#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 -2.13 -4.76 1.61 2.88 -1.26 -5.16 113.62 104.80 2roh n SER 2 Ca 0.00 -2.47 -0.31 0.00 -1.33 0.00 0.00 58.87 54.76 2roh n SER 2 Cb 0.00 1.26 0.10 0.00 -0.75 0.00 0.00 64.21 64.82 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 0.46 2.07 0.27 -1.46 0.04 -1.26 -5.07 135.00 130.05 2roh s PRO 3 Ca 0.29 1.11 0.11 0.00 0.04 0.00 0.00 61.00 62.55 2roh s PRO 3 Cb 0.20 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.81 2roh s PRO 3 CO -0.16 -1.76 -0.13 -0.59 0.04 0.00 0.00 177.00 174.41 2roh s PHE 4 N -2.91 2.44 0.40 0.56 -0.71 -1.26 -5.15 117.98 111.35 2roh s PHE 4 Ca 0.62 -0.29 0.05 0.00 -1.04 0.00 0.00 56.93 56.26 2roh s PHE 4 Cb -0.17 -1.08 -0.06 0.00 -1.21 0.00 0.00 43.02 40.50 2roh s PHE 4 CO 0.56 0.67 0.03 0.00 -1.34 0.00 0.00 175.22 175.15 2roh s ALA 5 N -2.38 3.02 0.67 1.99 0.00 -1.26 -5.15 121.76 118.65 2roh s ALA 5 Ca 0.30 -1.88 -0.11 0.00 0.00 0.00 0.00 51.96 50.27 2roh s ALA 5 Cb -0.06 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 2roh s ALA 5 CO 0.16 -0.19 1.05 -0.51 0.00 0.00 0.00 175.76 176.28 2roh s ASP 6 N -3.65 5.66 1.11 0.00 1.11 -1.26 -5.06 116.67 114.58 2roh s ASP 6 Ca 0.31 1.49 -0.16 0.00 0.18 0.00 0.00 52.55 54.37 2roh s ASP 6 Cb 0.08 -2.42 0.24 0.00 1.07 0.00 0.00 42.92 41.89 2roh s ASP 6 CO 0.15 -1.25 1.10 -2.16 1.18 0.00 0.00 175.17 174.19 2roh s PRO 7 N -5.12 -0.47 0.05 8.23 0.04 -1.26 -5.09 135.00 131.37 2roh s PRO 7 Ca 0.57 0.20 -0.16 0.00 0.04 0.00 0.00 61.00 61.66 2roh s PRO 7 Cb -0.13 -1.66 0.03 0.00 0.04 0.00 0.00 34.50 32.78 2roh s PRO 7 CO 0.54 -3.27 0.35 1.21 0.04 0.00 0.00 177.00 175.88 2roh s ASN 8 N -3.68 -0.19 -0.94 6.66 2.47 -1.26 -5.10 114.94 112.90 2roh s ASN 8 Ca 0.68 -0.13 -0.18 0.00 0.42 0.00 0.00 52.86 53.65 2roh s ASN 8 Cb -0.14 0.39 0.14 0.00 -1.45 0.00 0.00 41.25 40.19 2roh s ASN 8 CO 0.57 -0.65 1.13 -0.55 -3.72 0.00 0.00 177.10 173.88 2roh s SER 9 N -2.09 6.66 0.10 -4.21 0.15 -1.26 -4.97 113.70 108.07 2roh s SER 9 Ca -0.04 -2.11 -0.02 0.00 0.70 0.00 0.00 55.95 54.47 2roh s SER 9 Cb -0.01 -2.39 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 2roh s SER 9 CO -0.04 -1.03 0.05 -1.48 1.20 0.00 0.00 173.24 171.94 2roh s LEU 10 N 2.55 1.96 -0.69 3.45 2.34 -1.26 -5.11 118.68 121.92 2roh s LEU 10 Ca 0.33 -1.06 -0.23 0.00 0.06 0.00 0.00 54.13 53.24 2roh s LEU 10 Cb -0.05 0.39 0.07 0.00 -0.56 0.00 0.00 46.19 46.04 2roh s LEU 10 CO -0.09 -0.69 1.00 0.00 -1.06 0.00 0.00 176.35 175.51 2roh s ALA 11 N -3.98 3.10 0.45 1.48 0.00 -1.26 -5.02 121.76 116.54 2roh s ALA 11 Ca 0.15 -1.88 -0.24 0.00 0.00 0.00 0.00 51.96 49.99 2roh s ALA 11 Cb 0.07 -3.91 -0.09 0.00 0.00 0.00 0.00 23.12 19.19 2roh s ALA 11 CO -0.04 -2.84 1.19 1.28 0.00 0.00 0.00 175.76 175.36 2roh n LEU 12 N 7.76 3.87 0.00 0.00 4.32 -1.26 -5.00 117.00 126.68 2roh n LEU 12 Ca -0.01 1.05 -0.23 0.00 -0.02 0.00 0.00 56.01 56.80 2roh n LEU 12 Cb 0.46 -1.47 0.14 0.00 -1.62 0.00 0.00 43.42 40.94 2roh n LEU 12 CO 0.64 -0.94 0.63 0.00 -1.22 0.00 0.00 177.39 176.50 2roh n ALA 13 N -0.51 -0.70 -2.29 -1.18 0.00 -1.26 -5.07 120.51 109.49 2roh n ALA 13 Ca 0.08 -1.54 -0.32 0.00 0.00 0.00 0.00 53.44 51.66 2roh n ALA 13 Cb 0.41 0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 2roh n ALA 13 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2roh s ASN 14 N -4.84 6.65 0.09 0.00 3.84 -1.26 -5.05 114.94 114.37 2roh s ASN 14 Ca 0.61 1.07 -0.30 0.00 0.21 0.00 0.00 52.86 54.44 2roh s ASN 14 Cb -0.02 -2.29 -0.05 0.00 -0.55 0.00 0.00 41.25 38.34 2roh s ASN 14 CO 0.42 -0.17 1.00 0.54 -2.79 0.00 0.00 177.10 176.10 2roh s VAL 15 N -1.97 4.46 0.02 -5.21 0.11 -1.26 -4.97 120.40 111.58 2roh s VAL 15 Ca 0.50 1.96 -0.22 0.00 -2.93 0.00 0.00 61.98 61.29 2roh s VAL 15 Cb -0.11 -4.25 -0.16 0.00 -1.53 0.00 0.00 36.38 30.33 2roh s VAL 15 CO 0.22 0.26 1.32 1.55 -3.33 0.00 0.00 175.10 175.11 2roh h PRO 16 N 5.91 0.24 -2.66 1.54 0.13 -2.08 -3.46 132.00 131.61 2roh h PRO 16 Ca -0.42 -0.13 -0.10 0.00 -0.87 0.00 0.00 66.00 64.48 2roh h PRO 16 Cb 1.21 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.13 2roh h PRO 16 CO 0.73 0.66 -0.15 -0.51 -0.23 0.00 0.00 178.00 178.50 2roh