1.09 0.50 1.25 -1.18 0.00 0.00 179.01 180.80 2roh h HIS 48 N 0.49 0.74 -0.22 0.92 2.76 -0.43 -1.01 115.15 118.40 2roh h HIS 48 Ca 0.02 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2roh h HIS 48 Cb 1.05 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.76 2roh h HIS 48 CO 0.08 0.36 0.00 1.28 -1.30 0.00 0.00 177.93 178.35 2roh n LEU 49 N -4.49 2.81 0.00 0.26 4.77 -1.18 -5.02 117.00 114.15 2roh n LEU 49 Ca 0.12 -1.40 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 2roh n LEU 49 Cb 0.30 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2roh n LEU 49 CO 0.33 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 2roh n GLY 50 N 0.99 0.82 2.59 -0.72 0.00 0.16 -1.13 105.19 107.91 2roh n GLY 50 Ca 0.13 0.68 -0.25 0.00 0.00 0.00 0.00 46.02 46.57 2roh n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2roh n THR 51 N 0.00 2.38 0.00 2.61 -2.24 -1.26 -4.63 114.28 111.13 2roh n THR 51 Ca 0.00 -4.95 0.00 0.00 -2.27 0.00 0.00 64.05 56.83 2roh n THR 51 Cb 0.00 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 2roh n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2roh n GLY 52 N -0.38 0.46 3.85 3.38 0.00 -0.28 -5.07 105.19 107.15 2roh n GLY 52 Ca 0.35 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 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 3.38 3.78 0.28 1.61 3.00 -1.26 -4.99 118.95 124.75 2roh s ARG 53 Ca 0.00 0.25 0.10 0.00 0.00 0.00 0.00 55.73 56.08 2roh s ARG 53 Cb 0.00 -3.21 0.38 0.00 0.00 0.00 0.00 34.95 32.12 2roh s ARG 53 CO 0.00 0.72 1.63 0.11 0.00 0.00 0.00 175.30 177.75 2roh h TRP 54 N 4.76 0.05 -0.60 -0.53 5.08 -1.97 -3.14 115.95 119.59 2roh h TRP 54 Ca -0.53 -0.02 0.01 0.00 1.08 0.00 0.00 58.89 59.44 2roh h TRP 54 Cb 1.22 -0.01 -0.03 0.00 -3.00 0.00 0.00 29.16 27.34 2roh h TRP 54 CO 0.72 0.61 0.39 0.07 -1.28 0.00 0.00 178.44 178.96 2roh h ARG 55 N 0.03 0.76 0.00 0.12 -0.00 -1.94 -1.52 114.38 111.84 2roh h ARG 55 Ca -0.01 -0.05 -0.04 0.00 -0.00 0.00 0.00 59.98 59.89 2roh h ARG 55 Cb 1.04 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.97 30.84 2roh h ARG 55 CO 0.08 0.50 -0.19 0.22 -0.00 0.00 0.00 179.97 180.59 2roh h ASP 56 N 0.78 0.00 0.04 0.08 1.82 -1.97 -2.21 116.42 114.97 2roh h ASP 56 Ca 0.23 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.86 2roh h ASP 56 Cb -0.06 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.95 2roh h ASP 56 CO -0.06 0.19 -0.02 0.58 -1.61 0.00 0.00 179.24 178.31 2roh h VAL 57 N 0.00 1.22 -0.46 2.25 2.07 -1.29 0.40 116.25 120.44 2roh h VAL 57 Ca -0.00 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 2roh h VAL 57 Cb 0.39 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2roh h VAL 57 CO 0.02 0.22 0.08 0.50 0.02 0.00 0.00 177.57 178.41 2roh h LYS 58 N -0.43 0.71 -0.03 1.57 3.64 -1.29 0.54 116.57 121.29 2roh h LYS 58 Ca -0.01 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.10 2roh h LYS 58 Cb 0.40 