#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 4.09 -4.77 1.61 2.88 -1.26 -5.08 113.62 111.09 2roh n SER 2 Ca 0.00 -3.42 -0.32 0.00 -1.33 0.00 0.00 58.87 53.79 2roh n SER 2 Cb 0.00 -0.76 0.06 0.00 -0.75 0.00 0.00 64.21 62.75 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 -2.43 2.65 -0.19 -1.46 0.04 -1.26 -5.07 135.00 127.29 2roh s PRO 3 Ca 0.37 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 2roh s PRO 3 Cb 0.12 -1.94 0.14 0.00 0.04 0.00 0.00 34.50 32.86 2roh s PRO 3 CO -0.01 -1.36 1.05 0.12 0.04 0.00 0.00 177.00 176.85 2roh s PHE 4 N -2.50 -0.33 -0.09 0.56 5.36 -1.26 -5.15 117.98 114.58 2roh s PHE 4 Ca 0.65 0.59 -0.23 0.00 -0.96 0.00 0.00 56.93 56.98 2roh s PHE 4 Cb -0.20 0.45 -0.03 0.00 -0.34 0.00 0.00 43.02 42.90 2roh s PHE 4 CO 0.46 -0.29 0.70 0.00 -1.46 0.00 0.00 175.22 174.63 2roh s ALA 5 N -0.99 3.37 0.34 11.12 0.00 -1.26 -5.07 121.76 129.28 2roh s ALA 5 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.06 2roh s ALA 5 Cb -0.01 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 2roh s ALA 5 CO -0.00 -0.19 0.54 -0.51 0.00 0.00 0.00 175.76 175.59 2roh s ASP 6 N 0.86 6.25 -0.01 0.00 1.01 -1.26 -5.05 116.67 118.47 2roh s ASP 6 Ca 0.37 0.37 -0.30 0.00 0.71 0.00 0.00 52.55 53.70 2roh s ASP 6 Cb -0.17 -1.94 -0.06 0.00 1.01 0.00 0.00 42.92 41.76 2roh s ASP 6 CO 0.17 -0.31 1.45 -2.16 0.21 0.00 0.00 175.17 174.53 2roh s PRO 7 N -4.30 4.26 0.30 8.23 0.04 -1.26 -4.92 135.00 137.36 2roh s PRO 7 Ca 0.40 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.49 2roh s PRO 7 Cb -0.10 -3.63 0.49 0.00 0.04 0.00 0.00 34.50 31.30 2roh s PRO 7 CO 0.35 -0.63 1.79 -2.95 0.04 0.00 0.00 177.00 175.60 2roh h ASN 8 N 8.10 0.52 -2.68 6.66 7.08 -2.06 -3.46 115.58 129.74 2roh h ASN 8 Ca -0.38 -0.13 -0.35 0.00 -3.08 0.00 0.00 56.30 52.36 2roh h ASN 8 Cb 1.18 -0.14 -0.05 0.00 -2.08 0.00 0.00 38.32 37.22 2roh h ASN 8 CO 0.92 0.67 -0.41 -0.24 -2.08 0.00 0.00 177.43 176.28 2roh n SER 9 N -4.20 -4.94 -4.56 6.14 2.88 -1.26 -4.85 113.62 102.82 2roh n SER 9 Ca 0.01 0.18 -0.32 0.00 -1.33 0.00 0.00 58.87 57.41 2roh n SER 9 Cb 0.32 -4.23 -0.04 0.00 -0.75 0.00 0.00 64.21 59.51 2roh n SER 9 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2roh s LEU 10 N -5.39 3.23 -0.30 2.46 1.98 -1.26 -4.84 118.68 114.55 2roh s LEU 10 Ca 0.00 -0.37 -0.15 0.00 -2.89 0.00 0.00 54.13 50.72 2roh s LEU 10 Cb 0.00 -2.55 0.16 0.00 0.66 0.00 0.00 46.19 44.46 2roh s LEU 10 CO 0.00 -2.52 1.00 0.00 -1.89 0.00 0.00 176.35 172.93 2roh s ALA 11 N 9.32 -2.62 -0.07 5.97 0.00 -1.26 -5.15 121.76 127.95 2roh s ALA 11 Ca 0.67 2.08 -0.03 0.00 0.00 0.00 0.00 51.96 54.68 2roh s ALA 11 Cb -0.08 -1.98 0.04 0.00 0.00 0.00 0.00 23.12 21.09 2roh s ALA 11 CO 0.07 -0.80 0.06 -0.48 0.00 0.00 0.00 175.76 174.60 2roh s LEU 12 N 2.17 0.22 0.08 0.00 2.34 -1.26 -5.15 118.68 117.07 2roh s LEU 12 Ca -0.04 -0.08 0.08 0.00 0.06 0.00 0.00 54.13 54.15 2roh s LEU 12 Cb -0.05 -0.18 -0.03 0.00 -0.56 0.00 0.00 46.19 45.36 2roh s LEU 12 CO -0.17 -0.27 -0.21 0.00 -1.06 0.00 0.00 176.35 174.64 2roh s ALA 13 N 2.15 1.81 0.28 1.48 0.00 -1.26 -5.12 121.76 121.10 2roh s ALA 13 Ca 0.04 -1.18 -0.29 0.00 0.00 0.00 0.00 51.96 50.53 2roh s ALA 13 Cb -0.13 -0.29 -0.10 0.00 0.00 0.00 0.00 23.12 22.60 2roh s ALA 13 CO -0.04 0.38 1.28 -0.80 0.00 0.00 0.00 175.76 176.58 2roh s ASN 14 N -1.61 6.88 0.18 0.00 -0.87 -1.26 -5.03 114.94 113.23 2roh s ASN 14 Ca 0.07 2.54 0.08 0.00 -1.57 0.00 0.00 52.86 53.98 2roh s ASN 14 Cb -0.09 -2.63 -0.04 0.00 -0.02 0.00 0.00 41.25 38.46 2roh s ASN 14 CO 0.03 -0.48 -0.03 0.68 -2.57 0.00 0.00 177.10 174.74 2roh s VAL 15 N -0.73 3.57 -1.15 1.60 -7.23 -1.26 -5.04 120.40 110.16 2roh s VAL 15 Ca 0.51 -1.51 -0.23 0.00 -1.81 0.00 0.00 61.98 58.94 2roh s VAL 15 Cb -0.38 -2.79 -0.08 0.00 0.56 0.00 0.00 36.38 33.69 2roh s VAL 15 CO 0.46 -0.12 1.94 -2.16 -0.31 0.00 0.00 175.10 174.91 2roh s PRO 16 N -2.95 2.50 -0.44 4.82 0.04 -1.26 -4.82 135.00 132.89 2roh s PRO 16 Ca 0.27 -1.08 0.02 0.00 0.04 0.00 0.00 61.00 60.25 2roh s PRO 16 Cb -0.09 -5.22 0.14 0.00 0.04 0.00 0.00 34.50 29.37 2roh s PRO 16 CO 0.18 -3.92 0.26 -1.17 0.04 0.00 0.00 177.00 