s LEU 17 N -9.14 0.31 0.37 1.56 1.43 -1.26 -5.18 118.68 106.76 2roh s LEU 17 Ca -0.15 0.59 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 2roh s LEU 17 Cb 0.04 1.63 -0.06 0.00 0.03 0.00 0.00 46.19 47.83 2roh s LEU 17 CO 0.73 -0.34 0.05 -0.44 0.23 0.00 0.00 176.35 176.58 2roh s SER 18 N -0.55 2.90 -0.21 2.29 0.01 -1.26 -5.15 113.70 111.73 2roh s SER 18 Ca -0.07 -1.44 -0.04 0.00 1.31 0.00 0.00 55.95 55.71 2roh s SER 18 Cb -0.03 -0.01 0.10 0.00 0.21 0.00 0.00 66.02 66.28 2roh s SER 18 CO 0.03 -0.64 0.24 -0.13 0.41 0.00 0.00 173.24 173.15 2roh s ARG 19 N -3.83 0.21 -0.30 12.44 0.52 -1.26 -5.11 118.95 121.62 2roh s ARG 19 Ca 0.32 0.25 -0.17 0.00 -0.52 0.00 0.00 55.73 55.61 2roh s ARG 19 Cb 0.08 -1.10 0.18 0.00 0.52 0.00 0.00 34.95 34.62 2roh s ARG 19 CO 0.15 -0.65 1.12 -1.54 0.02 0.00 0.00 175.30 174.40 2roh s SER 20 N 2.35 -0.35 -0.27 0.23 1.04 -1.26 -5.17 113.70 110.27 2roh s SER 20 Ca 0.08 0.45 -0.22 0.00 0.48 0.00 0.00 55.95 56.74 2roh s SER 20 Cb -0.16 1.39 0.08 0.00 0.10 0.00 0.00 66.02 67.43 2roh s SER 20 CO -0.12 -0.07 0.73 -0.75 0.98 0.00 0.00 173.24 174.01 2roh s LYS 21 N 2.35 0.77 -0.57 4.02 2.47 -1.26 -5.09 119.74 122.43 2roh s LYS 21 Ca -0.01 1.05 0.07 0.00 -1.56 0.00 0.00 55.97 55.52 2roh s LYS 21 Cb -0.04 0.30 0.25 0.00 -1.46 0.00 0.00 37.83 36.88 2roh s LYS 21 CO -0.16 -0.12 0.69 0.54 0.16 0.00 0.00 175.35 176.46 2roh n ARG 22 N 3.27 2.02 -2.10 4.03 1.74 -1.26 -5.07 116.66 119.29 2roh n ARG 22 Ca -0.16 -4.26 -0.43 0.00 -0.77 0.00 0.00 57.85 52.23 2roh n ARG 22 Cb 0.57 -1.96 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 2roh n ARG 22 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2roh s PRO 23 N -2.14 3.53 -0.43 5.56 0.04 -1.26 -4.90 135.00 135.40 2roh s PRO 23 Ca 0.39 1.41 0.10 0.00 0.04 0.00 0.00 61.00 62.94 2roh s PRO 23 Cb 0.16 -4.11 0.37 0.00 0.04 0.00 0.00 34.50 30.96 2roh s PRO 23 CO -0.04 -1.62 0.85 -0.25 0.04 0.00 0.00 177.00 175.98 2roh n ASP 24 N 9.40 2.25 -3.63 6.66 9.92 -1.26 -5.06 116.55 134.83 2roh n ASP 24 Ca 0.20 -3.22 -0.07 0.00 -0.53 0.00 0.00 54.79 51.17 2roh n ASP 24 Cb 0.46 -0.58 -0.07 0.00 -0.64 0.00 0.00 41.12 40.30 2roh n ASP 24 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2roh s PHE 25 N -2.90 -0.32 0.00 1.24 -0.71 -1.26 -5.13 117.98 108.90 2roh s PHE 25 Ca 0.41 0.74 0.00 0.00 -1.04 0.00 0.00 56.93 57.04 2roh s PHE 25 Cb 0.35 0.42 0.00 0.00 -1.21 0.00 0.00 43.02 42.57 2roh s PHE 25 CO -0.09 -0.18 0.00 0.41 -1.34 0.00 0.00 175.22 174.02 2roh n GLY 26 N 1.72 -1.66 2.68 1.99 0.00 -1.26 -5.13 105.19 103.53 2roh n GLY 26 Ca -0.11 0.89 -0.30 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 0.91 0.32 1.61 -2.07 -1.26 -5.11 119.66 114.06 2roh s GLN 27 Ca 0.00 -1.48 0.03 0.00 -1.82 0.00 0.00 55.36 52.09 2roh s GLN 27 Cb 0.00 -2.02 -0.05 0.00 -1.09 0.00 0.00 33.01 29.85 2roh s GLN 27 CO 0.00 -1.09 0.09 1.03 -1.32 0.00 0.00 175.29 174.00 2roh s ARG 28 N 1.04 1.63 -0.74 9.60 0.52 -1.26 -5.08 118.95 124.67 2roh s ARG 28 Ca 0.14 -1.92 -0.26 0.00 -0.52 0.00 0.00 55.73 53.17 2roh s ARG 28 Cb -0.21 -0.57 0.00 0.00 0.52 0.00 0.00 34.95 34.69 2roh s ARG 28 CO -0.11 -0.30 1.61 1.03 0.02 0.00 0.00 175.30 177.55 2roh s ARG 29 N -3.89 2.93 0.00 3.54 1.81 -1.26 -4.96 118.95 117.12 2roh s ARG 29 Ca 0.34 -0.00 0.07 0.00 -1.72 0.00 0.00 55.73 54.42 2roh s ARG 29 Cb 0.07 -4.50 -0.02 0.00 -0.45 0.00 0.00 34.95 30.05 2roh s ARG 29 CO 0.15 -2.54 -0.21 0.42 -0.68 0.00 0.00 175.30 172.44 2roh s ILE 30 N 7.53 1.66 0.00 1.52 -1.09 -1.26 -5.15 121.20 124.41 2roh s ILE 30 Ca 0.53 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.96 2roh s ILE 30 Cb -0.09 -1.40 0.00 0.00 -1.58 0.00 0.00 42.46 39.39 2roh s ILE 30 CO 0.13 0.38 0.00 0.54 -1.23 0.00 0.00 174.94 174.76 2roh n ARG 31 N 2.32 0.91 -3.44 2.79 1.74 -1.26 -5.12 116.66 114.61 2roh n ARG 31 Ca -0.16 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.69 2roh n ARG 31 Cb 0.53 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.96 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 -1.99 3.43 1.20 5.56 0.52 -1.26 -5.10 118.95 121.30 2roh s ARG 32 Ca 0.00 -0.43 -0.19 0.00 -0.52 0.00 0.00 55.73 54.59 2roh s ARG 