#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roh n SER 2 N 0.00 -2.44 -3.03 1.61 7.64 -1.26 -5.15 113.62 110.99 2roh n SER 2 Ca 0.00 -3.18 -0.15 0.00 1.01 0.00 0.00 58.87 56.55 2roh n SER 2 Cb 0.00 1.43 0.13 0.00 -1.01 0.00 0.00 64.21 64.75 2roh n SER 2 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2roh n PRO 3 N 1.69 -2.09 -4.33 1.43 -0.04 -1.26 -5.08 135.00 125.33 2roh n PRO 3 Ca 0.12 -0.87 -0.28 0.00 -0.04 0.00 0.00 63.50 62.42 2roh n PRO 3 Cb 0.61 -0.82 -0.11 0.00 -0.04 0.00 0.00 33.50 33.14 2roh n PRO 3 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2roh s PHE 4 N -1.99 2.50 0.05 0.54 0.08 -1.26 -5.14 117.98 112.76 2roh s PHE 4 Ca 0.36 -0.28 0.03 0.00 0.12 0.00 0.00 56.93 57.16 2roh s PHE 4 Cb -0.03 -1.29 -0.03 0.00 -0.57 0.00 0.00 43.02 41.10 2roh s PHE 4 CO 0.27 0.44 -0.09 0.00 -0.10 0.00 0.00 175.22 175.73 2roh s ALA 5 N -1.37 0.73 -0.54 5.36 0.00 -1.26 -5.12 121.76 119.55 2roh s ALA 5 Ca 0.20 -0.83 -0.08 0.00 0.00 0.00 0.00 51.96 51.25 2roh s ALA 5 Cb -0.10 0.01 0.14 0.00 0.00 0.00 0.00 23.12 23.17 2roh s ALA 5 CO 0.11 0.02 0.40 0.16 0.00 0.00 0.00 175.76 176.46 2roh s ASP 6 N -1.64 5.68 -0.42 0.00 -4.77 -1.26 -5.05 116.67 109.21 2roh s ASP 6 Ca -0.08 -2.24 -0.28 0.00 -3.30 0.00 0.00 52.55 46.66 2roh s ASP 6 Cb -0.10 -1.98 -0.01 0.00 -1.09 0.00 0.00 42.92 39.74 2roh s ASP 6 CO 0.01 -0.59 1.74 -2.16 0.70 0.00 0.00 175.17 174.87 2roh s PRO 7 N 0.87 3.18 0.47 2.11 0.04 -1.26 -4.98 135.00 135.43 2roh s PRO 7 Ca 0.10 1.11 -0.22 0.00 0.04 0.00 0.00 61.00 62.02 2roh s PRO 7 Cb -0.23 -4.22 -0.07 0.00 0.04 0.00 0.00 34.50 30.02 2roh s PRO 7 CO -0.03 -2.05 1.16 1.21 0.04 0.00 0.00 177.00 177.33 2roh s ASN 8 N 6.25 6.10 0.22 6.66 2.47 -1.26 -5.05 114.94 130.32 2roh s ASN 8 Ca 0.73 2.29 0.11 0.00 0.42 0.00 0.00 52.86 56.40 2roh s ASN 8 Cb -0.18 -2.60 -0.04 0.00 -1.45 0.00 0.00 41.25 36.98 2roh s ASN 8 CO 0.30 -0.97 -0.16 -0.94 -3.72 0.00 0.00 177.10 171.61 2roh s SER 9 N -1.42 3.86 -0.11 -4.21 1.04 -1.26 -5.14 113.70 106.46 2roh s SER 9 Ca 0.65 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2roh s SER 9 Cb -0.28 -0.48 -0.02 0.00 0.10 0.00 0.00 66.02 65.34 2roh s SER 9 CO 0.33 0.08 -0.12 -0.76 0.98 0.00 0.00 173.24 173.76 2roh s LEU 10 N -3.02 2.81 0.47 2.42 2.01 -1.26 -5.13 118.68 116.98 2roh s LEU 10 Ca 0.25 -0.25 0.08 0.00 0.01 0.00 0.00 54.13 54.22 2roh s LEU 10 Cb -0.07 -1.62 0.03 0.00 0.01 0.00 0.00 46.19 44.53 2roh s LEU 10 CO 0.14 0.22 0.57 0.00 1.01 0.00 0.00 176.35 178.29 2roh s ALA 11 N 0.01 4.46 0.53 4.21 0.00 -1.26 -5.14 121.76 124.58 2roh s ALA 11 Ca -0.03 -1.81 0.09 0.00 0.00 0.00 0.00 51.96 50.20 2roh s ALA 11 Cb -0.14 -1.35 0.06 0.00 0.00 0.00 0.00 23.12 21.68 2roh s ALA 11 CO 0.04 -0.43 0.66 -0.51 0.00 0.00 0.00 175.76 175.51 2roh s LEU 12 N -4.37 3.13 0.21 0.00 1.02 -1.26 -5.08 118.68 112.33 2roh s LEU 12 Ca 0.53 -0.85 0.00 0.00 0.02 0.00 0.00 54.13 53.83 2roh s LEU 12 Cb -0.07 -1.74 0.00 0.00 0.02 0.00 0.00 46.19 44.41 2roh s LEU 12 CO 0.32 -1.16 0.00 0.00 0.02 0.00 0.00 176.35 175.53 2roh n ALA 13 N -2.04 3.00 -2.45 4.21 0.00 -1.26 -5.13 120.51 116.83 2roh n ALA 13 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.40 2roh n ALA 13 Cb 0.62 0.09 -0.11 0.00 0.00 0.00 0.00 19.45 20.04 2roh n ALA 13 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2roh s ASN 14 N -5.29 1.50 0.18 0.00 0.01 -1.26 -5.16 114.94 104.92 2roh s ASN 14 Ca 0.00 -0.83 0.09 0.00 -0.71 0.00 0.00 52.86 51.40 2roh s ASN 14 Cb 0.00 0.01 -0.04 0.00 0.41 0.00 0.00 41.25 41.62 2roh s ASN 14 CO 0.00 -0.27 -0.07 0.68 -1.51 0.00 0.00 177.10 175.93 2roh s VAL 15 N -2.53 3.30 1.08 1.60 -7.23 -1.26 -5.13 120.40 110.22 2roh s VAL 15 Ca 0.07 -1.63 -0.15 0.00 -1.81 0.00 0.00 61.98 58.46 2roh s VAL 15 Cb -0.02 -2.65 0.23 0.00 0.56 0.00 0.00 36.38 34.50 2roh s VAL 15 CO 0.00 -0.12 1.10 -2.16 -0.31 0.00 0.00 175.10 173.60 2roh s PRO 16 N -2.90 -0.19 0.18 4.82 0.04 -1.26 -5.09 135.00 130.60 2roh s PRO 16 Ca 0.26 0.30 0.01 0.00 0.04 0.00 0.00 61.00 61.61 2roh s PRO 16 Cb -0.09 -1.68 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 2roh s PRO 16 CO 0.16 -3.10 0.02 -0.51 0.04 0.00 0.00 177.00 173.61 2roh