172.39 2roh s LEU 17 N 10.92 2.43 0.00 -3.56 2.96 -1.26 -5.00 118.68 125.17 2roh s LEU 17 Ca 0.69 -2.66 0.00 0.00 -0.22 0.00 0.00 54.13 51.93 2roh s LEU 17 Cb -0.01 -0.91 0.00 0.00 0.50 0.00 0.00 46.19 45.76 2roh s LEU 17 CO 0.12 -0.25 0.00 -1.20 -1.32 0.00 0.00 176.35 173.69 2roh n SER 18 N 3.47 0.00 -4.73 3.68 7.64 -1.26 -5.06 113.62 117.35 2roh n SER 18 Ca 0.12 0.03 -0.25 0.00 1.01 0.00 0.00 58.87 59.78 2roh n SER 18 Cb 0.36 -0.14 -0.08 0.00 -1.01 0.00 0.00 64.21 63.34 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 -0.28 2.21 -0.30 1.43 1.04 -1.26 -5.14 118.95 116.64 2roh s ARG 19 Ca 0.00 -1.87 -0.13 0.00 -1.04 0.00 0.00 55.73 52.68 2roh s ARG 19 Cb 0.00 -1.95 0.14 0.00 -2.04 0.00 0.00 34.95 31.10 2roh s ARG 19 CO 0.00 -0.12 0.83 -1.12 -0.04 0.00 0.00 175.30 174.85 2roh s SER 20 N -3.89 -0.81 0.00 -2.89 0.01 -1.26 -5.10 113.70 99.76 2roh s SER 20 Ca 0.40 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.82 2roh s SER 20 Cb 0.04 1.79 0.00 0.00 0.21 0.00 0.00 66.02 68.06 2roh s SER 20 CO 0.22 -0.17 0.00 0.29 0.41 0.00 0.00 173.24 173.99 2roh n LYS 21 N 4.88 0.00 -2.66 12.44 5.02 -1.26 -5.02 118.16 131.56 2roh n LYS 21 Ca -0.13 0.16 -0.04 0.00 -2.02 0.00 0.00 58.31 56.28 2roh n LYS 21 Cb 0.53 -0.57 0.06 0.00 -0.02 0.00 0.00 35.03 35.03 2roh n LYS 21 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2roh n ARG 22 N -1.77 0.08 -2.05 1.97 1.85 -1.26 -5.10 116.66 110.38 2roh n ARG 22 Ca 0.00 -0.66 -0.28 0.00 -1.00 0.00 0.00 57.85 55.92 2roh n ARG 22 Cb 0.00 -0.01 -0.05 0.00 -1.05 0.00 0.00 32.46 31.35 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 0.42 2.56 -0.25 2.89 0.04 -1.26 -4.88 135.00 134.52 2roh s PRO 23 Ca 0.25 -0.23 -0.16 0.00 0.04 0.00 0.00 61.00 60.90 2roh s PRO 23 Cb 0.18 -5.02 0.07 0.00 0.04 0.00 0.00 34.50 29.78 2roh s PRO 23 CO -0.09 -3.33 0.62 0.16 0.04 0.00 0.00 177.00 174.40 2roh s ASP 24 N 8.03 -0.80 -0.21 6.66 -4.77 -1.26 -5.07 116.67 119.25 2roh s ASP 24 Ca 0.70 1.34 -0.17 0.00 -3.30 0.00 0.00 52.55 51.12 2roh s ASP 24 Cb -0.07 1.25 -0.12 0.00 -1.09 0.00 0.00 42.92 42.88 2roh s ASP 24 CO 0.01 -0.23 -0.08 0.33 0.70 0.00 0.00 175.17 175.90 2roh n PHE 25 N 3.96 0.63 0.00 2.11 -0.00 -1.26 -5.05 117.46 117.85 2roh n PHE 25 Ca -0.19 0.27 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 2roh n PHE 25 Cb 0.57 -0.93 0.00 0.00 -0.00 0.00 0.00 39.48 39.12 2roh n PHE 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2roh n GLY 26 N 1.43 -0.19 4.01 7.13 0.00 -1.26 -5.17 105.19 111.13 2roh n GLY 26 Ca -0.30 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 2roh n GLY 26 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2roh s GLN 27 N 0.00 1.70 0.26 1.61 1.11 -1.26 -5.12 119.66 117.96 2roh s GLN 27 Ca 0.00 -1.37 0.07 0.00 0.01 0.00 0.00 55.36 54.07 2roh s GLN 27 Cb 0.00 -2.40 -0.04 0.00 -1.01 0.00 0.00 33.01 29.56 2roh s GLN 27 CO 0.00 -1.41 0.20 -0.98 0.01 0.00 0.00 175.29 173.11 2roh s ARG 28 N -5.06 2.90 0.21 2.91 3.03 -1.26 -5.06 118.95 116.60 2roh s ARG 28 Ca 0.67 -1.08 -0.32 0.00 2.03 0.00 0.00 55.73 57.02 2roh s ARG 28 Cb -0.04 -2.55 -0.12 0.00 -1.03 0.00 0.00 34.95 31.21 2roh s ARG 28 CO 0.44 0.37 1.71 2.89 -1.13 0.00 0.00 175.30 179.57 2roh n ARG 29 N -1.19 2.71 -2.89 3.89 1.85 -1.26 -4.93 116.66 114.84 2roh n ARG 29 Ca -0.07 0.98 -0.43 0.00 -1.00 0.00 0.00 57.85 57.33 2roh n ARG 29 Cb 0.58 -2.81 -0.05 0.00 -1.05 0.00 0.00 32.46 29.13 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 1.12 4.49 -1.43 8.89 -1.09 -1.26 -4.95 121.20 126.97 2roh s ILE 30 Ca 0.75 0.28 -0.13 0.00 -2.23 0.00 0.00 60.65 59.32 2roh s ILE 30 Cb -0.52 -4.47 -0.01 0.00 -1.58 0.00 0.00 42.46 35.88 2roh s ILE 30 CO 0.33 -0.98 2.39 0.54 -1.23 0.00 0.00 174.94 175.98 2roh n ARG 31 N 7.17 2.93 -4.34 2.79 1.74 -1.26 -4.90 116.66 120.79 2roh n ARG 31 Ca 0.01 -2.40 -0.23 0.00 -0.77 0.00 0.00 57.85 54.46 2roh n ARG 31 Cb 0.47 -3.11 -0.08 0.00 -1.02 0.00 0.00 32.46 28.73 2roh n ARG 31 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2roh s ARG 32 N 3.09 2.12 0.88 5.56 1.81 -1.26 -5.13 118.95 126.02 2roh s ARG 32 Ca 0.53 -1.50 -0.11 0.00 -1.72 0.00 0.00 55.73 52.93 