32 Cb 0.00 -2.69 0.29 0.00 0.52 0.00 0.00 34.95 33.06 2roh s ARG 32 CO 0.00 0.15 1.11 -1.25 0.02 0.00 0.00 175.30 175.33 2roh s PRO 33 N -4.28 -1.20 0.65 3.54 0.04 -1.26 -5.04 135.00 127.44 2roh s PRO 33 Ca 0.40 -0.06 -0.09 0.00 0.04 0.00 0.00 61.00 61.29 2roh s PRO 33 Cb -0.10 -1.60 0.01 0.00 0.04 0.00 0.00 34.50 32.85 2roh s PRO 33 CO 0.35 -3.70 1.01 -0.06 0.04 0.00 0.00 177.00 174.64 2roh s PHE 34 N -3.00 3.33 0.86 0.56 0.08 -1.26 -5.02 117.98 113.52 2roh s PHE 34 Ca 0.71 0.91 -0.14 0.00 0.12 0.00 0.00 56.93 58.52 2roh s PHE 34 Cb -0.10 -2.90 -0.01 0.00 -0.57 0.00 0.00 43.02 39.44 2roh s PHE 34 CO 0.56 -0.98 0.36 2.41 -0.10 0.00 0.00 175.22 177.47 2roh n THR 35 N -2.81 0.72 -0.31 0.64 -1.04 -1.26 -4.34 114.28 105.88 2roh n THR 35 Ca 0.06 -0.30 0.12 0.00 -2.04 0.00 0.00 64.05 61.88 2roh n THR 35 Cb 0.57 -0.62 0.29 0.00 -1.82 0.00 0.00 70.33 68.76 2roh n THR 35 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 2roh h VAL 36 N -1.02 0.60 -0.11 12.58 3.04 -1.98 0.26 116.25 129.62 2roh h VAL 36 Ca -0.44 -0.19 -0.09 0.00 -1.01 0.00 0.00 66.70 64.96 2roh h VAL 36 Cb 1.31 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 2roh h VAL 36 CO 0.37 0.10 -0.30 0.00 -1.01 0.00 0.00 177.57 176.72 2roh h ALA 37 N 1.65 0.18 -0.02 3.17 0.00 -1.98 -1.08 119.26 121.18 2roh h ALA 37 Ca 0.54 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2roh h ALA 37 Cb 0.92 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2roh h ALA 37 CO -0.44 0.21 -0.05 0.93 0.00 0.00 0.00 179.25 179.90 2roh h GLU 38 N -0.04 -0.07 -0.06 0.00 3.07 -1.53 -1.68 114.58 114.26 2roh h GLU 38 Ca -0.01 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 2roh h GLU 38 Cb 0.92 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 2roh h GLU 38 CO 0.07 -0.05 -0.37 0.28 -1.40 0.00 0.00 179.01 177.54 2roh h VAL 39 N -0.08 1.28 0.21 3.13 2.07 -0.62 -2.28 116.25 119.97 2roh h VAL 39 Ca 0.03 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 2roh h VAL 39 Cb 0.11 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2roh h VAL 39 CO -0.07 0.39 -0.10 -0.08 0.02 0.00 0.00 177.57 177.73 2roh h GLU 40 N 0.10 -0.28 -0.20 1.57 4.81 -0.65 -0.00 114.58 119.94 2roh h GLU 40 Ca 0.01 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2roh h GLU 40 Cb 0.70 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2roh h GLU 40 CO 0.05 -0.13 0.05 -0.07 -0.73 0.00 0.00 179.01 178.18 2roh h LEU 41 N -0.35 0.30 0.00 1.64 3.38 -1.28 -2.22 115.31 116.78 2roh h LEU 41 Ca -0.03 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.75 2roh h LEU 41 Cb 0.27 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2roh h LEU 41 CO 0.05 0.44 -0.22 0.25 0.09 0.00 0.00 178.44 179.05 2roh h LEU 42 N 0.14 -0.64 -0.45 1.67 5.85 -1.36 0.71 115.31 121.23 2roh h LEU 42 Ca 0.06 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.95 2roh h LEU 42 Cb 0.25 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 2roh h LEU 42 CO -0.00 -0.29 0.06 0.58 -0.34 0.00 0.00 178.44 178.46 2roh h VAL 43 N -0.35 0.73 0.00 1.05 2.07 -0.96 0.10 116.25 118.90 2roh h VAL 43 Ca 0.06 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2roh h VAL 43 Cb 0.42 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2roh h VAL 43 CO -0.20 0.03 -0.10 -0.08 0.02 0.00 0.00 177.57 177.25 2roh h GLU 44 N 0.19 0.00 0.00 1.57 4.81 -0.94 0.32 114.58 120.53 2roh h GLU 44 Ca 0.22 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2roh h GLU 44 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2roh h GLU 44 CO -0.31 0.10 -0.00 0.00 -0.73 0.00 0.00 179.01 178.07 2roh h ALA 45 N 1.90 -0.00 0.00 2.92 0.00 0.16 -1.73 119.26 122.50 2roh h ALA 45 Ca -0.00 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 2roh h ALA 45 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2roh h ALA 45 CO 0.01 -0.13 -0.84 -0.24 0.00 0.00 0.00 179.25 178.05 2roh h VAL 46 N -0.73 1.54 -0.25 0.00 3.04 -1.00 -3.24 116.25 115.61 2roh h VAL 46 Ca -0.00 -2.71 -0.17 0.00 -1.01 0.00 0.00 66.70 62.82 2roh h VAL 46 Cb 0.73 2.48 0.00 0.00 -2.01 0.00 0.00 31.29 32.49 2roh h VAL 46 CO 0.00 0.78 -0.50 -0.08 -1.01 0.00 0.00 177.57 176.76 2roh h GLU 47 N 0.05 