#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 6.16 0.32 1.61 0.01 -1.26 -5.04 113.70 115.50 2roh s SER 2 Ca 0.00 1.16 -0.29 0.00 1.31 0.00 0.00 55.95 58.13 2roh s SER 2 Cb 0.00 -2.30 -0.10 0.00 0.21 0.00 0.00 66.02 63.83 2roh s SER 2 CO 0.00 -0.79 1.22 -2.16 0.41 0.00 0.00 173.24 171.92 2roh s PRO 3 N -5.00 4.41 -0.12 12.44 0.04 -1.26 -5.04 135.00 140.48 2roh s PRO 3 Ca 0.52 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.56 2roh s PRO 3 Cb -0.11 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 2roh s PRO 3 CO 0.50 -0.07 -0.01 0.12 0.04 0.00 0.00 177.00 177.58 2roh s PHE 4 N -1.18 3.12 0.23 0.56 5.36 -1.26 -5.11 117.98 119.69 2roh s PHE 4 Ca 0.48 -0.01 0.10 0.00 -0.96 0.00 0.00 56.93 56.55 2roh s PHE 4 Cb -0.36 -1.89 -0.04 0.00 -0.34 0.00 0.00 43.02 40.38 2roh s PHE 4 CO 0.47 0.24 -0.13 0.00 -1.46 0.00 0.00 175.22 174.34 2roh s ALA 5 N -0.25 2.86 0.64 11.12 0.00 -1.26 -5.14 121.76 129.74 2roh s ALA 5 Ca 0.05 -1.66 -0.11 0.00 0.00 0.00 0.00 51.96 50.25 2roh s ALA 5 Cb -0.12 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 2roh s ALA 5 CO 0.02 0.36 1.04 -0.51 0.00 0.00 0.00 175.76 176.68 2roh s ASP 6 N -3.17 6.00 1.25 0.00 1.01 -1.26 -5.07 116.67 115.44 2roh s ASP 6 Ca 0.27 1.41 -0.21 0.00 0.71 0.00 0.00 52.55 54.74 2roh s ASP 6 Cb -0.07 -2.41 0.31 0.00 1.01 0.00 0.00 42.92 41.76 2roh s ASP 6 CO 0.15 -1.02 1.09 -0.81 0.21 0.00 0.00 175.17 174.80 2roh n PRO 7 N -2.84 -3.16 -3.77 8.23 -0.04 -1.26 -5.09 135.00 127.07 2roh n PRO 7 Ca 0.06 -1.75 -0.13 0.00 -0.04 0.00 0.00 63.50 61.65 2roh n PRO 7 Cb 0.54 -1.64 -0.12 0.00 -0.04 0.00 0.00 33.50 32.24 2roh n PRO 7 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2roh s ASN 8 N -4.44 -0.24 0.13 3.54 -0.87 -1.26 -5.16 114.94 106.64 2roh s ASN 8 Ca 0.71 0.48 -0.24 0.00 -1.57 0.00 0.00 52.86 52.24 2roh s ASN 8 Cb -0.07 0.43 0.07 0.00 -0.02 0.00 0.00 41.25 41.67 2roh s ASN 8 CO 0.54 -0.11 0.65 -0.55 -2.57 0.00 0.00 177.10 175.06 2roh s SER 9 N 0.59 -0.52 0.44 -1.22 0.15 -1.26 -5.18 113.70 106.69 2roh s SER 9 Ca -0.04 -0.02 0.07 0.00 0.70 0.00 0.00 55.95 56.67 2roh s SER 9 Cb -0.05 0.56 -0.02 0.00 -1.71 0.00 0.00 66.02 64.80 2roh s SER 9 CO -0.03 -0.92 0.34 -0.76 1.20 0.00 0.00 173.24 173.07 2roh s LEU 10 N -2.71 3.21 -0.30 3.45 1.02 -1.26 -5.14 118.68 116.95 2roh s LEU 10 Ca 0.02 -0.91 -0.17 0.00 0.02 0.00 0.00 54.13 53.09 2roh s LEU 10 Cb -0.01 -1.75 0.18 0.00 0.02 0.00 0.00 46.19 44.63 2roh s LEU 10 CO -0.12 -0.71 1.14 0.00 0.02 0.00 0.00 176.35 176.68 2roh s ALA 11 N -2.56 -2.95 -0.78 4.21 0.00 -1.26 -5.08 121.76 113.33 2roh s ALA 11 Ca 0.44 1.93 0.03 0.00 0.00 0.00 0.00 51.96 54.36 2roh s ALA 11 Cb -0.01 -2.15 0.29 0.00 0.00 0.00 0.00 23.12 21.25 2roh s ALA 11 CO 0.26 -0.92 1.08 1.28 0.00 0.00 0.00 175.76 177.46 2roh n LEU 12 N 4.66 4.96 -3.80 0.00 7.99 -1.26 -5.01 117.00 124.54 2roh n LEU 12 Ca -0.08 -5.43 -0.05 0.00 -0.01 0.00 0.00 56.01 50.44 2roh n LEU 12 Cb 0.54 -0.86 -0.01 0.00 -0.11 0.00 0.00 43.42 42.98 2roh n LEU 12 CO -0.04 2.02 0.64 0.00 -1.51 0.00 0.00 177.39 178.50 2roh s ALA 13 N -2.93 -1.47 0.47 -1.18 0.00 -1.26 -5.17 121.76 110.22 2roh s ALA 13 Ca 0.39 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.14 2roh s ALA 13 Cb 0.15 0.71 -0.07 0.00 0.00 0.00 0.00 23.12 23.92 2roh s ALA 13 CO -0.01 -1.04 0.87 -0.80 0.00 0.00 0.00 175.76 174.78 2roh s ASN 14 N -2.97 6.53 -0.00 0.00 0.01 -1.26 -5.05 114.94 112.19 2roh s ASN 14 Ca 0.13 1.31 -0.23 0.00 -0.71 0.00 0.00 52.86 53.35 2roh s ASN 14 Cb -0.03 -2.40 -0.05 0.00 0.41 0.00 0.00 41.25 39.18 2roh s ASN 14 CO 0.04 -0.51 0.70 -0.69 -1.51 0.00 0.00 177.10 175.13 2roh s VAL 15 N -2.54 4.87 0.61 1.60 1.01 -1.26 -5.05 120.40 119.64 2roh s VAL 15 Ca 0.54 1.48 -0.17 0.00 0.00 0.00 0.00 61.98 63.83 2roh s VAL 15 Cb -0.10 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 2roh s VAL 15 CO 0.34 0.34 1.12 -2.16 0.00 0.00 0.00 175.10 174.74 2roh s PRO 16 N 0.17 3.02 -0.80 2.72 0.04 -1.26 -4.92 135.00 133.96 2roh s PRO 16 Ca 0.36 1.48 -0.25 0.00 0.04 0.00 0.00 61.00 62.63 2roh s PRO 16 Cb -0.19 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 2roh s PRO 16 CO 0.20 -1.09 1.75 -0.51 0.04 0.00 