2roh s ARG 32 Cb 0.15 -2.06 0.12 0.00 -0.45 0.00 0.00 34.95 32.71 2roh s ARG 32 CO -0.06 0.36 1.09 -1.25 -0.68 0.00 0.00 175.30 174.76 2roh s PRO 33 N -3.58 1.37 0.33 3.54 0.04 -1.26 -5.08 135.00 130.36 2roh s PRO 33 Ca 0.31 0.86 0.09 0.00 0.04 0.00 0.00 61.00 62.30 2roh s PRO 33 Cb -0.06 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2roh s PRO 33 CO 0.18 -2.17 -0.03 -0.59 0.04 0.00 0.00 177.00 174.43 2roh s PHE 34 N -2.93 2.51 0.24 0.56 -0.12 -1.26 -5.15 117.98 111.83 2roh s PHE 34 Ca 0.63 -0.41 0.08 0.00 -0.05 0.00 0.00 56.93 57.18 2roh s PHE 34 Cb -0.18 -1.38 -0.04 0.00 -0.63 0.00 0.00 43.02 40.79 2roh s PHE 34 CO 0.57 0.54 0.07 0.99 -0.05 0.00 0.00 175.22 177.34 2roh s THR 35 N -2.51 3.89 0.42 -4.49 2.01 -1.26 -4.95 115.64 108.75 2roh s THR 35 Ca 0.34 -1.63 0.19 0.00 0.31 0.00 0.00 61.69 60.90 2roh s THR 35 Cb -0.01 -3.07 0.40 0.00 0.01 0.00 0.00 72.50 69.83 2roh s THR 35 CO 0.18 -0.32 1.83 1.62 -0.69 0.00 0.00 174.62 177.24 2roh h VAL 36 N 1.83 0.61 -0.03 3.82 3.04 -1.98 0.18 116.25 123.72 2roh h VAL 36 Ca -0.46 -0.13 -0.02 0.00 -1.01 0.00 0.00 66.70 65.08 2roh h VAL 36 Cb 1.24 0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.72 2roh h VAL 36 CO 0.60 0.07 -0.05 0.00 -1.01 0.00 0.00 177.57 177.18 2roh h ALA 37 N 1.60 0.05 -0.10 3.17 0.00 -1.98 -0.89 119.26 121.10 2roh h ALA 37 Ca 0.51 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2roh h ALA 37 Cb 1.36 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2roh h ALA 37 CO -0.20 -0.15 0.05 0.93 0.00 0.00 0.00 179.25 179.88 2roh h GLU 38 N -0.41 0.14 -0.65 0.00 5.08 -1.57 -1.82 114.58 115.35 2roh h GLU 38 Ca 0.00 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2roh h GLU 38 Cb 0.58 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2roh h GLU 38 CO 0.01 0.20 0.26 0.28 -1.00 0.00 0.00 179.01 178.76 2roh h VAL 39 N 0.05 1.23 0.18 3.13 2.07 -0.79 0.09 116.25 122.21 2roh h VAL 39 Ca 0.03 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2roh h VAL 39 Cb 0.10 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2roh h VAL 39 CO -0.00 0.28 -0.09 -0.33 0.02 0.00 0.00 177.57 177.45 2roh h GLU 40 N 0.94 -0.23 -0.56 1.57 4.39 -0.90 -1.94 114.58 117.84 2roh h GLU 40 Ca 0.22 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.84 2roh h GLU 40 Cb 0.18 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 2roh h GLU 40 CO -0.02 -0.12 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.63 2roh h LEU 41 N -0.29 0.96 0.30 1.33 3.38 -1.19 -1.08 115.31 118.72 2roh h LEU 41 Ca -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2roh h LEU 41 Cb 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2roh h LEU 41 CO 0.04 1.02 -0.32 0.25 0.09 0.00 0.00 178.44 179.52 2roh h LEU 42 N 0.90 -0.89 -0.85 1.67 5.85 -0.80 0.18 115.31 121.37 2roh h LEU 42 Ca 0.16 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.97 2roh h LEU 42 Cb 0.54 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 2roh h LEU 42 CO 0.03 -0.42 0.56 -0.37 -0.34 0.00 0.00 178.44 177.90 2roh h VAL 43 N -0.62 1.20 0.00 1.05 -1.51 -1.39 -1.12 116.25 113.85 2roh h VAL 43 Ca -0.04 -0.39 -0.01 0.00 -1.23 0.00 0.00 66.70 65.04 2roh h VAL 43 Cb 0.55 -0.03 -0.00 0.00 -2.13 0.00 0.00 31.29 29.67 2roh h VAL 43 CO -0.05 0.21 -0.03 -0.08 -1.23 0.00 0.00 177.57 176.38 2roh h GLU 44 N 1.13 0.00 -0.00 5.19 4.81 -0.96 0.33 114.58 125.08 2roh h GLU 44 Ca 0.32 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 2roh h GLU 44 Cb -0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2roh h GLU 44 CO -0.08 0.03 -0.08 0.00 -0.73 0.00 0.00 179.01 178.15 2roh h ALA 45 N 1.97 0.01 -0.05 2.92 0.00 0.65 -2.20 119.26 122.55 2roh h ALA 45 Ca -0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 2roh h ALA 45 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2roh h ALA 45 CO 0.00 -0.05 -0.67 -0.24 0.00 0.00 0.00 179.25 178.30 2roh h VAL 46 N -0.68 1.41 -0.06 0.00 3.04 -1.09 -3.01 116.25 115.86 2roh h VAL 46 Ca -0.01 -2.13 -0.14 0.00 -1.01 0.00 0.00 66.70 63.42 2roh h VAL 46 Cb 0.85 2.11 -0.01 0.00 -2.01 0.00 0.00 31.29 32.22 2roh h VAL 46 CO 0.02 0.63 -0.57 1.05 -1.01 0.00 0.00 177.57 177.68 2roh h GLU 47 N 0.16 0.19 0.00 4.17 4.11 -0.45 0.54 114.58 123.30 2roh h GLU 47 Ca -0.01 -0.12 -0.09 0.00 0.07 0.00 0.00 59.36 59.21 2roh h GLU 47 Cb 1.20 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2roh h GLU 47 CO 0.10 0.71 -0.42 1.25 0.07 0.00 0.00 179.01 180.72 2roh h HIS 48 N 0.14 0.00 -0.01 2.06 2.76 -1.31 -3.01 115.15 115.77 2roh h HIS 48 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2roh h HIS 48 Cb 1.