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2roh h LYS 58 CO 0.01 0.67 -0.47 0.74 -2.27 0.00 0.00 179.45 178.13 2roh h PHE 59 N 0.69 0.52 0.00 1.91 -1.00 -1.36 -3.22 116.94 114.48 2roh h PHE 59 Ca 0.15 -0.26 -0.09 0.00 2.81 0.00 0.00 57.97 60.58 2roh h PHE 59 Cb 0.30 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 2roh h PHE 59 CO 0.01 1.06 -0.42 -0.09 -1.61 0.00 0.00 178.31 177.27 2roh h ARG 60 N -0.17 0.00 0.35 1.51 2.43 -0.05 -3.26 114.38 115.19 2roh h ARG 60 Ca -0.05 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2roh h ARG 60 Cb 1.17 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 2roh h ARG 60 CO 0.09 0.42 -0.39 0.00 -1.51 0.00 0.00 179.97 178.58 2roh h ALA 61 N 1.58 -0.82 0.00 2.80 0.00 0.06 -3.46 119.26 119.42 2roh h ALA 61 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2roh h ALA 61 Cb 0.93 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2roh h ALA 61 CO 0.05 -1.00 0.00 1.97 0.00 0.00 0.00 179.25 180.27 2roh n PHE 62 N -5.48 -1.84 -3.00 0.00 -1.74 -1.23 -4.87 117.46 99.30 2roh n PHE 62 Ca -0.10 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.62 2roh n PHE 62 Cb 0.38 0.39 -0.01 0.00 1.52 0.00 0.00 39.48 41.77 2roh n PHE 62 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 2roh n GLU 63 N -2.29 -2.88 0.00 3.97 2.13 -1.22 -4.59 120.64 115.77 2roh n GLU 63 Ca 0.00 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.25 2roh n GLU 63 Cb 0.00 -5.07 0.00 0.00 0.27 0.00 0.00 31.44 26.64 2roh n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2roh n ASN 64 N -2.03 0.00 -3.62 4.31 2.85 -1.26 -5.09 115.26 110.41 2roh n ASN 64 Ca -0.05 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.27 2roh n ASN 64 Cb 0.55 0.02 0.08 0.00 1.24 0.00 0.00 39.78 41.67 2roh n ASN 64 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 2roh n VAL 65 N -1.60 0.00 -1.59 3.44 0.24 -1.26 -4.97 118.33 112.60 2roh n VAL 65 Ca 0.00 -1.00 -0.53 0.00 -2.04 0.00 0.00 64.34 60.77 2roh n VAL 65 Cb 0.00 -1.07 -0.07 0.00 -1.47 0.00 0.00 33.84 31.24 2roh n VAL 65 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2roh n HIS 66 N -2.32 1.92 -4.05 6.34 8.25 -1.26 -4.94 115.22 119.16 2roh n HIS 66 Ca 0.10 0.30 -0.32 0.00 -0.26 0.00 0.00 57.72 57.54 2roh n HIS 66 Cb 0.38 -2.54 -0.06 0.00 1.12 0.00 0.00 29.99 28.88 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 5.35 3.32 0.00 4.41 -3.43 -1.26 -5.06 115.29 118.63 2roh s HIS 67 Ca 1.02 0.20 0.00 0.00 -0.80 0.00 0.00 55.06 55.48 2roh s HIS 67 Cb -0.90 -1.73 0.00 0.00 -1.43 0.00 0.00 32.58 28.53 2roh s HIS 67 CO 0.55 0.56 0.00 0.54 -2.00 0.00 0.00 174.74 174.39 2roh n ARG 68 N 0.91 0.00 -3.61 -0.38 5.12 -1.26 -5.13 116.66 112.31 2roh n ARG 68 Ca -0.11 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.73 2roh n ARG 68 Cb 0.52 -0.12 -0.06 0.00 -1.16 0.00 0.00 32.46 31.65 2roh n ARG 68 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2roh s THR 69 N -0.30 0.00 0.07 0.55 -4.23 -1.26 -5.00 115.64 105.46 2roh s THR 69 Ca 0.00 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.28 2roh s THR 69 Cb 0.00 -1.00 -0.09 0.00 1.34 0.00 0.00 72.50 72.75 2roh s THR 69 CO 0.00 0.00 1.36 1.88 -0.54 0.00 0.00 174.62 177.32 2roh h TYR 70 N 2.94 -1.04 -0.33 3.99 0.05 -1.97 -0.38 116.97 120.24 2roh h TYR 70 Ca -0.20 0.03 0.09 0.00 0.05 0.00 0.00 58.73 58.71 2roh h TYR 70 Cb 1.17 0.45 -0.01 0.00 1.01 0.00 0.00 36.73 39.35 2roh h TYR 70 CO 0.28 -0.38 0.25 -0.24 -1.05 0.00 0.00 178.16 177.01 2roh h VAL 71 N -0.46 0.76 -0.43 -2.88 3.04 -1.98 -1.44 116.25 112.86 2roh h VAL 71 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 2roh h VAL 71 Cb 0.48 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 30.56 2roh h VAL 71 CO -0.23 0.00 0.28 -0.78 -1.01 0.00 0.00 177.57 175.83 2roh h ASP 72 N 0.00 0.50 -0.15 3.17 3.58 -1.49 0.24 116.42 122.28 2roh h ASP 72 Ca 0.16 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 2roh h ASP 72 Cb 0.65 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 2roh h ASP 72 CO -0.00 0.38 -0.11 -0.07 -2.88 0.00 0.00 179.24 176.56 2roh h LEU 73 N 0.58 0.35 -0.08 2.28 3.38 -0.44 -0.37 115.31 121.02 2roh h LEU 73 Ca 0.16 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2roh h LEU 73 Cb -0.04 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2roh h LEU 73 CO -0.03 0.73 0.05 0.50 0.09 0.00 0.00 178.44 179.78 2roh h LYS 74 N -0.01 0.11 -0.53 1.13 1.63 -1.30 -1.68 116.57 115.91 2roh h LYS 74 Ca 0.03 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.75 2roh h LYS 74 Cb 0.61 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 2roh h LYS 74 CO 0.03 0.07 0.05 0.22 -3.45 0.00 0.00 179.45 176.37 2roh h ASP 75 N 0.11 0.82 -0.85 4.20 1.82 -0.55 -2.27 116.42 119.70 2roh h ASP 75 Ca 0.03 -0.18 0.01 0.00 -0.39 0.00 0.00 57.03 56.49 2roh h ASP 75 Cb -0.01 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 39.74 2roh h ASP 75 CO -0.01 0.85 0.56 0.50 -1.61 0.00 0.00 179.24 179.53 2roh h LYS 76 N 0.81 1.12 0.03 0.28 3.64 -0.70 -0.76 116.57 120.98 2roh h LYS 76 Ca 0.16 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2roh h LYS 76 Cb 0.41 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2roh h LYS 76 CO 0.01 0.74 -0.02 2.35 -2.27 0.00 0.00 179.45 180.27 2roh h TRP 77 N 1.15 -0.04 -0.64 1.91 7.01 -1.04 -1.48 115.95 122.82 2roh h TRP 77 Ca 0.31 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.39 2roh h TRP 77 Cb -0.13 0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 26.87 2roh h TRP 77 CO -0.01 0.33 0.30 -0.22 -2.79 0.00 0.00 178.44 176.04 2roh h LYS 78 N -0.42 0.51 0.14 2.65 3.64 -1.24 0.30 116.57 122.16 2roh h LYS 78 Ca -0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2roh h LYS 78 Cb 0.39 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2roh h LYS 78 CO 0.01 0.34 -0.07 1.15 -2.27 0.00 0.00 179.45 178.61 2roh h THR 79 N 0.53 0.94 -0.31 1.00 2.02 -1.12 -2.19 112.91 