s LEU 17 N -6.64 1.99 0.27 -3.56 1.43 -1.26 -5.17 118.68 105.73 2roh s LEU 17 Ca 0.67 -1.21 0.07 0.00 -1.03 0.00 0.00 54.13 52.64 2roh s LEU 17 Cb -0.16 0.01 -0.06 0.00 0.03 0.00 0.00 46.19 46.02 2roh s LEU 17 CO 0.57 -0.62 -0.09 -0.55 0.23 0.00 0.00 176.35 175.90 2roh s SER 18 N -3.17 2.82 -0.27 2.29 0.15 -1.26 -5.15 113.70 109.10 2roh s SER 18 Ca 0.26 -1.15 -0.27 0.00 0.70 0.00 0.00 55.95 55.50 2roh s SER 18 Cb 0.06 -0.18 0.16 0.00 -1.71 0.00 0.00 66.02 64.36 2roh s SER 18 CO 0.05 -0.28 1.25 -0.60 1.20 0.00 0.00 173.24 174.86 2roh s ARG 19 N -3.69 0.26 -0.19 5.44 3.52 -1.26 -5.18 118.95 117.85 2roh s ARG 19 Ca 0.28 0.21 -0.28 0.00 -0.13 0.00 0.00 55.73 55.82 2roh s ARG 19 Cb 0.02 0.12 0.09 0.00 -1.56 0.00 0.00 34.95 33.63 2roh s ARG 19 CO 0.11 -0.05 0.83 -1.54 -0.81 0.00 0.00 175.30 173.84 2roh s SER 20 N -0.29 -0.58 0.22 -2.12 1.04 -1.26 -5.18 113.70 105.52 2roh s SER 20 Ca 0.05 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.39 2roh s SER 20 Cb -0.04 0.85 -0.04 0.00 0.10 0.00 0.00 66.02 66.89 2roh s SER 20 CO -0.09 -0.35 0.16 -0.54 0.98 0.00 0.00 173.24 173.40 2roh s LYS 21 N -0.39 1.29 0.05 4.02 1.02 -1.26 -5.18 119.74 119.29 2roh s LYS 21 Ca -0.03 -1.68 -0.27 0.00 0.02 0.00 0.00 55.97 54.02 2roh s LYS 21 Cb -0.03 0.28 0.08 0.00 -0.52 0.00 0.00 37.83 37.65 2roh s LYS 21 CO 0.02 -0.43 0.72 -0.98 -0.92 0.00 0.00 175.35 173.76 2roh s ARG 22 N -4.05 1.06 1.09 1.68 3.03 -1.26 -5.18 118.95 115.32 2roh s ARG 22 Ca 0.39 -0.25 -0.15 0.00 2.03 0.00 0.00 55.73 57.75 2roh s ARG 22 Cb 0.06 0.49 0.23 0.00 -1.03 0.00 0.00 34.95 34.70 2roh s ARG 22 CO 0.14 -0.44 1.10 -1.25 -1.13 0.00 0.00 175.30 173.73 2roh s PRO 23 N -2.94 -0.28 -0.01 3.89 0.04 -1.26 -4.82 135.00 129.62 2roh s PRO 23 Ca -0.00 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.32 2roh s PRO 23 Cb -0.01 -1.68 0.02 0.00 0.04 0.00 0.00 34.50 32.87 2roh s PRO 23 CO -0.07 -3.16 0.01 -0.51 0.04 0.00 0.00 177.00 173.32 2roh s ASP 24 N -3.61 0.06 -0.30 6.66 1.01 -1.26 -4.48 116.67 114.76 2roh s ASP 24 Ca 0.68 0.02 -0.12 0.00 0.71 0.00 0.00 52.55 53.84 2roh s ASP 24 Cb -0.15 -0.04 0.15 0.00 1.01 0.00 0.00 42.92 43.89 2roh s ASP 24 CO 0.57 -0.07 0.82 0.72 0.21 0.00 0.00 175.17 177.43 2roh s PHE 25 N 0.57 -1.02 0.00 4.23 -0.71 -1.26 -4.99 117.98 114.80 2roh s PHE 25 Ca -0.05 1.64 0.00 0.00 -1.04 0.00 0.00 56.93 57.49 2roh s PHE 25 Cb -0.07 0.57 0.00 0.00 -1.21 0.00 0.00 43.02 42.31 2roh s PHE 25 CO -0.02 -0.51 0.00 0.41 -1.34 0.00 0.00 175.22 173.76 2roh n GLY 26 N 5.23 2.13 2.79 1.99 0.00 -1.26 -5.01 105.19 111.06 2roh n GLY 26 Ca -0.09 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 2roh n GLY 26 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2roh n GLN 27 N 0.00 -4.07 -0.36 1.61 1.13 -1.26 -4.88 117.38 109.55 2roh n GLN 27 Ca 0.00 0.76 0.02 0.00 -1.94 0.00 0.00 57.00 55.83 2roh n GLN 27 Cb 0.00 -5.29 0.02 0.00 0.11 0.00 0.00 30.24 25.09 2roh n GLN 27 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2roh n ARG 28 N -3.46 0.30 -4.20 -1.09 3.00 -1.26 -5.01 116.66 104.94 2roh n ARG 28 Ca -0.09 -1.24 -0.30 0.00 -0.01 0.00 0.00 57.85 56.21 2roh n ARG 28 Cb 0.60 -0.69 -0.09 0.00 0.00 0.00 0.00 32.46 32.28 2roh n ARG 28 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2roh n ARG 29 N -0.26 -0.93 -3.20 5.56 1.85 -1.26 -4.83 116.66 113.60 2roh n ARG 29 Ca 0.03 0.09 -0.45 0.00 -1.00 0.00 0.00 57.85 56.52 2roh n ARG 29 Cb 0.66 -3.41 0.00 0.00 -1.05 0.00 0.00 32.46 28.66 2roh n ARG 29 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2roh n ILE 30 N -4.28 4.47 -3.24 8.89 2.08 -1.26 -4.89 119.36 121.14 2roh n ILE 30 Ca -0.27 -5.16 0.04 0.00 0.56 0.00 0.00 62.75 57.91 2roh n ILE 30 Cb 0.63 -2.54 -0.04 0.00 -0.75 0.00 0.00 39.64 36.93 2roh n ILE 30 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2roh s ARG 31 N -0.32 0.02 0.27 0.38 3.03 -1.26 -4.97 118.95 116.09 2roh s ARG 31 Ca 0.35 0.04 0.11 0.00 2.03 0.00 0.00 55.73 58.25 2roh s ARG 31 Cb -0.07 0.02 -0.05 0.00 -1.03 0.00 0.00 34.95 33.82 2roh s ARG 31 CO -0.05 -0.01 -0.10 1.03 -1.13 0.00 0.00 175.30 175.05 2roh s ARG 32 N 1.87 2.01 -0.19 3.89 1.81 -1.26 -5.09 118.95 122.00 2roh s