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.01 2roh h HIS 48 CO 0.02 0.42 -0.31 1.28 -1.30 0.00 0.00 177.93 178.04 2roh n LEU 49 N -3.66 1.57 0.00 0.26 4.77 -1.11 -5.06 117.00 113.77 2roh n LEU 49 Ca -0.01 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 2roh n LEU 49 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2roh n LEU 49 CO 0.38 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2roh n GLY 50 N 1.10 3.89 1.45 -0.72 0.00 0.19 -1.68 105.19 109.42 2roh n GLY 50 Ca 0.06 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 2.70 0.00 2.61 -2.24 -1.26 -4.66 114.28 111.42 2roh n THR 51 Ca 0.00 -2.91 0.00 0.00 -2.27 0.00 0.00 64.05 58.87 2roh n THR 51 Cb 0.00 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.06 -2.41 3.13 3.38 0.00 -0.68 -4.98 105.19 102.57 2roh n GLY 52 Ca 0.39 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.03 0.51 0.27 1.61 1.81 -1.26 -5.05 118.95 116.80 2roh s ARG 53 Ca 0.00 -0.35 -0.02 0.00 -1.72 0.00 0.00 55.73 53.64 2roh s ARG 53 Cb 0.00 0.21 0.36 0.00 -0.45 0.00 0.00 34.95 35.07 2roh s ARG 53 CO 0.00 -0.12 1.82 -1.49 -0.68 0.00 0.00 175.30 174.83 2roh h TRP 54 N 4.26 0.93 0.00 -0.53 6.55 -1.93 -2.14 115.95 123.08 2roh h TRP 54 Ca -0.30 -0.08 -0.07 0.00 0.95 0.00 0.00 58.89 59.39 2roh h TRP 54 Cb 1.19 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 29.21 2roh h TRP 54 CO 0.58 0.75 -0.33 0.07 -1.05 0.00 0.00 178.44 178.46 2roh h ARG 55 N 0.87 0.00 -0.10 0.49 0.11 -1.96 -1.59 114.38 112.20 2roh h ARG 55 Ca 0.20 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.24 2roh h ARG 55 Cb 0.27 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.34 2roh h ARG 55 CO -0.01 0.33 -0.07 0.22 0.10 0.00 0.00 179.97 180.54 2roh h ASP 56 N 0.00 0.23 -0.01 0.08 1.82 -1.81 -1.07 116.42 115.67 2roh h ASP 56 Ca -0.00 -0.45 -0.12 0.00 -0.39 0.00 0.00 57.03 56.07 2roh h ASP 56 Cb 0.64 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 2roh h ASP 56 CO 0.04 0.63 -0.37 1.62 -1.61 0.00 0.00 179.24 179.55 2roh h VAL 57 N -0.17 1.29 0.00 2.25 3.04 -1.39 0.24 116.25 121.52 2roh h VAL 57 Ca 0.02 -1.49 -0.10 0.00 -1.01 0.00 0.00 66.70 64.12 2roh h VAL 57 Cb 0.55 1.52 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 2roh h VAL 57 CO 0.02 0.47 -0.46 0.07 -1.01 0.00 0.00 177.57 176.66 2roh h LYS 58 N 0.42 0.00 0.07 4.17 5.09 -1.28 -2.35 116.57 122.69 2roh h LYS 58 Ca 0.04 0.00 -0.25 0.00 0.09 0.00 0.00 60.65 60.53 2roh h LYS 58 Cb 0.83 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.15 2roh h LYS 58 CO 0.07 0.46 -1.32 0.35 -2.09 0.00 0.00 179.45 176.92 2roh h PHE 59 N 0.00 0.25 -0.28 0.07 3.57 -0.93 -2.96 116.94 116.66 2roh h PHE 59 Ca -0.00 -0.18 0.03 0.00 3.53 0.00 0.00 57.97 61.34 2roh h PHE 59 Cb 0.95 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 2roh h PHE 59 CO 0.00 1.52 0.08 -0.09 -2.23 0.00 0.00 178.31 177.59 2roh h ARG 60 N -0.56 0.19 0.00 1.11 2.43 -0.57 -3.31 114.38 113.67 2roh h ARG 60 Ca -0.31 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2roh h ARG 60 Cb 1.57 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 2roh h ARG 60 CO -0.04 0.13 0.00 0.00 -1.51 0.00 0.00 179.97 178.55 2roh n ALA 61 N -2.31 -0.11 -3.03 2.80 0.00 -0.88 -4.91 120.51 112.07 2roh n ALA 61 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.47 2roh n ALA 61 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2roh n ALA 61 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2roh s PHE 62 N -1.45 -0.71 0.67 0.00 0.08 -1.23 -5.01 117.98 110.33 2roh s PHE 62 Ca 0.00 0.29 0.43 0.00 0.12 0.00 0.00 56.93 57.76 2roh s PHE 62 Cb 0.00 0.13 2.33 0.00 -0.57 0.00 0.00 43.02 44.90 2roh s PHE 62 CO 0.00 -0.44 