0.00 177.00 177.39 2roh s LEU 17 N -4.45 3.26 0.32 -3.56 1.43 -1.26 -4.92 118.68 109.50 2roh s LEU 17 Ca 0.69 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 2roh s LEU 17 Cb -0.22 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 2roh s LEU 17 CO 0.36 -2.31 0.18 -0.44 0.23 0.00 0.00 176.35 174.37 2roh s SER 18 N 7.02 1.64 -0.05 2.29 0.01 -1.26 -5.16 113.70 118.19 2roh s SER 18 Ca 0.61 -1.61 -0.02 0.00 1.31 0.00 0.00 55.95 56.24 2roh s SER 18 Cb -0.08 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.63 2roh s SER 18 CO 0.07 -0.93 0.08 -0.13 0.41 0.00 0.00 173.24 172.74 2roh s ARG 19 N -3.74 -0.03 0.01 12.44 0.52 -1.26 -5.05 118.95 121.85 2roh s ARG 19 Ca 0.36 0.36 -0.02 0.00 -0.52 0.00 0.00 55.73 55.91 2roh s ARG 19 Cb 0.04 -0.36 -0.01 0.00 0.52 0.00 0.00 34.95 35.14 2roh s ARG 19 CO 0.19 -0.26 0.02 0.45 0.02 0.00 0.00 175.30 175.72 2roh s SER 20 N 1.79 0.14 -0.50 0.23 0.15 -1.26 -5.05 113.70 109.20 2roh s SER 20 Ca -0.01 -0.32 -0.02 0.00 0.70 0.00 0.00 55.95 56.30 2roh s SER 20 Cb -0.12 0.12 0.23 0.00 -1.71 0.00 0.00 66.02 64.54 2roh s SER 20 CO -0.04 -0.26 2.27 0.29 1.20 0.00 0.00 173.24 176.70 2roh n LYS 21 N 1.84 2.29 -2.68 5.44 5.02 -1.26 -4.43 118.16 124.38 2roh n LYS 21 Ca -0.21 -2.40 -0.05 0.00 -2.02 0.00 0.00 58.31 53.62 2roh n LYS 21 Cb 0.56 -2.00 0.07 0.00 -0.02 0.00 0.00 35.03 33.63 2roh n LYS 21 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2roh n ARG 22 N 0.16 0.22 -1.11 1.97 3.00 -1.26 -5.17 116.66 114.47 2roh n ARG 22 Ca 0.46 -0.87 -0.29 0.00 -0.00 0.00 0.00 57.85 57.15 2roh n ARG 22 Cb 0.54 -0.39 0.21 0.00 0.00 0.00 0.00 32.46 32.82 2roh n ARG 22 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2roh s PRO 23 N 0.28 -0.54 0.49 -0.14 0.04 -1.26 -5.09 135.00 128.78 2roh s PRO 23 Ca 0.27 0.18 0.05 0.00 0.04 0.00 0.00 61.00 61.53 2roh s PRO 23 Cb 0.20 -1.65 0.05 0.00 0.04 0.00 0.00 34.50 33.13 2roh s PRO 23 CO -0.11 -3.31 0.38 -0.40 0.04 0.00 0.00 177.00 173.60 2roh n ASP 24 N -4.52 2.52 -3.85 6.66 5.68 -1.26 -5.12 116.55 116.66 2roh n ASP 24 Ca 0.09 -2.66 -0.30 0.00 -0.50 0.00 0.00 54.79 51.42 2roh n ASP 24 Cb 0.59 -0.05 -0.15 0.00 -1.14 0.00 0.00 41.12 40.36 2roh n ASP 24 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2roh s PHE 25 N -2.40 2.42 0.00 2.11 0.08 -1.26 -5.01 117.98 113.92 2roh s PHE 25 Ca 0.29 -2.10 0.00 0.00 0.12 0.00 0.00 56.93 55.24 2roh s PHE 25 Cb -0.02 -2.04 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 2roh s PHE 25 CO 0.18 -0.87 0.00 0.41 -0.10 0.00 0.00 175.22 174.84 2roh n GLY 26 N 4.64 2.15 3.61 4.36 0.00 -1.26 -5.19 105.19 113.50 2roh n GLY 26 Ca -0.02 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2roh n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2roh s GLN 27 N -0.35 1.63 -0.19 1.61 0.00 -1.26 -5.06 119.66 116.04 2roh s GLN 27 Ca 0.00 -1.30 0.13 0.00 -0.00 0.00 0.00 55.36 54.20 2roh s GLN 27 Cb 0.00 0.48 0.39 0.00 0.00 0.00 0.00 33.01 33.88 2roh s GLN 27 CO 0.00 -0.69 1.22 2.89 0.00 0.00 0.00 175.29 178.71 2roh n ARG 28 N -0.41 1.54 -1.40 9.60 1.85 -1.26 -4.77 116.66 121.80 2roh n ARG 28 Ca -0.02 -3.09 -0.30 0.00 -1.00 0.00 0.00 57.85 53.44 2roh n ARG 28 Cb 0.62 -1.60 0.03 0.00 -1.05 0.00 0.00 32.46 30.46 2roh n ARG 28 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2roh n ARG 29 N -1.20 2.43 -3.63 2.89 5.12 -1.26 -4.95 116.66 116.06 2roh n ARG 29 Ca 0.19 -2.73 -0.37 0.00 -1.93 0.00 0.00 57.85 53.01 2roh n ARG 29 Cb 0.70 -2.09 -0.07 0.00 -1.16 0.00 0.00 32.46 29.84 2roh n ARG 29 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2roh s ILE 30 N -3.72 5.31 -1.33 0.55 -1.09 -1.26 -4.35 121.20 115.31 2roh s ILE 30 Ca 0.53 0.49 -0.03 0.00 -2.23 0.00 0.00 60.65 59.41 2roh s ILE 30 Cb 0.40 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 37.72 2roh s ILE 30 CO -0.15 0.49 0.85 -1.14 -1.23 0.00 0.00 174.94 173.76 2roh n ARG 31 N 2.80 -5.64 -1.09 2.79 0.63 -1.26 -4.94 116.66 109.95 2roh n ARG 31 Ca -0.15 0.68 -0.32 0.00 -0.92 0.00 0.00 57.85 57.15 2roh n ARG 31 Cb 0.53 -5.43 0.12 0.00 0.45 0.00 0.00 32.46 28.12 2roh n ARG 31 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2roh s ARG 32 N -6.00 1.79 -0.95 -0.14 