ARG 32 Ca -0.01 -1.56 -0.29 0.00 -1.72 0.00 0.00 55.73 52.15 2roh s ARG 32 Cb -0.01 -1.99 -0.03 0.00 -0.45 0.00 0.00 34.95 32.47 2roh s ARG 32 CO -0.15 0.35 1.59 -1.25 -0.68 0.00 0.00 175.30 175.16 2roh s PRO 33 N -3.54 3.91 0.31 3.54 0.04 -1.26 -5.01 135.00 133.00 2roh s PRO 33 Ca 0.30 1.75 0.10 0.00 0.04 0.00 0.00 61.00 63.19 2roh s PRO 33 Cb -0.06 -4.00 -0.05 0.00 0.04 0.00 0.00 34.50 30.43 2roh s PRO 33 CO 0.17 -1.16 -0.04 -0.06 0.04 0.00 0.00 177.00 175.96 2roh s PHE 34 N 4.82 2.52 -0.04 0.56 0.08 -1.26 -5.13 117.98 119.53 2roh s PHE 34 Ca 0.70 -0.37 -0.13 0.00 0.12 0.00 0.00 56.93 57.24 2roh s PHE 34 Cb -0.26 -1.33 -0.05 0.00 -0.57 0.00 0.00 43.02 40.81 2roh s PHE 34 CO 0.28 0.56 0.35 0.99 -0.10 0.00 0.00 175.22 177.30 2roh s THR 35 N -2.48 5.14 0.36 0.64 2.01 -1.26 -4.96 115.64 115.09 2roh s THR 35 Ca 0.33 0.70 0.12 0.00 0.31 0.00 0.00 61.69 63.16 2roh s THR 35 Cb -0.02 -3.65 0.34 0.00 0.01 0.00 0.00 72.50 69.18 2roh s THR 35 CO 0.18 0.57 1.79 1.62 -0.69 0.00 0.00 174.62 178.09 2roh h VAL 36 N 3.86 0.63 -0.05 3.82 3.04 -1.98 0.22 116.25 125.78 2roh h VAL 36 Ca -0.51 -0.19 -0.07 0.00 -1.01 0.00 0.00 66.70 64.91 2roh h VAL 36 Cb 1.22 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 2roh h VAL 36 CO 0.62 0.10 -0.24 0.00 -1.01 0.00 0.00 177.57 177.04 2roh h ALA 37 N 1.64 0.10 -0.09 3.17 0.00 -1.98 -1.27 119.26 120.83 2roh h ALA 37 Ca 0.57 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2roh h ALA 37 Cb 1.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2roh h ALA 37 CO -0.32 0.10 0.04 0.93 0.00 0.00 0.00 179.25 180.00 2roh h GLU 38 N -0.27 0.08 -0.66 0.00 3.07 -1.60 -0.71 114.58 114.49 2roh h GLU 38 Ca -0.02 -0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 2roh h GLU 38 Cb 0.90 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.76 2roh h GLU 38 CO 0.05 0.05 0.08 0.28 -1.40 0.00 0.00 179.01 178.08 2roh h VAL 39 N 0.08 1.26 0.23 3.13 2.07 -0.72 -1.09 116.25 121.21 2roh h VAL 39 Ca 0.04 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 2roh h VAL 39 Cb 0.01 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2roh h VAL 39 CO -0.03 0.40 -0.13 -0.33 0.02 0.00 0.00 177.57 177.50 2roh h GLU 40 N 1.02 -0.33 -0.16 1.57 5.08 -0.94 0.18 114.58 121.00 2roh h GLU 40 Ca 0.20 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2roh h GLU 40 Cb 0.47 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2roh h GLU 40 CO 0.02 -0.22 0.08 -0.07 -1.00 0.00 0.00 179.01 177.82 2roh h LEU 41 N -0.34 0.21 0.25 1.33 3.38 -1.09 0.26 115.31 119.31 2roh h LEU 41 Ca -0.02 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2roh h LEU 41 Cb 0.28 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2roh h LEU 41 CO 0.03 0.26 -0.24 0.25 0.09 0.00 0.00 178.44 178.82 2roh h LEU 42 N 0.14 -0.65 -1.67 1.67 5.85 -1.08 0.48 115.31 120.04 2roh h LEU 42 Ca 0.06 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 2roh h LEU 42 Cb 0.10 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2roh h LEU 42 CO -0.01 -0.36 -0.19 0.58 -0.34 0.00 0.00 178.44 178.13 2roh h VAL 43 N -0.52 0.98 0.00 1.05 2.07 -0.59 -1.96 116.25 117.27 2roh h VAL 43 Ca -0.01 -0.69 -0.11 0.00 0.82 0.00 0.00 66.70 66.71 2roh h VAL 43 Cb 0.48 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2roh h VAL 43 CO -0.05 0.19 -0.55 -0.08 0.02 0.00 0.00 177.57 177.10 2roh h GLU 44 N 0.00 0.00 -0.00 1.57 4.81 0.23 -1.56 114.58 119.63 2roh h GLU 44 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2roh h GLU 44 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2roh h GLU 44 CO 0.02 0.55 -0.10 0.00 -0.73 0.00 0.00 179.01 178.75 2roh h ALA 45 N 1.45 0.02 -0.06 2.92 0.00 -0.17 -1.99 119.26 121.44 2roh h ALA 45 Ca -0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 2roh h ALA 45 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2roh h ALA 45 CO 0.07 -0.03 -0.41 -0.24 0.00 0.00 0.00 179.25 178.64 2roh h VAL 46 N -0.64 1.31 -0.06 0.00 3.04 -1.51 -3.14 116.25 115.24 2roh h VAL 46 Ca -0.01 -1.47 -0.05 0.00 -1.01 0.00 0.00 66.70 64.16 2roh h VAL 46 Cb 0.85 1.