2.31 1.49 -0.10 0.00 0.00 175.22 178.48 2roh h GLU 63 N 6.70 0.00 -1.34 0.44 4.81 -1.65 -2.29 114.58 121.24 2roh h GLU 63 Ca -0.05 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.65 2roh h GLU 63 Cb 1.20 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 30.16 2roh h GLU 63 CO -0.04 0.00 -0.86 0.09 -0.73 0.00 0.00 179.01 177.47 2roh n ASN 64 N -3.06 3.85 0.06 1.04 4.13 -1.26 -4.82 115.26 115.20 2roh n ASN 64 Ca -0.03 -3.44 -0.18 0.00 1.68 0.00 0.00 54.58 52.61 2roh n ASN 64 Cb 0.12 -0.47 -0.09 0.00 -1.54 0.00 0.00 39.78 37.79 2roh n ASN 64 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 2roh h VAL 65 N 2.71 1.34 0.00 2.41 3.04 -1.81 -3.48 116.25 120.46 2roh h VAL 65 Ca 0.20 -2.41 0.00 0.00 -1.01 0.00 0.00 66.70 63.48 2roh h VAL 65 Cb 1.01 2.49 0.00 0.00 -2.01 0.00 0.00 31.29 32.78 2roh h VAL 65 CO 0.75 0.73 0.00 1.57 -1.01 0.00 0.00 177.57 179.61 2roh n HIS 66 N -3.78 0.00 -2.67 3.17 -0.00 -1.26 -5.04 115.22 105.63 2roh n HIS 66 Ca -0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.58 2roh n HIS 66 Cb 0.89 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.99 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 0.00 -0.91 -4.18 1.57 -0.00 -1.26 -5.17 115.22 105.27 2roh n HIS 67 Ca 0.00 -1.02 -0.27 0.00 0.46 0.00 0.00 57.72 56.89 2roh n HIS 67 Cb 0.00 1.27 -0.05 0.00 -0.12 0.00 0.00 29.99 31.10 2roh n HIS 67 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2roh s ARG 68 N 0.08 2.23 0.06 1.57 1.81 -1.26 -4.78 118.95 118.67 2roh s ARG 68 Ca 0.20 -2.05 0.03 0.00 -1.72 0.00 0.00 55.73 52.19 2roh s ARG 68 Cb 0.28 -1.92 -0.03 0.00 -0.45 0.00 0.00 34.95 32.84 2roh s ARG 68 CO -0.16 -0.38 -0.10 0.99 -0.68 0.00 0.00 175.30 174.96 2roh s THR 69 N -2.74 0.80 0.28 0.02 2.01 -1.26 -5.03 115.64 109.72 2roh s THR 69 Ca 0.29 -1.25 0.01 0.00 0.31 0.00 0.00 61.69 61.06 2roh s THR 69 Cb 0.01 -0.89 0.27 0.00 0.01 0.00 0.00 72.50 71.90 2roh s THR 69 CO 0.17 -0.36 1.71 0.10 -0.69 0.00 0.00 174.62 175.56 2roh h TYR 70 N 4.28 0.63 -0.24 4.92 -0.00 -1.93 0.31 116.97 124.94 2roh h TYR 70 Ca -0.38 0.04 -0.07 0.00 0.00 0.00 0.00 58.73 58.32 2roh h TYR 70 Cb 1.20 -0.15 -0.01 0.00 0.00 0.00 0.00 36.73 37.76 2roh h TYR 70 CO 0.64 0.02 -0.15 -0.24 -0.00 0.00 0.00 178.16 178.43 2roh h VAL 71 N 0.45 1.22 -0.55 -0.90 3.04 -1.96 -2.26 116.25 115.29 2roh h VAL 71 Ca 0.51 -0.99 -0.06 0.00 -1.01 0.00 0.00 66.70 65.15 2roh h VAL 71 Cb 0.89 1.20 -0.02 0.00 -2.01 0.00 0.00 31.29 31.35 2roh h VAL 71 CO -0.47 0.32 0.10 0.44 -1.01 0.00 0.00 177.57 176.94 2roh h ASP 72 N 0.38 0.87 -0.00 3.17 3.32 -0.81 0.24 116.42 123.58 2roh h ASP 72 Ca 0.07 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 2roh h ASP 72 Cb 0.48 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 2roh h ASP 72 CO 0.03 0.90 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.38 2roh h LEU 73 N 0.80 0.01 -0.46 1.55 3.38 -1.09 0.25 115.31 119.74 2roh h LEU 73 Ca 0.17 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2roh h LEU 73 Cb 0.39 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2roh h LEU 73 CO 0.01 0.32 0.13 0.50 0.09 0.00 0.00 178.44 179.50 2roh h LYS 74 N -0.31 0.73 -0.46 1.13 3.11 -1.38 -1.92 116.57 117.47 2roh h LYS 74 Ca 0.00 -0.16 -0.11 0.00 -2.81 0.00 0.00 60.65 57.57 2roh h LYS 74 Cb 0.32 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 2roh h LYS 74 CO 0.00 0.70 -0.15 0.22 -2.81 0.00 0.00 179.45 177.41 2roh h ASP 75 N 0.62 0.87 -0.16 4.20 1.82 -0.51 -2.17 116.42 121.08 2roh h ASP 75 Ca 0.15 -0.29 -0.00 0.00 -0.39 0.00 0.00 57.03 56.50 2roh h ASP 75 Cb 0.29 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.05 2roh h ASP 75 CO -0.00 1.02 0.09 0.11 -1.61 0.00 0.00 179.24 178.85 2roh h LYS 76 N 0.77 0.22 -0.01 0.28 1.57 -0.29 0.34 116.57 119.44 2roh h LYS 76 Ca 0.12 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2roh h LYS 76 Cb 0.68 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 2roh h LYS 76 CO 0.05 0.21 0.01 2.35 -0.57 0.00 0.00 179.45 181.50 2roh h TRP 77 N 0.16 0.02 -0.54 -1.35 7.01 -1.29 0.16 115.95 120.12 2roh h TRP 77 Ca 0.06 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.09 