0.78 -0.84 4.17 4.22 -0.47 0.31 114.58 122.80 2roh h GLU 47 Ca -0.02 -0.51 0.10 0.00 0.08 0.00 0.00 59.36 59.01 2roh h GLU 47 Cb 1.46 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.72 2roh h GLU 47 CO 0.12 1.13 0.55 1.25 -2.18 0.00 0.00 179.01 179.88 2roh h HIS 48 N 0.53 0.87 -0.14 0.92 2.76 -1.35 -0.79 115.15 117.94 2roh h HIS 48 Ca 0.01 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2roh h HIS 48 Cb 1.11 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.79 2roh h HIS 48 CO 0.08 0.41 0.00 1.28 -1.30 0.00 0.00 177.93 178.40 2roh n LEU 49 N -4.52 2.87 0.00 0.26 4.77 -1.18 -5.02 117.00 114.18 2roh n LEU 49 Ca 0.14 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 2roh n LEU 49 Cb 0.31 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2roh n LEU 49 CO 0.32 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 2roh n GLY 50 N 1.17 0.76 1.94 -0.72 0.00 0.11 -0.05 105.19 108.40 2roh n GLY 50 Ca 0.13 0.66 -0.23 0.00 0.00 0.00 0.00 46.02 46.59 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 3.04 0.00 2.61 -2.24 -1.26 -4.64 114.28 111.78 2roh n THR 51 Ca 0.00 -3.00 0.00 0.00 -2.27 0.00 0.00 64.05 58.78 2roh n THR 51 Cb 0.00 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 2roh n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2roh n GLY 52 N -0.97 -1.39 3.07 3.38 0.00 0.92 -5.03 105.19 105.18 2roh n GLY 52 Ca 0.51 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 46.19 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 0.87 0.41 1.61 0.52 -1.26 -5.03 118.95 116.07 2roh s ARG 53 Ca 0.00 -0.49 0.16 0.00 -0.52 0.00 0.00 55.73 54.89 2roh s ARG 53 Cb 0.00 -0.84 1.05 0.00 0.52 0.00 0.00 34.95 35.68 2roh s ARG 53 CO 0.00 0.22 1.86 0.11 0.02 0.00 0.00 175.30 177.52 2roh h TRP 54 N 5.60 0.57 0.00 -0.53 5.08 -1.96 0.37 115.95 125.08 2roh h TRP 54 Ca -0.33 0.02 -0.09 0.00 1.08 0.00 0.00 58.89 59.56 2roh h TRP 54 Cb 1.18 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 27.15 2roh h TRP 54 CO 0.44 0.16 -0.42 0.07 -1.28 0.00 0.00 178.44 177.41 2roh h ARG 55 N 0.44 0.00 -0.15 0.12 0.11 -1.96 -2.16 114.38 110.78 2roh h ARG 55 Ca 0.46 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.39 2roh h ARG 55 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 2roh h ARG 55 CO -0.18 0.42 -0.49 -0.44 0.10 0.00 0.00 179.97 179.39 2roh h ASP 56 N 0.00 0.69 0.43 0.08 3.32 -0.69 -1.84 116.42 118.40 2roh h ASP 56 Ca -0.00 -0.60 -0.10 0.00 0.02 0.00 0.00 57.03 56.34 2roh h ASP 56 Cb 0.82 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2roh h ASP 56 CO 0.05 1.17 -0.48 -0.37 -1.72 0.00 0.00 179.24 177.90 2roh h VAL 57 N 0.24 1.34 -0.06 -1.35 -1.51 -1.31 0.18 116.25 113.78 2roh h VAL 57 Ca -0.02 -1.65 -0.09 0.00 -1.23 0.00 0.00 66.70 63.71 2roh h VAL 57 Cb 1.11 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 32.13 2roh h VAL 57 CO 0.10 0.48 -0.33 0.50 -1.23 0.00 0.00 177.57 177.09 2roh h LYS 58 N 0.05 0.33 -0.06 5.19 1.63 -1.38 -2.70 116.57 119.63 2roh h LYS 58 Ca -0.00 -0.27 -0.07 0.00 -0.85 0.00 0.00 60.65 59.45 2roh h LYS 58 Cb 0.86 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 2roh h LYS 58 CO 0.06 0.92 -0.24 0.35 -3.45 0.00 0.00 179.45 177.09 2roh h PHE 59 N -0.18 0.37 -0.97 1.91 3.04 -1.30 -2.30 116.94 117.52 2roh h PHE 59 Ca -0.02 -0.15 0.13 0.00 3.98 0.00 0.00 57.97 61.90 2roh h PHE 59 Cb 0.99 -0.06 -0.09 0.00 2.56 0.00 0.00 35.95 39.36 2roh h PHE 59 CO 0.13 0.87 0.59 -0.09 -2.02 0.00 0.00 178.31 177.79 2roh h ARG 60 N -0.24 0.88 0.00 1.11 1.12 -0.76 -3.27 114.38 113.22 2roh h ARG 60 Ca -0.01 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.80 2roh h ARG 60 Cb 0.89 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 30.65 2roh h ARG 60 CO 0.05 0.58 0.00 0.00 -3.11 0.00 0.00 179.97 177.49 2roh n ALA 61 N -2.36 -0.06 -3.15 2.80 0.00 -1.02 -4.95 120.51 111.78 2roh n ALA 61 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.67 2roh n ALA 61 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.81 -1.77 -2.13 0.00 0.08 -0.87 -5.00 117.98 107.48 2roh s PHE 62 Ca 0.00 1.29 0.22 0.00 0.12 0.00 0.00 56.93 58.56 2roh s PHE 62 Cb 0.00 0.40 1.11 0.00 -0.57 0.00 0.00 