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.85 2roh h VAL 46 CO 0.02 0.43 -0.15 -0.33 -1.01 0.00 0.00 177.57 176.53 2roh h GLU 47 N 0.11 0.20 -0.69 4.17 3.07 -1.35 0.41 114.58 120.51 2roh h GLU 47 Ca 0.01 -0.14 0.20 0.00 -0.50 0.00 0.00 59.36 58.93 2roh h GLU 47 Cb 0.78 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.68 2roh h GLU 47 CO 0.06 0.75 0.57 0.45 -1.40 0.00 0.00 179.01 179.44 2roh h HIS 48 N -0.31 0.00 0.00 4.33 3.86 -1.31 0.26 115.15 121.97 2roh h HIS 48 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2roh h HIS 48 Cb 0.75 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.22 2roh h HIS 48 CO 0.12 0.00 -0.83 1.28 0.86 0.00 0.00 177.93 179.36 2roh n LEU 49 N -4.02 0.57 0.00 2.43 4.77 -1.17 -5.04 117.00 114.53 2roh n LEU 49 Ca 0.14 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2roh n LEU 49 Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 2roh n LEU 49 CO 0.34 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2roh n GLY 50 N 1.39 0.76 1.92 -0.72 0.00 0.14 -1.57 105.19 107.12 2roh n GLY 50 Ca 0.02 0.51 -0.22 0.00 0.00 0.00 0.00 46.02 46.33 2roh n GLY 50 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2roh n THR 51 N 0.00 3.05 0.00 2.61 5.66 -1.26 -4.69 114.28 119.65 2roh n THR 51 Ca 0.00 -2.81 0.00 0.00 -3.05 0.00 0.00 64.05 58.19 2roh n THR 51 Cb 0.00 -0.73 0.00 0.00 -1.55 0.00 0.00 70.33 68.05 2roh n THR 51 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2roh n GLY 52 N -1.01 -0.34 2.93 1.09 0.00 -0.61 -5.04 105.19 102.21 2roh n GLY 52 Ca 0.51 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 0.30 0.38 1.61 1.81 -1.26 -5.03 118.95 116.76 2roh s ARG 53 Ca 0.00 -0.12 0.12 0.00 -1.72 0.00 0.00 55.73 54.01 2roh s ARG 53 Cb 0.00 -0.30 0.92 0.00 -0.45 0.00 0.00 34.95 35.12 2roh s ARG 53 CO 0.00 0.07 1.86 0.11 -0.68 0.00 0.00 175.30 176.66 2roh h TRP 54 N 6.11 0.72 0.00 -0.53 0.09 -1.96 0.32 115.95 120.70 2roh h TRP 54 Ca -0.27 0.02 -0.06 0.00 0.09 0.00 0.00 58.89 58.67 2roh h TRP 54 Cb 1.19 -0.22 -0.01 0.00 0.08 0.00 0.00 29.16 30.20 2roh h TRP 54 CO 0.41 0.23 -0.28 -0.09 0.09 0.00 0.00 178.44 178.80 2roh h ARG 55 N 0.57 0.00 -0.03 0.12 2.43 -1.96 -2.29 114.38 113.22 2roh h ARG 55 Ca 0.46 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.43 2roh h ARG 55 Cb 0.91 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2roh h ARG 55 CO -0.21 0.28 -0.83 0.22 -1.51 0.00 0.00 179.97 177.92 2roh h ASP 56 N 0.00 0.43 0.28 -3.80 1.82 -0.78 -2.05 116.42 112.31 2roh h ASP 56 Ca -0.00 -0.31 -0.19 0.00 -0.39 0.00 0.00 57.03 56.13 2roh h ASP 56 Cb 0.62 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.50 2roh h ASP 56 CO 0.04 1.08 -0.76 -0.37 -1.61 0.00 0.00 179.24 177.62 2roh h VAL 57 N 0.21 1.39 -0.01 2.25 -1.51 -1.13 -0.10 116.25 117.35 2roh h VAL 57 Ca -0.05 -2.20 -0.18 0.00 -1.23 0.00 0.00 66.70 63.04 2roh h VAL 57 Cb 1.43 2.17 -0.01 0.00 -2.13 0.00 0.00 31.29 32.75 2roh h VAL 57 CO 0.14 0.66 -0.81 0.07 -1.23 0.00 0.00 177.57 176.39 2roh h LYS 58 N 0.26 0.19 0.00 5.19 2.10 -1.44 0.20 116.57 123.08 2roh h LYS 58 Ca -0.04 -0.19 -0.19 0.00 -2.00 0.00 0.00 60.65 58.24 2roh h LYS 58 Cb 1.35 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 32.70 2roh h LYS 58 CO 0.13 0.90 -1.03 0.35 -2.00 0.00 0.00 179.45 177.80 2roh h PHE 59 N 0.11 0.00 0.00 0.07 3.57 -1.35 -3.23 116.94 116.11 2roh h PHE 59 Ca -0.03 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.21 2roh h PHE 59 Cb 1.42 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.11 2roh h PHE 59 CO 0.03 0.82 -1.53 -0.09 -2.23 0.00 0.00 178.31 175.30 2roh h ARG 60 N 0.00 0.00 0.13 1.11 2.43 -1.01 -3.38 114.38 113.66 2roh h ARG 60 Ca -0.07 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2roh h ARG 60 Cb 1.68 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.19 2roh h ARG 60 CO 0.09 0.51 -0.51 0.00 -1.51 0.00 0.00 179.97 178.56 2roh h ALA 61 N 1.10 -0.94 0.00 2.80 0.00 -0.69 -3.45 119.26 118.07 2roh h ALA 61 Ca -0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2roh h ALA 61 Cb 1.88 0.86 0.00 0.00 0.00 0.00 0.00 17.79 20.53 2roh h ALA 61 CO 0.08 -1.10 0.00 1.19 0.00 0.00 0.00 179.25 179.42 2roh n PHE 62 N -5.49 0.00 -1.17 0.00 3.72 -1.26 -4.99 117.46 108.28 2roh n PHE 62 Ca -0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.26 2roh n PHE 62 Cb 0.41 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.93 2roh n PHE 62 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2roh n GLU 63 N -1.12 -1.34 0.00 -1.08 2.13 -1.22 -4.72 120.64 113.29 2roh n GLU 63 Ca 0.00 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.44 2roh n GLU 63 Cb 0.00 -4.76 0.00 0.00 0.27 0.00 0.00 31.44 26.95 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 -0.67 3.92 -4.26 4.31 5.15 -1.26 -5.08 115.26 117.38 2roh n ASN 64 Ca -0.06 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.58 2roh n ASN 64 Cb 0.43 0.40 0.12 0.00 -0.53 0.00 0.00 39.78 40.20 2roh n ASN 64 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 2roh n VAL 65 N -1.66 0.00 -0.02 3.44 3.14 -1.26 -4.97 118.33 117.00 2roh n VAL 65 Ca 0.00 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 2roh n VAL 65 Cb 0.38 -0.47 0.00 0.00 -1.06 0.00 0.00 33.84 32.69 2roh n VAL 65 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 2roh n HIS 66 N -3.77 -1.69 -1.65 1.45 -0.00 -1.26 -4.77 115.22 103.53 2roh n HIS 66 Ca 0.02 0.00 -0.56 0.00 0.46 0.00 0.00 57.72 57.65 2roh n HIS 66 Cb 0.60 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.40 2roh n HIS 66 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2roh n HIS 67 N -2.28 1.77 -3.29 1.57 -0.00 -1.26 -4.94 115.22 106.78 2roh n HIS 67 Ca 0.00 0.62 -0.04 0.00 0.46 0.00 0.00 57.72 58.76 2roh n HIS 67 Cb 0.00 -2.39 -0.05 0.00 -0.12 0.00 0.00 29.99 27.43 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 2.12 0.43 0.06 1.57 1.81 -1.26 -5.15 118.95 118.53 2roh s ARG 68 Ca 0.92 0.74 -0.25 0.00 -1.72 0.00 0.00 55.73 55.43 2roh s ARG 68 Cb -1.04 -0.05 -0.06 0.00 -0.45 0.00 0.00 34.95 33.36 2roh s ARG 68 CO 0.58 -0.61 0.77 0.99 -0.68 0.00 0.00 175.30 176.35 2roh s THR 69 N 2.67 4.70 0.28 0.02 2.01 -1.26 -4.95 115.64 119.11 2roh s THR 69 Ca 0.15 1.64 0.02 0.00 0.31 0.00 0.00 61.69 63.81 2roh s THR 69 Cb -0.15 -4.12 0.28 0.00 0.01 0.00 0.00 72.50 68.53 2roh s THR 69 CO -0.18 0.38 1.68 0.10 -0.69 0.00 0.00 174.62 175.91 2roh h TYR 70 N 5.56 0.52 -0.58 4.92 -0.00 -1.97 0.33 116.97 125.75 2roh h TYR 70 Ca -0.44 0.04 -0.06 0.00 0.00 0.00 0.00 58.73 58.27 2roh h TYR 70 Cb 1.21 -0.09 -0.03 0.00 0.00 0.00 0.00 36.73 37.82 2roh h TYR 70 CO 0.65 -0.09 0.11 -0.24 -0.00 0.00 0.00 178.16 178.59 2roh h VAL 71 N 0.33 1.24 -0.76 -0.90 3.04 -1.93 -2.62 116.25 114.66 2roh h VAL 71 Ca 0.54 -0.91 -0.04 0.00 -1.01 0.00 0.00 66.70 65.27 2roh h VAL 71 Cb 1.02 0.68 -0.03 0.00 -2.01 0.00 0.00 31.29 30.95 2roh h VAL 71 CO -0.56 0.34 0.32 -0.78 -1.01 0.00 0.00 177.57 175.88 2roh h ASP 72 N 0.87 1.04 0.53 3.17 3.58 -0.77 0.25 116.42 125.09 2roh h ASP 72 Ca 0.18 -0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 2roh h ASP 72 Cb 0.36 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.14 2roh h ASP 72 CO 0.00 0.92 -0.25 -0.07 -2.88 0.00 0.00 179.24 176.96 2roh h LEU 73 N 1.09 -0.60 -0.89 2.28 4.07 -0.98 0.26 115.31 120.53 2roh h LEU 73 Ca 0.25 -0.02 -0.05 0.00 0.08 0.00 0.00 57.88 58.14 2roh h LEU 73 Cb 0.20 0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 2roh h LEU 73 CO -0.02 -0.37 0.20 0.50 -1.08 0.00 0.00 178.44 177.67 2roh h LYS 74 N -0.80 1.01 -0.55 1.13 3.64 -1.42 -1.94 116.57 117.65 2roh h LYS 74 Ca -0.07 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.01 2roh h LYS 74 Cb 0.58 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2roh h LYS 74 CO 0.12 0.87 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.72 2roh h ASP 75 N 0.98 0.92 -0.38 4.20 5.19 -0.38 -2.28 116.42 124.66 2roh h ASP 75 Ca 0.22 -0.25 -0.06 0.00 -0.62 0.00 0.00 57.03 56.32 2roh h ASP 75 Cb 0.29 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 2roh h ASP 75 CO -0.01 0.98 0.02 0.50 -3.12 0.00 0.00 179.24 177.62 2roh h LYS 76 N 0.87 0.67 0.16 3.56 1.63 -0.13 -0.19 116.57 123.13 2roh h LYS 76 Ca 0.16 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2roh h LYS 76 Cb 0.53 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.09 2roh h LYS 76 CO 0.03 0.75 -0.08 2.35 -3.45 0.00 0.00 179.45 179.04 2roh h TRP 77 N 0.49 -0.22 -0.50 1.91 7.01 -1.23 0.25 115.95 123.67 2roh h TRP 77 Ca 0.11 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 2roh h TRP 77 Cb 0.44 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 2roh h TRP 77 CO 0.03 -0.13 0.25 -0.22 -2.79 0.00 0.00 178.44 175.57 2roh h LYS 78 N -0.23 0.72 0.16 2.65 3.64 -1.39 -1.50 116.57 120.62 2roh h LYS 78 Ca -0.02 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 2roh h LYS 78 Cb 0.18 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2roh h LYS 78 CO 0.03 0.60 -0.07 1.15 -2.27 0.00 0.00 179.45 178.88 2roh h THR 79 N 0.67 0.90 -0.35 1.00 2.02 -0.84 -2.04 112.91 114.26 2roh h THR 79 Ca 0.17 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.20 2roh h THR 79 Cb 0.11 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2roh h THR 79 CO -0.02 0.05 0.24 0.17 0.37 0.00 0.00 175.52 176.33 2roh h LEU 80 N -0.31 0.19 -0.22 2.58 8.10 -0.41 -1.79 115.31 123.45 2roh h LEU 80 Ca -0.02 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.91 2roh h LEU 80 Cb 0.24 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.42 2roh h LEU 80 CO 0.04 0.12 -0.07 0.58 -4.11 0.00 0.00 178.44 175.00 2roh h VAL 81 N 0.22 1.29 -0.80 0.15 2.07 -0.87 -0.22 116.25 118.09 2roh h VAL 81 Ca 0.16 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 2roh h VAL 81 Cb 0.34 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2roh h VAL 81 CO -0.03 0.34 0.37 -0.74 0.02 0.00 0.00 177.57 177.53 2roh h HIS 82 N 0.16 1.16 0.00 1.57 -0.00 -0.66 -0.32 115.15 117.07 2roh h HIS 82 Ca 0.05 -0.06 -0.12 0.00 -0.00 0.00 0.00 60.37 60.24 2roh h HIS 82 Cb 0.54 -0.36 -0.02 0.00 -0.00 0.00 0.00 27.41 27.58 2roh h HIS 82 CO 0.06 0.85 -0.59 1.15 -0.00 0.00 0.00 177.93 179.40 2roh h THR 83 N 1.14 1.36 -0.00 6.26 2.02 -1.30 -0.43 112.91 121.95 2roh h THR 83 Ca 0.27 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.38 2roh h THR 83 Cb 0.14 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2roh h THR 83 CO -0.03 0.58 -0.20 0.00 0.37 0.00 0.00 175.52 176.24 2roh n ALA 84 N -2.40 2.85 -0.10 6.16 0.00 -0.10 -3.84 120.51 123.09 2roh n ALA 84 Ca -0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 2roh n ALA 84 Cb 0.61 -1.32 -0.12 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.39 1.63 -3.62 0.00 2.88 -0.17 -4.98 113.62 107.97 2roh n SER 85 Ca 0.08 -0.06 -0.25 0.00 -1.33 0.00 0.00 58.87 57.31 2roh n SER 85 Cb 0.33 0.22 0.22 0.00 -0.75 0.00 0.00 64.21 64.23 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 -2.91 0.00 -0.81 2.46 -5.35 -0.19 -4.82 119.36 107.74 2roh n ILE 86 Ca -0.34 -0.10 -0.33 0.00 -0.27 0.00 0.00 62.75 61.72 2roh n ILE 86 Cb 0.97 -0.74 0.12 0.00 -1.74 0.00 0.00 39.64 38.26 2roh n ILE 86 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2roh n ALA 87 N -5.01 -2.88 -0.06 -1.28 0.00 -1.26 -4.81 120.51 105.21 2roh n ALA 87 Ca 0.08 -0.64 -0.13 0.00 0.00 0.00 0.00 53.44 52.74 2roh n ALA 87 Cb 0.49 -1.74 -0.07 0.00 0.00 0.00 0.00 19.45 18.13 2roh n ALA 87 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2roh h PRO 88 N -1.54 0.38 -0.03 0.00 0.13 -1.93 -2.70 132.00 126.31 2roh h PRO 88 Ca -0.44 -0.20 0.01 0.00 -0.87 0.00 0.00 66.00 64.50 2roh h PRO 88 Cb 1.29 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2roh h PRO 88 CO 0.34 0.76 0.06 -0.56 -0.23 0.00 0.00 178.00 178.36 2roh h GLN 89 N 0.01 0.00 0.00 0.86 3.07 -2.00 -0.38 115.11 116.67 2roh h GLN 89 Ca 0.02 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.52 2roh h GLN 89 Cb 0.69 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.21 2roh h GLN 89 CO 0.04 0.00 -1.36 1.96 0.09 0.00 0.00 178.83 179.56 2roh h GLN 90 N 0.00 0.00 -1.63 0.06 1.08 -1.88 -3.34 115.11 109.40 2roh h GLN 90 Ca 0.01 0.00 -0.74 0.00 -1.45 0.00 0.00 58.65 56.48 2roh h GLN 90 Cb 0.13 0.00 -0.28 0.00 -0.05 0.00 0.00 27.48 27.28 2roh h GLN 90 CO -0.00 0.72 1.00 2.89 -0.95 0.00 0.00 178.83 182.49 2roh n ARG 91 N -3.18 2.73 -3.32 1.46 1.85 -0.16 -4.82 116.66 111.21 2roh n ARG 91 Ca -0.09 -3.43 -0.41 0.00 -1.00 0.00 0.00 57.85 52.92 2roh n ARG 91 Cb 0.99 -2.28 -0.02 0.00 -1.05 0.00 0.00 32.46 30.11 2roh n ARG 91 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2roh