1.81 -1.26 -4.87 118.95 109.32 2roh s ARG 32 Ca 0.17 1.40 -0.24 0.00 -1.72 0.00 0.00 55.73 55.34 2roh s ARG 32 Cb -0.08 -1.83 -0.05 0.00 -0.45 0.00 0.00 34.95 32.54 2roh s ARG 32 CO 0.79 -2.03 1.94 -1.25 -0.68 0.00 0.00 175.30 174.07 2roh s PRO 33 N -4.63 2.55 0.32 3.54 0.04 -1.26 -4.93 135.00 130.62 2roh s PRO 33 Ca 0.65 -0.44 0.10 0.00 0.04 0.00 0.00 61.00 61.35 2roh s PRO 33 Cb -0.21 -5.09 -0.05 0.00 0.04 0.00 0.00 34.50 29.18 2roh s PRO 33 CO 0.55 -3.48 -0.04 -0.59 0.04 0.00 0.00 177.00 173.48 2roh s PHE 34 N 10.23 2.50 0.27 0.56 -0.12 -1.26 -5.15 117.98 125.01 2roh s PHE 34 Ca 0.70 -0.41 0.07 0.00 -0.05 0.00 0.00 56.93 57.24 2roh s PHE 34 Cb -0.06 -1.37 -0.03 0.00 -0.63 0.00 0.00 43.02 40.93 2roh s PHE 34 CO 0.02 0.54 0.22 -0.08 -0.05 0.00 0.00 175.22 175.87 2roh s THR 35 N -2.51 4.27 0.31 -4.49 -1.32 -1.26 -4.95 115.64 105.69 2roh s THR 35 Ca 0.33 -1.39 0.04 0.00 -1.21 0.00 0.00 61.69 59.47 2roh s THR 35 Cb -0.01 -3.37 0.30 0.00 -1.51 0.00 0.00 72.50 67.91 2roh s THR 35 CO 0.18 -0.31 1.83 1.62 -2.21 0.00 0.00 174.62 175.73 2roh h VAL 36 N 1.43 0.86 -0.06 5.08 3.04 -1.98 0.16 116.25 124.78 2roh h VAL 36 Ca -0.48 -0.30 -0.00 0.00 -1.01 0.00 0.00 66.70 64.91 2roh h VAL 36 Cb 1.24 -0.09 -0.00 0.00 -2.01 0.00 0.00 31.29 30.43 2roh h VAL 36 CO 0.60 0.16 0.02 0.00 -1.01 0.00 0.00 177.57 177.34 2roh h ALA 37 N 1.58 0.07 -0.09 3.17 0.00 -1.98 0.16 119.26 122.16 2roh h ALA 37 Ca 0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 2roh h ALA 37 Cb 0.63 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2roh h ALA 37 CO -0.27 -0.31 0.04 1.49 0.00 0.00 0.00 179.25 180.19 2roh h GLU 38 N -0.12 0.14 -0.52 0.00 4.81 -1.74 -1.96 114.58 115.19 2roh h GLU 38 Ca 0.02 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2roh h GLU 38 Cb 0.22 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2roh h GLU 38 CO -0.00 0.26 0.18 0.28 -0.73 0.00 0.00 179.01 179.00 2roh h VAL 39 N -0.01 1.20 -0.02 0.32 2.07 -0.72 -0.55 116.25 118.53 2roh h VAL 39 Ca 0.03 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 2roh h VAL 39 Cb 0.17 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2roh h VAL 39 CO -0.00 0.25 0.01 -0.33 0.02 0.00 0.00 177.57 177.52 2roh h GLU 40 N 0.74 0.04 -0.43 1.57 5.08 -0.46 -1.71 114.58 119.41 2roh h GLU 40 Ca 0.17 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 2roh h GLU 40 Cb 0.19 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2roh h GLU 40 CO -0.01 0.16 0.04 -0.07 -1.00 0.00 0.00 179.01 178.13 2roh h LEU 41 N -0.10 0.70 0.13 1.33 3.38 -1.16 -1.14 115.31 118.46 2roh h LEU 41 Ca 0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2roh h LEU 41 Cb 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2roh h LEU 41 CO -0.00 0.81 -0.12 0.25 0.09 0.00 0.00 178.44 179.47 2roh h LEU 42 N 0.57 -0.34 -1.09 1.67 6.46 -1.02 0.77 115.31 122.34 2roh h LEU 42 Ca 0.13 0.03 0.15 0.00 -0.12 0.00 0.00 57.88 58.06 2roh h LEU 42 Cb 0.42 0.11 -0.09 0.00 -0.73 0.00 0.00 40.66 40.38 2roh h LEU 42 CO 0.01 -0.16 0.62 -0.37 -0.62 0.00 0.00 178.44 177.91 2roh h VAL 43 N -0.25 0.82 0.00 1.05 -1.51 -1.39 0.25 116.25 115.22 2roh h VAL 43 Ca -0.02 -0.29 -0.03 0.00 -1.23 0.00 0.00 66.70 65.14 2roh h VAL 43 Cb 0.21 -0.09 -0.00 0.00 -2.13 0.00 0.00 31.29 29.28 2roh h VAL 43 CO -0.01 0.15 -0.13 -0.08 -1.23 0.00 0.00 177.57 176.27 2roh h GLU 44 N 0.84 0.00 0.00 5.19 4.22 -0.92 0.48 114.58 124.39 2roh h GLU 44 Ca 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.96 2roh h GLU 44 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2roh h GLU 44 CO -0.29 0.13 -0.00 0.00 -2.18 0.00 0.00 179.01 176.67 2roh h ALA 45 N 1.87 -0.00 0.00 2.92 0.00 0.20 -2.44 119.26 121.81 2roh h ALA 45 Ca -0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 2roh h ALA 45 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2roh h ALA 45 CO 0.02 -0.13 -0.68 -0.24 0.00 0.00 0.00 179.25 178.21 2roh h VAL 46 N -0.74 1.44 -0.15 0.00 3.04 -1.23 -2.93 116.25 115.69 2roh h VAL 46 Ca -0.00 -2.36 -0.14 0.00 -1.01 0.00 0.00 66.70 63.19 2roh h VAL 46 Cb 0.73 2.29 -0.01 0.00 -2.01 0.00 0.00 31.29 32.29 2roh h VAL 46 CO 0.00 0.67 -0.51 -0.08 -1.01 0.00 0.00 177.57 