113.78 2roh h THR 79 Ca 0.31 -0.37 0.06 0.00 0.77 0.00 0.00 66.41 67.18 2roh h THR 79 Cb 0.32 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2roh h THR 79 CO -0.26 0.09 0.21 0.17 0.37 0.00 0.00 175.52 176.11 2roh h LEU 80 N -0.37 0.11 -0.17 2.58 8.10 -0.87 -1.78 115.31 122.91 2roh h LEU 80 Ca -0.02 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.92 2roh h LEU 80 Cb 0.29 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 40.49 2roh h LEU 80 CO 0.03 0.07 -0.08 0.58 -4.11 0.00 0.00 178.44 174.94 2roh h VAL 81 N 0.13 1.31 -0.85 0.15 2.07 -0.63 -0.50 116.25 117.94 2roh h VAL 81 Ca 0.14 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 2roh h VAL 81 Cb 0.39 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 2roh h VAL 81 CO -0.02 0.34 0.42 -0.74 0.02 0.00 0.00 177.57 177.59 2roh h HIS 82 N 0.04 1.21 0.00 1.57 -0.00 -0.74 0.79 115.15 118.02 2roh h HIS 82 Ca 0.04 -0.05 -0.12 0.00 -0.00 0.00 0.00 60.37 60.23 2roh h HIS 82 Cb 0.56 -0.38 -0.02 0.00 -0.00 0.00 0.00 27.41 27.57 2roh h HIS 82 CO 0.06 0.86 -0.59 1.15 -0.00 0.00 0.00 177.93 179.42 2roh h THR 83 N 1.20 1.36 -0.01 6.26 2.02 -1.32 -0.09 112.91 122.34 2roh h THR 83 Ca 0.29 -2.06 0.00 0.00 0.77 0.00 0.00 66.41 65.42 2roh h THR 83 Cb 0.09 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 2roh h THR 83 CO -0.04 0.58 -0.22 0.00 0.37 0.00 0.00 175.52 176.21 2roh n ALA 84 N -2.40 2.99 -0.07 6.16 0.00 -0.20 -3.93 120.51 123.05 2roh n ALA 84 Ca -0.01 -0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.00 2roh n ALA 84 Cb 0.61 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.82 1.88 -4.16 0.00 3.41 0.22 -5.00 113.62 109.16 2roh n SER 85 Ca 0.12 -0.02 -0.31 0.00 -0.26 0.00 0.00 58.87 58.40 2roh n SER 85 Cb 0.32 0.55 0.17 0.00 -0.26 0.00 0.00 64.21 64.99 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 -2.64 0.00 -1.00 -1.33 -5.35 -0.07 -4.91 119.36 104.05 2roh n ILE 86 Ca -0.25 -0.26 -0.33 0.00 -0.27 0.00 0.00 62.75 61.65 2roh n ILE 86 Cb 0.92 -0.59 0.14 0.00 -1.74 0.00 0.00 39.64 38.37 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 -2.20 1.74 0.31 -1.28 0.00 -1.26 -4.87 121.76 114.20 2roh s ALA 87 Ca 0.53 0.75 0.10 0.00 0.00 0.00 0.00 51.96 53.35 2roh s ALA 87 Cb -0.10 -3.47 0.51 0.00 0.00 0.00 0.00 23.12 20.06 2roh s ALA 87 CO 0.62 -2.41 1.71 -1.00 0.00 0.00 0.00 175.76 174.68 2roh h PRO 88 N -1.19 0.06 -0.43 0.00 0.13 -1.97 -2.95 132.00 125.64 2roh h PRO 88 Ca -0.45 -0.03 0.13 0.00 -0.87 0.00 0.00 66.00 64.77 2roh h PRO 88 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 2roh h PRO 88 CO 0.45 0.53 0.40 -0.56 -0.23 0.00 0.00 178.00 178.59 2roh h GLN 89 N 0.05 0.00 0.00 0.86 3.07 -2.02 -3.11 115.11 113.95 2roh h GLN 89 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2roh h GLN 89 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.43 2roh h GLN 89 CO 0.07 0.00 -0.20 1.04 0.09 0.00 0.00 178.83 179.82 2roh n GLN 90 N -3.93 0.16 -3.06 0.06 1.13 -1.12 -4.95 117.38 105.68 2roh n GLN 90 Ca 0.08 0.32 -0.18 0.00 -1.94 0.00 0.00 57.00 55.27 2roh n GLN 90 Cb 0.59 -1.06 -0.01 0.00 0.11 0.00 0.00 30.24 29.88 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 -3.11 -2.90 -1.41 -1.09 1.74 -1.18 -4.79 116.66 103.93 2roh n ARG 91 Ca -0.03 0.42 -0.41 0.00 -0.77 0.00 0.00 57.85 57.07 2roh n ARG 91 Cb 0.10 -5.06 -0.02 0.00 -1.02 0.00 0.00 32.46 26.46 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 -3.32 2.41 -1.49 5.56 0.63 -1.26 -4.82 116.66 114.36 2roh n ARG 92 Ca -0.04 -2.21 0.00 0.00 -0.92 0.00 0.00 57.85 54.68 2roh n ARG 92 Cb 0.55 -3.04 0.00 0.00 0.45 0.00 0.00 32.46 30.41 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 4.17 4.51 3.92 5.14 0.00 -1.26 -4.23 105.19 117.44 2roh n GLY 93 Ca 0.53 -1.72 -0.26 0.00 0.00 0.00 0.00 46.02 44.57 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 3.54 -1.09 4.61 0.00 -1.26 -4.97 121.76 120.59 2roh s ALA 94 Ca 0.00 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 51.02 2roh s ALA 94 Cb 0.00 -2.36 -0.11 0.00 0.00 0.00 0.00 23.12 20.65 2roh s ALA 94 CO 0.00 -0.23 1.93 -0.35 0.00 0.00 0.00 175.76 177.10 2roh n PRO 95 N -2.06 1.56 -4.40 0.00 -0.04 -1.26 -4.90 135.00 123.90 2roh n PRO 95 Ca -0.01 -2.33 -0.24 0.00 -0.04 0.00 0.00 63.50 60.88 2roh n PRO 95 Cb 0.56 -3.55 -0.11 0.00 -0.04 0.00 0.00 33.50 30.35 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 9.78 2.17 0.54 0.52 -7.23 -1.26 -5.00 120.40 119.92 2roh s VAL 96 Ca 0.66 -2.08 -0.20 0.00 -1.81 0.00 0.00 61.98 58.56 2roh s VAL 96 Cb 0.03 -2.06 -0.06 0.00 0.56 0.00 0.00 36.38 34.84 2roh s VAL 96 CO 0.14 -0.26 1.13 -2.16 -0.31 0.00 0.00 175.10 173.64 2roh s PRO 97 N -2.93 3.39 0.50 4.82 0.04 -1.26 -4.92 135.00 134.65 2roh s PRO 97 Ca 0.21 1.63 0.22 0.00 0.04 0.00 0.00 61.00 63.10 2roh s PRO 97 Cb -0.06 -2.04 1.30 0.00 0.04 0.00 0.00 34.50 33.73 2roh s PRO 97 CO 0.10 -0.82 1.98 1.96 0.04 0.00 0.00 177.00 180.26 2roh h GLN 98 N 1.28 0.11 -0.98 4.56 4.20 -2.00 -0.65 115.11 121.63 2roh h GLN 98 Ca -0.50 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.33 2roh h GLN 98 Cb 1.26 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.93 2roh h GLN 98 CO 0.57 0.07 0.62 1.05 -0.67 0.00 0.00 178.83 180.47 2roh h GLU 99 N 0.11 0.90 -0.57 1.46 4.11 -1.98 0.30 114.58 118.90 2roh h GLU 99 Ca 0.27 -0.05 -0.09 0.00 0.07 0.00 0.00 59.36 59.56 2roh h GLU 99 Cb 0.92 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2roh h GLU 99 CO -0.03 0.59 -0.01 -0.07 0.07 0.00 0.00 179.01 179.57 2roh h LEU 100 N 0.92 0.97 -0.49 3.06 -0.00 -1.48 -1.28 115.31 117.01 2roh h LEU 100 Ca 0.49 -0.27 -0.11 0.00 -0.00 0.00 0.00 57.88 58.00 2roh h LEU 100 Cb 0.56 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.94 2roh h LEU 100 CO -0.26 1.03 -0.51 -0.07 -0.00 0.00 0.00 178.44 178.63 2roh h LEU 101 N 0.91 0.00 -0.21 1.67 -0.00 -1.15 -2.24 115.31 114.30 2roh h LEU 101 Ca 0.16 