43.02 43.96 2roh s PHE 62 CO 0.00 -1.01 1.74 -0.85 -0.10 0.00 0.00 175.22 175.00 2roh n GLU 63 N 5.42 1.29 -0.06 0.44 -0.00 -1.22 -3.51 120.64 122.99 2roh n GLU 63 Ca 0.03 -0.43 -0.14 0.00 -0.00 0.00 0.00 57.16 56.63 2roh n GLU 63 Cb 0.53 -1.37 -0.14 0.00 -0.00 0.00 0.00 31.44 30.46 2roh n GLU 63 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2roh n ASN 64 N -0.39 1.11 -4.65 -1.84 2.85 -1.26 -4.94 115.26 106.15 2roh n ASN 64 Ca 0.17 0.13 -0.50 0.00 -0.11 0.00 0.00 54.58 54.26 2roh n ASN 64 Cb 0.18 0.01 -0.05 0.00 1.24 0.00 0.00 39.78 41.16 2roh n ASN 64 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 2roh n VAL 65 N -3.09 0.12 0.00 3.44 0.24 -1.23 -4.92 118.33 112.89 2roh n VAL 65 Ca -0.31 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 2roh n VAL 65 Cb 1.07 -1.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 2roh n VAL 65 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2roh n HIS 66 N 3.77 0.00 -0.21 6.34 8.25 -1.26 -4.80 115.22 127.31 2roh n HIS 66 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 2roh n HIS 66 Cb 0.23 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.36 -2.38 -2.32 4.41 -0.00 -1.26 -4.84 115.22 107.47 2roh n HIS 67 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 2roh n HIS 67 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 2roh n HIS 67 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2roh n ARG 68 N -1.75 -4.04 -3.97 1.57 5.12 -1.26 -5.02 116.66 107.31 2roh n ARG 68 Ca 0.00 3.08 -0.30 0.00 -1.93 0.00 0.00 57.85 58.70 2roh n ARG 68 Cb 0.00 -4.30 -0.05 0.00 -1.16 0.00 0.00 32.46 26.95 2roh n ARG 68 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2roh s THR 69 N -0.54 5.08 0.29 0.55 2.01 -1.26 -4.98 115.64 116.79 2roh s THR 69 Ca -0.17 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.28 2roh s THR 69 Cb 0.01 -3.50 0.29 0.00 0.01 0.00 0.00 72.50 69.32 2roh s THR 69 CO 0.45 0.09 1.68 0.10 -0.69 0.00 0.00 174.62 176.25 2roh h TYR 70 N 2.96 0.56 -0.62 4.92 -0.00 -1.96 0.31 116.97 123.15 2roh h TYR 70 Ca -0.46 0.04 -0.09 0.00 0.00 0.00 0.00 58.73 58.22 2roh h TYR 70 Cb 1.17 -0.11 -0.02 0.00 0.00 0.00 0.00 36.73 37.77 2roh h TYR 70 CO 0.60 -0.10 0.02 -0.24 -0.00 0.00 0.00 178.16 178.44 2roh h VAL 71 N 0.34 1.26 0.00 -0.90 3.04 -1.95 -2.49 116.25 115.56 2roh h VAL 71 Ca 0.56 -1.13 -0.05 0.00 -1.01 0.00 0.00 66.70 65.06 2roh h VAL 71 Cb 1.08 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.12 2roh h VAL 71 CO -0.56 0.41 -0.23 0.44 -1.01 0.00 0.00 177.57 176.62 2roh h ASP 72 N 0.98 0.00 0.23 3.17 3.32 -0.89 -1.73 116.42 121.50 2roh h ASP 72 Ca 0.18 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2roh h ASP 72 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2roh h ASP 72 CO 0.03 0.23 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.60 2roh h LEU 73 N 0.00 -0.26 -0.57 1.55 3.38 -0.49 -0.84 115.31 118.09 2roh h LEU 73 Ca -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2roh h LEU 73 Cb 0.58 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2roh h LEU 73 CO 0.03 0.24 0.35 0.11 0.09 0.00 0.00 178.44 179.27 2roh h LYS 74 N -0.92 0.76 -0.61 1.13 1.79 -1.45 -0.75 116.57 116.51 2roh h LYS 74 Ca -0.03 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.31 2roh h LYS 74 Cb 0.49 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 2roh h LYS 74 CO 0.05 0.53 0.11 0.22 -1.08 0.00 0.00 179.45 179.28 2roh h ASP 75 N 0.76 0.94 -0.49 0.86 1.82 -1.41 -2.34 116.42 116.56 2roh h ASP 75 Ca 0.20 -0.20 -0.07 0.00 -0.39 0.00 0.00 57.03 56.57 2roh h ASP 75 Cb -0.04 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 39.70 2roh h ASP 75 CO -0.04 0.93 0.04 0.50 -1.61 0.00 0.00 179.24 179.06 2roh h LYS 76 N 0.93 0.84 -0.06 0.28 1.63 -0.70 -1.76 116.57 117.72 2roh h LYS 76 Ca 0.19 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2roh h LYS 76 Cb 0.39 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2roh h LYS 76 CO 0.01 0.86 0.04 2.35 -3.45 0.00 0.00 179.45 179.25 2roh h TRP 77 N 0.70 0.07 -0.59 1.91 7.01 -0.95 0.26 115.95 124.37 2roh h TRP 77 Ca 0.14 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.15 2roh h TRP 77 