176.64 2roh h GLU 47 N 0.00 0.42 -0.28 4.17 4.22 -0.11 0.44 114.58 123.44 2roh h GLU 47 Ca -0.01 -0.24 -0.18 0.00 0.08 0.00 0.00 59.36 59.01 2roh h GLU 47 Cb 1.23 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2roh h GLU 47 CO 0.09 0.83 -0.55 1.25 -2.18 0.00 0.00 179.01 178.45 2roh h HIS 48 N 0.33 1.05 0.00 0.92 2.76 -1.38 -3.07 115.15 115.75 2roh h HIS 48 Ca 0.01 -0.37 0.00 0.00 -2.20 0.00 0.00 60.37 57.81 2roh h HIS 48 Cb 1.01 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.77 2roh h HIS 48 CO 0.03 1.19 -0.48 1.28 -1.30 0.00 0.00 177.93 178.65 2roh n LEU 49 N -4.00 0.48 0.00 0.26 4.77 -1.11 -5.00 117.00 112.40 2roh n LEU 49 Ca -0.04 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2roh n LEU 49 Cb 0.62 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2roh n LEU 49 CO 0.50 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2roh n GLY 50 N 1.49 3.77 2.32 -0.72 0.00 0.15 -1.55 105.19 110.65 2roh n GLY 50 Ca 0.05 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 2roh n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2roh n THR 51 N 0.00 3.25 0.00 2.61 -1.04 -1.26 -4.77 114.28 113.06 2roh n THR 51 Ca 0.00 -2.72 0.00 0.00 -2.04 0.00 0.00 64.05 59.29 2roh n THR 51 Cb 0.00 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 2roh n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2roh n GLY 52 N 0.11 0.86 3.70 3.41 0.00 -0.60 -4.87 105.19 107.81 2roh n GLY 52 Ca 0.46 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 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 0.42 2.52 0.21 1.61 0.52 -1.26 -5.03 118.95 117.93 2roh s ARG 53 Ca 0.00 -1.21 -0.02 0.00 -0.52 0.00 0.00 55.73 53.98 2roh s ARG 53 Cb 0.00 -2.34 0.17 0.00 0.52 0.00 0.00 34.95 33.30 2roh s ARG 53 CO 0.00 0.40 1.55 -1.49 0.02 0.00 0.00 175.30 175.79 2roh h TRP 54 N 2.03 0.68 -0.26 -0.53 6.55 -1.98 -2.99 115.95 119.46 2roh h TRP 54 Ca -0.46 -0.22 -0.10 0.00 0.95 0.00 0.00 58.89 59.06 2roh h TRP 54 Cb 1.23 -0.14 -0.01 0.00 -0.86 0.00 0.00 29.16 29.38 2roh h TRP 54 CO 0.63 0.92 -0.27 0.00 -1.05 0.00 0.00 178.44 178.68 2roh h ARG 55 N 0.45 0.51 -0.15 0.49 2.47 -1.96 -1.50 114.38 114.69 2roh h ARG 55 Ca 0.03 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.54 2roh h ARG 55 Cb 0.99 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.27 2roh h ARG 55 CO 0.09 0.73 0.06 -0.44 0.56 0.00 0.00 179.97 180.97 2roh h ASP 56 N 0.44 0.20 0.51 7.04 5.19 -1.95 -2.13 116.42 125.73 2roh h ASP 56 Ca 0.06 -0.17 -0.09 0.00 -0.62 0.00 0.00 57.03 56.21 2roh h ASP 56 Cb 0.70 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 2roh h ASP 56 CO 0.05 0.32 -0.43 1.62 -3.12 0.00 0.00 179.24 177.68 2roh h VAL 57 N 0.08 1.22 -0.20 -1.35 3.04 -1.45 0.15 116.25 117.74 2roh h VAL 57 Ca 0.05 -1.53 -0.02 0.00 -1.01 0.00 0.00 66.70 64.19 2roh h VAL 57 Cb 0.18 1.84 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 2roh h VAL 57 CO -0.00 0.42 0.05 0.50 -1.01 0.00 0.00 177.57 177.53 2roh h LYS 58 N 0.00 0.32 0.10 4.17 1.63 -1.00 0.77 116.57 122.56 2roh h LYS 58 Ca -0.00 -0.08 -0.27 0.00 -0.85 0.00 0.00 60.65 59.45 2roh h LYS 58 Cb 0.81 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 2roh h LYS 58 CO 0.06 0.45 -1.25 0.35 -3.45 0.00 0.00 179.45 175.60 2roh h PHE 59 N 0.14 0.37 0.00 1.91 3.57 -1.32 -3.18 116.94 118.42 2roh h PHE 59 Ca 0.06 -0.27 -0.04 0.00 3.53 0.00 0.00 57.97 61.26 2roh h PHE 59 Cb 0.27 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2roh h PHE 59 CO 0.01 1.23 -0.18 -0.09 -2.23 0.00 0.00 178.31 177.05 2roh h ARG 60 N 0.05 0.00 0.00 1.11 9.65 -0.67 -3.35 114.38 121.17 2roh h ARG 60 Ca -0.13 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 2roh h ARG 60 Cb 1.94 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.52 2roh h ARG 60 CO 0.18 0.18 0.00 0.00 2.80 0.00 0.00 179.97 183.13 2roh n ALA 61 N -2.21 -0.04 -3.15 2.80 0.00 0.26 -4.80 120.51 113.37 2roh n ALA 61 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2roh n ALA 61 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.83 2roh n ALA 61 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2roh s PHE 62 N -0.80 -1.21 -0.48 0.00 -0.12 -1.20 -4.88 117.98 