2roh h TRP 77 Cb 0.06 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.07 2roh h TRP 77 CO -0.04 0.08 0.31 -0.22 -2.79 0.00 0.00 178.44 175.78 2roh h LYS 78 N -0.05 0.59 0.18 2.65 3.64 -1.29 0.14 116.57 122.42 2roh h LYS 78 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2roh h LYS 78 Cb 0.07 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2roh h LYS 78 CO -0.00 0.39 -0.09 1.15 -2.27 0.00 0.00 179.45 178.63 2roh h THR 79 N 0.60 0.92 -0.25 1.00 2.02 -0.74 -2.13 112.91 114.33 2roh h THR 79 Ca 0.23 -0.52 0.03 0.00 0.77 0.00 0.00 66.41 66.92 2roh h THR 79 Cb 0.08 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2roh h THR 79 CO -0.12 0.12 0.17 0.17 0.37 0.00 0.00 175.52 176.22 2roh h LEU 80 N -0.49 0.18 -0.14 2.58 8.10 -0.51 -2.01 115.31 123.03 2roh h LEU 80 Ca -0.02 -0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.93 2roh h LEU 80 Cb 0.38 -0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.55 2roh h LEU 80 CO 0.04 0.13 -0.03 0.58 -4.11 0.00 0.00 178.44 175.05 2roh h VAL 81 N 0.21 1.29 -0.53 0.15 2.07 -0.52 -0.61 116.25 118.32 2roh h VAL 81 Ca 0.11 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2roh h VAL 81 Cb 0.16 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2roh h VAL 81 CO -0.02 0.28 0.34 -0.74 0.02 0.00 0.00 177.57 177.45 2roh h HIS 82 N -0.05 0.68 -0.01 1.57 -0.00 -0.81 -0.82 115.15 115.70 2roh h HIS 82 Ca 0.03 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.32 2roh h HIS 82 Cb 0.45 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 2roh h HIS 82 CO 0.05 0.44 -0.41 1.15 -0.00 0.00 0.00 177.93 179.16 2roh h THR 83 N 0.71 1.30 0.00 6.26 2.02 -1.37 -1.64 112.91 120.20 2roh h THR 83 Ca 0.19 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 65.94 2roh h THR 83 Cb -0.06 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2roh h THR 83 CO -0.04 0.41 -0.04 0.00 0.37 0.00 0.00 175.52 176.23 2roh n ALA 84 N -2.46 2.40 0.12 6.16 0.00 -0.24 -3.26 120.51 123.23 2roh n ALA 84 Ca -0.02 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.42 2roh n ALA 84 Cb 0.45 -1.45 -0.15 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.62 0.50 -2.50 0.00 2.88 -0.37 -4.99 113.62 107.52 2roh n SER 85 Ca 0.07 -0.14 -0.05 0.00 -1.33 0.00 0.00 58.87 57.42 2roh n SER 85 Cb 0.35 1.78 0.02 0.00 -0.75 0.00 0.00 64.21 65.62 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 -2.09 0.00 -4.01 2.46 -5.35 -0.67 -4.78 119.36 104.92 2roh n ILE 86 Ca -0.03 -0.31 -0.21 0.00 -0.27 0.00 0.00 62.75 61.93 2roh n ILE 86 Cb 0.49 -1.29 -0.03 0.00 -1.74 0.00 0.00 39.64 37.07 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 -2.86 3.80 0.30 -1.28 0.00 -1.26 -4.99 121.76 115.47 2roh s ALA 87 Ca 0.13 -1.32 0.09 0.00 0.00 0.00 0.00 51.96 50.85 2roh s ALA 87 Cb -0.01 -1.54 0.46 0.00 0.00 0.00 0.00 23.12 22.03 2roh s ALA 87 CO 0.09 0.23 1.69 -1.00 0.00 0.00 0.00 175.76 176.77 2roh h PRO 88 N 1.29 0.13 0.00 0.00 0.13 -1.92 -1.98 132.00 129.65 2roh h PRO 88 Ca -0.50 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2roh h PRO 88 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2roh h PRO 88 CO 0.61 0.58 0.00 0.00 -0.23 0.00 0.00 178.00 178.96 2roh n GLN 89 N -3.97 0.11 -0.08 0.86 10.64 -1.26 -2.71 117.38 120.97 2roh n GLN 89 Ca -0.02 0.40 -0.09 0.00 -1.83 0.00 0.00 57.00 55.46 2roh n GLN 89 Cb 0.51 -1.74 -0.10 0.00 -0.86 0.00 0.00 30.24 28.05 2roh n GLN 89 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2roh n GLN 90 N -1.95 1.17 -3.19 2.61 1.13 -1.02 -5.01 117.38 111.12 2roh n GLN 90 Ca 0.02 0.04 0.04 0.00 -1.94 0.00 0.00 57.00 55.16 2roh n GLN 90 Cb 0.17 -1.37 -0.03 0.00 0.11 0.00 0.00 30.24 29.12 2roh n GLN 90 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2roh s ARG 91 N -2.36 0.10 0.73 -1.09 0.52 -0.78 -5.04 118.95 111.03 2roh s ARG 91 Ca -0.14 0.20 -0.11 0.00 -0.52 0.00 0.00 55.73 55.16 2roh s ARG 91 Cb 0.05 0.12 0.03 0.00 0.52 0.00 0.00 34.95 35.67 2roh s ARG 91 CO 0.52 -0.07 1.10 0.50 0.02 0.00 0.00 175.30 177.38 2roh s ARG 92 N 2.55 2.65 0.35 3.54 3.52 -1.24 -4.34 118.95 125.99 2roh s ARG 92 Ca -0.03 0.47 0.07 0.00 -0.13 0.00 0.00 55.73 56.10 2roh s ARG 92 Cb -0.05 -2.00 -0.07 0.00 -1.56 0.00 0.00 34.95 31.27 2roh s ARG 92 CO -0.13 -1.18 -0.01 0.20 -0.81 0.00 0.00 175.30 173.37 2roh s GLY 93 N -4.29 2.21 0.96 8.12 0.00 -1.26 -5.06 107.32 107.99 2roh s GLY 93 Ca 0.59 -2.13 -0.13 0.00 0.00 0.00 0.00 44.72 43.05 2roh s GLY 93 CO 0.52 -1.97 0.38 0.00 0.00 0.00 0.00 173.10 172.03 2roh n ALA 94 N -0.79 -2.68 -1.55 3.20 0.00 -1.26 -4.76 120.51 112.67 2roh n ALA 94 Ca -0.04 -0.63 -0.36 0.00 0.00 0.00 0.00 53.44 52.40 2roh n ALA 94 Cb 0.65 -1.