n ARG 92 N -0.68 3.55 0.00 2.89 0.00 -1.18 -4.97 116.66 116.27 2roh n ARG 92 Ca 0.57 -4.51 0.00 0.00 -0.00 0.00 0.00 57.85 53.92 2roh n ARG 92 Cb 0.39 -2.49 0.00 0.00 0.00 0.00 0.00 32.46 30.36 2roh n ARG 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2roh n GLY 93 N 2.07 4.32 3.72 5.14 0.00 -1.26 -5.11 105.19 114.07 2roh n GLY 93 Ca 0.24 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.27 1.81 -0.62 4.61 0.00 -1.26 -4.89 121.76 119.13 2roh s ALA 94 Ca 0.00 0.38 -0.26 0.00 0.00 0.00 0.00 51.96 52.07 2roh s ALA 94 Cb 0.00 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 2roh s ALA 94 CO 0.00 -2.28 1.87 -1.25 0.00 0.00 0.00 175.76 174.09 2roh s PRO 95 N -4.79 2.62 0.22 0.00 0.04 -1.26 -4.97 135.00 126.86 2roh s PRO 95 Ca 0.64 0.57 0.11 0.00 0.04 0.00 0.00 61.00 62.36 2roh s PRO 95 Cb -0.20 -4.42 -0.05 0.00 0.04 0.00 0.00 34.50 29.88 2roh s PRO 95 CO 0.57 -2.77 -0.22 0.14 0.04 0.00 0.00 177.00 174.77 2roh s VAL 96 N 9.14 2.32 0.15 -0.36 -7.23 -1.26 -5.09 120.40 118.07 2roh s VAL 96 Ca 0.67 -2.14 -0.31 0.00 -1.81 0.00 0.00 61.98 58.40 2roh s VAL 96 Cb -0.12 -2.15 -0.08 0.00 0.56 0.00 0.00 36.38 34.59 2roh s VAL 96 CO 0.20 -0.23 1.34 -2.16 -0.31 0.00 0.00 175.10 173.93 2roh s PRO 97 N -2.96 4.36 0.42 4.82 0.04 -1.26 -4.92 135.00 135.50 2roh s PRO 97 Ca 0.23 2.04 0.12 0.00 0.04 0.00 0.00 61.00 63.43 2roh s PRO 97 Cb -0.07 -3.23 0.91 0.00 0.04 0.00 0.00 34.50 32.15 2roh s PRO 97 CO 0.11 -0.34 1.97 1.96 0.04 0.00 0.00 177.00 180.74 2roh h GLN 98 N 6.18 0.15 -0.75 4.56 4.20 -2.01 -2.34 115.11 125.11 2roh h GLN 98 Ca -0.43 -0.03 0.16 0.00 0.06 0.00 0.00 58.65 58.41 2roh h GLN 98 Cb 1.21 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.92 2roh h GLN 98 CO 0.82 0.27 0.51 1.05 -0.67 0.00 0.00 178.83 180.81 2roh h GLU 99 N 0.15 0.36 -0.66 1.46 4.11 -1.98 0.44 114.58 118.45 2roh h GLU 99 Ca 0.03 -0.02 -0.08 0.00 0.07 0.00 0.00 59.36 59.37 2roh h GLU 99 Cb 0.29 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2roh h GLU 99 CO 0.02 0.24 0.12 -0.07 0.07 0.00 0.00 179.01 179.38 2roh h LEU 100 N 0.37 1.03 -0.43 3.06 -0.00 -1.82 0.15 115.31 117.67 2roh h LEU 100 Ca 0.37 -0.24 -0.15 0.00 -0.00 0.00 0.00 57.88 57.86 2roh h LEU 100 Cb 0.92 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 41.28 2roh h LEU 100 CO -0.11 1.02 -0.73 -0.07 -0.00 0.00 0.00 178.44 178.54 2roh h LEU 101 N 1.01 0.00 -0.07 1.67 -0.00 -1.09 -2.16 115.31 114.67 2roh h LEU 101 Ca 0.20 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.85 2roh h LEU 101 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 2roh h LEU 101 CO 0.01 0.73 -1.04 -0.78 -0.00 0.00 0.00 178.44 177.36 2roh h ASP 102 N 0.00 0.34 0.50 -0.43 3.58 -0.80 -2.00 116.42 117.60 2roh h ASP 102 Ca -0.01 -0.31 -0.22 0.00 0.42 0.00 0.00 57.03 56.91 2roh h ASP 102 Cb 1.36 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.30 2roh h ASP 102 CO 0.10 1.18 -0.94 0.08 -2.88 0.00 0.00 179.24 176.78 2roh h ARG 103 N 0.10 0.28 0.01 0.28 -0.00 -0.71 -1.32 114.38 113.03 2roh h ARG 103 Ca -0.08 -0.32 -0.25 0.00 -0.00 0.00 0.00 59.98 59.32 2roh h ARG 103 Cb 1.73 0.10 0.02 0.00 -0.00 0.00 0.00 29.97 31.82 2roh h ARG 103 CO 0.17 1.04 -0.99 -0.39 -0.00 0.00 0.00 179.97 179.79 2roh h VAL 104 N 0.15 1.30 -0.17 0.08 -1.51 -1.45 -2.00 116.25 112.67 2roh h VAL 104 Ca -0.07 -2.24 -0.14 0.00 -1.23 0.00 0.00 66.70 63.03 2roh h VAL 104 Cb 1.58 2.45 0.00 0.00 -2.13 0.00 0.00 31.29 33.19 2roh h VAL 104 CO 0.15 0.69 -0.44 -0.07 -1.23 0.00 0.00 177.57 176.67 2roh h LEU 105 N 0.30 0.67 -0.26 4.19 3.38 -1.43 -0.95 115.31 121.21 2roh h LEU 105 Ca -0.13 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 57.23 2roh h LEU 105 Cb 1.66 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 2roh h LEU 105 CO 0.19 1.13 0.05 0.00 0.09 0.00 0.00 178.44 179.90 2roh h ALA 106 N 0.56 0.35 -0.34 1.53 0.00 -1.33 -2.03 119.26 118.00 2roh h ALA 106 Ca -0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2roh h ALA 106 Cb 1.