109.29 2roh s PHE 62 Ca 0.00 0.96 -0.01 0.00 -0.05 0.00 0.00 56.93 57.82 2roh s PHE 62 Cb 0.00 0.30 0.31 0.00 -0.63 0.00 0.00 43.02 43.01 2roh s PHE 62 CO 0.00 -0.69 2.04 -0.85 -0.05 0.00 0.00 175.22 175.67 2roh n GLU 63 N 5.36 2.20 -0.54 1.99 0.28 -1.26 -3.86 120.64 124.82 2roh n GLU 63 Ca 0.02 -2.34 -0.00 0.00 -0.16 0.00 0.00 57.16 54.68 2roh n GLU 63 Cb 0.54 -1.92 -0.00 0.00 1.43 0.00 0.00 31.44 31.49 2roh n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2roh n ASN 64 N -0.19 -0.01 -4.35 -1.84 5.15 -1.26 -5.09 115.26 107.66 2roh n ASN 64 Ca 0.45 -1.42 -0.34 0.00 -0.60 0.00 0.00 54.58 52.67 2roh n ASN 64 Cb 0.61 -0.07 -0.14 0.00 -0.53 0.00 0.00 39.78 39.65 2roh n ASN 64 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2roh s VAL 65 N 0.00 3.23 0.54 3.44 1.01 -1.25 -5.09 120.40 122.28 2roh s VAL 65 Ca 0.01 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 2roh s VAL 65 Cb 0.01 -2.41 -0.08 0.00 0.00 0.00 0.00 36.38 33.90 2roh s VAL 65 CO -0.00 0.48 0.80 1.41 0.00 0.00 0.00 175.10 177.79 2roh n HIS 66 N 4.06 0.30 -3.02 5.22 8.25 -1.26 -3.95 115.22 124.83 2roh n HIS 66 Ca -0.18 0.48 -0.09 0.00 -0.26 0.00 0.00 57.72 57.67 2roh n HIS 66 Cb 0.52 -2.09 0.01 0.00 1.12 0.00 0.00 29.99 29.55 2roh n HIS 66 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2roh n HIS 67 N -1.37 -2.61 -3.98 4.41 -0.00 -1.26 -5.03 115.22 105.38 2roh n HIS 67 Ca 0.12 1.11 -0.12 0.00 -0.00 0.00 0.00 57.72 58.83 2roh n HIS 67 Cb 0.45 -2.84 -0.13 0.00 -0.00 0.00 0.00 29.99 27.47 2roh n HIS 67 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 2roh s ARG 68 N -1.83 0.23 -0.17 1.57 1.70 -1.25 -5.15 118.95 114.04 2roh s ARG 68 Ca 0.13 -0.29 -0.11 0.00 -0.47 0.00 0.00 55.73 54.98 2roh s ARG 68 Cb -0.02 -0.08 0.06 0.00 -0.57 0.00 0.00 34.95 34.33 2roh s ARG 68 CO 0.59 0.01 0.43 0.95 -1.08 0.00 0.00 175.30 176.21 2roh s THR 69 N -0.59 -0.02 0.24 4.99 -4.23 -1.26 -5.01 115.64 109.76 2roh s THR 69 Ca -0.05 0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 60.46 2roh s THR 69 Cb -0.04 -0.63 0.22 0.00 1.34 0.00 0.00 72.50 73.38 2roh s THR 69 CO -0.00 0.03 1.69 0.10 -0.54 0.00 0.00 174.62 175.89 2roh h TYR 70 N 6.66 0.26 -0.07 3.99 -0.00 -1.94 0.26 116.97 126.13 2roh h TYR 70 Ca -0.34 0.04 -0.07 0.00 -0.00 0.00 0.00 58.73 58.37 2roh h TYR 70 Cb 1.18 -0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.90 2roh h TYR 70 CO 0.28 -0.07 -0.27 -0.24 -0.00 0.00 0.00 178.16 177.85 2roh h VAL 71 N 0.27 1.23 -0.38 -0.90 3.04 -1.97 -2.40 116.25 115.14 2roh h VAL 71 Ca 0.40 -1.06 -0.04 0.00 -1.01 0.00 0.00 66.70 64.98 2roh h VAL 71 Cb 0.66 1.47 -0.02 0.00 -2.01 0.00 0.00 31.29 31.39 2roh h VAL 71 CO -0.49 0.31 0.09 -0.78 -1.01 0.00 0.00 177.57 175.69 2roh h ASP 72 N 0.12 0.58 -0.05 3.17 3.58 -0.92 0.25 116.42 123.15 2roh h ASP 72 Ca 0.02 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.23 2roh h ASP 72 Cb 0.54 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.44 2roh h ASP 72 CO 0.04 0.66 0.00 -0.07 -2.88 0.00 0.00 179.24 177.00 2roh h LEU 73 N 0.47 0.08 -0.34 2.28 3.38 -1.11 0.26 115.31 120.33 2roh h LEU 73 Ca 0.12 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2roh h LEU 73 Cb 0.31 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2roh h LEU 73 CO 0.00 0.35 0.14 0.50 0.09 0.00 0.00 178.44 179.52 2roh h LYS 74 N -0.19 0.50 -0.55 1.13 1.63 -1.41 -1.55 116.57 116.13 2roh h LYS 74 Ca 0.01 -0.09 -0.09 0.00 -0.85 0.00 0.00 60.65 59.63 2roh h LYS 74 Cb 0.31 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 2roh h LYS 74 CO 0.00 0.50 -0.03 0.22 -3.45 0.00 0.00 179.45 176.69 2roh h ASP 75 N 0.40 0.95 -0.64 4.20 1.82 -0.49 -2.19 116.42 120.46 2roh h ASP 75 Ca 0.11 -0.27 -0.02 0.00 -0.39 0.00 0.00 57.03 56.46 2roh h ASP 75 Cb 0.18 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 39.90 2roh h ASP 75 CO -0.01 1.02 0.33 0.11 -1.61 0.00 0.00 179.24 179.09 2roh h LYS 76 N 0.88 0.91 0.12 0.28 1.79 -0.26 0.44 116.57 120.72 2roh h LYS 76 Ca 0.16 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 2roh h LYS 76 Cb 0.56 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2roh h LYS 76 CO 0.03 0.70 -0.06 2.35 -1.08 0.00 0.00 179.45 181.40 