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.83 2roh h LEU 101 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2roh h LEU 101 CO 0.03 0.51 -0.91 -0.78 -0.00 0.00 0.00 178.44 177.30 2roh h ASP 102 N 0.00 0.53 0.01 -0.43 1.82 -0.16 -1.64 116.42 116.55 2roh h ASP 102 Ca -0.01 -0.41 -0.19 0.00 -0.39 0.00 0.00 57.03 56.03 2roh h ASP 102 Cb 1.18 -0.16 0.02 0.00 0.68 0.00 0.00 39.33 41.05 2roh h ASP 102 CO 0.07 1.20 -0.77 0.08 -1.61 0.00 0.00 179.24 178.21 2roh h ARG 103 N 0.24 0.50 -0.45 0.28 0.11 -1.22 -1.55 114.38 112.28 2roh h ARG 103 Ca -0.07 -0.55 -0.13 0.00 0.10 0.00 0.00 59.98 59.33 2roh h ARG 103 Cb 1.53 0.16 -0.01 0.00 1.11 0.00 0.00 29.97 32.76 2roh h ARG 103 CO 0.16 1.19 -0.23 -0.39 0.10 0.00 0.00 179.97 180.79 2roh h VAL 104 N 0.04 1.27 0.11 0.08 -1.51 -1.48 -1.62 116.25 113.14 2roh h VAL 104 Ca -0.10 -1.39 -0.01 0.00 -1.23 0.00 0.00 66.70 63.97 2roh h VAL 104 Cb 1.47 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 2roh h VAL 104 CO 0.15 0.48 -0.05 -0.07 -1.23 0.00 0.00 177.57 176.84 2roh h LEU 105 N 0.81 -0.13 -0.70 4.19 3.38 -1.37 -1.63 115.31 119.85 2roh h LEU 105 Ca 0.10 -0.40 0.08 0.00 0.09 0.00 0.00 57.88 57.75 2roh h LEU 105 Cb 0.80 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 2roh h LEU 105 CO 0.07 0.38 0.37 0.00 0.09 0.00 0.00 178.44 179.34 2roh h ALA 106 N 0.07 0.96 -0.36 1.53 0.00 -1.32 -1.88 119.26 118.27 2roh h ALA 106 Ca -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2roh h ALA 106 Cb 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2roh h ALA 106 CO 0.03 -0.01 0.06 0.00 0.00 0.00 0.00 179.25 179.32 2roh h ALA 107 N 1.41 0.48 -0.60 0.00 0.00 -1.34 -0.25 119.26 118.96 2roh h ALA 107 Ca 0.34 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.13 2roh h ALA 107 Cb 0.31 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 2roh h ALA 107 CO -0.24 0.18 0.22 0.37 0.00 0.00 0.00 179.25 179.78 2roh h GLN 108 N 0.44 0.39 0.00 0.00 -0.00 -0.64 0.12 115.11 115.41 2roh h GLN 108 Ca 0.11 -0.02 -0.13 0.00 -0.00 0.00 0.00 58.65 58.60 2roh h GLN 108 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 2roh h GLN 108 CO 0.01 0.26 -0.64 0.00 0.00 0.00 0.00 178.83 178.46 2roh h ALA 109 N 1.41 0.84 -0.31 3.38 0.00 -1.25 -1.99 119.26 121.34 2roh h ALA 109 Ca 0.30 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 2roh h ALA 109 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2roh h ALA 109 CO -0.30 0.80 -0.17 -0.92 0.00 0.00 0.00 179.25 178.66 2roh h TYR 110 N 0.00 0.77 0.00 0.00 3.20 0.40 -2.99 116.97 118.36 2roh h TYR 110 Ca -0.01 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.67 2roh h TYR 110 Cb 1.21 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.30 2roh h TYR 110 CO 0.00 0.90 0.00 -1.49 -1.64 0.00 0.00 178.16 175.93 2roh h TRP 111 N 0.42 0.00 -3.13 -3.82 -0.00 -0.84 -3.43 115.95 105.14 2roh h TRP 111 Ca 0.07 0.00 -0.57 0.00 -0.00 0.00 0.00 58.89 58.39 2roh