Cb 0.45 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.45 2roh h TRP 77 CO 0.03 0.06 0.39 -0.22 -2.79 0.00 0.00 178.44 175.91 2roh h LYS 78 N 0.07 0.76 0.17 2.65 3.64 -1.37 0.46 116.57 122.95 2roh h LYS 78 Ca 0.02 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2roh h LYS 78 Cb 0.01 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2roh h LYS 78 CO -0.00 0.51 -0.08 1.15 -2.27 0.00 0.00 179.45 178.75 2roh h THR 79 N 0.79 0.94 -0.21 1.00 2.02 -1.08 -2.22 112.91 114.15 2roh h THR 79 Ca 0.22 -0.58 0.04 0.00 0.77 0.00 0.00 66.41 66.86 2roh h THR 79 Cb -0.08 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2roh h THR 79 CO -0.05 0.13 0.15 0.17 0.37 0.00 0.00 175.52 176.28 2roh h LEU 80 N -0.51 0.10 -0.17 2.58 8.10 -0.36 -1.85 115.31 123.20 2roh h LEU 80 Ca -0.02 -0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.92 2roh h LEU 80 Cb 0.39 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 40.58 2roh h LEU 80 CO 0.04 0.07 -0.08 0.58 -4.11 0.00 0.00 178.44 174.94 2roh h VAL 81 N 0.12 1.31 -0.75 0.15 2.07 -0.72 0.48 116.25 118.91 2roh h VAL 81 Ca 0.09 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 2roh h VAL 81 Cb 0.22 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 2roh h VAL 81 CO -0.01 0.33 0.38 -0.74 0.02 0.00 0.00 177.57 177.55 2roh h HIS 82 N 0.03 1.06 0.00 1.57 -0.00 -0.77 0.69 115.15 117.74 2roh h HIS 82 Ca 0.04 -0.04 -0.13 0.00 -0.00 0.00 0.00 60.37 60.23 2roh h HIS 82 Cb 0.55 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.61 2roh h HIS 82 CO 0.06 0.77 -0.64 1.15 -0.00 0.00 0.00 177.93 179.27 2roh h THR 83 N 1.04 1.43 -0.00 6.26 2.02 -1.33 -0.24 112.91 122.08 2roh h THR 83 Ca 0.26 -2.23 0.00 0.00 0.77 0.00 0.00 66.41 65.21 2roh h THR 83 Cb 0.09 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 2roh h THR 83 CO -0.04 0.63 -0.19 0.00 0.37 0.00 0.00 175.52 176.29 2roh n ALA 84 N -2.40 2.90 -0.08 6.16 0.00 0.15 -3.86 120.51 123.38 2roh n ALA 84 Ca -0.01 -0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 2roh n ALA 84 Cb 0.65 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.72 2roh n ALA 84 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2roh n SER 85 N -1.08 1.95 -3.67 0.00 3.41 0.19 -4.97 113.62 109.45 2roh n SER 85 Ca 0.11 -0.04 -0.25 0.00 -0.26 0.00 0.00 58.87 58.44 2roh n SER 85 Cb 0.31 0.41 0.21 0.00 -0.26 0.00 0.00 64.21 64.88 2roh n SER 85 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2roh n ILE 86 N -2.71 0.00 -0.98 -1.33 -5.35 -0.12 -4.94 119.36 103.92 2roh n ILE 86 Ca -0.26 -0.12 -0.31 0.00 -0.27 0.00 0.00 62.75 61.79 2roh n ILE 86 Cb 0.91 -0.72 0.13 0.00 -1.74 0.00 0.00 39.64 38.22 2roh n ILE 86 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2roh s ALA 87 N -2.14 1.83 0.22 -1.28 0.00 -1.26 -4.87 121.76 114.27 2roh s ALA 87 Ca 0.52 0.49 0.23 0.00 0.00 0.00 0.00 51.96 53.21 2roh s ALA 87 Cb -0.11 -3.38 0.99 0.00 0.00 0.00 0.00 23.12 20.61 2roh s ALA 87 CO 0.49 -2.29 1.87 -1.00 0.00 0.00 0.00 175.76 174.82 2roh h PRO 88 N -1.44 0.00 0.00 0.00 0.13 -1.96 -2.39 132.00 126.34 2roh h PRO 88 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2roh h PRO 88 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2roh h PRO 88 CO 0.46 0.24 0.00 0.00 -0.23 0.00 0.00 178.00 178.47 2roh n GLN 89 N -3.52 0.78 -0.07 0.86 10.64 -1.26 -3.04 117.38 121.77 2roh n GLN 89 Ca -0.01 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.18 2roh n GLN 89 Cb 0.40 -1.50 0.02 0.00 -0.86 0.00 0.00 30.24 28.30 2roh n GLN 89 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2roh n GLN 90 N -1.10 1.26 -0.34 2.61 10.64 -0.93 -4.71 117.38 124.82 2roh n GLN 90 Ca 0.20 -1.18 0.07 0.00 -1.83 0.00 0.00 57.00 54.27 2roh n GLN 90 Cb 0.15 -0.80 0.22 0.00 -0.86 0.00 0.00 30.24 28.95 2roh n GLN 90 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 2roh n ARG 91 N -0.35 3.01 -1.04 2.61 1.85 -1.02 -4.89 116.66 116.82 2roh n ARG 91 Ca 0.02 -2.46 -0.32 0.00 -1.00 0.00 0.00 57.85 54.09 2roh n ARG 91 Cb 0.45 -1.57 0.13 0.00 -1.05 0.00 0.00 32.46 30.42 2roh n ARG 91 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2roh s ARG 92 N -1.79 1.65 0.00 2.89 6.06 -1.26 -4.70 118.95 121.79 2roh s ARG 92 Ca 0.34 1.50 0.00 0.00 -2.50 0.00 0.00 55.73 55.07 2roh s ARG 92 Cb 0.23 -1.80 0.00 0.00 0.06 0.00 0.00 34.95 33.44 2roh s ARG 92 CO 0.14 -2.15 0.00 0.41 -2.50 0.00 0.00 175.30 171.20 2roh n GLY 93 N -0.13 0.97 3.63 8.12 0.00 -1.26 -5.14 105.19 111.38 2roh n GLY 93 Ca 0.11 0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -2.18 -0.40 4.61 0.00 -1.26 -5.12 121.76 117.41 2roh s ALA 94 Ca 0.00 1.82 -0.28 0.00 0.00 0.00 0.00 51.96 53.50 2roh s ALA 94 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2roh s ALA 94 CO 0.00 -0.57 1.73 -1.25 0.00 0.00 0.00 175.76 175.67 2roh s PRO 95 N -2.13 3.26 0.25 0.00 0.04 -1.26 -4.99 135.00 130.18 2roh s PRO 95 Ca 0.11 1.18 0.11 0.00 0.04 0.00 0.00 61.00 62.44 2roh s PRO 95 Cb -0.01 -4.20 -0.05 0.00 0.04 0.00 0.00 34.50 30.29 2roh s PRO 95 CO -0.03 -1.95 -0.16 0.14 0.04 0.00 0.00 177.00 175.04 2roh s VAL 96 N 6.97 2.72 -0.31 -0.36 -7.23 -1.26 -5.09 120.40 115.85 2roh s VAL 96 Ca 0.74 -2.18 -0.29 0.00 -1.81 0.00 0.00 61.98 58.44 2roh s VAL 96 Cb -0.19 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 2roh s VAL 96 CO 0.31 -0.32 1.67 -2.16 -0.31 0.00 0.00 175.10 174.29 2roh s PRO 97 N -3.35 3.51 0.53 4.82 0.04 -1.26 -4.87 135.00 134.43 2roh s PRO 97 Ca 0.28 1.40 0.25 0.00 0.04 0.00 0.00 61.00 62.97 2roh s PRO 97 Cb -0.06 -4.12 1.39 0.00 0.04 0.00 0.00 34.50 31.75 2roh s PRO 97 CO 0.15 -1.64 2.01 1.96 0.04 0.00 0.00 177.00 179.52 2roh h GLN 98 N 11.86 0.00 -0.76 4.56 4.20 -1.99 -0.28 115.11 132.69 2roh h GLN 98 Ca -0.33 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.53 2roh h GLN 98 Cb 1.15 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.88 2roh h GLN 98 CO 1.03 0.00 0.51 1.05 -0.67 0.00 0.00 178.83 180.75 2roh h GLU 99 N 0.00 0.42 -0.08 1.46 4.11 -1.99 0.32 114.58 118.82 2roh h GLU 99 Ca 0.23 -0.03 -0.24 0.00 0.07 0.00 0.00 59.36 59.40 2roh h GLU 99 Cb 0.91 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.08 2roh h GLU 99 CO -0.00 0.28 -0.88 -0.07 0.07 0.00 0.00 179.01 178.41 2roh h LEU 100 N 0.43 0.86 -0.79 3.06 3.38 -1.44 -2.11 115.31 118.71 2roh h LEU 100 Ca 0.37 -0.62 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 2roh h LEU 100 Cb 0.84 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2roh h LEU 100 CO -0.12 1.41 -0.54 -0.07 0.09 0.00 0.00 178.44 179.21 2roh h LEU 101 N 0.45 0.00 0.00 1.67 -0.00 -1.12 -2.08 115.31 114.22 2roh h LEU 101 Ca -0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.61 2roh h LEU 101 Cb 1.51 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 42.18 2roh h LEU 101 CO 0.17 0.54 -0.74 -0.78 -0.00 0.00 0.00 178.44 177.63 2roh h ASP 102 N 0.00 0.64 -0.47 -0.43 1.82 -0.43 -1.81 116.42 115.74 2roh h ASP 102 Ca -0.01 -0.76 -0.09 0.00 -0.39 0.00 0.00 57.03 55.78 2roh h ASP 102 Cb 1.05 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.84 2roh h ASP 102 CO 0.07 1.32 -0.07 0.08 -1.61 0.00 0.00 179.24 179.03 2roh h ARG 103 N 0.03 0.89 -0.43 0.28 0.11 -1.37 -0.27 114.38 113.62 2roh h ARG 103 Ca -0.09 -0.32 -0.14 0.00 0.10 0.00 0.00 59.98 59.52 2roh h ARG 103 Cb 1.43 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.44 2roh h ARG 103 CO 0.14 0.96 -0.29 -0.39 0.10 0.00 0.00 179.97 180.49 2roh h VAL 104 N 0.73 1.27 0.16 0.08 -1.51 -1.46 -1.50 116.25 114.03 2roh h VAL 104 Ca 0.13 -1.46 -0.01 0.00 -1.23 0.00 0.00 66.70 64.12 2roh h VAL 104 Cb 0.61 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 2roh h VAL 104 CO 0.04 0.50 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.73 2roh h LEU 105 N 0.80 -0.19 -0.75 4.19 3.38 -1.25 -0.93 115.31 120.56 2roh h LEU 105 Ca 0.09 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.83 2roh h LEU 105 Cb 0.88 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 2roh h LEU 105 CO 0.08 0.19 0.46 0.00 0.09 0.00 0.00 178.44 179.26 2roh h ALA 106 N 0.16 1.00 -0.58 1.53 0.00 -1.09 -1.98 119.26 118.30 2roh h ALA 106 Ca -0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2roh h ALA 106 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2roh h ALA 106 CO 0.04 0.22 0.04 0.00 0.00 0.00 0.00 179.25 179.54 2roh h ALA 107 N 1.34 0.97 -0.21 0.00 