2roh h TRP 77 N 0.88 -0.14 -0.32 -1.35 7.01 -1.13 -0.80 115.95 120.10 2roh h TRP 77 Ca 0.22 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.24 2roh h TRP 77 Cb 0.07 0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.16 2roh h TRP 77 CO -0.00 0.10 0.17 -0.22 -2.79 0.00 0.00 178.44 175.69 2roh h LYS 78 N -0.38 0.33 0.09 2.65 1.63 -1.29 -1.16 116.57 118.44 2roh h LYS 78 Ca -0.02 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2roh h LYS 78 Cb 0.31 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2roh h LYS 78 CO 0.03 0.22 -0.10 1.15 -3.45 0.00 0.00 179.45 177.30 2roh h THR 79 N 0.34 0.78 -0.33 1.00 2.02 -0.87 -1.92 112.91 113.93 2roh h THR 79 Ca 0.13 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.37 2roh h THR 79 Cb 0.03 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2roh h THR 79 CO -0.08 0.00 0.23 0.17 0.37 0.00 0.00 175.52 176.21 2roh h LEU 80 N -0.21 0.14 -0.26 2.58 8.10 -0.95 -1.83 115.31 122.88 2roh h LEU 80 Ca 0.01 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.96 2roh h LEU 80 Cb 0.21 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.39 2roh h LEU 80 CO -0.03 0.09 0.00 0.58 -4.11 0.00 0.00 178.44 174.97 2roh h VAL 81 N 0.16 1.25 -0.66 0.15 2.07 -0.46 0.47 116.25 119.23 2roh h VAL 81 Ca 0.15 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 2roh h VAL 81 Cb 0.39 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2roh h VAL 81 CO -0.02 0.29 0.35 -0.74 0.02 0.00 0.00 177.57 177.46 2roh h HIS 82 N 0.24 0.93 0.00 1.57 -0.00 -0.75 -0.91 115.15 116.22 2roh h HIS 82 Ca 0.07 -0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.30 2roh h HIS 82 Cb 0.41 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 2roh h HIS 82 CO 0.03 0.67 -0.55 1.15 -0.00 0.00 0.00 177.93 179.24 2roh h THR 83 N 0.91 1.33 0.00 6.26 2.02 -1.34 -1.75 112.91 120.34 2roh h THR 83 Ca 0.23 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 65.49 2roh h THR 83 Cb 0.07 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2roh h THR 83 CO -0.03 0.54 -0.07 0.00 0.37 0.00 0.00 175.52 176.33 2roh n ALA 84 N -2.41 2.48 -0.07 6.16 0.00 0.15 -3.46 120.51 123.37 2roh n ALA 84 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 2roh n ALA 84 Cb 0.57 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.55 0.30 -2.75 0.00 2.88 -0.39 -4.99 113.62 107.12 2roh n SER 85 Ca 0.07 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.49 2roh n SER 85 Cb 0.35 1.30 0.08 0.00 -0.75 0.00 0.00 64.21 65.18 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 -2.54 0.00 -3.58 2.46 -5.35 -0.69 -5.08 119.36 104.58 2roh n ILE 86 Ca -0.22 -0.35 -0.23 0.00 -0.27 0.00 0.00 62.75 61.68 2roh n ILE 86 Cb 0.92 -1.72 -0.01 0.00 -1.74 0.00 0.00 39.64 37.09 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 -3.87 3.81 0.10 -1.28 0.00 -1.26 -5.00 121.76 114.26 2roh s ALA 87 Ca 0.29 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.04 2roh s ALA 87 Cb -0.01 -1.95 -0.08 0.00 0.00 0.00 0.00 23.12 21.07 2roh s ALA 87 CO 0.20 0.06 1.42 -1.00 0.00 0.00 0.00 175.76 176.45 2roh h PRO 88 N 0.90 0.70 -0.02 0.00 0.13 -1.92 -2.93 132.00 128.86 2roh h PRO 88 Ca -0.50 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 2roh h PRO 88 Cb 1.23 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2roh h PRO 88 CO 0.61 0.98 0.04 -0.56 -0.23 0.00 0.00 178.00 178.84 2roh h GLN 89 N 0.45 0.00 0.08 0.86 3.07 -2.01 -2.11 115.11 115.44 2roh h GLN 89 Ca 0.05 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.67 2roh h GLN 89 Cb 0.85 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.43 2roh h GLN 89 CO 0.07 0.00 -0.54 1.96 0.09 0.00 0.00 178.83 180.41 2roh h GLN 90 N 0.00 0.17 -1.45 0.06 4.20 -1.93 -3.45 115.11 112.72 2roh h GLN 90 Ca 0.01 -0.30 -0.10 0.00 0.06 0.00 0.00 58.65 58.32 2roh h GLN 90 Cb 0.09 0.11 -0.26 0.00 0.30 0.00 0.00 27.48 27.73 2roh h GLN 90 CO -0.00 1.14 -0.47 1.03 -0.67 0.00 0.00 178.83 179.86 2roh s ARG 91 N -2.35 0.47 -0.58 1.46 3.00 -0.82 -5.08 118.95 115.05 2roh s ARG 91 Ca -0.16 0.32 -0.29 0.00 0.00 0.00 0.00 55.73 55.59 2roh s ARG 91 Cb -0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 34.95 34.74 2roh s ARG 