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2roh h ALA 106 CO 0.09 0.03 -0.22 0.00 0.00 0.00 0.00 179.25 179.16 2roh h ALA 107 N 0.87 0.98 0.16 0.00 0.00 -1.42 -0.10 119.26 119.75 2roh h ALA 107 Ca 0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2roh h ALA 107 Cb 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2roh h ALA 107 CO 0.00 0.60 -0.07 0.37 0.00 0.00 0.00 179.25 180.15 2roh h GLN 108 N 0.58 -0.20 0.00 0.00 -0.00 -1.03 -1.62 115.11 112.84 2roh h GLN 108 Ca 0.09 0.01 -0.10 0.00 -0.00 0.00 0.00 58.65 58.65 2roh h GLN 108 Cb 0.68 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.20 2roh h GLN 108 CO 0.05 -0.05 -0.45 0.00 0.00 0.00 0.00 178.83 178.38 2roh h ALA 109 N 0.52 1.10 -0.45 3.38 0.00 -1.34 -2.69 119.26 119.77 2roh h ALA 109 Ca -0.02 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 2roh h ALA 109 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2roh h ALA 109 CO 0.04 0.57 0.08 1.88 0.00 0.00 0.00 179.25 181.81 2roh h TYR 110 N 0.00 0.80 0.00 0.00 -1.99 -0.76 -2.58 116.97 112.44 2roh h TYR 110 Ca -0.00 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 60.62 2roh h TYR 110 Cb 0.89 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.40 2roh h TYR 110 CO 0.00 0.75 0.00 -1.49 -0.00 0.00 0.00 178.16 177.42 2roh h TRP 111 N 0.62 0.00 -1.69 4.88 -0.00 -1.23 -3.44 115.95 115.10 2roh h TRP 111 Ca 0.14 0.00 -0.58 0.00 -0.00 0.00 0.00 58.89 58.45 2roh h TRP 111 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.53 2roh h TRP 111 CO 0.03 0.00 1.52 0.45 -0.00 0.00 0.00 178.44 180.43 2roh n SER 112 N -2.93 2.78 -0.01 -3.49 2.88 -0.97 -4.72 113.62 107.16 2roh n SER 112 Ca 0.03 0.09 -0.01 0.00 -1.33 0.00 0.00 58.87 57.65 2roh n SER 112 Cb 0.41 -1.49 -0.01 0.00 -0.75 0.00 0.00 64.21 62.37 2roh n SER 112 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2roh n VAL 113 N 7.71 0.11 -4.01 2.46 0.24 -1.26 -5.02 118.33 118.55 2roh n VAL 113 Ca 0.34 -0.05 -0.09 0.00 -2.04 0.00 0.00 64.34 62.51 2roh n VAL 113 Cb 0.42 -0.66 -0.11 0.00 -1.47 0.00 0.00 33.84 32.02 2roh n VAL 113 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2roh s ASP 114 N -3.95 0.36 -0.26 -1.34 2.15 -1.26 -5.16 116.67 107.20 2roh s ASP 114 Ca -0.02 -0.58 -0.24 0.00 0.43 0.00 0.00 52.55 52.14 2roh s ASP 114 Cb 0.01 0.11 0.07 0.00 -0.30 0.00 0.00 42.92 42.80 2roh s ASP 114 CO 0.05 -0.33 0.70 -0.44 -0.17 0.00 0.00 175.17 174.98 2roh s SER 115 N -1.69 -0.75 0.40 -0.34 0.01 -1.26 -5.18 113.70 104.89 2roh s SER 115 Ca -0.12 1.42 0.03 0.00 1.31 0.00 0.00 55.95 58.60 2roh s SER 115 Cb -0.07 1.43 -0.04 0.00 0.21 0.00 0.00 66.02 67.55 2roh s SER 115 CO -0.02 -0.24 0.08 -0.44 0.41 0.00 0.00 173.24 173.02 2roh s SER 116 N 0.49 2.99 0.28 2.44 0.01 -1.26 -5.17 113.70 113.48 2roh s SER 116 Ca -0.01 -1.56 0.09 0.00 1.31 0.00 0.00 55.95 55.78 2roh s SER 116 Cb -0.05 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 2roh s SER 116 CO -0.01 -0.79 0.05 -0.83 0.41 0.00 0.00 173.24 172.08 2roh s GLY 117 N -3.63 1.71 0.05 3.44 0.00 -1.26 -5.13 107.32 102.50 2roh s GLY 117 Ca 0.25 -1.68 -0.28 0.00 0.00 0.00 0.00 44.72 43.01 2roh s GLY 117 CO 0.13 -1.71 1.10 -1.60 0.00 0.00 0.00 173.10 171.02 2roh s ARG 118 N -3.73 0.79 -0.97 2.90 3.52 -1.26 -5.04 118.95 115.16 2roh s ARG 118 Ca 0.33 -0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 55.44 2roh s ARG 118 Cb -0.05 0.28 -0.10 0.00 -1.56 0.00 0.00 34.95 33.52 2roh s ARG 118 CO 0.21 -0.36 3.06 0.44 -0.81 0.00 0.00 175.30 177.84 2roh n ILE 119 N -0.43 3.97 0.22 4.11 -5.35 -1.26 -4.54 119.36 116.09 2roh n ILE 119 Ca -0.07 -2.58 0.09 0.00 -0.27 0.00 0.00 62.75 59.93 2roh n ILE 119 Cb 0.61 -2.24 0.51 0.00 -1.74 0.00 0.00 39.64 36.78 2roh n ILE 119 CO 0.00 0.00 0.00 -0.37 -1.76 0.00 0.00 176.55 174.42 2roh h VAL 120 N 2.53 0.71 -1.33 7.28 -1.51 -2.02 -3.02 116.25 118.89 2roh h VAL 120 Ca 0.59 -1.04 -0.67 0.00 -1.23 0.00 0.00 66.70 64.35 2roh h VAL 120 Cb 0.70 1.66 -0.33 0.00 -2.13 0.00 0.00 31.29 31.20 2roh h VAL 120 CO 1.17 0.24 0.43 0.41 -1.23 0.00 0.00 177.57 178.59 2roh n THR 121 N -3.58 3.27 -0.48 7.19 -1.04 -1.26 -5.34 114.28 113.03 2roh n THR 121 Ca -0.01 -3.84 0.00 0.00 -2.04 0.00 0.00 64.05 58.17 2roh n THR 121 Cb 0.38 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 2roh n THR 121 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32