0.00 -1.26 -0.51 119.26 119.60 2roh h ALA 107 Ca 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2roh h ALA 107 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2roh h ALA 107 CO -0.14 0.63 0.14 0.37 0.00 0.00 0.00 179.25 180.25 2roh h GLN 108 N 0.91 0.27 -0.02 0.00 -0.00 -0.46 0.26 115.11 116.07 2roh h GLN 108 Ca 0.17 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.65 58.69 2roh h GLN 108 Cb 0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.88 2roh h GLN 108 CO 0.02 0.18 -0.55 0.00 0.00 0.00 0.00 178.83 178.48 2roh h ALA 109 N 1.08 1.05 -0.16 3.38 0.00 -1.27 -1.62 119.26 121.72 2roh h ALA 109 Ca 0.08 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 2roh h ALA 109 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2roh h ALA 109 CO -0.02 0.69 -0.42 -0.92 0.00 0.00 0.00 179.25 178.58 2roh h TYR 110 N 0.04 0.73 0.00 0.00 3.20 -0.64 -3.10 116.97 117.20 2roh h TYR 110 Ca -0.00 -0.28 0.00 0.00 3.14 0.00 0.00 58.73 61.58 2roh h TYR 110 Cb 0.99 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.13 2roh h TYR 110 CO 0.00 1.04 0.00 -1.49 -1.64 0.00 0.00 178.16 176.08 2roh h TRP 111 N 0.21 0.00 -1.53 -3.82 -0.00 -0.46 -3.44 115.95 106.91 2roh h TRP 111 Ca -0.01 0.00 -0.63 0.00 -0.00 0.00 0.00 58.89 58.25 2roh h TRP 111 Cb 1.04 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.19 2roh h TRP 111 CO 0.10 0.00 1.42 0.45 -0.00 0.00 0.00 178.44 180.41 2roh n SER 112 N -2.90 2.70 -0.02 -3.49 2.88 -0.61 -4.76 113.62 107.42 2roh n SER 112 Ca 0.03 0.37 -0.02 0.00 -1.33 0.00 0.00 58.87 57.92 2roh n SER 112 Cb 0.40 -1.39 -0.03 0.00 -0.75 0.00 0.00 64.21 62.44 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 7.25 0.26 -4.03 2.46 0.24 -1.26 -5.02 118.33 118.23 2roh n VAL 113 Ca 0.35 -0.17 -0.08 0.00 -2.04 0.00 0.00 64.34 62.40 2roh n VAL 113 Cb 0.32 -0.80 -0.09 0.00 -1.47 0.00 0.00 33.84 31.80 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 -3.44 0.34 0.00 -1.34 2.15 -1.26 -5.11 116.67 108.01 2roh s ASP 114 Ca -0.02 -0.93 0.00 0.00 0.43 0.00 0.00 52.55 52.03 2roh s ASP 114 Cb 0.01 0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.90 2roh s ASP 114 CO 0.17 -0.67 0.00 -0.24 -0.17 0.00 0.00 175.17 174.26 2roh n SER 115 N 0.01 0.00 -4.29 -0.34 2.88 -1.26 -5.11 113.62 105.51 2roh n SER 115 Ca -0.13 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.26 2roh n SER 115 Cb 0.62 -0.17 -0.10 0.00 -0.75 0.00 0.00 64.21 63.81 2roh n SER 115 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2roh s SER 116 N -2.70 1.73 0.00 -3.46 0.15 -1.26 -5.11 113.70 103.05 2roh s SER 116 Ca 0.00 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.50 2roh s SER 116 Cb 0.00 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 2roh s SER 116 CO 0.00 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.59 2roh n GLY 117 N -0.32 -1.93 3.63 9.45 0.00 -1.26 -5.18 105.19 109.59 2roh n GLY 117 Ca -0.07 0.90 -0.23 0.00 0.00 0.00 0.00 46.02 46.62 2roh n GLY 117 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2roh n ARG 118 N 0.00 -0.34 -2.63 1.61 1.85 -1.26 -5.00 116.66 110.89 2roh n ARG 118 Ca 0.00 -2.40 -0.42 0.00 -1.00 0.00 0.00 57.85 54.04 2roh n ARG 118 Cb 0.00 -0.78 -0.03 0.00 -1.05 0.00 0.00 32.46 30.60 2roh n ARG 118 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2roh s ILE 119 N -3.09 3.96 -0.91 8.89 -1.09 -1.26 -4.91 121.20 122.80 2roh s ILE 119 Ca 0.64 -0.31 -0.00 0.00 -2.23 0.00 0.00 60.65 58.75 2roh s ILE 119 Cb -0.03 -4.93 0.30 0.00 -1.58 0.00 0.00 42.46 36.22 2roh s ILE 119 CO 0.43 -1.81 1.32 1.33 -1.23 0.00 0.00 174.94 174.98 2roh n VAL 120 N 6.44 4.55 -0.15 2.92 0.24 -1.26 -4.81 118.33 126.26 2roh n VAL 120 Ca 0.15 -5.75 -0.07 0.00 -2.04 0.00 0.00 64.34 56.64 2roh n VAL 120 Cb 0.49 -1.91 0.09 0.00 -1.47 0.00 0.00 33.84 31.04 2roh n VAL 120 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2roh h THR 121 N 3.08 1.26 -0.02 3.34 2.02 -2.06 -3.56 112.91 116.97 2roh h THR 121 Ca 0.26 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.27 2roh h THR 121 Cb 0.56 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2roh h THR 121 CO 1.13 0.41 0.00 -0.11 0.37 0.00 0.00 175.52 177.32