91 CO 0.77 -1.01 2.43 0.54 0.00 0.00 0.00 175.30 178.03 2roh n ARG 92 N 5.38 0.82 -2.21 3.54 5.12 -1.03 -4.67 116.66 123.60 2roh n ARG 92 Ca 0.02 0.09 -0.35 0.00 -1.93 0.00 0.00 57.85 55.68 2roh n ARG 92 Cb 0.51 -2.71 0.01 0.00 -1.16 0.00 0.00 32.46 29.10 2roh n ARG 92 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2roh s GLY 93 N 10.13 2.63 0.97 -0.13 0.00 -1.26 -4.98 107.32 114.67 2roh s GLY 93 Ca 1.11 0.83 -0.13 0.00 0.00 0.00 0.00 44.72 46.52 2roh s GLY 93 CO 0.38 1.19 0.30 0.00 0.00 0.00 0.00 173.10 174.96 2roh n ALA 94 N -1.38 -2.92 -1.83 3.20 0.00 -1.26 -4.75 120.51 111.57 2roh n ALA 94 Ca 0.12 -0.68 -0.32 0.00 0.00 0.00 0.00 53.44 52.56 2roh n ALA 94 Cb 0.51 -1.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.48 1.55 -4.41 0.00 -0.04 -1.26 -4.90 135.00 124.47 2roh n PRO 95 Ca 0.06 -2.31 -0.24 0.00 -0.04 0.00 0.00 63.50 60.97 2roh n PRO 95 Cb 0.55 -3.53 -0.11 0.00 -0.04 0.00 0.00 33.50 30.36 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 9.64 2.20 0.35 0.52 -7.23 -1.26 -5.02 120.40 119.60 2roh s VAL 96 Ca 0.66 -2.12 -0.28 0.00 -1.81 0.00 0.00 61.98 58.43 2roh s VAL 96 Cb 0.03 -2.09 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 2roh s VAL 96 CO 0.14 -0.28 1.21 -2.16 -0.31 0.00 0.00 175.10 173.70 2roh s PRO 97 N -3.01 4.30 0.48 4.82 0.04 -1.26 -4.92 135.00 135.44 2roh s PRO 97 Ca 0.22 1.99 0.14 0.00 0.04 0.00 0.00 61.00 63.38 2roh s PRO 97 Cb -0.06 -2.95 1.12 0.00 0.04 0.00 0.00 34.50 32.66 2roh s PRO 97 CO 0.10 -0.16 2.09 1.96 0.04 0.00 0.00 177.00 181.04 2roh h GLN 98 N 3.19 0.21 -0.52 4.56 7.50 -2.00 -1.36 115.11 126.69 2roh h GLN 98 Ca -0.48 -0.01 0.01 0.00 0.50 0.00 0.00 58.65 58.67 2roh h GLN 98 Cb 1.23 -0.05 -0.03 0.00 0.05 0.00 0.00 27.48 28.68 2roh h GLN 98 CO 0.65 0.14 0.34 1.05 -1.50 0.00 0.00 178.83 179.51 2roh h GLU 99 N 0.22 0.65 -0.25 1.46 4.11 -1.99 -1.14 114.58 117.64 2roh h GLU 99 Ca 0.09 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.45 2roh h GLU 99 Cb 0.11 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2roh h GLU 99 CO -0.02 0.43 0.01 -0.07 0.07 0.00 0.00 179.01 179.44 2roh h LEU 100 N 0.67 0.42 -1.52 3.06 4.07 -1.63 -2.02 115.31 118.37 2roh h LEU 100 Ca 0.20 -0.29 -0.04 0.00 0.08 0.00 0.00 57.88 57.82 2roh h LEU 100 Cb -0.03 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 2roh h LEU 100 CO -0.05 0.61 -0.20 -0.07 -1.08 0.00 0.00 178.44 177.66 2roh h LEU 101 N 0.22 0.00 -0.08 1.67 -0.00 -1.42 -2.22 115.31 113.48 2roh h LEU 101 Ca 0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.87 2roh h LEU 101 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2roh h LEU 101 CO 0.01 0.20 -0.27 -0.78 -0.00 0.00 0.00 178.44 177.60 2roh h ASP 102 N 0.00 0.37 -0.62 -0.43 3.58 -0.92 -1.71 116.42 116.68 2roh h ASP 102 Ca -0.00 -0.62 -0.09 0.00 0.42 0.00 0.00 57.03 56.74 2roh h ASP 102 Cb 0.54 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 2roh h ASP 102 CO 0.03 0.92 0.04 0.08 -2.88 0.00 0.00 179.24 177.43 2roh h ARG 103 N -0.17 1.07 -0.27 0.28 0.11 -1.23 0.26 114.38 114.43 2roh h ARG 103 Ca -0.01 -0.32 -0.04 0.00 0.10 0.00 0.00 59.98 59.71 2roh h ARG 103 Cb 0.90 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.86 2roh h ARG 103 CO 0.06 1.02 0.01 0.28 0.10 0.00 0.00 179.97 181.43 2roh h VAL 104 N 0.97 1.25 0.00 0.08 2.07 -1.46 -1.84 116.25 117.33 2roh h VAL 104 Ca 0.18 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 2roh h VAL 104 Cb 0.51 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2roh h VAL 104 CO 0.02 0.28 -0.00 -0.07 0.02 0.00 0.00 177.57 177.83 2roh h LEU 105 N 0.25 -0.00 -0.61 2.57 -0.00 -1.23 -1.83 115.31 114.46 2roh h LEU 105 Ca 0.08 -0.48 0.12 0.00 -0.00 0.00 0.00 57.88 57.59 2roh h LEU 105 Cb 0.41 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 40.98 2roh h LEU 105 CO 0.01 0.48 0.14 0.00 -0.00 0.00 0.00 178.44 179.07 2roh h ALA 106 N 0.51 0.73 -0.38 1.53 0.00 -0.53 -0.93 119.26 120.20 2roh h ALA 106 Ca -0.00 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2roh h ALA 106 Cb 0.49 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2roh h ALA 106 CO 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 179.25 178.98 