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 2roh n ALA 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2roh n PRO 95 N -1.67 1.49 -4.39 0.00 -0.04 -1.26 -4.89 135.00 124.25 2roh n PRO 95 Ca 0.06 -2.10 -0.24 0.00 -0.04 0.00 0.00 63.50 61.18 2roh n PRO 95 Cb 0.54 -3.28 -0.11 0.00 -0.04 0.00 0.00 33.50 30.61 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 7.87 2.13 0.81 0.52 -7.23 -1.26 -5.00 120.40 118.24 2roh s VAL 96 Ca 0.63 -2.05 -0.11 0.00 -1.81 0.00 0.00 61.98 58.64 2roh s VAL 96 Cb 0.08 -2.03 0.08 0.00 0.56 0.00 0.00 36.38 35.06 2roh s VAL 96 CO 0.14 -0.26 1.09 -2.16 -0.31 0.00 0.00 175.10 173.60 2roh s PRO 97 N -2.88 1.97 0.44 4.82 0.04 -1.26 -4.94 135.00 133.20 2roh s PRO 97 Ca 0.20 1.07 0.13 0.00 0.04 0.00 0.00 61.00 62.44 2roh s PRO 97 Cb -0.06 -1.87 0.98 0.00 0.04 0.00 0.00 34.50 33.59 2roh s PRO 97 CO 0.09 -1.81 2.00 -0.56 0.04 0.00 0.00 177.00 176.76 2roh h GLN 98 N -1.25 0.10 -0.71 4.56 3.07 -2.00 -2.64 115.11 116.23 2roh h GLN 98 Ca -0.45 -0.02 0.10 0.00 0.09 0.00 0.00 58.65 58.37 2roh h GLN 98 Cb 1.25 -0.02 -0.08 0.00 0.08 0.00 0.00 27.48 28.71 2roh h GLN 98 CO 0.52 0.21 0.33 1.05 0.09 0.00 0.00 178.83 181.04 2roh h GLU 99 N 0.10 0.54 -0.93 0.06 4.11 -1.98 0.13 114.58 116.61 2roh h GLU 99 Ca 0.02 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.47 2roh h GLU 99 Cb 0.25 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 2roh h GLU 99 CO 0.02 0.36 0.59 -0.07 0.07 0.00 0.00 179.01 179.97 2roh h LEU 100 N 0.55 0.95 -0.54 3.06 -0.00 -1.84 0.18 115.31 117.68 2roh h LEU 100 Ca 0.36 0.01 -0.12 0.00 -0.00 0.00 0.00 57.88 58.13 2roh h LEU 100 Cb 0.42 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 2roh h LEU 100 CO -0.30 0.62 -0.55 -0.07 -0.00 0.00 0.00 178.44 178.14 2roh h LEU 101 N 1.09 0.00 -0.04 1.67 -0.00 -1.26 -2.28 115.31 114.49 2roh h LEU 101 Ca 0.39 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 58.04 2roh h LEU 101 Cb 0.12 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 40.80 2roh h LEU 101 CO -0.16 0.55 -0.90 -0.78 -0.00 0.00 0.00 178.44 177.15 2roh h ASP 102 N 0.00 0.86 -0.19 -0.43 1.82 0.43 -1.71 116.42 117.21 2roh h ASP 102 Ca -0.01 -0.71 -0.09 0.00 -0.39 0.00 0.00 57.03 55.83 2roh h ASP 102 Cb 1.19 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 40.93 2roh h ASP 102 CO 0.07 1.46 -0.24 0.08 -1.61 0.00 0.00 179.24 179.00 2roh h ARG 103 N 0.35 0.49 -0.59 0.28 0.11 -0.71 -0.83 114.38 113.48 2roh h ARG 103 Ca -0.10 -0.28 -0.09 0.00 0.10 0.00 0.00 59.98 59.61 2roh h ARG 103 Cb 1.56 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 32.64 2roh h ARG 103 CO 0.18 0.87 0.01 -0.39 0.10 0.00 0.00 179.97 180.74 2roh h VAL 104 N 0.14 1.27 0.12 0.08 -1.51 -1.50 -1.83 116.25 113.01 2roh h VAL 104 Ca 0.02 -1.13 -0.01 0.00 -1.23 0.00 0.00 66.70 64.35 2roh h VAL 104 Cb 0.80 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 2roh h VAL 104 CO 0.06 0.41 -0.06 -0.07 -1.23 0.00 0.00 177.57 176.68 2roh h LEU 105 N 0.94 -0.13 -0.33 4.19 3.38 -1.32 -1.82 115.31 120.23 2roh h LEU 105 Ca 0.17 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.89 2roh h LEU 105 Cb 0.55 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 2roh h LEU 105 CO 0.03 0.26 -0.05 0.00 0.09 0.00 0.00 178.44 178.76 2roh h ALA 106 N 0.27 0.24 -0.55 1.53 0.00 -1.15 -1.82 119.26 117.78 2roh h ALA 106 Ca -0.02 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2roh h ALA 106 Cb 0.43 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2roh h ALA 106 CO 0.03 -0.44 0.35 0.00 0.00 0.00 0.00 179.25 179.18 2roh h ALA 107 N 1.31 0.71 -0.38 0.00 0.00 -1.36 0.60 119.26 