h TRP 111 Cb 0.70 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 29.82 2roh h TRP 111 CO 0.06 0.00 1.11 0.45 -0.00 0.00 0.00 178.44 180.06 2roh s SER 112 N -5.81 6.27 -0.01 -3.49 0.15 -0.75 -4.86 113.70 105.20 2roh s SER 112 Ca 0.07 0.98 -0.01 0.00 0.70 0.00 0.00 55.95 57.69 2roh s SER 112 Cb 0.07 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2roh s SER 112 CO 0.64 -1.46 -0.02 0.52 1.20 0.00 0.00 173.24 174.13 2roh n VAL 113 N 7.06 0.10 -4.55 4.45 0.31 -1.26 -4.93 118.33 119.51 2roh n VAL 113 Ca 0.18 0.39 -0.27 0.00 -0.01 0.00 0.00 64.34 64.63 2roh n VAL 113 Cb 0.47 -1.46 -0.14 0.00 -0.91 0.00 0.00 33.84 31.81 2roh n VAL 113 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2roh s ASP 114 N -4.32 2.78 -1.02 4.52 2.15 -1.26 -5.06 116.67 114.45 2roh s ASP 114 Ca -0.02 -0.62 -0.24 0.00 0.43 0.00 0.00 52.55 52.11 2roh s ASP 114 Cb 0.00 -0.21 -0.06 0.00 -0.30 0.00 0.00 42.92 42.36 2roh s ASP 114 CO 0.02 0.16 1.92 -0.55 -0.17 0.00 0.00 175.17 176.55 2roh s SER 115 N -1.55 5.20 0.38 -0.34 0.15 -1.26 -4.93 113.70 111.35 2roh s SER 115 Ca 0.09 -1.13 0.07 0.00 0.70 0.00 0.00 55.95 55.68 2roh s SER 115 Cb -0.10 -2.57 -0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2roh s SER 115 CO 0.03 -2.78 0.53 -0.55 1.20 0.00 0.00 173.24 171.67 2roh s SER 116 N 7.23 5.83 0.00 5.45 0.15 -1.26 -5.04 113.70 126.06 2roh s SER 116 Ca 0.68 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.08 2roh s SER 116 Cb -0.04 -1.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 2roh s SER 116 CO 0.04 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.50 2roh n GLY 117 N -1.76 2.31 1.37 9.45 0.00 -1.26 -5.11 105.19 110.18 2roh n GLY 117 Ca 0.03 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 2roh n GLY 117 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2roh n ARG 118 N 1.70 1.05 -1.39 1.61 1.85 -1.26 -5.00 116.66 115.22 2roh n ARG 118 Ca 0.00 -1.17 -0.24 0.00 -1.00 0.00 0.00 57.85 55.44 2roh n ARG 118 Cb 0.00 0.03 -0.06 0.00 -1.05 0.00 0.00 32.46 31.38 2roh n ARG 118 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 2roh n ILE 119 N -1.18 3.24 -1.46 8.89 -5.35 -1.26 -4.99 119.36 117.25 2roh n ILE 119 Ca 0.02 -2.72 -0.37 0.00 -0.27 0.00 0.00 62.75 59.41 2roh n ILE 119 Cb 0.22 -1.62 0.05 0.00 -1.74 0.00 0.00 39.64 36.55 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 1.02 2.65 -0.08 7.28 0.24 -1.26 -4.95 118.33 123.23 2roh n VAL 120 Ca 0.47 -0.47 -0.11 0.00 -2.04 0.00 0.00 64.34 62.18 2roh n VAL 120 Cb 0.60 -0.85 -0.07 0.00 -1.47 0.00 0.00 33.84 32.05 2roh n VAL 120 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2roh n THR 121 N -1.91 0.91 -0.68 3.34 -1.04 -1.26 -5.30 114.28 108.34 2roh n THR 121 Ca 0.12 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 2roh n THR 121 Cb 0.48 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 2roh n THR 121 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32