2roh h ALA 107 N 1.49 0.50 -0.46 0.00 0.00 -1.35 -1.61 119.26 117.83 2roh h ALA 107 Ca 0.32 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2roh h ALA 107 Cb 0.48 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2roh h ALA 107 CO -0.41 0.24 0.09 0.37 0.00 0.00 0.00 179.25 179.55 2roh h GLN 108 N 0.47 0.22 -0.55 0.00 -0.00 -0.40 0.97 115.11 115.83 2roh h GLN 108 Ca 0.11 -0.01 -0.10 0.00 -0.00 0.00 0.00 58.65 58.65 2roh h GLN 108 Cb 0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.83 2roh h GLN 108 CO 0.01 0.15 -0.04 0.00 0.00 0.00 0.00 178.83 178.95 2roh h ALA 109 N 1.35 0.74 -0.73 3.38 0.00 -1.13 0.92 119.26 123.80 2roh h ALA 109 Ca 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2roh h ALA 109 Cb 0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2roh h ALA 109 CO -0.30 0.61 0.41 1.88 0.00 0.00 0.00 179.25 181.85 2roh h TYR 110 N 0.87 0.98 0.00 0.00 -1.99 -0.49 -2.11 116.97 114.24 2roh h TYR 110 Ca 0.15 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.86 2roh h TYR 110 Cb 0.60 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 39.01 2roh h TYR 110 CO 0.04 0.68 -0.07 -1.49 -0.00 0.00 0.00 178.16 177.33 2roh h TRP 111 N 1.00 0.00 -2.67 4.88 -0.00 -0.71 -3.46 115.95 114.98 2roh h TRP 111 Ca 0.26 0.00 -0.32 0.00 -0.00 0.00 0.00 58.89 58.83 2roh h TRP 111 Cb 0.01 0.00 0.19 0.00 -0.00 0.00 0.00 29.16 29.36 2roh h TRP 111 CO -0.01 0.00 -0.15 0.45 -0.00 0.00 0.00 178.44 178.73 2roh n SER 112 N -2.84 -3.93 -0.05 -3.49 2.88 0.31 -3.63 113.62 102.88 2roh n SER 112 Ca 0.04 -0.76 -0.01 0.00 -1.33 0.00 0.00 58.87 56.81 2roh n SER 112 Cb 0.50 -0.93 -0.00 0.00 -0.75 0.00 0.00 64.21 63.03 2roh n SER 112 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2roh n VAL 113 N -5.49 0.00 -3.53 2.46 0.31 -1.26 -4.91 118.33 105.91 2roh n VAL 113 Ca 0.12 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2roh n VAL 113 Cb 0.52 -0.66 -0.05 0.00 -0.91 0.00 0.00 33.84 32.74 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 -2.05 -0.48 0.17 4.52 -1.08 -1.24 -5.18 116.67 111.33 2roh s ASP 114 Ca 0.00 0.72 -0.24 0.00 -0.52 0.00 0.00 52.55 52.51 2roh s ASP 114 Cb 0.00 1.36 0.06 0.00 -1.46 0.00 0.00 42.92 42.88 2roh s ASP 114 CO 0.00 -0.11 0.88 -0.55 0.52 0.00 0.00 175.17 175.91 2roh s SER 115 N 1.78 -0.22 -0.17 -0.34 0.15 -1.26 -4.96 113.70 108.67 2roh s SER 115 Ca -0.06 -0.41 0.14 0.00 0.70 0.00 0.00 55.95 56.32 2roh s SER 115 Cb -0.04 0.55 0.43 0.00 -1.71 0.00 0.00 66.02 65.24 2roh s SER 115 CO -0.16 -1.00 1.21 -0.24 1.20 0.00 0.00 173.24 174.25 2roh n SER 116 N -0.45 1.74 -4.64 5.45 2.88 -1.26 -5.06 113.62 112.29 2roh n SER 116 Ca -0.06 -3.47 -0.23 0.00 -1.33 0.00 0.00 58.87 53.77 2roh n SER 116 Cb 0.60 -0.47 -0.07 0.00 -0.75 0.00 0.00 64.21 63.52 2roh n SER 116 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2roh s GLY 117 N -3.01 1.66 0.38 0.46 0.00 -1.26 -5.09 107.32 100.45 2roh s GLY 117 Ca 0.38 -1.63 -0.28 0.00 0.00 0.00 0.00 44.72 43.19 2roh s GLY 117 CO -0.08 -1.69 1.45 -2.13 0.00 0.00 0.00 173.10 170.65 2roh n ARG 118 N -0.81 2.56 -1.54 2.90 0.00 -1.26 -4.80 116.66 113.71 2roh n ARG 118 Ca -0.07 0.90 -0.38 0.00 -0.00 0.00 0.00 57.85 58.31 2roh n ARG 118 Cb 0.59 -2.62 -0.06 0.00 0.00 0.00 0.00 32.46 30.37 2roh n ARG 118 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2roh n ILE 119 N 0.36 -0.05 -3.37 5.15 2.08 -1.26 -4.92 119.36 117.36 2roh n ILE 119 Ca 0.02 -0.62 -0.38 0.00 0.56 0.00 0.00 62.75 62.33 2roh n ILE 119 Cb 0.39 -2.30 -0.06 0.00 -0.75 0.00 0.00 39.64 36.92 2roh n ILE 119 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 2roh s VAL 120 N 11.38 5.04 -0.39 1.39 -7.23 -1.26 -4.98 120.40 124.35 2roh s VAL 120 Ca 1.06 0.98 0.06 0.00 -1.81 0.00 0.00 61.98 62.27 2roh s VAL 120 Cb -0.42 -3.80 0.62 0.00 0.56 0.00 0.00 36.38 33.34 2roh s VAL 120 CO 0.32 0.46 1.76 1.07 -0.31 0.00 0.00 175.10 178.40 2roh n THR 121 N 2.62 2.97 -1.69 5.32 5.66 -1.26 -5.27 114.28 122.64 2roh n THR 121 Ca -0.10 -2.20 0.00 0.00 -3.05 0.00 0.00 64.05 58.70 2roh n THR 121 Cb 0.52 -0.41 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 2roh n THR 121 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91