120.14 2roh h ALA 107 Ca 0.16 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2roh h ALA 107 Cb 0.23 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2roh h ALA 107 CO -0.31 0.08 -0.01 0.37 0.00 0.00 0.00 179.25 179.38 2roh h GLN 108 N 0.69 0.09 -0.40 0.00 -0.00 -0.61 -1.67 115.11 113.20 2roh h GLN 108 Ca 0.22 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.75 2roh h GLN 108 Cb -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.44 2roh h GLN 108 CO -0.08 0.06 -0.19 0.00 0.00 0.00 0.00 178.83 178.61 2roh h ALA 109 N 1.34 0.57 -0.82 3.38 0.00 -1.03 0.30 119.26 122.99 2roh h ALA 109 Ca 0.18 -0.37 0.15 0.00 0.00 0.00 0.00 54.91 54.88 2roh h ALA 109 Cb 0.26 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 2roh h ALA 109 CO -0.32 0.52 0.39 1.88 0.00 0.00 0.00 179.25 181.72 2roh h TYR 110 N 0.66 0.67 0.00 0.00 0.05 -0.25 -0.77 116.97 117.33 2roh h TYR 110 Ca 0.09 0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.86 2roh h TYR 110 Cb 0.75 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 2roh h TYR 110 CO 0.06 0.12 -1.14 0.91 -1.05 0.00 0.00 178.16 177.06 2roh n TRP 111 N -4.93 0.96 -4.05 4.88 5.03 -0.69 -4.96 117.44 113.67 2roh n TRP 111 Ca 0.17 0.29 -0.33 0.00 3.03 0.00 0.00 57.50 60.65 2roh n TRP 111 Cb 0.45 -0.99 -0.01 0.00 -1.03 0.00 0.00 31.31 29.74 2roh n TRP 111 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2roh n SER 112 N -2.73 -3.91 -0.13 -0.99 2.88 0.10 -4.79 113.62 104.05 2roh n SER 112 Ca -0.03 -0.88 0.26 0.00 -1.33 0.00 0.00 58.87 56.89 2roh n SER 112 Cb 0.63 -3.17 0.70 0.00 -0.75 0.00 0.00 64.21 61.62 2roh n SER 112 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2roh h VAL 113 N -1.66 0.61 -2.52 2.46 3.04 -1.87 -3.35 116.25 112.97 2roh h VAL 113 Ca -0.57 -0.01 -0.37 0.00 -1.01 0.00 0.00 66.70 64.74 2roh h VAL 113 Cb 1.37 0.59 -0.36 0.00 -2.01 0.00 0.00 31.29 30.88 2roh h VAL 113 CO 0.73 0.00 -0.67 -0.62 -1.01 0.00 0.00 177.57 176.01 2roh s ASP 114 N -5.80 1.90 -0.37 3.17 2.15 -1.26 -5.10 116.67 111.36 2roh s ASP 114 Ca -0.05 -0.58 -0.27 0.00 0.43 0.00 0.00 52.55 52.08 2roh s ASP 114 Cb 0.21 0.24 -0.04 0.00 -0.30 0.00 0.00 42.92 43.03 2roh s ASP 114 CO 0.76 -0.36 2.08 -0.94 -0.17 0.00 0.00 175.17 176.53 2roh s SER 115 N 2.28 5.34 0.12 -0.34 1.04 -1.26 -4.90 113.70 115.98 2roh s SER 115 Ca 0.07 1.30 -0.24 0.00 0.48 0.00 0.00 55.95 57.56 2roh s SER 115 Cb -0.15 -2.52 0.08 0.00 0.10 0.00 0.00 66.02 63.53 2roh s SER 115 CO -0.21 -2.14 0.67 -0.94 0.98 0.00 0.00 173.24 171.60 2roh s SER 116 N 8.42 -0.52 -0.40 7.02 1.04 -1.26 -5.12 113.70 122.87 2roh s SER 116 Ca 0.89 0.01 -0.01 0.00 0.48 0.00 0.00 55.95 57.32 2roh s SER 116 Cb -0.23 0.55 0.23 0.00 0.10 0.00 0.00 66.02 66.66 2roh s SER 116 CO 0.31 -0.88 1.01 0.61 0.98 0.00 0.00 173.24 175.27 2roh n GLY 117 N -0.33 -1.19 2.74 7.32 0.00 -1.26 -5.13 105.19 107.34 2roh n GLY 117 Ca -0.15 0.87 -0.25 0.00 0.00 0.00 0.00 46.02 46.49 2roh n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2roh n ARG 118 N 2.31 -3.39 -1.70 1.61 1.74 -1.26 -4.91 116.66 111.06 2roh n ARG 118 Ca 0.11 -1.33 -0.43 0.00 -0.77 0.00 0.00 57.85 55.42 2roh n ARG 118 Cb 0.64 -1.41 -0.02 0.00 -1.02 0.00 0.00 32.46 30.65 2roh n ARG 118 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2roh n ILE 119 N -4.77 1.29 0.00 0.55 -5.35 -1.26 -4.90 119.36 104.92 2roh n ILE 119 Ca 0.12 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2roh n ILE 119 Cb 0.48 -1.63 0.00 0.00 -1.74 0.00 0.00 39.64 36.75 2roh n ILE 119 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2roh n VAL 120 N 1.48 0.00 0.25 7.28 0.31 -1.26 -4.78 118.33 121.60 2roh n VAL 120 Ca 0.09 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.52 2roh n VAL 120 Cb 0.34 -1.04 0.63 0.00 -0.91 0.00 0.00 33.84 32.86 2roh n VAL 120 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2roh h THR 121 N 0.00 0.65 0.00 2.52 2.02 -1.97 -3.49 112.91 112.64 2roh h THR 121 Ca 0.00 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2roh h THR 121 Cb 0.59 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 2roh h THR 121 CO 0.00 0.17 0.00 0.18 0.37 0.00 0.00 175.52 176.24